#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dkk s PRO 14 N 0.00 3.87 0.45 0.58 0.04 -1.26 -5.02 135.00 133.66 2dkk s PRO 14 Ca 0.00 1.63 -0.23 0.00 0.04 0.00 0.00 61.00 62.43 2dkk s PRO 14 Cb 0.00 -2.39 -0.08 0.00 0.04 0.00 0.00 34.50 32.08 2dkk s PRO 14 CO 0.00 -0.42 1.16 -1.25 0.04 0.00 0.00 177.00 176.53 2dkk s PRO 15 N -2.74 3.83 -0.00 0.56 0.04 -1.26 -4.71 135.00 130.72 2dkk s PRO 15 Ca 0.63 1.78 -0.30 0.00 0.04 0.00 0.00 61.00 63.15 2dkk s PRO 15 Cb -0.25 -2.46 -0.07 0.00 0.04 0.00 0.00 34.50 31.77 2dkk s PRO 15 CO 0.30 -0.50 1.62 0.08 0.04 0.00 0.00 177.00 178.55 2dkk s VAL 16 N -1.52 3.40 -0.14 -0.36 1.01 -1.26 -4.43 120.40 117.10 2dkk s VAL 16 Ca 0.62 0.67 -0.06 0.00 0.00 0.00 0.00 61.98 63.21 2dkk s VAL 16 Cb -0.29 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 2dkk s VAL 16 CO 0.35 -0.03 0.09 -0.13 0.00 0.00 0.00 175.10 175.38 2dkk s ARG 17 N 3.32 3.55 0.11 2.72 1.81 0.56 -4.94 118.95 126.08 2dkk s ARG 17 Ca 0.72 -0.25 -0.25 0.00 -1.72 0.00 0.00 55.73 54.24 2dkk s ARG 17 Cb -0.35 -3.14 -0.07 0.00 -0.45 0.00 0.00 34.95 30.94 2dkk s ARG 17 CO 0.30 0.60 0.77 -0.51 -0.68 0.00 0.00 175.30 175.78 2dkk s ASP 18 N -0.53 7.31 -0.59 0.23 1.11 -1.26 -0.05 116.67 122.90 2dkk s ASP 18 Ca 0.11 1.56 0.04 0.00 0.18 0.00 0.00 52.55 54.45 2dkk s ASP 18 Cb -0.12 -2.49 0.15 0.00 1.07 0.00 0.00 42.92 41.54 2dkk s ASP 18 CO 0.02 0.12 0.38 0.86 1.18 0.00 0.00 175.17 177.73 2dkk s TRP 19 N -0.66 2.96 1.11 4.23 -0.11 -0.68 -4.86 118.94 120.93 2dkk s TRP 19 Ca 0.37 -3.05 -0.15 0.00 1.22 0.00 0.00 56.10 54.49 2dkk s TRP 19 Cb -0.22 -2.41 0.18 0.00 -1.50 0.00 0.00 33.47 29.51 2dkk s TRP 19 CO 0.25 -0.66 0.54 -2.30 -4.62 0.00 0.00 176.95 170.16 2dkk n PRO 20 N 2.58 -1.72 -2.47 5.86 -0.02 -1.26 -4.23 135.00 133.74 2dkk n PRO 20 Ca 0.16 -0.47 -0.41 0.00 -2.02 0.00 0.00 63.50 60.75 2dkk n PRO 20 Cb 0.36 -1.95 -0.04 0.00 -0.02 0.00 0.00 33.50 31.85 2dkk n PRO 20 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2dkk s ALA 21 N -2.35 3.39 0.14 3.55 0.00 -1.26 -4.95 121.76 120.28 2dkk s ALA 21 Ca 0.62 0.85 -0.30 0.00 0.00 0.00 0.00 51.96 53.12 2dkk s ALA 21 Cb -0.19 -3.39 -0.08 0.00 0.00 0.00 0.00 23.12 19.47 2dkk s ALA 21 CO 0.65 -0.30 1.28 -1.17 0.00 0.00 0.00 175.76 176.23 2dkk s LEU 22 N -0.02 4.40 -0.58 0.00 0.20 -1.26 -4.98 118.68 116.43 2dkk s LEU 22 Ca 0.52 2.26 0.05 0.00 0.69 0.00 0.00 54.13 57.65 2dkk s LEU 22 Cb -0.30 -3.60 0.17 0.00 -0.43 0.00 0.00 46.19 42.04 2dkk s LEU 22 CO 0.34 -0.52 0.44 -0.67 -0.29 0.00 0.00 176.35 175.65 2dkk n ASP 23 N 3.25 1.59 -3.77 3.68 -0.08 -1.26 -4.72 116.55 115.25 2dkk n ASP 23 Ca 0.08 -2.87 -0.27 0.00 -1.51 0.00 0.00 54.79 50.22 2dkk n ASP 23 Cb 0.44 -0.67 -0.17 0.00 2.34 0.00 0.00 41.12 43.06 2dkk n ASP 23 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 2dkk s LEU 24 N -0.88 1.14 -1.47 -2.67 0.20 -1.26 -5.04 118.68 108.70 2dkk s LEU 24 Ca 0.29 -0.66 -0.12 0.00 0.69 0.00 0.00 54.13 54.34 2dkk s LEU 24 Cb -0.00 -0.62 0.03 0.00 -0.43 0.00 0.00 46.19 45.17 2dkk s LEU 24 CO -0.18 -0.27 2.38 0.47 -0.29 0.00 0.00 176.35 178.47 2dkk n ASP 25 N 5.04 5.67 -3.74 3.68 10.43 -1.26 -4.80 116.55 131.57 2dkk n ASP 25 Ca -0.09 -2.83 0.02 0.00 2.57 0.00 0.00 54.79 54.45 2dkk n ASP 25 Cb 0.48 -1.58 0.01 0.00 1.84 0.00 0.00 41.12 41.86 2dkk n ASP 25 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 2dkk s GLY 26 N 2.34 -0.17 0.00 0.44 0.00 -1.26 -4.87 107.32 103.81 2dkk s GLY 26 Ca 0.52 0.15 0.27 0.00 0.00 0.00 0.00 44.72 45.66 2dkk s GLY 26 CO -0.07 4.12 1.65 -1.55 0.00 0.00 0.00 173.10 177.25 2dkk n PRO 27 N -0.79 1.79 -1.66 2.90 -0.04 -1.26 -4.98 135.00 130.95 2dkk n PRO 27 Ca 0.00 -1.15 -0.40 0.00 -0.04 0.00 0.00 63.50 61.91 2dkk n PRO 27 Cb 0.60 -1.47 0.03 0.00 -0.04 0.00 0.00 33.50 32.61 2dkk n PRO 27 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2dkk n GLU 28 N 0.40 1.45 -1.76 0.54 4.71 -1.26 -4.59 120.64 120.13 2dkk n GLU 28 Ca 0.18 0.53 -0.40 0.00 -0.01 0.00 0.00 57.16 57.46 2dkk n GLU 28 Cb 0.40 -2.28 0.02 0.00 -1.01 0.00 0.00 31.44 28.57 2dkk n GLU 28 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 2dkk n PHE 29 N -0.87 2.71 -2.00 -0.32 7.35 -1.26 -4.88 117.46 118.19 2dkk n PHE 29 Ca 0.10 0.44 -0.43 0.00 -0.76 0.00 0.00 57.45 56.80 2dkk n PHE 29 Cb 0.43 -2.46 -0.03 0.00 0.35 0.00 0.00 39.48 37.77 2dkk n PHE 29 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2dkk s ASP 30 N -0.43 5.91 0.59 -2.13 3.68 -1.26 -4.87 116.67 118.16 2dkk s ASP 30 Ca 0.60 1.32 0.29 0.00 2.13 0.00 0.00 52.55 56.89 2dkk s ASP 30 Cb -0.46 -2.53 1.56 0.00 -1.45 0.00 0.00 42.92 40.05 2dkk s ASP 30 CO 0.58 -1.69 2.00 1.55 0.13 0.00 0.00 175.17 177.74 2dkk h PRO 31 N 12.81 0.00 -0.27 4.34 0.13 -1.99 -0.58 132.00 146.44 2dkk h PRO 31 Ca -0.34 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.60 2dkk h PRO 31 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2dkk h PRO 31 CO 1.03 0.00 -0.58 0.28 -0.23 0.00 0.00 178.00 178.50 2dkk h VAL 32 N 0.00 1.27 -0.15 1.56 2.07 -1.99 -1.86 116.25 117.15 2dkk h VAL 32 Ca 0.15 -1.76 -0.12 0.00 0.82 0.00 0.00 66.70 65.79 2dkk h VAL 32 Cb 0.83 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 32.26 2dkk h VAL 32 CO -0.00 0.57 -0.41 0.25 0.02 0.00 0.00 177.57 178.00 2dkk h LEU 33 N 0.65 0.37 -0.33 2.57 6.46 -1.52 -2.51 115.31 120.99 2dkk h LEU 33 Ca 0.01 -0.16 -0.06 0.00 -0.12 0.00 0.00 57.88 57.55 2dkk h LEU 33 Cb 1.19 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 41.00 2dkk h LEU 33 CO 0.13 0.74 -0.04 0.00 -0.62 0.00 0.00 178.44 178.65 2dkk h ALA 34 N 1.28 0.45 0.00 1.25 0.00 -1.26 -1.09 119.26 119.89 2dkk h ALA 34 Ca 0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2dkk h ALA 34 Cb 0.86 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 2dkk h ALA 34 CO 0.07 0.25 -0.05 0.93 0.00 0.00 0.00 179.25 180.44 2dkk h GLU 35 N 0.40 0.00 0.10 0.00 4.39 -1.16 -2.29 114.58 116.02 2dkk h GLU 35 Ca 0.09 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.57 2dkk h GLU 35 Cb 0.51 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.18 2dkk h GLU 35 CO 0.02 0.05 -0.93 -0.07 -1.16 0.00 0.00 179.01 176.93 2dkk h LEU 36 N 0.00 0.64 -1.99 1.33 4.07 -1.03 -3.17 115.31 115.16 2dkk h LEU 36 Ca -0.00 -0.86 0.06 0.00 0.08 0.00 0.00 57.88 57.17 2dkk h LEU 36 Cb 0.11 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.63 2dkk h LEU 36 CO 0.01 1.43 0.17 0.24 -1.08 0.00 0.00 178.44 179.21 2dkk h MET 37 N -0.07 0.01 -0.02 1.13 2.86 -0.67 -0.39 114.93 117.79 2dkk h MET 37 Ca -0.15 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 2dkk h MET 37 Cb 1.67 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.33 2dkk h MET 37 CO 0.18 0.01 -0.00 2.89 1.06 0.00 0.00 176.91 181.05 2dkk n ARG 38 N -4.47 1.78 0.02 1.72 1.85 -0.96 -3.82 116.66 112.77 2dkk n ARG 38 Ca 0.03 -1.13 0.12 0.00 -1.00 0.00 0.00 57.85 55.87 2dkk n ARG 38 Cb 0.31 -1.48 0.22 0.00 -1.05 0.00 0.00 32.46 30.46 2dkk n ARG 38 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 2dkk n GLU 39 N 0.37 0.12 0.00 2.89 2.13 -0.16 -5.03 120.64 120.96 2dkk n GLU 39 Ca 0.18 0.03 0.00 0.00 0.66 0.00 0.00 57.16 58.03 2dkk n GLU 39 Cb 0.40 -1.57 0.00 0.00 0.27 0.00 0.00 31.44 30.54 2dkk n GLU 39 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2dkk n GLY 40 N 1.44 3.45 0.29 8.31 0.00 -1.23 -4.92 105.19 112.52 2dkk n GLY 40 Ca 0.05 -1.60 0.16 0.00 0.00 0.00 0.00 46.02 44.62 2dkk n GLY 40 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dkk h PRO 41 N 0.00 0.00 -4.11 1.61 0.13 -1.90 -3.42 132.00 124.31 2dkk h PRO 41 Ca 0.00 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.78 2dkk h PRO 41 Cb 0.00 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 30.82 2dkk h PRO 41 CO 0.00 0.05 -0.76 -0.51 -0.23 0.00 0.00 178.00 176.55 2dkk s LEU 42 N -7.21 1.66 0.03 1.56 1.43 -1.26 -2.51 118.68 112.37 2dkk s LEU 42 Ca -0.04 -0.09 -0.03 0.00 -1.03 0.00 0.00 54.13 52.94 2dkk s LEU 42 Cb 0.14 -0.30 -0.02 0.00 0.03 0.00 0.00 46.19 46.04 2dkk s LEU 42 CO 0.54 -0.00 0.04 -0.89 0.23 0.00 0.00 176.35 176.27 2dkk s THR 43 N 0.38 0.13 -0.20 5.49 2.01 -1.00 -4.95 115.64 117.50 2dkk s THR 43 Ca -0.04 -1.09 -0.12 0.00 0.31 0.00 0.00 61.69 60.75 2dkk s THR 43 Cb -0.08 -0.71 -0.05 0.00 0.01 0.00 0.00 72.50 71.67 2dkk s THR 43 CO -0.00 -0.60 0.21 -0.13 -0.69 0.00 0.00 174.62 173.40 2dkk s ARG 44 N -2.26 4.17 0.17 4.92 0.52 -1.26 -0.42 118.95 124.78 2dkk s ARG 44 Ca -0.08 -0.11 0.10 0.00 -0.52 0.00 0.00 55.73 55.12 2dkk s ARG 44 Cb -0.04 -3.47 -0.04 0.00 0.52 0.00 0.00 34.95 31.92 2dkk s ARG 44 CO -0.03 0.18 -0.22 0.14 0.02 0.00 0.00 175.30 175.38 2dkk s VAL 45 N 0.70 2.13 -0.21 3.52 -7.23 -0.02 -0.32 120.40 118.97 2dkk s VAL 45 Ca 0.11 -1.92 0.01 0.00 -1.81 0.00 0.00 61.98 58.37 2dkk s VAL 45 Cb -0.13 -1.97 0.05 0.00 0.56 0.00 0.00 36.38 34.89 2dkk s VAL 45 CO 0.02 -0.14 -0.07 -0.60 -0.31 0.00 0.00 175.10 174.00 2dkk s ARG 46 N -2.55 1.74 0.62 4.82 3.52 0.93 -1.75 118.95 126.28 2dkk s ARG 46 Ca 0.17 -0.86 -0.08 0.00 -0.13 0.00 0.00 55.73 54.83 2dkk s ARG 46 Cb -0.08 -2.43 0.01 0.00 -1.56 0.00 0.00 34.95 30.89 2dkk s ARG 46 CO 0.08 -0.51 0.96 -0.51 -0.81 0.00 0.00 175.30 174.51 2dkk s LEU 47 N 1.43 3.16 0.46 -0.88 1.43 -1.26 -1.68 118.68 121.34 2dkk s LEU 47 Ca -0.03 0.88 0.30 0.00 -1.03 0.00 0.00 54.13 54.25 2dkk s LEU 47 Cb -0.17 -3.72 1.38 0.00 0.03 0.00 0.00 46.19 43.71 2dkk s LEU 47 CO -0.07 -1.11 1.70 -0.65 0.23 0.00 0.00 176.35 176.45 2dkk h PRO 48 N -0.30 0.15 -4.99 1.29 0.11 -1.73 -3.44 132.00 123.09 2dkk h PRO 48 Ca -0.45 -0.01 -0.52 0.00 0.11 0.00 0.00 66.00 65.13 2dkk h PRO 48 Cb 1.25 -0.03 -0.13 0.00 0.11 0.00 0.00 31.00 32.19 2dkk h PRO 48 CO 0.62 0.10 -0.52 -1.01 -0.21 0.00 0.00 178.00 176.98 2dkk s HIS 49 N -5.24 1.75 0.00 0.65 3.76 -0.72 -5.03 115.29 110.46 2dkk s HIS 49 Ca -0.07 -1.37 0.00 0.00 -0.15 0.00 0.00 55.06 53.47 2dkk s HIS 49 Cb 0.27 -1.03 0.00 0.00 1.11 0.00 0.00 32.58 32.92 2dkk s HIS 49 CO 0.82 -0.44 0.00 0.41 -0.85 0.00 0.00 174.74 174.68 2dkk n GLY 50 N -0.81 -1.85 3.39 -2.22 0.00 -1.26 -0.84 105.19 101.60 2dkk n GLY 50 Ca -0.02 -1.70 -0.29 0.00 0.00 0.00 0.00 46.02 44.00 2dkk n GLY 50 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dkk s GLU 51 N 0.00 1.56 5.53 1.61 2.02 -0.10 -4.83 118.70 124.50 2dkk s GLU 51 Ca 0.00 -1.26 0.00 0.00 0.02 0.00 0.00 54.97 53.73 2dkk s GLU 51 Cb 0.00 -1.95 0.00 0.00 0.10 0.00 0.00 34.13 32.28 2dkk s GLU 51 CO 0.00 0.47 0.00 0.41 0.02 0.00 0.00 175.26 176.16 2dkk n GLY 52 N 1.17 2.48 3.33 -1.39 0.00 -1.26 -2.64 105.19 106.88 2dkk n GLY 52 Ca -0.17 -0.46 -0.20 0.00 0.00 0.00 0.00 46.02 45.19 2dkk n GLY 52 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2dkk s TRP 53 N 0.00 1.71 0.05 1.61 1.48 -1.26 -4.66 118.94 117.88 2dkk s TRP 53 Ca 0.00 -1.56 -0.18 0.00 -1.06 0.00 0.00 56.10 53.30 2dkk s TRP 53 Cb 0.00 -0.80 0.04 0.00 -1.16 0.00 0.00 33.47 31.55 2dkk s TRP 53 CO 0.00 -0.73 0.42 0.00 -4.06 0.00 0.00 176.95 172.58 2dkk s ALA 54 N -3.46 -1.03 0.54 2.67 0.00 -0.71 -4.67 121.76 115.10 2dkk s ALA 54 Ca 0.37 0.30 -0.17 0.00 0.00 0.00 0.00 51.96 52.46 2dkk s ALA 54 Cb 0.03 0.39 -0.06 0.00 0.00 0.00 0.00 23.12 23.47 2dkk s ALA 54 CO 0.23 -0.48 1.02 -1.58 0.00 0.00 0.00 175.76 174.95 2dkk s TRP 55 N -2.62 3.19 -0.07 0.00 0.52 -0.62 -0.84 118.94 118.50 2dkk s TRP 55 Ca -0.04 1.51 -0.01 0.00 0.02 0.00 0.00 56.10 57.57 2dkk s TRP 55 Cb -0.01 -2.92 0.03 0.00 -1.15 0.00 0.00 33.47 29.42 2dkk s TRP 55 CO -0.03 -0.74 -0.01 -1.17 0.02 0.00 0.00 176.95 175.02 2dkk s LEU 56 N -4.15 0.78 -0.23 2.99 2.96 0.44 -0.02 118.68 121.45 2dkk s LEU 56 Ca 0.62 -0.10 -0.12 0.00 -0.22 0.00 0.00 54.13 54.31 2dkk s LEU 56 Cb -0.13 -0.45 -0.05 0.00 0.50 0.00 0.00 46.19 46.06 2dkk s LEU 56 CO 0.32 -0.16 0.23 0.00 -1.32 0.00 0.00 176.35 175.41 2dkk s ALA 57 N 1.72 3.60 -0.02 5.97 0.00 -0.10 -2.39 121.76 130.54 2dkk s ALA 57 Ca 0.01 -0.78 0.12 0.00 0.00 0.00 0.00 51.96 51.31 2dkk s ALA 57 Cb -0.13 -2.41 -0.18 0.00 0.00 0.00 0.00 23.12 20.40 2dkk s ALA 57 CO -0.04 -0.22 0.26 2.41 0.00 0.00 0.00 175.76 178.17 2dkk n THR 58 N 4.28 0.00 -2.82 0.00 -1.04 -1.05 -1.90 114.28 111.76 2dkk n THR 58 Ca -0.13 -0.27 -0.41 0.00 -2.04 0.00 0.00 64.05 61.20 2dkk n THR 58 Cb 0.52 0.23 -0.05 0.00 -1.82 0.00 0.00 70.33 69.21 2dkk n THR 58 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2dkk s ARG 59 N -2.82 4.62 0.17 -2.82 3.00 -1.26 -3.30 118.95 116.55 2dkk s ARG 59 Ca -0.04 1.31 -0.20 0.00 0.00 0.00 0.00 55.73 56.80 2dkk s ARG 59 Cb 0.08 -3.37 0.10 0.00 0.00 0.00 0.00 34.95 31.76 2dkk s ARG 59 CO 0.49 0.24 1.61 -0.92 0.00 0.00 0.00 175.30 176.72 2dkk h TYR 60 N 5.61 -0.67 -0.85 -0.53 3.20 -1.89 0.29 116.97 122.13 2dkk h TYR 60 Ca -0.43 0.05 0.02 0.00 3.14 0.00 0.00 58.73 61.51 2dkk h TYR 60 Cb 1.21 0.36 -0.04 0.00 1.54 0.00 0.00 36.73 39.80 2dkk h TYR 60 CO 0.65 -0.33 0.56 -0.44 -1.64 0.00 0.00 178.16 176.96 2dkk h ASP 61 N -0.17 0.95 -0.35 -2.11 3.45 -1.95 -0.65 116.42 115.59 2dkk h ASP 61 Ca 0.20 -0.02 -0.15 0.00 0.43 0.00 0.00 57.03 57.50 2dkk h ASP 61 Cb 0.49 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 39.02 2dkk h ASP 61 CO -0.54 0.68 -0.33 0.44 -1.57 0.00 0.00 179.24 177.92 2dkk h ASP 62 N 1.12 0.93 0.05 6.45 3.45 -1.62 -2.06 116.42 124.76 2dkk h ASP 62 Ca 0.32 -0.40 -0.00 0.00 0.43 0.00 0.00 57.03 57.37 2dkk h ASP 62 Cb -0.09 -0.26 0.00 0.00 -0.56 0.00 0.00 39.33 38.42 2dkk h ASP 62 CO -0.08 1.18 -0.03 0.58 -1.57 0.00 0.00 179.24 179.32 2dkk h VAL 63 N 0.74 1.15 -0.33 -1.35 2.07 -0.19 -1.67 116.25 116.67 2dkk h VAL 63 Ca 0.07 -0.67 0.02 0.00 0.82 0.00 0.00 66.70 66.95 2dkk h VAL 63 Cb 0.91 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 32.25 2dkk h VAL 63 CO 0.08 0.17 0.22 0.50 0.02 0.00 0.00 177.57 178.56 2dkk h LYS 64 N -0.37 0.35 0.30 1.57 3.64 -1.14 -0.62 116.57 120.30 2dkk h LYS 64 Ca -0.01 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2dkk h LYS 64 Cb 0.33 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 2dkk h LYS 64 CO 0.01 0.23 -0.15 0.00 -2.27 0.00 0.00 179.45 177.28 2dkk h ALA 65 N 1.81 -0.44 -0.58 5.00 0.00 -1.23 -3.08 119.26 120.73 2dkk h ALA 65 Ca 0.13 -0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.07 2dkk h ALA 65 Cb 0.09 0.16 -0.10 0.00 0.00 0.00 0.00 17.79 17.95 2dkk h ALA 65 CO -0.03 -0.41 0.02 0.82 0.00 0.00 0.00 179.25 179.65 2dkk h ILE 66 N -1.02 0.54 0.00 0.00 2.04 -1.25 0.74 117.51 118.56 2dkk h ILE 66 Ca -0.04 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.77 2dkk h ILE 66 Cb 0.31 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 2dkk h ILE 66 CO 0.07 0.02 0.08 1.07 0.00 0.00 0.00 178.15 179.39 2dkk n THR 67 N -5.25 1.19 -0.24 -0.27 5.66 -0.25 -1.11 114.28 114.02 2dkk n THR 67 Ca 0.08 0.66 0.00 0.00 -3.05 0.00 0.00 64.05 61.74 2dkk n THR 67 Cb 0.33 -1.66 0.00 0.00 -1.55 0.00 0.00 70.33 67.45 2dkk n THR 67 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2dkk n ASN 68 N -1.95 1.30 -4.66 1.09 2.85 0.23 -4.11 115.26 110.00 2dkk n ASN 68 Ca -0.01 -1.54 -0.41 0.00 -0.11 0.00 0.00 54.58 52.51 2dkk n ASN 68 Cb 0.10 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.07 2dkk n ASN 68 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2dkk s ASP 69 N -0.54 6.86 0.32 1.20 -1.08 0.41 -4.92 116.67 118.93 2dkk s ASP 69 Ca 0.00 1.05 0.23 0.00 -0.52 0.00 0.00 52.55 53.32 2dkk s ASP 69 Cb 0.00 -2.42 1.18 0.00 -1.46 0.00 0.00 42.92 40.22 2dkk s ASP 69 CO 0.00 -0.40 1.71 -0.65 0.52 0.00 0.00 175.17 176.36 2dkk h PRO 70 N 7.46 0.00 0.00 4.34 0.11 -1.91 -1.73 132.00 140.26 2dkk h PRO 70 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2dkk h PRO 70 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2dkk h PRO 70 CO 0.83 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 179.16 2dkk n ARG 71 N -2.31 0.21 -4.34 1.05 1.74 -1.26 -4.67 116.66 107.08 2dkk n ARG 71 Ca -0.01 0.27 -0.34 0.00 -0.77 0.00 0.00 57.85 57.00 2dkk n ARG 71 Cb 0.09 -1.79 -0.12 0.00 -1.02 0.00 0.00 32.46 29.62 2dkk n ARG 71 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2dkk s PHE 72 N -3.16 3.02 0.33 -1.55 0.40 -0.65 -0.46 117.98 115.91 2dkk s PHE 72 Ca 0.09 -0.35 0.10 0.00 -0.60 0.00 0.00 56.93 56.17 2dkk s PHE 72 Cb 0.12 -1.98 -0.06 0.00 0.51 0.00 0.00 43.02 41.61 2dkk s PHE 72 CO 0.51 -0.09 -0.11 0.20 0.70 0.00 0.00 175.22 176.44 2dkk s GLY 73 N 0.50 2.13 -0.15 4.36 0.00 -0.45 -4.82 107.32 108.90 2dkk s GLY 73 Ca -0.03 -2.04 0.10 0.00 0.00 0.00 0.00 44.72 42.75 2dkk s GLY 73 CO 0.03 -2.01 0.01 -2.13 0.00 0.00 0.00 173.10 168.99 2dkk n ARG 74 N -0.77 1.46 -0.36 2.90 3.00 -1.26 0.14 116.66 121.77 2dkk n ARG 74 Ca -0.05 0.01 0.09 0.00 -0.00 0.00 0.00 57.85 57.91 2dkk n ARG 74 Cb 0.63 -1.36 0.27 0.00 0.00 0.00 0.00 32.46 31.99 2dkk n ARG 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2dkk h ALA 75 N 0.56 1.57 0.00 5.13 0.00 -1.85 -1.50 119.26 123.17 2dkk h ALA 75 Ca -0.39 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 2dkk h ALA 75 Cb 1.82 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.45 2dkk h ALA 75 CO 0.01 0.13 -0.16 0.93 0.00 0.00 0.00 179.25 180.15 2dkk h GLU 76 N 0.91 0.00 -0.17 0.00 4.39 -1.89 -2.25 114.58 115.57 2dkk h GLU 76 Ca 0.53 0.00 0.03 0.00 0.34 0.00 0.00 59.36 60.26 2dkk h GLU 76 Cb 0.64 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 2dkk h GLU 76 CO -0.31 0.16 0.12 0.28 -1.16 0.00 0.00 179.01 178.10 2dkk h VAL 77 N 0.00 0.96 0.00 3.13 2.07 -1.54 0.36 116.25 121.23 2dkk h VAL 77 Ca -0.00 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.49 2dkk h VAL 77 Cb 0.29 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 2dkk h VAL 77 CO 0.02 0.01 0.00 0.35 0.02 0.00 0.00 177.57 177.97 2dkk n THR 78 N -4.50 0.81 1.14 2.57 -2.24 -0.85 -2.37 114.28 108.85 2dkk n THR 78 Ca 0.01 0.19 0.13 0.00 -2.27 0.00 0.00 64.05 62.10 2dkk n THR 78 Cb 0.20 -1.11 0.31 0.00 -2.10 0.00 0.00 70.33 67.63 2dkk n THR 78 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2dkk n GLN 79 N -2.20 2.02 -1.73 -0.78 -0.06 0.12 -4.94 117.38 109.81 2dkk n GLN 79 Ca 0.02 -1.50 0.00 0.00 -2.00 0.00 0.00 57.00 53.53 2dkk n GLN 79 Cb 0.24 -1.47 0.00 0.00 -4.06 0.00 0.00 30.24 24.96 2dkk n GLN 79 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 2dkk n ARG 80 N 0.79 0.57 -2.62 3.69 1.74 -1.00 -5.07 116.66 114.75 2dkk n ARG 80 Ca 0.17 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 57.04 2dkk n ARG 80 Cb 0.47 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.92 2dkk n ARG 80 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2dkk n GLN 81 N 0.00 2.60 -1.70 5.56 1.13 -1.26 -5.03 117.38 118.68 2dkk n GLN 81 Ca 0.00 -4.12 -0.43 0.00 -1.94 0.00 0.00 57.00 50.51 2dkk n GLN 81 Cb 0.00 -1.92 -0.01 0.00 0.11 0.00 0.00 30.24 28.41 2dkk n GLN 81 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 2dkk n ILE 82 N -0.29 1.67 -1.60 5.09 5.41 -1.26 -0.92 119.36 127.45 2dkk n ILE 82 Ca 0.29 -0.42 -0.53 0.00 1.00 0.00 0.00 62.75 63.09 2dkk n ILE 82 Cb 0.68 -1.59 -0.06 0.00 -0.71 0.00 0.00 39.64 37.96 2dkk n ILE 82 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 2dkk n THR 83 N 0.86 0.04 -4.24 1.39 5.66 -1.08 -4.43 114.28 112.49 2dkk n THR 83 Ca 0.07 -0.01 -0.16 0.00 -3.05 0.00 0.00 64.05 60.90 2dkk n THR 83 Cb 0.35 -0.86 -0.09 0.00 -1.55 0.00 0.00 70.33 68.18 2dkk n THR 83 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2dkk s ARG 84 N 0.88 1.54 0.01 1.09 1.70 -0.02 -4.81 118.95 119.33 2dkk s ARG 84 Ca 0.86 -1.85 -0.19 0.00 -0.47 0.00 0.00 55.73 54.09 2dkk s ARG 84 Cb -0.97 0.31 -0.28 0.00 -0.57 0.00 0.00 34.95 33.44 2dkk s ARG 84 CO 0.49 -0.55 1.04 1.25 -1.08 0.00 0.00 175.30 176.45 2dkk h LEU 85 N 2.33 0.64-10.06 -1.89 5.85 -1.86 -1.91 115.31 108.41 2dkk h LEU 85 Ca -0.29 -0.84 -0.53 0.00 0.84 0.00 0.00 57.88 57.05 2dkk h LEU 85 Cb 1.24 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 2dkk h LEU 85 CO 0.43 1.41 -0.33 0.00 -0.34 0.00 0.00 178.44 179.62 2dkk s ALA 86 N -2.89 3.82 -0.02 1.25 0.00 -1.26 -4.35 121.76 118.31 2dkk s ALA 86 Ca -0.12 -0.82 0.11 0.00 0.00 0.00 0.00 51.96 51.14 2dkk s ALA 86 Cb 0.03 -2.01 -0.05 0.00 0.00 0.00 0.00 23.12 21.09 2dkk s ALA 86 CO 0.86 0.43 1.37 -1.00 0.00 0.00 0.00 175.76 177.42 2dkk h PRO 87 N 1.99 0.00 -5.74 0.00 0.13 -1.95 -3.42 132.00 123.01 2dkk h PRO 87 Ca -0.48 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.06 2dkk h PRO 87 Cb 1.19 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.23 2dkk h PRO 87 CO 0.68 0.74 0.36 -1.58 -0.23 0.00 0.00 178.00 177.96 2dkk s HIS 88 N -2.86 3.33 -0.29 1.56 5.65 -1.26 -4.89 115.29 116.53 2dkk s HIS 88 Ca 0.02 1.06 -0.03 0.00 0.25 0.00 0.00 55.06 56.37 2dkk s HIS 88 Cb 0.09 -2.97 0.10 0.00 -1.18 0.00 0.00 32.58 28.61 2dkk s HIS 88 CO 0.78 -0.34 0.12 0.12 -0.65 0.00 0.00 174.74 174.77 2dkk s PHE 89 N 2.57 0.79 -0.46 3.88 5.36 -1.26 -5.06 117.98 123.80 2dkk s PHE 89 Ca 0.33 -1.14 0.04 0.00 -0.96 0.00 0.00 56.93 55.20 2dkk s PHE 89 Cb -0.16 -1.16 0.17 0.00 -0.34 0.00 0.00 43.02 41.53 2dkk s PHE 89 CO 0.09 -0.83 0.36 0.21 -1.46 0.00 0.00 175.22 173.59 2dkk s LYS 90 N 1.94 1.15 0.54 10.12 2.20 -1.26 -5.12 119.74 129.30 2dkk s LYS 90 Ca 0.09 -2.30 -0.22 0.00 -0.36 0.00 0.00 55.97 53.17 2dkk s LYS 90 Cb -0.16 -1.73 -0.05 0.00 -1.51 0.00 0.00 37.83 34.37 2dkk s LYS 90 CO -0.31 -1.37 1.37 -1.25 -0.36 0.00 0.00 175.35 173.42 2dkk s PRO 91 N -0.18 3.17 0.08 4.03 0.04 -1.26 -5.03 135.00 135.86 2dkk s PRO 91 Ca 0.32 2.27 0.09 0.00 0.04 0.00 0.00 61.00 63.71 2dkk s PRO 91 Cb 0.02 -2.29 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 2dkk s PRO 91 CO -0.19 -1.18 -0.20 1.03 0.04 0.00 0.00 177.00 176.50 2dkk s ARG 92 N -2.87 1.83 0.44 4.56 0.52 -1.26 -5.11 118.95 117.06 2dkk s ARG 92 Ca 0.71 -1.13 -0.25 0.00 -0.52 0.00 0.00 55.73 54.54 2dkk s ARG 92 Cb -0.41 -2.09 -0.08 0.00 0.52 0.00 0.00 34.95 32.89 2dkk s ARG 92 CO 0.49 0.50 1.30 -2.14 0.02 0.00 0.00 175.30 175.47 2dkk s PRO 93 N -1.78 3.80 0.00 3.54 0.02 -1.26 -2.73 135.00 136.59 2dkk s PRO 93 Ca 0.15 2.14 0.00 0.00 0.02 0.00 0.00 61.00 63.31 2dkk s PRO 93 Cb -0.10 -2.63 0.00 0.00 0.02 0.00 0.00 34.50 31.79 2dkk s PRO 93 CO 0.07 -0.63 0.00 0.41 -0.33 0.00 0.00 177.00 176.52 2dkk n GLY 94 N 0.63 0.69 3.67 0.52 0.00 -1.26 -3.55 105.19 105.89 2dkk n GLY 94 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 2dkk n GLY 94 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dkk s SER 95 N -2.56 6.53 0.22 1.61 0.15 -1.10 -2.78 113.70 115.76 2dkk s SER 95 Ca 0.00 2.55 -0.06 0.00 0.70 0.00 0.00 55.95 59.14 2dkk s SER 95 Cb 0.00 -2.55 0.21 0.00 -1.71 0.00 0.00 66.02 61.97 2dkk s SER 95 CO 0.00 -0.98 1.74 -0.07 1.20 0.00 0.00 173.24 175.13 2dkk h LEU 96 N 9.64 0.96 -0.66 3.45 3.38 -1.87 -2.29 115.31 127.92 2dkk h LEU 96 Ca -0.45 -0.21 0.10 0.00 0.09 0.00 0.00 57.88 57.40 2dkk h LEU 96 Cb 1.21 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 41.64 2dkk h LEU 96 CO 0.94 0.95 0.29 0.00 0.09 0.00 0.00 178.44 180.72 2dkk h ALA 97 N 1.16 0.88 -0.53 1.53 0.00 -1.92 -1.98 119.26 118.40 2dkk h ALA 97 Ca 0.19 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2dkk h ALA 97 Cb 0.40 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2dkk h ALA 97 CO 0.01 -0.13 0.00 1.19 0.00 0.00 0.00 179.25 180.32 2dkk n PHE 98 N -4.93 1.01 -3.30 0.00 3.01 -1.09 -4.87 117.46 107.28 2dkk n PHE 98 Ca 0.10 -0.43 -0.38 0.00 1.01 0.00 0.00 57.45 57.75 2dkk n PHE 98 Cb 0.28 -0.13 -0.06 0.00 -0.01 0.00 0.00 39.48 39.56 2dkk n PHE 98 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2dkk s ALA 99 N -1.57 3.50 0.33 4.37 0.00 -0.75 -3.05 121.76 124.59 2dkk s ALA 99 Ca 0.39 -0.13 0.07 0.00 0.00 0.00 0.00 51.96 52.29 2dkk s ALA 99 Cb 0.23 -2.65 -0.02 0.00 0.00 0.00 0.00 23.12 20.68 2dkk s ALA 99 CO 0.22 0.08 0.34 -0.51 0.00 0.00 0.00 175.76 175.89 2dkk s ASP 100 N 0.27 5.50 0.47 0.00 1.11 -1.26 -4.59 116.67 118.17 2dkk s ASP 100 Ca 0.27 -0.40 -0.20 0.00 0.18 0.00 0.00 52.55 52.40 2dkk s ASP 100 Cb -0.16 -1.07 -0.09 0.00 1.07 0.00 0.00 42.92 42.67 2dkk s ASP 100 CO 0.12 -0.36 1.01 -1.10 1.18 0.00 0.00 175.17 176.03 2dkk s GLN 101 N -4.04 3.91 0.12 8.23 -1.52 -1.26 -0.68 119.66 124.43 2dkk s GLN 101 Ca 0.42 1.28 0.27 0.00 -1.95 0.00 0.00 55.36 55.37 2dkk s GLN 101 Cb -0.07 -2.12 0.93 0.00 -0.22 0.00 0.00 33.01 31.54 2dkk s GLN 101 CO 0.28 -0.33 1.80 -2.30 -0.25 0.00 0.00 175.29 174.49 2dkk n PRO 102 N -0.93 0.16 -0.26 2.91 -0.02 -1.26 -4.85 135.00 130.75 2dkk n PRO 102 Ca 0.09 0.12 -0.00 0.00 -2.02 0.00 0.00 63.50 61.68 2dkk n PRO 102 Cb 0.53 -1.68 0.12 0.00 -0.02 0.00 0.00 33.50 32.45 2dkk n PRO 102 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2dkk h ASP 103 N 0.00 0.65 -0.09 2.55 3.32 -1.75 -1.93 116.42 119.16 2dkk h ASP 103 Ca 0.00 0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.12 2dkk h ASP 103 Cb 0.64 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 40.03 2dkk h ASP 103 CO 0.00 0.41 -0.32 -0.74 -1.72 0.00 0.00 179.24 176.87 2dkk h HIS 104 N 0.78 -0.88 -0.59 4.55 2.76 -1.15 0.33 115.15 120.96 2dkk h HIS 104 Ca 0.33 0.03 0.04 0.00 -2.20 0.00 0.00 60.37 58.57 2dkk h HIS 104 Cb 0.20 0.40 -0.04 0.00 1.55 0.00 0.00 27.41 29.52 2dkk h HIS 104 CO -0.06 -0.40 0.34 -0.97 -1.30 0.00 0.00 177.93 175.54 2dkk h ASN 105 N -0.42 0.53 0.13 3.26 -0.00 -1.78 0.37 115.58 117.68 2dkk h ASN 105 Ca 0.08 0.01 0.02 0.00 -0.00 0.00 0.00 56.30 56.42 2dkk h ASN 105 Cb 0.55 -0.09 -0.03 0.00 -0.00 0.00 0.00 38.32 38.74 2dkk h ASN 105 CO -0.32 0.36 -0.27 -0.09 -0.00 0.00 0.00 177.43 177.11 2dkk h ARG 106 N 0.66 -0.47 0.45 6.67 2.43 -0.49 -1.75 114.38 121.88 2dkk h ARG 106 Ca 0.25 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.43 2dkk h ARG 106 Cb 0.08 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 2dkk h ARG 106 CO -0.13 -0.31 -0.24 -0.07 -1.51 0.00 0.00 179.97 177.71 2dkk h LEU 107 N -0.48 -0.57 -0.82 3.80 3.38 0.05 -3.15 115.31 117.51 2dkk h LEU 107 Ca 0.03 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.11 2dkk h LEU 107 Cb 0.50 0.16 -0.07 0.00 0.09 0.00 0.00 40.66 41.34 2dkk h LEU 107 CO -0.15 -0.39 0.47 -0.09 0.09 0.00 0.00 178.44 178.38 2dkk h ARG 108 N -0.64 0.77 -0.46 1.13 2.43 -0.89 -1.46 114.38 115.27 2dkk h ARG 108 Ca -0.06 -0.05 0.13 0.00 -0.81 0.00 0.00 59.98 59.20 2dkk h ARG 108 Cb 0.50 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 2dkk h ARG 108 CO 0.09 0.51 0.38 0.00 -1.51 0.00 0.00 179.97 179.44 2dkk h ARG 109 N 0.80 0.00 0.00 0.20 3.08 -1.27 0.84 114.38 118.02 2dkk h ARG 109 Ca 0.39 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.39 2dkk h ARG 109 Cb 0.35 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 2dkk h ARG 109 CO -0.24 0.00 -0.27 0.00 -1.07 0.00 0.00 179.97 178.39 2dkk h ALA 110 N 1.68 1.03 0.00 0.04 0.00 -1.30 -3.36 119.26 117.34 2dkk h ALA 110 Ca 0.22 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2dkk h ALA 110 Cb 0.97 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2dkk h ALA 110 CO -0.00 0.34 -0.89 1.33 0.00 0.00 0.00 179.25 180.02 2dkk n VAL 111 N -3.46 0.00 -0.33 0.00 0.24 0.05 -4.29 118.33 110.54 2dkk n VAL 111 Ca -0.00 0.00 0.26 0.00 -2.04 0.00 0.00 64.34 62.56 2dkk n VAL 111 Cb 0.45 -0.20 0.50 0.00 -1.47 0.00 0.00 33.84 33.11 2dkk n VAL 111 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2dkk h ALA 112 N 0.00 1.93 -0.11 2.33 0.00 0.43 -1.26 119.26 122.58 2dkk h ALA 112 Ca 0.00 0.25 0.03 0.00 0.00 0.00 0.00 54.91 55.19 2dkk h ALA 112 Cb 0.43 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 2dkk h ALA 112 CO 0.00 -0.76 0.36 0.78 0.00 0.00 0.00 179.25 179.64 2dkk h GLY 113 N 0.12 0.00 1.36 0.00 0.00 -1.82 -0.88 103.07 101.85 2dkk h GLY 113 Ca 0.77 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.10 2dkk h GLY 113 CO -0.73 0.00 -0.51 0.00 0.00 0.00 0.00 176.54 175.30 2dkk h ALA 114 N 1.38 0.68 -0.33 3.60 0.00 -1.47 -3.36 119.26 119.76 2dkk h ALA 114 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2dkk h ALA 114 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2dkk h ALA 114 CO -0.00 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.44 2dkk n PHE 115 N -2.30 0.44 -1.08 0.00 3.01 -0.34 -4.63 117.46 112.56 2dkk n PHE 115 Ca 0.03 -0.46 -0.29 0.00 1.01 0.00 0.00 57.45 57.74 2dkk n PHE 115 Cb 0.46 -0.02 0.16 0.00 -0.01 0.00 0.00 39.48 40.07 2dkk n PHE 115 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 2dkk s THR 116 N -1.00 2.39 0.17 4.37 -4.23 -1.20 -4.53 115.64 111.62 2dkk s THR 116 Ca 0.23 0.13 -0.14 0.00 -1.18 0.00 0.00 61.69 60.73 2dkk s THR 116 Cb 0.12 -2.53 0.07 0.00 1.34 0.00 0.00 72.50 71.50 2dkk s THR 116 CO 0.16 -0.17 1.75 0.58 -0.54 0.00 0.00 174.62 176.41 2dkk h VAL 117 N -1.80 0.87 -0.48 2.29 2.07 -1.95 -0.82 116.25 116.42 2dkk h VAL 117 Ca -0.52 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 2dkk h VAL 117 Cb 1.30 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 2dkk h VAL 117 CO 0.54 0.06 0.28 1.23 0.02 0.00 0.00 177.57 179.71 2dkk h GLY 118 N 0.35 0.71 1.23 2.17 0.00 -1.97 -1.50 103.07 104.07 2dkk h GLY 118 Ca 0.21 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 47.19 2dkk h GLY 118 CO -0.21 0.29 0.20 0.00 0.00 0.00 0.00 176.54 176.82 2dkk h ALA 119 N 1.13 1.15 -0.56 3.60 0.00 -1.77 -2.20 119.26 120.61 2dkk h ALA 119 Ca 0.17 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2dkk h ALA 119 Cb 0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2dkk h ALA 119 CO -0.03 0.59 0.14 1.15 0.00 0.00 0.00 179.25 181.09 2dkk h THR 120 N 0.94 1.25 -0.09 0.00 2.02 -0.75 -1.43 112.91 114.85 2dkk h THR 120 Ca 0.21 -0.88 -0.09 0.00 0.77 0.00 0.00 66.41 66.41 2dkk h THR 120 Cb 0.26 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 2dkk h THR 120 CO -0.01 0.33 -0.36 0.11 0.37 0.00 0.00 175.52 175.96 2dkk h LYS 121 N 0.80 0.17 -0.14 6.66 1.57 -1.02 -0.29 116.57 124.32 2dkk h LYS 121 Ca 0.18 -0.07 -0.12 0.00 -1.87 0.00 0.00 60.65 58.76 2dkk h LYS 121 Cb 0.34 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 2dkk h LYS 121 CO 0.00 0.52 -0.44 -0.09 -0.57 0.00 0.00 179.45 178.87 2dkk h ARG 122 N 0.15 0.34 0.02 3.15 2.43 -1.19 -3.14 114.38 116.14 2dkk h ARG 122 Ca 0.02 -0.18 -0.22 0.00 -0.81 0.00 0.00 59.98 58.79 2dkk h ARG 122 Cb 0.71 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.24 2dkk h ARG 122 CO 0.05 0.72 -1.02 1.25 -1.51 0.00 0.00 179.97 179.46 2dkk h LEU 123 N 0.28 0.06 -0.83 3.80 5.85 -0.64 -3.39 115.31 120.44 2dkk h LEU 123 Ca 0.02 -0.06 0.17 0.00 0.84 0.00 0.00 57.88 58.85 2dkk h LEU 123 Cb 0.89 -0.02 -0.16 0.00 0.37 0.00 0.00 40.66 41.75 2dkk h LEU 123 CO 0.07 1.04 -0.20 -0.09 -0.34 0.00 0.00 178.44 178.92 2dkk h ARG 124 N 0.01 0.00 -0.80 1.25 2.43 -1.02 -1.35 114.38 114.91 2dkk h ARG 124 Ca -0.03 -0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.20 2dkk h ARG 124 Cb 1.78 -0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 31.27 2dkk h ARG 124 CO 0.14 0.00 0.48 -1.35 -1.51 0.00 0.00 179.97 177.73 2dkk h PRO 125 N 0.00 0.86 -0.47 0.20 0.11 -1.77 0.94 132.00 131.88 2dkk h PRO 125 Ca 0.40 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 66.38 2dkk h PRO 125 Cb 0.62 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.51 2dkk h PRO 125 CO -0.85 0.57 -0.05 -0.09 -0.21 0.00 0.00 178.00 177.37 2dkk h ARG 126 N 0.89 0.80 -0.55 1.05 9.65 -1.54 -1.85 114.38 122.83 2dkk h ARG 126 Ca 0.35 -0.24 -0.11 0.00 -1.10 0.00 0.00 59.98 58.88 2dkk h ARG 126 Cb 0.17 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.65 2dkk h ARG 126 CO -0.17 0.84 -0.08 0.00 2.80 0.00 0.00 179.97 183.35 2dkk h ALA 127 N 1.21 0.75 -0.51 2.80 0.00 -0.54 -0.55 119.26 122.41 2dkk h ALA 127 Ca 0.14 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 2dkk h ALA 127 Cb 0.51 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2dkk h ALA 127 CO 0.03 0.64 0.24 0.37 0.00 0.00 0.00 179.25 180.53 2dkk h GLN 128 N 0.90 0.75 -0.00 0.00 5.75 -0.59 0.60 115.11 122.52 2dkk h GLN 128 Ca 0.15 -0.12 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 2dkk h GLN 128 Cb 0.65 -0.13 -0.00 0.00 1.07 0.00 0.00 27.48 29.06 2dkk h GLN 128 CO 0.04 0.63 0.00 1.49 -2.65 0.00 0.00 178.83 178.34 2dkk h GLU 129 N 0.69 0.00 -0.66 1.69 4.57 -1.13 0.22 114.58 119.96 2dkk h GLU 129 Ca 0.18 -0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.41 2dkk h GLU 129 Cb 0.14 -0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.67 2dkk h GLU 129 CO -0.02 0.02 0.37 0.82 -1.18 0.00 0.00 179.01 179.02 2dkk h ILE 130 N -0.02 0.98 -0.44 2.32 2.04 -0.82 -0.63 117.51 120.94 2dkk h ILE 130 Ca 0.00 -0.24 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 2dkk h ILE 130 Cb 0.02 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.31 2dkk h ILE 130 CO -0.00 0.13 0.14 0.25 0.00 0.00 0.00 178.15 178.67 2dkk h LEU 131 N 0.69 0.64 -1.43 1.44 5.85 -0.55 -2.45 115.31 119.50 2dkk h LEU 131 Ca 0.29 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 2dkk h LEU 131 Cb 0.16 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 2dkk h LEU 131 CO -0.17 0.67 0.14 0.44 -0.34 0.00 0.00 178.44 179.18 2dkk h ASP 132 N 0.57 0.47 -0.54 1.25 3.32 0.01 -0.79 116.42 120.71 2dkk h ASP 132 Ca 0.14 -0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.09 2dkk h ASP 132 Cb 0.25 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 2dkk h ASP 132 CO -0.01 0.44 0.11 1.23 -1.72 0.00 0.00 179.24 179.30 2dkk h GLY 133 N 0.69 0.94 1.06 2.75 0.00 -0.86 0.28 103.07 107.93 2dkk h GLY 133 Ca 0.13 -0.61 -0.09 0.00 0.00 0.00 0.00 47.33 46.76 2dkk h GLY 133 CO -0.01 0.56 0.00 1.41 0.00 0.00 0.00 176.54 178.51 2dkk h LEU 134 N 0.77 1.01 -0.79 3.11 3.38 -0.91 -2.60 115.31 119.26 2dkk h LEU 134 Ca 0.17 -0.30 -0.13 0.00 0.09 0.00 0.00 57.88 57.71 2dkk h LEU 134 Cb 0.37 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2dkk h LEU 134 CO 0.01 1.07 -0.52 0.58 0.09 0.00 0.00 178.44 179.66 2dkk h VAL 135 N 0.92 1.36 -0.17 1.22 2.07 -0.95 -3.01 116.25 117.69 2dkk h VAL 135 Ca 0.17 -1.79 0.02 0.00 0.82 0.00 0.00 66.70 65.91 2dkk h VAL 135 Cb 0.55 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 32.18 2dkk h VAL 135 CO 0.03 0.53 0.05 0.44 0.02 0.00 0.00 177.57 178.64 2dkk h ASP 136 N 0.16 0.05 -0.32 0.57 3.32 -0.16 -1.86 116.42 118.19 2dkk h ASP 136 Ca 0.00 0.02 0.06 0.00 0.02 0.00 0.00 57.03 57.13 2dkk h ASP 136 Cb 0.98 0.02 -0.06 0.00 0.22 0.00 0.00 39.33 40.49 2dkk h ASP 136 CO 0.08 0.05 -0.06 1.23 -1.72 0.00 0.00 179.24 178.83 2dkk h GLY 137 N 0.13 0.25 1.73 2.75 0.00 -1.34 0.61 103.07 107.19 2dkk h GLY 137 Ca 0.07 0.09 -0.11 0.00 0.00 0.00 0.00 47.33 47.37 2dkk h GLY 137 CO -0.08 -0.11 -0.42 0.16 0.00 0.00 0.00 176.54 176.09 2dkk h ILE 138 N 0.02 1.31 -0.24 2.60 3.07 -1.44 -1.41 117.51 121.42 2dkk h ILE 138 Ca 0.15 -1.57 -0.11 0.00 1.55 0.00 0.00 64.86 64.88 2dkk h ILE 138 Cb 0.23 1.68 -0.01 0.00 -0.27 0.00 0.00 36.82 38.45 2dkk h ILE 138 CO -0.31 0.47 -0.32 -0.07 -1.05 0.00 0.00 178.15 176.88 2dkk h LEU 139 N 0.25 0.52 -0.23 0.16 3.38 -0.76 -1.65 115.31 116.98 2dkk h LEU 139 Ca 0.02 -0.20 -0.14 0.00 0.09 0.00 0.00 57.88 57.64 2dkk h LEU 139 Cb 0.86 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2dkk h LEU 139 CO 0.07 0.82 -0.42 0.00 0.09 0.00 0.00 178.44 179.00 2dkk h ALA 140 N 1.22 0.36 0.00 1.53 0.00 -0.67 -3.15 119.26 118.55 2dkk h ALA 140 Ca 0.05 -0.46 -0.08 0.00 0.00 0.00 0.00 54.91 54.43 2dkk h ALA 140 Cb 0.77 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2dkk h ALA 140 CO 0.06 0.48 -0.36 0.93 0.00 0.00 0.00 179.25 180.36 2dkk h GLU 141 N 0.41 0.00 0.00 0.00 5.08 -1.18 -3.49 114.58 115.39 2dkk h GLU 141 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2dkk h GLU 141 Cb 1.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.27 2dkk h GLU 141 CO 0.09 0.36 0.00 0.41 -1.00 0.00 0.00 179.01 178.88 2dkk n GLY 142 N 0.11 2.50 0.00 -3.84 0.00 -0.63 -4.99 105.19 98.35 2dkk n GLY 142 Ca -0.01 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.31 2dkk n GLY 142 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2dkk n PRO 143 N 1.26 0.00 -1.29 1.61 -0.02 -1.26 -4.66 135.00 130.64 2dkk n PRO 143 Ca 0.00 0.00 -0.57 0.00 -2.02 0.00 0.00 63.50 60.91 2dkk n PRO 143 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.38 2dkk n PRO 143 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2dkk n PRO 144 N -0.10 0.00 -3.66 0.52 -0.02 -1.26 -4.56 135.00 125.92 2dkk n PRO 144 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.37 2dkk n PRO 144 Cb 0.00 -1.36 -0.08 0.00 -0.02 0.00 0.00 33.50 32.04 2dkk n PRO 144 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2dkk s ALA 145 N 4.47 -1.57 -0.70 3.55 0.00 -0.53 -5.00 121.76 121.97 2dkk s ALA 145 Ca 1.04 1.91 -0.23 0.00 0.00 0.00 0.00 51.96 54.68 2dkk s ALA 145 Cb -1.36 -1.12 0.07 0.00 0.00 0.00 0.00 23.12 20.71 2dkk s ALA 145 CO 0.65 -0.31 1.03 0.34 0.00 0.00 0.00 175.76 177.46 2dkk s ASP 146 N 0.82 6.22 0.56 0.00 2.15 -1.26 -0.28 116.67 124.87 2dkk s ASP 146 Ca -0.04 -1.04 0.25 0.00 0.43 0.00 0.00 52.55 52.15 2dkk s ASP 146 Cb -0.05 -2.44 1.51 0.00 -0.30 0.00 0.00 42.92 41.65 2dkk s ASP 146 CO -0.06 -1.45 2.10 -0.07 -0.17 0.00 0.00 175.17 175.51 2dkk h LEU 147 N 11.49 0.00 0.22 -1.34 3.38 -1.79 0.10 115.31 127.38 2dkk h LEU 147 Ca -0.24 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 2dkk h LEU 147 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2dkk h LEU 147 CO 1.19 0.00 -0.11 0.58 0.09 0.00 0.00 178.44 180.20 2dkk h VAL 148 N 0.00 0.84 -0.39 1.22 2.07 -1.91 0.26 116.25 118.33 2dkk h VAL 148 Ca 0.10 -0.78 -0.02 0.00 0.82 0.00 0.00 66.70 66.82 2dkk h VAL 148 Cb 0.47 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 2dkk h VAL 148 CO -0.00 0.16 0.15 -0.08 0.02 0.00 0.00 177.57 177.82 2dkk h GLU 149 N -0.72 0.58 0.00 1.57 4.81 -1.75 0.24 114.58 119.31 2dkk h GLU 149 Ca -0.03 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 2dkk h GLU 149 Cb 0.49 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.78 2dkk h GLU 149 CO 0.05 0.56 -0.51 0.54 -0.73 0.00 0.00 179.01 178.92 2dkk n ARG 150 N -4.65 0.16 0.10 1.92 5.12 0.30 -4.45 116.66 115.16 2dkk n ARG 150 Ca -0.00 0.05 0.00 0.00 -1.93 0.00 0.00 57.85 55.97 2dkk n ARG 150 Cb 0.15 -1.60 0.00 0.00 -1.16 0.00 0.00 32.46 29.84 2dkk n ARG 150 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2dkk n VAL 151 N -1.84 0.00 0.03 1.55 0.31 0.29 -4.82 118.33 113.86 2dkk n VAL 151 Ca 0.04 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.39 2dkk n VAL 151 Cb 0.39 -0.49 0.37 0.00 -0.91 0.00 0.00 33.84 33.21 2dkk n VAL 151 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2dkk h LEU 152 N 0.00 0.41 0.16 7.52 3.38 -0.54 -1.53 115.31 124.72 2dkk h LEU 152 Ca 0.00 -0.05 -0.29 0.00 0.09 0.00 0.00 57.88 57.62 2dkk h LEU 152 Cb 0.00 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 40.65 2dkk h LEU 152 CO 0.00 0.43 -1.42 -0.08 0.09 0.00 0.00 178.44 177.46 2dkk h GLU 153 N 0.45 0.34 0.01 1.13 4.22 -1.17 -3.37 114.58 116.18 2dkk h GLU 153 Ca 0.11 -0.58 -0.21 0.00 0.08 0.00 0.00 59.36 58.76 2dkk h GLU 153 Cb 0.20 0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 2dkk h GLU 153 CO -0.00 1.28 -0.98 -1.00 -2.18 0.00 0.00 179.01 176.12 2dkk h PRO 154 N -0.14 0.02 0.66 0.92 0.13 -1.76 -3.29 132.00 128.55 2dkk h PRO 154 Ca -0.28 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 64.78 2dkk h PRO 154 Cb 1.90 0.01 0.00 0.00 0.13 0.00 0.00 31.00 33.04 2dkk h PRO 154 CO 0.14 0.98 -0.33 0.35 -0.23 0.00 0.00 178.00 178.91 2dkk h PHE 155 N 0.01 -0.86 -0.82 1.56 3.57 -1.48 -1.28 116.94 117.63 2dkk h PHE 155 Ca -0.02 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.52 2dkk h PHE 155 Cb 1.72 0.29 -0.06 0.00 2.79 0.00 0.00 35.95 40.69 2dkk h PHE 155 CO 0.00 -0.53 0.50 -1.35 -2.23 0.00 0.00 178.31 174.71 2dkk h PRO 156 N -0.91 0.90 -0.63 6.41 0.11 -1.74 -1.06 132.00 135.09 2dkk h PRO 156 Ca -0.09 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.95 2dkk h PRO 156 Cb 0.70 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 31.58 2dkk h PRO 156 CO 0.14 0.60 0.31 0.82 -0.21 0.00 0.00 178.00 179.65 2dkk h ILE 157 N 0.93 1.20 -0.27 4.15 2.04 -1.59 0.18 117.51 124.14 2dkk h ILE 157 Ca 0.35 -0.56 -0.14 0.00 1.00 0.00 0.00 64.86 65.52 2dkk h ILE 157 Cb 0.15 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 36.62 2dkk h ILE 157 CO -0.17 0.24 -0.36 0.00 0.00 0.00 0.00 178.15 177.86 2dkk h ALA 158 N 1.46 0.41 -0.08 1.87 0.00 -0.48 -1.40 119.26 121.04 2dkk h ALA 158 Ca 0.22 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 2dkk h ALA 158 Cb 0.08 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2dkk h ALA 158 CO -0.03 0.48 -0.02 0.28 0.00 0.00 0.00 179.25 179.96 2dkk h VAL 159 N 0.46 1.29 -0.92 0.00 2.07 -0.84 -2.02 116.25 116.28 2dkk h VAL 159 Ca 0.03 -0.91 -0.00 0.00 0.82 0.00 0.00 66.70 66.64 2dkk h VAL 159 Cb 0.94 1.74 -0.04 0.00 -1.52 0.00 0.00 31.29 32.41 2dkk h VAL 159 CO 0.08 0.25 0.57 0.58 0.02 0.00 0.00 177.57 179.08 2dkk h VAL 160 N -0.18 1.25 -0.56 2.57 2.07 -0.69 -0.48 116.25 120.24 2dkk h VAL 160 Ca 0.02 -0.53 -0.04 0.00 0.82 0.00 0.00 66.70 66.97 2dkk h VAL 160 Cb 0.41 -0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.09 2dkk h VAL 160 CO 0.01 0.26 0.18 0.28 0.02 0.00 0.00 177.57 178.31 2dkk h SER 161 N 1.27 0.76 0.15 0.57 0.02 -1.20 0.62 113.55 115.74 2dkk h SER 161 Ca 0.33 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 61.16 2dkk h SER 161 Cb -0.08 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.27 2dkk h SER 161 CO -0.06 0.72 -0.07 -0.33 -1.14 0.00 0.00 176.83 175.94 2dkk h GLU 162 N 0.81 -0.20 -0.57 3.45 4.39 -0.47 0.43 114.58 122.42 2dkk h GLU 162 Ca 0.19 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.89 2dkk h GLU 162 Cb 0.23 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.89 2dkk h GLU 162 CO -0.01 -0.12 0.34 0.28 -1.16 0.00 0.00 179.01 178.34 2dkk h VAL 163 N -0.22 1.18 -0.58 3.13 2.07 -0.39 -2.96 116.25 118.48 2dkk h VAL 163 Ca -0.02 -0.41 -0.10 0.00 0.82 0.00 0.00 66.70 66.99 2dkk h VAL 163 Cb 0.17 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 2dkk h VAL 163 CO 0.03 0.18 -0.04 0.24 0.02 0.00 0.00 177.57 178.01 2dkk h MET 164 N 0.77 1.05 0.00 1.57 2.86 0.50 -3.00 114.93 118.69 2dkk h MET 164 Ca 0.20 -0.35 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 2dkk h MET 164 Cb -0.00 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.57 2dkk h MET 164 CO -0.04 1.05 0.00 0.41 1.06 0.00 0.00 176.91 179.39 2dkk n GLY 165 N -0.38 1.41 3.67 8.32 0.00 0.14 -0.81 105.19 117.54 2dkk n GLY 165 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 2dkk n GLY 165 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dkk s VAL 166 N -2.00 4.55 0.00 1.61 1.01 -0.73 -4.92 120.40 119.92 2dkk s VAL 166 Ca 0.00 1.86 0.00 0.00 0.00 0.00 0.00 61.98 63.84 2dkk s VAL 166 Cb 0.00 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 32.18 2dkk s VAL 166 CO 0.00 -0.12 0.00 -2.65 0.00 0.00 0.00 175.10 172.33 2dkk n PRO 167 N 6.08 0.00 0.00 2.72 -0.02 -1.26 -4.75 135.00 137.77 2dkk n PRO 167 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 2dkk n PRO 167 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.94 2dkk n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2dkk n ALA 168 N -2.37 0.19 0.46 3.55 0.00 -1.26 -4.82 120.51 116.25 2dkk n ALA 168 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 2dkk n ALA 168 Cb 0.00 0.00 0.30 0.00 0.00 0.00 0.00 19.45 19.75 2dkk n ALA 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dkk h ALA 169 N 0.00 0.97 0.00 0.00 0.00 -2.04 -3.00 119.26 115.19 2dkk h ALA 169 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2dkk h ALA 169 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2dkk h ALA 169 CO 0.00 0.00 -0.21 -0.44 0.00 0.00 0.00 179.25 178.60 2dkk h ASP 170 N 0.00 0.00 -0.30 0.00 3.45 -1.92 -3.35 116.42 114.31 2dkk h ASP 170 Ca 0.00 0.00 0.07 0.00 0.43 0.00 0.00 57.03 57.53 2dkk h ASP 170 Cb 0.84 0.00 -0.08 0.00 -0.56 0.00 0.00 39.33 39.54 2dkk h ASP 170 CO 0.00 0.15 -0.23 0.03 -1.57 0.00 0.00 179.24 177.62 2dkk h ARG 171 N 0.00 -0.21 -0.07 3.56 2.47 -1.82 0.15 114.38 118.46 2dkk h ARG 171 Ca -0.00 0.01 -0.12 0.00 -1.26 0.00 0.00 59.98 58.61 2dkk h ARG 171 Cb 1.12 0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 29.47 2dkk h ARG 171 CO 0.02 -0.14 -0.51 1.49 0.56 0.00 0.00 179.97 181.39 2dkk h GLU 172 N -0.21 0.18 -0.31 0.04 4.22 -1.78 -0.07 114.58 116.65 2dkk h GLU 172 Ca 0.16 -0.10 -0.05 0.00 0.08 0.00 0.00 59.36 59.44 2dkk h GLU 172 Cb 0.45 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 2dkk h GLU 172 CO -0.42 0.65 -0.00 0.00 -2.18 0.00 0.00 179.01 177.06 2dkk h ARG 173 N 0.14 0.55 -0.28 1.92 3.08 -1.48 -1.55 114.38 116.76 2dkk h ARG 173 Ca 0.00 -0.18 -0.19 0.00 0.07 0.00 0.00 59.98 59.69 2dkk h ARG 173 Cb 0.95 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.95 2dkk h ARG 173 CO 0.08 0.69 -0.56 0.28 -1.07 0.00 0.00 179.97 179.39 2dkk h VAL 174 N 0.35 1.27 -0.02 2.04 2.07 -0.61 -2.19 116.25 119.16 2dkk h VAL 174 Ca 0.09 -1.74 -0.00 0.00 0.82 0.00 0.00 66.70 65.87 2dkk h VAL 174 Cb 0.44 1.64 -0.00 0.00 -1.52 0.00 0.00 31.29 31.85 2dkk h VAL 174 CO 0.02 0.57 0.01 -0.74 0.02 0.00 0.00 177.57 177.44 2dkk h HIS 175 N 0.66 0.03 -0.12 1.57 -0.00 -1.00 0.29 115.15 116.58 2dkk h HIS 175 Ca 0.01 -0.00 0.02 0.00 -0.00 0.00 0.00 60.37 60.40 2dkk h HIS 175 Cb 1.17 -0.01 -0.02 0.00 -0.00 0.00 0.00 27.41 28.55 2dkk h HIS 175 CO 0.07 0.19 -0.00 1.03 -0.00 0.00 0.00 177.93 179.22 2dkk h SER 176 N -0.14 -0.05 0.56 3.26 0.87 -1.32 -1.10 113.55 115.63 2dkk h SER 176 Ca 0.01 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.57 2dkk h SER 176 Cb 0.17 0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.18 2dkk h SER 176 CO -0.00 -0.01 -0.33 -0.50 -0.53 0.00 0.00 176.83 175.46 2dkk h TRP 177 N 0.04 -0.87 -1.32 2.24 6.55 -1.30 -2.14 115.95 119.15 2dkk h TRP 177 Ca 0.06 -0.01 0.40 0.00 0.95 0.00 0.00 58.89 60.29 2dkk h TRP 177 Cb 0.07 0.31 -0.10 0.00 -0.86 0.00 0.00 29.16 28.57 2dkk h TRP 177 CO -0.14 -0.51 0.88 1.15 -1.05 0.00 0.00 178.44 178.77 2dkk h THR 178 N -0.84 0.23 0.00 1.49 2.02 -0.11 0.69 112.91 116.40 2dkk h THR 178 Ca -0.07 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.07 2dkk h THR 178 Cb 0.68 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 2dkk h THR 178 CO 0.08 0.02 0.00 -1.14 0.37 0.00 0.00 175.52 174.86 2dkk n ARG 179 N -4.52 0.00 0.00 6.66 3.00 -0.44 -0.33 116.66 121.03 2dkk n ARG 179 Ca 0.34 0.00 0.04 0.00 -0.00 0.00 0.00 57.85 58.23 2dkk n ARG 179 Cb 1.36 -1.50 0.21 0.00 0.00 0.00 0.00 32.46 32.53 2dkk n ARG 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2dkk n GLN 180 N -0.85 0.76 0.16 -0.14 10.64 0.24 -0.87 117.38 127.32 2dkk n GLN 180 Ca 0.00 0.00 0.13 0.00 -1.83 0.00 0.00 57.00 55.30 2dkk n GLN 180 Cb 0.00 -1.15 0.39 0.00 -0.86 0.00 0.00 30.24 28.62 2dkk n GLN 180 CO 0.00 0.00 0.00 0.82 -1.83 0.00 0.00 177.06 176.05 2dkk h ILE 181 N 0.00 0.00 -3.26 -0.39 2.04 -0.92 -3.47 117.51 111.50 2dkk h ILE 181 Ca 0.00 -0.58 0.18 0.00 1.00 0.00 0.00 64.86 65.46 2dkk h ILE 181 Cb 0.00 1.54 -0.10 0.00 -0.74 0.00 0.00 36.82 37.51 2dkk h ILE 181 CO 0.00 0.00 -1.04 -0.38 0.00 0.00 0.00 178.15 176.73 2dkk n ILE 182 N -2.57 -1.61 -2.92 -0.67 5.41 -0.05 -4.61 119.36 112.34 2dkk n ILE 182 Ca 0.04 1.06 -0.42 0.00 1.00 0.00 0.00 62.75 64.43 2dkk n ILE 182 Cb 0.41 -1.68 0.01 0.00 -0.71 0.00 0.00 39.64 37.67 2dkk n ILE 182 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 2dkk n SER 183 N -3.45 6.63 0.00 4.38 3.41 -1.26 -4.80 113.62 118.53 2dkk n SER 183 Ca -0.05 -3.48 0.00 0.00 -0.26 0.00 0.00 58.87 55.07 2dkk n SER 183 Cb 0.55 -1.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.26 2dkk n SER 183 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2dkk n THR 184 N 0.97 0.00 -3.48 6.66 -1.04 -1.26 -4.73 114.28 111.39 2dkk n THR 184 Ca 0.31 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 62.25 2dkk n THR 184 Cb 0.31 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.75 2dkk n THR 184 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2dkk s SER 185 N -4.00 -0.25 0.00 8.00 0.15 -1.26 -4.94 113.70 111.40 2dkk s SER 185 Ca 0.00 0.73 0.09 0.00 0.70 0.00 0.00 55.95 57.47 2dkk s SER 185 Cb 0.00 1.42 0.17 0.00 -1.71 0.00 0.00 66.02 65.89 2dkk s SER 185 CO 0.00 -0.26 1.01 0.61 1.20 0.00 0.00 173.24 175.80 2dkk n GLY 186 N 5.39 1.19 0.00 9.45 0.00 -1.26 -5.02 105.19 114.93 2dkk n GLY 186 Ca -0.06 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.67 2dkk n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dkk n GLY 187 N 0.43 -0.71 0.00 -0.02 0.00 -1.26 -4.94 105.19 98.70 2dkk n GLY 187 Ca 0.08 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.61 2dkk n GLY 187 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dkk n ALA 188 N 0.00 0.00 0.16 4.61 0.00 -1.26 -4.85 120.51 119.17 2dkk n ALA 188 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 2dkk n ALA 188 Cb 0.00 0.00 0.25 0.00 0.00 0.00 0.00 19.45 19.70 2dkk n ALA 188 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2dkk h GLU 189 N 0.00 0.00 0.00 0.00 -0.00 -1.99 -1.06 114.58 111.53 2dkk h GLU 189 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 59.36 59.31 2dkk h GLU 189 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 28.74 2dkk h GLU 189 CO 0.00 0.51 -0.23 0.00 -0.00 0.00 0.00 179.01 179.29 2dkk h ALA 190 N 1.49 1.05 -0.05 1.06 0.00 -1.92 0.80 119.26 121.69 2dkk h ALA 190 Ca -0.01 -0.21 -0.23 0.00 0.00 0.00 0.00 54.91 54.46 2dkk h ALA 190 Cb 0.95 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.72 2dkk h ALA 190 CO 0.07 0.29 -0.88 0.00 0.00 0.00 0.00 179.25 178.72 2dkk h ALA 191 N 1.77 0.17 0.00 0.00 0.00 -1.57 -1.64 119.26 117.99 2dkk h ALA 191 Ca -0.00 -0.64 -0.05 0.00 0.00 0.00 0.00 54.91 54.21 2dkk h ALA 191 Cb 0.72 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2dkk h ALA 191 CO 0.03 0.62 -0.25 0.93 0.00 0.00 0.00 179.25 180.58 2dkk h GLU 192 N 0.35 0.00 0.07 0.00 4.39 -1.01 -2.43 114.58 115.95 2dkk h GLU 192 Ca -0.10 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 2dkk h GLU 192 Cb 1.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.19 2dkk h GLU 192 CO 0.18 0.25 -0.03 -0.09 -1.16 0.00 0.00 179.01 178.15 2dkk h ARG 193 N 0.00 -0.09 -0.90 2.33 9.65 -0.80 -2.39 114.38 122.19 2dkk h ARG 193 Ca -0.00 0.01 0.05 0.00 -1.10 0.00 0.00 59.98 58.93 2dkk h ARG 193 Cb 1.01 0.02 -0.06 0.00 -1.39 0.00 0.00 29.97 29.55 2dkk h ARG 193 CO 0.03 0.44 0.57 0.00 2.80 0.00 0.00 179.97 183.81 2dkk h ALA 194 N 0.15 1.21 0.00 2.80 0.00 -1.27 -1.04 119.26 121.10 2dkk h ALA 194 Ca -0.01 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 2dkk h ALA 194 Cb 0.57 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2dkk h ALA 194 CO 0.02 0.38 -0.50 1.57 0.00 0.00 0.00 179.25 180.72 2dkk h LYS 195 N 1.08 0.00 0.00 0.00 2.10 -1.48 0.13 116.57 118.40 2dkk h LYS 195 Ca 0.37 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 59.00 2dkk h LYS 195 Cb 0.08 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.41 2dkk h LYS 195 CO -0.14 0.50 -0.11 -0.09 -2.00 0.00 0.00 179.45 177.60 2dkk h ARG 196 N 0.00 0.00 0.00 0.07 2.43 -0.66 0.25 114.38 116.47 2dkk h ARG 196 Ca -0.00 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.10 2dkk h ARG 196 Cb 0.89 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.43 2dkk h ARG 196 CO 0.06 0.11 -0.40 0.78 -1.51 0.00 0.00 179.97 179.02 2dkk h GLY 197 N 0.57 0.00 0.88 2.80 0.00 -0.69 -3.19 103.07 103.45 2dkk h GLY 197 Ca -0.00 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.35 2dkk h GLY 197 CO 0.01 0.00 0.17 -2.00 0.00 0.00 0.00 176.54 174.72 2dkk h LEU 198 N -1.00 0.26 -1.17 3.11 5.85 -0.61 -1.66 115.31 120.09 2dkk h LEU 198 Ca -0.09 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.57 2dkk h LEU 198 Cb 0.81 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 2dkk h LEU 198 CO -0.06 0.19 -0.13 1.88 -0.34 0.00 0.00 178.44 179.98 2dkk h TYR 199 N 0.35 0.45 0.00 1.25 0.99 -0.70 0.17 116.97 119.48 2dkk h TYR 199 Ca 0.13 -0.07 -0.11 0.00 2.00 0.00 0.00 58.73 60.68 2dkk h TYR 199 Cb 0.03 -0.12 -0.02 0.00 1.00 0.00 0.00 36.73 37.62 2dkk h TYR 199 CO -0.09 0.54 -0.53 0.78 -0.00 0.00 0.00 178.16 178.87 2dkk h GLY 200 N 0.89 0.00 1.13 3.88 0.00 -1.48 -1.22 103.07 106.27 2dkk h GLY 200 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.21 2dkk h GLY 200 CO 0.03 0.00 -0.62 -0.25 0.00 0.00 0.00 176.54 175.70 2dkk h TRP 201 N 0.00 1.06 -0.08 5.60 7.01 -0.27 -2.21 115.95 127.06 2dkk h TRP 201 Ca -0.01 -0.42 -0.00 0.00 2.11 0.00 0.00 58.89 60.57 2dkk h TRP 201 Cb 0.95 -0.18 -0.00 0.00 -2.10 0.00 0.00 29.16 27.82 2dkk h TRP 201 CO 0.00 1.24 0.03 0.82 -2.79 0.00 0.00 178.44 177.75 2dkk h ILE 202 N 0.57 1.13 -0.31 2.65 2.04 -0.48 0.26 117.51 123.37 2dkk h ILE 202 Ca -0.01 -0.39 0.04 0.00 1.00 0.00 0.00 64.86 65.49 2dkk h ILE 202 Cb 1.24 1.26 -0.04 0.00 -0.74 0.00 0.00 36.82 38.54 2dkk h ILE 202 CO 0.13 0.11 0.08 0.74 0.00 0.00 0.00 178.15 179.21 2dkk h THR 203 N -0.02 0.87 -0.14 -0.27 2.02 -1.21 0.19 112.91 114.33 2dkk h THR 203 Ca 0.03 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 2dkk h THR 203 Cb 0.15 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 2dkk h THR 203 CO -0.00 0.04 0.01 -0.08 0.37 0.00 0.00 175.52 175.85 2dkk h GLU 204 N 0.19 0.25 -0.87 6.66 4.57 -1.31 0.15 114.58 124.22 2dkk h GLU 204 Ca 0.15 -0.08 0.11 0.00 -1.18 0.00 0.00 59.36 58.36 2dkk h GLU 204 Cb 0.15 -0.02 -0.08 0.00 -0.16 0.00 0.00 28.75 28.63 2dkk h GLU 204 CO -0.18 0.47 0.50 1.15 -1.18 0.00 0.00 179.01 179.77 2dkk h THR 205 N -0.00 0.88 -0.19 0.32 2.02 -0.16 -0.93 112.91 114.85 2dkk h THR 205 Ca 0.04 -0.28 -0.19 0.00 0.77 0.00 0.00 66.41 66.75 2dkk h THR 205 Cb 0.35 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.76 2dkk h THR 205 CO 0.01 0.15 -0.64 0.58 0.37 0.00 0.00 175.52 175.99 2dkk h VAL 206 N 0.81 1.30 -0.22 3.16 2.07 -0.40 -3.12 116.25 119.85 2dkk h VAL 206 Ca 0.43 -1.87 0.05 0.00 0.82 0.00 0.00 66.70 66.12 2dkk h VAL 206 Cb 0.44 1.83 -0.04 0.00 -1.52 0.00 0.00 31.29 31.99 2dkk h VAL 206 CO -0.27 0.59 -0.07 0.03 0.02 0.00 0.00 177.57 177.87 2dkk h ARG 207 N 0.51 -0.02 -7.36 1.57 3.08 0.43 -3.28 114.38 109.31 2dkk h ARG 207 Ca -0.01 0.00 -0.43 0.00 0.07 0.00 0.00 59.98 59.61 2dkk h ARG 207 Cb 1.23 0.00 0.18 0.00 0.08 0.00 0.00 29.97 31.46 2dkk h ARG 207 CO 0.13 -0.01 0.15 0.00 -1.07 0.00 0.00 179.97 179.16 2dkk s ALA 208 N -6.20 0.66 0.00 0.04 0.00 -0.47 -2.61 121.76 113.18 2dkk s ALA 208 Ca -0.14 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.14 2dkk s ALA 208 Cb 0.11 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 20.24 2dkk s ALA 208 CO 0.69 -3.33 0.00 0.54 0.00 0.00 0.00 175.76 173.66 2dkk n ARG 209 N -4.56 0.00 -1.17 0.00 1.74 -1.26 -4.80 116.66 106.61 2dkk n ARG 209 Ca 0.09 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.78 2dkk n ARG 209 Cb 0.58 -3.09 -0.08 0.00 -1.02 0.00 0.00 32.46 28.86 2dkk n ARG 209 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2dkk n ALA 210 N 0.66 2.20 0.00 7.54 0.00 -1.07 -0.52 120.51 129.32 2dkk n ALA 210 Ca 0.00 -3.03 0.00 0.00 0.00 0.00 0.00 53.44 50.41 2dkk n ALA 210 Cb 0.00 -3.62 0.00 0.00 0.00 0.00 0.00 19.45 15.83 2dkk n ALA 210 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dkk n GLY 211 N 4.98 -0.49 3.93 0.00 0.00 -1.25 -4.72 105.19 107.64 2dkk n GLY 211 Ca 0.48 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.23 2dkk n GLY 211 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dkk s SER 212 N 0.00 4.62 0.56 1.61 1.04 0.32 -5.00 113.70 116.85 2dkk s SER 212 Ca 0.00 0.48 0.05 0.00 0.48 0.00 0.00 55.95 56.96 2dkk s SER 212 Cb 0.00 -1.05 0.04 0.00 0.10 0.00 0.00 66.02 65.12 2dkk s SER 212 CO 0.00 -1.75 0.40 -1.61 0.98 0.00 0.00 173.24 171.26 2dkk s GLU 213 N -5.35 2.24 0.00 4.02 0.41 -1.26 -4.62 118.70 114.13 2dkk s GLU 213 Ca 0.62 -2.08 0.00 0.00 -0.41 0.00 0.00 54.97 53.10 2dkk s GLU 213 Cb -0.10 -2.06 0.00 0.00 -1.78 0.00 0.00 34.13 30.19 2dkk s GLU 213 CO 0.46 -0.66 0.00 0.41 -0.49 0.00 0.00 175.26 174.98 2dkk n GLY 214 N -1.78 3.48 0.00 -1.39 0.00 -1.26 -4.82 105.19 99.42 2dkk n GLY 214 Ca -0.03 -1.56 0.08 0.00 0.00 0.00 0.00 46.02 44.51 2dkk n GLY 214 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dkk n GLY 215 N -0.04 -0.93 3.52 -0.02 0.00 -1.26 -3.91 105.19 102.55 2dkk n GLY 215 Ca 0.00 -0.06 -0.53 0.00 0.00 0.00 0.00 46.02 45.43 2dkk n GLY 215 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2dkk n ASP 216 N -1.41 0.36 0.18 1.61 2.03 -1.26 -4.56 116.55 113.50 2dkk n ASP 216 Ca 0.05 1.14 -0.14 0.00 0.52 0.00 0.00 54.79 56.36 2dkk n ASP 216 Cb 0.16 -1.05 -0.08 0.00 -0.72 0.00 0.00 41.12 39.42 2dkk n ASP 216 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 2dkk h VAL 217 N 2.52 0.72 -0.83 5.18 2.07 -1.34 0.47 116.25 125.03 2dkk h VAL 217 Ca -0.43 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 2dkk h VAL 217 Cb 1.39 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 31.97 2dkk h VAL 217 CO 0.66 0.05 0.43 1.88 0.02 0.00 0.00 177.57 180.61 2dkk h TYR 218 N -0.54 1.16 0.88 1.57 0.99 -1.27 0.30 116.97 120.06 2dkk h TYR 218 Ca -0.04 -0.04 -0.04 0.00 2.00 0.00 0.00 58.73 60.60 2dkk h TYR 218 Cb 0.40 -0.37 0.01 0.00 1.00 0.00 0.00 36.73 37.77 2dkk h TYR 218 CO -0.02 0.82 -0.42 0.77 -0.00 0.00 0.00 178.16 179.31 2dkk h SER 219 N 1.17 -1.00 -0.84 3.88 0.02 -1.74 0.89 113.55 115.93 2dkk h SER 219 Ca 0.29 0.03 0.14 0.00 -0.84 0.00 0.00 61.79 61.40 2dkk h SER 219 Cb 0.07 0.26 -0.09 0.00 0.14 0.00 0.00 62.40 62.78 2dkk h SER 219 CO -0.04 -0.67 0.44 0.24 -1.14 0.00 0.00 176.83 175.66 2dkk h MET 220 N -1.25 0.64 -0.17 3.45 2.86 0.15 0.83 114.93 121.44 2dkk h MET 220 Ca -0.12 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.47 2dkk h MET 220 Cb 0.91 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.42 2dkk h MET 220 CO 0.20 0.42 0.06 1.25 1.06 0.00 0.00 176.91 179.90 2dkk h LEU 221 N 0.66 0.24 -1.40 1.22 6.46 -0.26 0.58 115.31 122.81 2dkk h LEU 221 Ca 0.45 -0.18 -0.02 0.00 -0.12 0.00 0.00 57.88 58.01 2dkk h LEU 221 Cb 0.59 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.44 2dkk h LEU 221 CO -0.34 0.36 0.20 1.23 -0.62 0.00 0.00 178.44 179.27 2dkk h GLY 222 N 0.10 0.65 1.06 3.75 0.00 0.13 -0.84 103.07 107.92 2dkk h GLY 222 Ca 0.05 -0.29 -0.14 0.00 0.00 0.00 0.00 47.33 46.96 2dkk h GLY 222 CO -0.00 0.28 -0.30 0.00 0.00 0.00 0.00 176.54 176.52 2dkk h ALA 223 N 1.61 0.53 0.00 3.60 0.00 -0.55 -2.22 119.26 122.24 2dkk h ALA 223 Ca 0.15 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 2dkk h ALA 223 Cb 0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2dkk h ALA 223 CO -0.02 0.57 -0.20 0.00 0.00 0.00 0.00 179.25 179.59 2dkk h ALA 224 N 0.77 1.60 -0.01 0.00 0.00 -0.09 -2.56 119.26 118.96 2dkk h ALA 224 Ca 0.07 -0.19 -0.26 0.00 0.00 0.00 0.00 54.91 54.53 2dkk h ALA 224 Cb 0.88 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.66 2dkk h ALA 224 CO 0.08 0.26 -1.02 0.28 0.00 0.00 0.00 179.25 178.84 2dkk h VAL 225 N 0.00 1.28 0.00 0.00 2.07 -0.95 -1.05 116.25 117.61 2dkk h VAL 225 Ca -0.00 -2.24 0.00 0.00 0.82 0.00 0.00 66.70 65.28 2dkk h VAL 225 Cb 0.38 2.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 2dkk h VAL 225 CO 0.03 0.69 0.00 1.23 0.02 0.00 0.00 177.57 179.54 2dkk h GLY 226 N 0.47 0.00 -2.02 2.17 0.00 -0.99 -0.27 103.07 102.43 2dkk h GLY 226 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.21 2dkk h GLY 226 CO 0.20 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.28 2dkk n ARG 227 N -2.74 2.39 -3.16 4.80 1.74 -1.10 -4.97 116.66 113.62 2dkk n ARG 227 Ca -0.01 -2.18 -0.22 0.00 -0.77 0.00 0.00 57.85 54.66 2dkk n ARG 227 Cb 0.13 -1.44 0.05 0.00 -1.02 0.00 0.00 32.46 30.17 2dkk n ARG 227 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2dkk n GLY 228 N 1.23 -0.50 0.13 -0.13 0.00 -0.11 -4.90 105.19 100.92 2dkk n GLY 228 Ca 0.17 0.15 -0.20 0.00 0.00 0.00 0.00 46.02 46.13 2dkk n GLY 228 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dkk n GLU 229 N -4.23 0.69 -3.12 1.61 1.02 -0.41 -4.54 120.64 111.66 2dkk n GLU 229 Ca -0.08 0.23 -0.21 0.00 -0.02 0.00 0.00 57.16 57.07 2dkk n GLU 229 Cb 0.60 -1.61 -0.04 0.00 -0.02 0.00 0.00 31.44 30.38 2dkk n GLU 229 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 2dkk n VAL 230 N -3.49 0.87 -0.78 2.62 0.24 -1.16 -4.93 118.33 111.70 2dkk n VAL 230 Ca -0.40 -4.87 -0.27 0.00 -2.04 0.00 0.00 64.34 56.76 2dkk n VAL 230 Cb 0.99 -0.79 0.02 0.00 -1.47 0.00 0.00 33.84 32.59 2dkk n VAL 230 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2dkk n GLY 231 N 0.22 -3.07 3.29 7.63 0.00 -1.26 -4.45 105.19 107.56 2dkk n GLY 231 Ca 0.27 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 2dkk n GLY 231 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2dkk n GLU 232 N 1.59 -2.09 0.00 1.61 0.00 -1.26 -2.60 120.64 117.89 2dkk n GLU 232 Ca 0.01 -0.59 0.00 0.00 0.00 0.00 0.00 57.16 56.57 2dkk n GLU 232 Cb 0.39 -1.80 0.00 0.00 0.00 0.00 0.00 31.44 30.03 2dkk n GLU 232 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 2dkk n THR 233 N -4.66 0.00 0.98 6.31 -1.04 -1.26 -4.65 114.28 109.96 2dkk n THR 233 Ca 0.02 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.13 2dkk n THR 233 Cb 0.59 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 69.02 2dkk n THR 233 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2dkk n GLU 234 N -1.07 0.55 0.30 -2.82 1.02 -1.07 -4.43 120.64 113.12 2dkk n GLU 234 Ca 0.00 -0.38 -0.16 0.00 -0.02 0.00 0.00 57.16 56.60 2dkk n GLU 234 Cb 0.00 -1.48 -0.08 0.00 -0.02 0.00 0.00 31.44 29.86 2dkk n GLU 234 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2dkk h ALA 235 N 3.29 -0.75 0.21 0.62 0.00 -1.81 -2.28 119.26 118.54 2dkk h ALA 235 Ca 0.00 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.74 2dkk h ALA 235 Cb 0.59 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 2dkk h ALA 235 CO 0.00 -0.87 -0.28 0.28 0.00 0.00 0.00 179.25 178.37 2dkk h VAL 236 N -0.85 0.39 -0.40 0.00 2.07 -1.86 -0.23 116.25 115.38 2dkk h VAL 236 Ca -0.08 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.47 2dkk h VAL 236 Cb 0.61 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 2dkk h VAL 236 CO 0.13 0.00 0.27 1.23 0.02 0.00 0.00 177.57 179.22 2dkk h GLY 237 N -0.55 0.50 0.40 2.17 0.00 -1.64 0.56 103.07 104.50 2dkk h GLY 237 Ca 0.01 -0.17 -0.08 0.00 0.00 0.00 0.00 47.33 47.09 2dkk h GLY 237 CO -0.10 0.16 -0.31 -2.00 0.00 0.00 0.00 176.54 174.28 2dkk h LEU 238 N 0.45 0.22 0.00 3.11 6.46 -1.16 -3.29 115.31 121.09 2dkk h LEU 238 Ca 0.16 -0.87 -0.27 0.00 -0.12 0.00 0.00 57.88 56.78 2dkk h LEU 238 Cb 0.10 -0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 39.91 2dkk h LEU 238 CO -0.04 1.07 -1.53 0.00 -0.62 0.00 0.00 178.44 177.32 2dkk h ALA 239 N 0.16 0.67 -0.23 1.25 0.00 -0.85 -3.39 119.26 116.86 2dkk h ALA 239 Ca -0.05 -1.33 0.04 0.00 0.00 0.00 0.00 54.91 53.58 2dkk h ALA 239 Cb 1.14 0.33 -0.07 0.00 0.00 0.00 0.00 17.79 19.19 2dkk h ALA 239 CO 0.06 1.50 -0.50 0.78 0.00 0.00 0.00 179.25 181.09 2dkk h GLY 240 N 3.35 -0.89 -0.11 0.00 0.00 -0.06 -1.02 103.07 104.34 2dkk h GLY 240 Ca -0.22 0.63 0.26 0.00 0.00 0.00 0.00 47.33 48.00 2dkk h GLY 240 CO 0.09 -0.19 0.67 -2.55 0.00 0.00 0.00 176.54 174.56 2dkk h PRO 241 N -0.49 0.38 0.14 4.80 0.11 -1.78 -1.28 132.00 133.88 2dkk h PRO 241 Ca 0.07 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.15 2dkk h PRO 241 Cb 0.64 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.67 2dkk h PRO 241 CO -0.48 0.25 -0.07 -0.07 -0.21 0.00 0.00 178.00 177.43 2dkk h LEU 242 N 0.39 -0.15 -2.02 2.35 3.38 -1.43 0.18 115.31 118.00 2dkk h LEU 242 Ca 0.59 -0.33 0.09 0.00 0.09 0.00 0.00 57.88 58.31 2dkk h LEU 242 Cb 1.49 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.27 2dkk h LEU 242 CO -0.28 0.28 0.23 -0.61 0.09 0.00 0.00 178.44 178.14 2dkk h GLN 243 N -0.63 0.00 0.00 1.13 5.75 -0.22 -1.56 115.11 119.59 2dkk h GLN 243 Ca -0.02 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 2dkk h GLN 243 Cb 0.48 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.03 2dkk h GLN 243 CO 0.03 0.00 -1.34 -0.89 -2.65 0.00 0.00 178.83 173.98 2dkk n ILE 244 N -4.37 0.00 -0.08 2.39 2.08 -0.68 -4.56 119.36 114.13 2dkk n ILE 244 Ca 0.04 -0.18 0.26 0.00 0.56 0.00 0.00 62.75 63.44 2dkk n ILE 244 Cb 0.39 0.65 0.68 0.00 -0.75 0.00 0.00 39.64 40.62 2dkk n ILE 244 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 2dkk h GLY 245 N 4.61 0.00 1.85 7.39 0.00 0.43 -2.35 103.07 115.02 2dkk h GLY 245 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 2dkk h GLY 245 CO 0.00 0.00 0.06 -1.33 0.00 0.00 0.00 176.54 175.27 2dkk h GLY 246 N 0.00 0.00 1.39 4.60 0.00 -1.80 -2.34 103.07 104.91 2dkk h GLY 246 Ca 0.35 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.77 2dkk h GLY 246 CO -0.00 0.00 0.23 -2.09 0.00 0.00 0.00 176.54 174.67 2dkk h GLU 247 N 0.00 0.00 -0.53 4.80 4.81 -1.80 -0.66 114.58 121.20 2dkk h GLU 247 Ca 0.01 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.13 2dkk h GLU 247 Cb 0.14 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 2dkk h GLU 247 CO -0.00 0.00 -0.12 0.00 -0.73 0.00 0.00 179.01 178.16 2dkk h ALA 248 N 1.82 0.73 -0.41 2.92 0.00 -1.68 -2.23 119.26 120.42 2dkk h ALA 248 Ca 0.14 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 2dkk h ALA 248 Cb 0.59 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2dkk h ALA 248 CO -0.00 0.66 -0.15 0.28 0.00 0.00 0.00 179.25 180.03 2dkk h VAL 249 N 0.90 1.28 -0.31 0.00 2.07 -1.32 -1.19 116.25 117.67 2dkk h VAL 249 Ca 0.14 -1.28 0.07 0.00 0.82 0.00 0.00 66.70 66.45 2dkk h VAL 249 Cb 0.69 1.24 -0.07 0.00 -1.52 0.00 0.00 31.29 31.63 2dkk h VAL 249 CO 0.05 0.43 -0.13 0.74 0.02 0.00 0.00 177.57 178.68 2dkk h THR 250 N 0.64 0.57 0.00 2.57 2.02 -1.16 -1.49 112.91 116.07 2dkk h THR 250 Ca 0.10 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 67.11 2dkk h THR 250 Cb 0.70 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.65 2dkk h THR 250 CO 0.05 0.00 -0.92 0.45 0.37 0.00 0.00 175.52 175.47 2dkk h HIS 251 N -0.08 0.00 -0.28 3.16 -0.00 -1.38 -1.42 115.15 115.14 2dkk h HIS 251 Ca 0.16 0.00 -0.19 0.00 -0.00 0.00 0.00 60.37 60.34 2dkk h HIS 251 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.73 2dkk h HIS 251 CO -0.34 0.74 -0.55 -0.97 -0.00 0.00 0.00 177.93 176.81 2dkk h ASN 252 N 0.00 0.96 0.46 2.45 -1.24 -1.09 -1.71 115.58 115.42 2dkk h ASN 252 Ca -0.05 -0.51 -0.18 0.00 0.71 0.00 0.00 56.30 56.26 2dkk h ASN 252 Cb 1.61 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 40.38 2dkk h ASN 252 CO 0.09 1.31 -0.77 0.58 -1.29 0.00 0.00 177.43 177.35 2dkk h VAL 253 N 0.66 1.44 -0.79 2.57 2.07 -1.34 -1.27 116.25 119.58 2dkk h VAL 253 Ca 0.01 -2.35 0.01 0.00 0.82 0.00 0.00 66.70 65.19 2dkk h VAL 253 Cb 1.16 2.27 -0.04 0.00 -1.52 0.00 0.00 31.29 33.16 2dkk h VAL 253 CO 0.12 0.69 0.52 1.23 0.02 0.00 0.00 177.57 180.15 2dkk h GLY 254 N 1.64 1.12 0.92 2.17 0.00 -1.12 0.31 103.07 108.11 2dkk h GLY 254 Ca -0.03 -0.43 -0.12 0.00 0.00 0.00 0.00 47.33 46.75 2dkk h GLY 254 CO 0.12 0.42 -0.34 1.46 0.00 0.00 0.00 176.54 178.20 2dkk h GLN 255 N 1.08 0.61 -0.21 4.80 4.20 -1.09 -0.76 115.11 123.74 2dkk h GLN 255 Ca 0.29 -0.37 0.01 0.00 0.06 0.00 0.00 58.65 58.65 2dkk h GLN 255 Cb -0.11 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 2dkk h GLN 255 CO -0.06 0.98 0.10 0.52 -0.67 0.00 0.00 178.83 179.69 2dkk h MET 256 N 0.30 0.21 -0.55 1.46 2.86 -0.45 -1.10 114.93 117.66 2dkk h MET 256 Ca 0.02 -0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.60 2dkk h MET 256 Cb 0.92 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.51 2dkk h MET 256 CO 0.08 0.14 0.15 -0.07 1.06 0.00 0.00 176.91 178.26 2dkk h LEU 257 N 0.21 0.77 -0.43 1.22 3.38 -0.37 -1.21 115.31 118.88 2dkk h LEU 257 Ca 0.09 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 57.95 2dkk h LEU 257 Cb 0.03 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 2dkk h LEU 257 CO -0.07 0.74 0.23 0.22 0.09 0.00 0.00 178.44 179.66 2dkk h TYR 258 N 0.80 0.44 -0.43 1.13 3.20 -0.61 0.37 116.97 121.88 2dkk h TYR 258 Ca 0.18 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.04 2dkk h TYR 258 Cb 0.27 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 2dkk h TYR 258 CO 0.02 0.24 0.17 -0.07 -1.64 0.00 0.00 178.16 176.88 2dkk h LEU 259 N 0.47 0.59 -1.23 2.82 3.38 -0.84 0.14 115.31 120.64 2dkk h LEU 259 Ca 0.18 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2dkk h LEU 259 Cb 0.05 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 2dkk h LEU 259 CO -0.10 0.60 0.32 -0.07 0.09 0.00 0.00 178.44 179.27 2dkk h LEU 260 N 0.55 0.76 0.00 1.67 4.07 -0.61 0.76 115.31 122.51 2dkk h LEU 260 Ca 0.14 -0.06 -0.00 0.00 0.08 0.00 0.00 57.88 58.04 2dkk h LEU 260 Cb 0.19 -0.19 -0.00 0.00 1.08 0.00 0.00 40.66 41.74 2dkk h LEU 260 CO -0.01 0.63 -0.26 -0.07 -1.08 0.00 0.00 178.44 177.64 2dkk h LEU 261 N 0.85 0.00 0.00 1.67 3.38 0.25 -3.34 115.31 118.13 2dkk h LEU 261 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2dkk h LEU 261 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2dkk h LEU 261 CO -0.03 0.01 -1.24 0.35 0.09 0.00 0.00 178.44 177.62 2dkk n THR 262 N -3.00 0.00 -3.52 0.22 -2.24 0.44 -4.66 114.28 101.52 2dkk n THR 262 Ca 0.03 -0.26 -0.27 0.00 -2.27 0.00 0.00 64.05 61.28 2dkk n THR 262 Cb 0.54 0.54 -0.09 0.00 -2.10 0.00 0.00 70.33 69.21 2dkk n THR 262 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2dkk n ARG 263 N -1.72 1.98 -0.18 -0.78 1.74 0.24 -4.98 116.66 112.96 2dkk n ARG 263 Ca -0.00 -4.35 0.18 0.00 -0.77 0.00 0.00 57.85 52.90 2dkk n ARG 263 Cb 0.32 -2.10 0.32 0.00 -1.02 0.00 0.00 32.46 29.98 2dkk n ARG 263 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 2dkk n ARG 264 N 1.33 -0.03 -0.13 5.56 1.85 -1.26 0.89 116.66 124.87 2dkk n ARG 264 Ca 0.26 0.78 0.04 0.00 -1.00 0.00 0.00 57.85 57.94 2dkk n ARG 264 Cb 0.41 -1.39 0.35 0.00 -1.05 0.00 0.00 32.46 30.78 2dkk n ARG 264 CO 0.00 0.00 0.00 1.05 -0.01 0.00 0.00 177.63 178.67 2dkk h GLU 265 N 0.00 0.73 -0.36 2.89 4.11 -1.93 -0.76 114.58 119.25 2dkk h GLU 265 Ca 0.47 -0.04 -0.17 0.00 0.07 0.00 0.00 59.36 59.69 2dkk h GLU 265 Cb 1.24 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 2dkk h GLU 265 CO -0.44 0.48 -0.43 -0.07 0.07 0.00 0.00 179.01 178.63 2dkk h LEU 266 N 0.75 0.99 -0.57 3.06 3.38 0.20 -1.74 115.31 121.38 2dkk h LEU 266 Ca 0.25 -0.47 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 2dkk h LEU 266 Cb 0.07 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 2dkk h LEU 266 CO -0.07 1.27 0.32 -0.03 0.09 0.00 0.00 178.44 180.02 2dkk h MET 267 N 0.74 0.80 -0.21 1.13 4.05 -1.41 -0.64 114.93 119.39 2dkk h MET 267 Ca 0.05 -0.09 0.02 0.00 -0.28 0.00 0.00 59.70 59.40 2dkk h MET 267 Cb 1.03 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 31.65 2dkk h MET 267 CO 0.10 0.60 0.09 0.00 0.23 0.00 0.00 176.91 177.94 2dkk h ALA 268 N 1.15 0.24 -0.53 0.39 0.00 -0.99 0.25 119.26 119.77 2dkk h ALA 268 Ca 0.20 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 2dkk h ALA 268 Cb 0.03 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2dkk h ALA 268 CO -0.03 -0.33 0.32 0.00 0.00 0.00 0.00 179.25 179.21 2dkk h ARG 269 N 0.20 0.71 -0.14 0.00 -0.00 -1.05 -1.90 114.38 112.20 2dkk h ARG 269 Ca 0.09 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.98 59.50 2dkk h ARG 269 Cb 0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 29.97 29.85 2dkk h ARG 269 CO -0.07 0.51 0.08 1.98 0.00 0.00 0.00 179.97 182.47 2dkk h MET 270 N 0.71 0.19 0.00 0.04 4.05 -0.70 -2.59 114.93 116.63 2dkk h MET 270 Ca 0.19 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.57 2dkk h MET 270 Cb -0.02 -0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 30.74 2dkk h MET 270 CO -0.04 0.18 -0.08 0.00 0.23 0.00 0.00 176.91 177.20 2dkk h ARG 271 N 0.15 0.00 0.00 0.39 3.08 -0.28 -2.77 114.38 114.95 2dkk h ARG 271 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2dkk h ARG 271 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 2dkk h ARG 271 CO -0.01 0.08 -0.17 0.39 -1.07 0.00 0.00 179.97 179.20 2dkk n GLU 272 N -3.77 0.09 -2.29 0.04 1.02 -0.73 -4.30 120.64 110.70 2dkk n GLU 272 Ca -0.02 0.06 -0.25 0.00 -0.02 0.00 0.00 57.16 56.92 2dkk n GLU 272 Cb 0.19 -1.59 0.01 0.00 -0.02 0.00 0.00 31.44 30.03 2dkk n GLU 272 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 2dkk n ARG 273 N -1.74 3.46 -1.70 3.49 1.85 -1.04 -5.07 116.66 115.90 2dkk n ARG 273 Ca 0.06 -4.33 -0.42 0.00 -1.00 0.00 0.00 57.85 52.16 2dkk n ARG 273 Cb 0.37 -2.24 0.00 0.00 -1.05 0.00 0.00 32.46 29.54 2dkk n ARG 273 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 2dkk n PRO 274 N -0.58 2.07 -0.97 2.89 -0.02 -1.26 -0.67 135.00 136.47 2dkk n PRO 274 Ca 0.40 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.62 2dkk n PRO 274 Cb 0.80 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 2dkk n PRO 274 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2dkk n GLY 275 N 0.77 0.72 2.72 -1.23 0.00 -1.26 -4.83 105.19 102.07 2dkk n GLY 275 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 2dkk n GLY 275 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dkk n ALA 276 N 1.00 2.57 0.62 4.61 0.00 0.16 -4.92 120.51 124.54 2dkk n ALA 276 Ca 0.00 -2.04 0.11 0.00 0.00 0.00 0.00 53.44 51.52 2dkk n ALA 276 Cb 0.02 -0.90 0.25 0.00 0.00 0.00 0.00 19.45 18.82 2dkk n ALA 276 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2dkk n ARG 277 N -0.74 2.28 -0.12 0.00 1.74 -1.21 -4.64 116.66 113.96 2dkk n ARG 277 Ca -0.02 -1.92 -0.09 0.00 -0.77 0.00 0.00 57.85 55.05 2dkk n ARG 277 Cb 0.84 -1.48 -0.04 0.00 -1.02 0.00 0.00 32.46 30.76 2dkk n ARG 277 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2dkk h GLY 278 N 4.69 -0.50 1.83 -0.13 0.00 -1.92 -0.92 103.07 106.12 2dkk h GLY 278 Ca 0.00 0.52 -0.11 0.00 0.00 0.00 0.00 47.33 47.73 2dkk h GLY 278 CO 0.00 -0.19 -0.47 -0.91 0.00 0.00 0.00 176.54 174.97 2dkk h THR 279 N -0.32 1.34 -0.36 4.70 1.35 -1.97 -2.56 112.91 115.09 2dkk h THR 279 Ca 0.14 -1.66 -0.01 0.00 -0.55 0.00 0.00 66.41 64.33 2dkk h THR 279 Cb 0.58 1.80 -0.02 0.00 -1.73 0.00 0.00 68.15 68.78 2dkk h THR 279 CO -0.56 0.49 0.17 0.00 -0.25 0.00 0.00 175.52 175.37 2dkk h ALA 280 N 1.36 0.47 -0.45 6.62 0.00 -1.72 0.68 119.26 126.21 2dkk h ALA 280 Ca 0.01 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 2dkk h ALA 280 Cb 0.89 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2dkk h ALA 280 CO 0.07 0.04 -0.13 -0.07 0.00 0.00 0.00 179.25 179.15 2dkk h LEU 281 N 0.45 0.84 -0.91 0.00 3.38 -1.09 -1.50 115.31 116.48 2dkk h LEU 281 Ca 0.12 -0.27 -0.11 0.00 0.09 0.00 0.00 57.88 57.71 2dkk h LEU 281 Cb 0.13 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2dkk h LEU 281 CO -0.02 0.98 -0.53 0.44 0.09 0.00 0.00 178.44 179.41 2dkk h ASP 282 N 0.75 0.04 -0.06 -0.43 3.32 -1.22 -1.20 116.42 117.64 2dkk h ASP 282 Ca 0.12 -0.02 -0.15 0.00 0.02 0.00 0.00 57.03 56.99 2dkk h ASP 282 Cb 0.64 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 2dkk h ASP 282 CO 0.04 0.56 -0.49 -0.08 -1.72 0.00 0.00 179.24 177.56 2dkk h GLU 283 N 0.03 0.62 -0.51 3.56 4.57 -0.51 -1.09 114.58 121.25 2dkk h GLU 283 Ca -0.00 -0.36 -0.12 0.00 -1.18 0.00 0.00 59.36 57.70 2dkk h GLU 283 Cb 0.95 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.55 2dkk h GLU 283 CO 0.07 0.97 -0.15 -0.07 -1.18 0.00 0.00 179.01 178.65 2dkk h LEU 284 N 0.49 1.00 -0.97 1.64 3.38 -1.01 -1.44 115.31 118.41 2dkk h LEU 284 Ca 0.02 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 2dkk h LEU 284 Cb 1.03 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.46 2dkk h LEU 284 CO 0.10 1.14 0.55 -0.07 0.09 0.00 0.00 178.44 180.25 2dkk h LEU 285 N 0.87 1.12 -0.18 1.67 3.38 -0.99 0.23 115.31 121.41 2dkk h LEU 285 Ca 0.13 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 2dkk h LEU 285 Cb 0.72 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2dkk h LEU 285 CO 0.06 0.87 -0.04 -0.09 0.09 0.00 0.00 178.44 179.32 2dkk h ARG 286 N 1.28 0.35 0.03 1.13 2.43 -0.99 -3.33 114.38 115.28 2dkk h ARG 286 Ca 0.33 -0.13 -0.26 0.00 -0.81 0.00 0.00 59.98 59.11 2dkk h ARG 286 Cb -0.05 -0.02 0.02 0.00 -0.42 0.00 0.00 29.97 29.50 2dkk h ARG 286 CO -0.06 0.61 -1.06 2.35 -1.51 0.00 0.00 179.97 180.29 2dkk h TRP 287 N 0.06 0.86 -2.73 2.20 7.01 -1.01 -3.46 115.95 118.89 2dkk h TRP 287 Ca 0.05 -0.49 -0.52 0.00 2.11 0.00 0.00 58.89 60.03 2dkk h TRP 287 Cb 0.47 -0.09 0.05 0.00 -2.10 0.00 0.00 29.16 27.50 2dkk h TRP 287 CO 0.05 1.33 0.97 0.42 -2.79 0.00 0.00 178.44 178.41 2dkk s ILE 288 N -3.20 2.23 -0.97 2.65 1.01 0.79 -4.92 121.20 118.78 2dkk s ILE 288 Ca -0.08 0.16 -0.21 0.00 0.00 0.00 0.00 60.65 60.52 2dkk s ILE 288 Cb 0.07 -3.10 0.09 0.00 0.01 0.00 0.00 42.46 39.53 2dkk s ILE 288 CO 0.90 0.01 1.28 -0.44 0.00 0.00 0.00 174.94 176.70 2dkk s SER 289 N 1.15 6.56 0.24 3.58 0.01 -1.26 -4.86 113.70 119.13 2dkk s SER 289 Ca 0.73 -1.74 -0.06 0.00 1.31 0.00 0.00 55.95 56.19 2dkk s SER 289 Cb -0.48 -2.48 0.25 0.00 0.21 0.00 0.00 66.02 63.52 2dkk s SER 289 CO 0.32 -1.29 1.85 -0.74 0.41 0.00 0.00 173.24 173.79 2dkk h HIS 290 N 9.31 1.17 -3.23 2.43 2.76 -1.91 -3.43 115.15 122.25 2dkk h HIS 290 Ca 0.17 -0.04 -0.65 0.00 -2.20 0.00 0.00 60.37 57.66 2dkk h HIS 290 Cb 1.02 -0.37 -0.16 0.00 1.55 0.00 0.00 27.41 29.44 2dkk h HIS 290 CO 1.22 0.83 -0.77 1.03 -1.30 0.00 0.00 177.93 178.95 2dkk s ARG 291 N -5.72 1.86 0.35 5.26 0.52 -1.26 -0.73 118.95 119.22 2dkk s ARG 291 Ca -0.12 -1.31 0.21 0.00 -0.52 0.00 0.00 55.73 53.99 2dkk s ARG 291 Cb 0.17 -2.07 0.21 0.00 0.52 0.00 0.00 34.95 33.77 2dkk s ARG 291 CO 0.82 0.44 1.44 1.79 0.02 0.00 0.00 175.30 179.81 2dkk h THR 292 N 3.07 0.19 -1.76 0.02 1.35 -0.34 -3.44 112.91 111.99 2dkk h THR 292 Ca -0.47 -1.28 0.00 0.00 -0.55 0.00 0.00 66.41 64.11 2dkk h THR 292 Cb 1.20 1.99 0.00 0.00 -1.73 0.00 0.00 68.15 69.61 2dkk h THR 292 CO 0.51 0.11 0.00 -0.24 -0.25 0.00 0.00 175.52 175.64 2dkk n SER 293 N -3.04 0.00 -4.84 5.36 2.88 -1.26 -4.65 113.62 108.07 2dkk n SER 293 Ca 0.02 -0.76 -0.36 0.00 -1.33 0.00 0.00 58.87 56.44 2dkk n SER 293 Cb 0.59 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.99 2dkk n SER 293 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2dkk s VAL 294 N -2.03 4.87 0.00 2.46 -7.23 -1.26 -5.06 120.40 112.15 2dkk s VAL 294 Ca 0.00 0.86 0.00 0.00 -1.81 0.00 0.00 61.98 61.03 2dkk s VAL 294 Cb 0.00 -3.75 0.00 0.00 0.56 0.00 0.00 36.38 33.19 2dkk s VAL 294 CO 0.00 0.32 0.00 0.61 -0.31 0.00 0.00 175.10 175.72 2dkk n GLY 295 N 1.03 -0.59 3.61 2.32 0.00 -1.26 -4.77 105.19 105.52 2dkk n GLY 295 Ca -0.07 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 2dkk n GLY 295 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dkk s LEU 296 N 0.00 3.70 0.92 0.99 1.02 -1.26 -4.92 118.68 119.13 2dkk s LEU 296 Ca 0.00 0.04 -0.13 0.00 0.02 0.00 0.00 54.13 54.06 2dkk s LEU 296 Cb 0.00 -1.93 0.14 0.00 0.02 0.00 0.00 46.19 44.43 2dkk s LEU 296 CO 0.00 0.18 1.15 0.00 0.02 0.00 0.00 176.35 177.69 2dkk s ALA 297 N 0.36 1.81 0.13 4.21 0.00 -1.26 -4.84 121.76 122.16 2dkk s ALA 297 Ca 0.02 -0.59 0.10 0.00 0.00 0.00 0.00 51.96 51.48 2dkk s ALA 297 Cb -0.13 -3.01 -0.04 0.00 0.00 0.00 0.00 23.12 19.95 2dkk s ALA 297 CO 0.01 -2.31 -0.24 1.03 0.00 0.00 0.00 175.76 174.25 2dkk s ARG 298 N -5.34 1.31 -0.15 0.00 0.52 -0.50 -4.81 118.95 109.98 2dkk s ARG 298 Ca 0.65 -1.32 -0.04 0.00 -0.52 0.00 0.00 55.73 54.49 2dkk s ARG 298 Cb -0.14 -1.66 -0.03 0.00 0.52 0.00 0.00 34.95 33.65 2dkk s ARG 298 CO 0.53 0.38 -0.01 0.42 0.02 0.00 0.00 175.30 176.64 2dkk s ILE 299 N -1.30 4.12 0.04 1.52 -1.09 0.12 -1.45 121.20 123.17 2dkk s ILE 299 Ca 0.13 -0.28 -0.30 0.00 -2.23 0.00 0.00 60.65 57.96 2dkk s ILE 299 Cb -0.09 -2.80 -0.07 0.00 -1.58 0.00 0.00 42.46 37.91 2dkk s ILE 299 CO 0.06 0.51 1.62 0.00 -1.23 0.00 0.00 174.94 175.89 2dkk s ALA 300 N 0.14 3.66 -2.33 9.38 0.00 -0.91 -1.33 121.76 130.37 2dkk s ALA 300 Ca 0.00 1.12 0.22 0.00 0.00 0.00 0.00 51.96 53.31 2dkk s ALA 300 Cb -0.13 -3.69 0.06 0.00 0.00 0.00 0.00 23.12 19.36 2dkk s ALA 300 CO 0.02 -1.12 1.13 1.28 0.00 0.00 0.00 175.76 177.07 2dkk n LEU 301 N 5.79 2.35 -2.71 0.00 4.77 0.39 -0.38 117.00 127.22 2dkk n LEU 301 Ca 0.16 -0.85 -0.07 0.00 -0.03 0.00 0.00 56.01 55.21 2dkk n LEU 301 Cb 0.41 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.60 2dkk n LEU 301 CO 0.62 0.42 0.47 -1.84 -1.33 0.00 0.00 177.39 175.72 2dkk n GLU 302 N 0.47 0.92 -2.00 3.23 0.28 -1.26 -4.89 120.64 117.38 2dkk n GLU 302 Ca 0.11 -1.66 0.00 0.00 -0.16 0.00 0.00 57.16 55.45 2dkk n GLU 302 Cb 0.50 -0.50 0.00 0.00 1.43 0.00 0.00 31.44 32.87 2dkk n GLU 302 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2dkk n ASP 303 N -0.03 -3.68 -4.43 -1.84 -0.08 -1.26 -4.85 116.55 100.37 2dkk n ASP 303 Ca -0.01 0.72 -0.21 0.00 -1.51 0.00 0.00 54.79 53.78 2dkk n ASP 303 Cb 0.75 -1.13 -0.10 0.00 2.34 0.00 0.00 41.12 42.98 2dkk n ASP 303 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2dkk s VAL 304 N 0.00 1.50 -0.06 5.18 1.01 -0.02 -4.86 120.40 123.15 2dkk s VAL 304 Ca 0.00 -2.08 0.05 0.00 0.00 0.00 0.00 61.98 59.95 2dkk s VAL 304 Cb 0.00 -2.55 -0.00 0.00 0.00 0.00 0.00 36.38 33.83 2dkk s VAL 304 CO 0.00 -0.22 -0.21 -1.83 0.00 0.00 0.00 175.10 172.84 2dkk s GLU 305 N -3.78 2.27 -0.08 2.72 4.04 -1.26 0.12 118.70 122.73 2dkk s GLU 305 Ca 0.31 -0.75 0.00 0.00 0.04 0.00 0.00 54.97 54.57 2dkk s GLU 305 Cb 0.05 -1.89 0.02 0.00 0.02 0.00 0.00 34.13 32.33 2dkk s GLU 305 CO 0.13 0.27 -0.07 0.08 -1.84 0.00 0.00 175.26 173.83 2dkk s VAL 306 N 0.05 0.89 -1.62 1.83 1.01 0.43 -4.82 120.40 118.17 2dkk s VAL 306 Ca -0.07 -0.26 -0.15 0.00 0.00 0.00 0.00 61.98 61.51 2dkk s VAL 306 Cb -0.14 -0.90 0.12 0.00 0.00 0.00 0.00 36.38 35.47 2dkk s VAL 306 CO 0.04 0.33 0.78 1.57 0.00 0.00 0.00 175.10 177.82 2dkk n HIS 307 N 4.52 -1.86 -0.23 5.22 -0.00 -1.26 -0.67 115.22 120.94 2dkk n HIS 307 Ca -0.17 0.82 0.00 0.00 -0.00 0.00 0.00 57.72 58.37 2dkk n HIS 307 Cb 0.51 -3.30 0.00 0.00 -0.00 0.00 0.00 29.99 27.20 2dkk n HIS 307 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2dkk n GLY 308 N -1.54 1.03 3.61 1.57 0.00 -1.26 -4.95 105.19 103.64 2dkk n GLY 308 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 2dkk n GLY 308 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dkk s THR 309 N -2.68 3.66 -0.26 2.61 2.01 0.16 -5.10 115.64 116.03 2dkk s THR 309 Ca 0.00 -0.92 -0.09 0.00 0.31 0.00 0.00 61.69 60.99 2dkk s THR 309 Cb 0.00 -2.65 -0.04 0.00 0.01 0.00 0.00 72.50 69.82 2dkk s THR 309 CO 0.00 0.28 0.13 -0.60 -0.69 0.00 0.00 174.62 173.74 2dkk s ARG 310 N -1.76 3.80 -0.32 4.92 6.06 -1.26 0.16 118.95 130.55 2dkk s ARG 310 Ca 0.20 -0.40 -0.10 0.00 -2.50 0.00 0.00 55.73 52.93 2dkk s ARG 310 Cb -0.11 -3.48 0.00 0.00 0.06 0.00 0.00 34.95 31.42 2dkk s ARG 310 CO 0.11 -0.17 0.16 -1.50 -2.50 0.00 0.00 175.30 171.39 2dkk s ILE 311 N 1.65 4.53 0.33 4.11 2.07 0.32 -4.97 121.20 129.24 2dkk s ILE 311 Ca 0.07 -0.54 -0.29 0.00 -1.41 0.00 0.00 60.65 58.48 2dkk s ILE 311 Cb -0.15 -3.36 -0.10 0.00 0.13 0.00 0.00 42.46 38.98 2dkk s ILE 311 CO 0.07 0.00 1.25 0.00 -1.91 0.00 0.00 174.94 174.35 2dkk s ALA 312 N 1.59 3.45 0.40 1.50 0.00 -1.26 -0.84 121.76 126.59 2dkk s ALA 312 Ca 0.04 1.16 -0.24 0.00 0.00 0.00 0.00 51.96 52.92 2dkk s ALA 312 Cb -0.17 -3.44 -0.12 0.00 0.00 0.00 0.00 23.12 19.39 2dkk s ALA 312 CO 0.06 -0.53 0.81 0.00 0.00 0.00 0.00 175.76 176.11 2dkk n ALA 313 N 0.83 -0.64 0.00 0.00 0.00 -1.26 -1.38 120.51 118.06 2dkk n ALA 313 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.67 2dkk n ALA 313 Cb 0.43 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 17.94 2dkk n ALA 313 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dkk n GLY 314 N 1.45 2.40 3.79 0.00 0.00 0.49 -4.86 105.19 108.47 2dkk n GLY 314 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 2dkk n GLY 314 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dkk s GLU 315 N -0.28 4.44 0.48 1.61 2.02 -0.48 -4.77 118.70 121.73 2dkk s GLU 315 Ca 0.00 1.10 -0.09 0.00 0.02 0.00 0.00 54.97 56.00 2dkk s GLU 315 Cb 0.00 -2.93 -0.05 0.00 0.10 0.00 0.00 34.13 31.24 2dkk s GLU 315 CO 0.00 0.39 0.84 -1.25 0.02 0.00 0.00 175.26 175.26 2dkk s PRO 316 N -1.83 3.67 -0.20 0.39 0.04 -1.26 -2.13 135.00 133.68 2dkk s PRO 316 Ca 0.44 0.45 -0.10 0.00 0.04 0.00 0.00 61.00 61.84 2dkk s PRO 316 Cb -0.19 -2.31 0.07 0.00 0.04 0.00 0.00 34.50 32.11 2dkk s PRO 316 CO 0.23 -0.21 0.47 0.54 0.04 0.00 0.00 177.00 178.07 2dkk s VAL 317 N -2.66 -0.21 0.12 -0.36 0.11 -0.53 -1.59 120.40 115.29 2dkk s VAL 317 Ca 0.51 0.09 0.02 0.00 -2.93 0.00 0.00 61.98 59.68 2dkk s VAL 317 Cb -0.10 -0.70 -0.04 0.00 -1.53 0.00 0.00 36.38 34.01 2dkk s VAL 317 CO 0.40 0.04 0.22 -0.31 -3.33 0.00 0.00 175.10 172.11 2dkk s TYR 318 N 1.78 3.40 0.13 1.54 1.51 0.97 -1.41 117.35 125.29 2dkk s TYR 318 Ca -0.08 0.12 0.10 0.00 -1.01 0.00 0.00 57.07 56.21 2dkk s TYR 318 Cb -0.09 -1.66 -0.04 0.00 -0.11 0.00 0.00 41.96 40.06 2dkk s TYR 318 CO -0.14 0.54 -0.22 0.14 -1.11 0.00 0.00 175.55 174.76 2dkk s VAL 319 N -1.64 2.58 -0.32 0.71 -7.23 -1.26 -0.93 120.40 112.31 2dkk s VAL 319 Ca 0.33 -1.67 0.00 0.00 -1.81 0.00 0.00 61.98 58.83 2dkk s VAL 319 Cb -0.12 -2.18 0.07 0.00 0.56 0.00 0.00 36.38 34.71 2dkk s VAL 319 CO 0.27 0.06 0.03 -0.55 -0.31 0.00 0.00 175.10 174.59 2dkk s SER 320 N -2.21 4.85 0.36 4.85 0.15 -0.80 -4.75 113.70 116.14 2dkk s SER 320 Ca 0.17 -1.61 0.13 0.00 0.70 0.00 0.00 55.95 55.33 2dkk s SER 320 Cb -0.10 -1.68 0.67 0.00 -1.71 0.00 0.00 66.02 63.19 2dkk s SER 320 CO 0.09 -0.32 1.79 1.88 1.20 0.00 0.00 173.24 177.88 2dkk h TYR 321 N 7.89 0.00 0.28 3.44 -1.99 -1.89 -0.87 116.97 123.82 2dkk h TYR 321 Ca -0.16 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.56 2dkk h TYR 321 Cb 1.05 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.78 2dkk h TYR 321 CO 0.58 0.41 -0.13 -0.07 -0.00 0.00 0.00 178.16 178.94 2dkk h LEU 322 N 0.00 -0.32 -0.74 3.88 3.38 -1.92 0.14 115.31 119.73 2dkk h LEU 322 Ca -0.00 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 57.84 2dkk h LEU 322 Cb 0.73 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 2dkk h LEU 322 CO 0.05 -0.02 0.47 0.00 0.09 0.00 0.00 178.44 179.04 2dkk h ALA 323 N 0.01 0.97 -0.62 1.53 0.00 -1.84 -1.92 119.26 117.39 2dkk h ALA 323 Ca -0.04 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.86 2dkk h ALA 323 Cb 0.45 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2dkk h ALA 323 CO 0.06 0.28 0.40 0.00 0.00 0.00 0.00 179.25 179.99 2dkk h ALA 324 N 1.31 0.79 0.00 0.00 0.00 -1.01 -1.34 119.26 119.02 2dkk h ALA 324 Ca 0.29 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2dkk h ALA 324 Cb -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.56 2dkk h ALA 324 CO -0.10 0.18 0.00 0.09 0.00 0.00 0.00 179.25 179.42 2dkk n ASN 325 N -4.68 0.00 -0.40 0.00 3.02 0.46 -1.58 115.26 112.08 2dkk n ASN 325 Ca 0.05 0.30 0.04 0.00 -0.03 0.00 0.00 54.58 54.94 2dkk n ASN 325 Cb 0.04 -0.37 0.11 0.00 -0.61 0.00 0.00 39.78 38.95 2dkk n ASN 325 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2dkk n ARG 326 N -1.37 2.83 -1.85 3.52 5.12 -0.52 -4.87 116.66 119.51 2dkk n ARG 326 Ca 0.03 -1.96 -0.43 0.00 -1.93 0.00 0.00 57.85 53.57 2dkk n ARG 326 Cb 0.07 -1.24 -0.03 0.00 -1.16 0.00 0.00 32.46 30.11 2dkk n ARG 326 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2dkk s ASP 327 N -1.20 6.17 0.64 0.55 -1.08 -0.62 -4.73 116.67 116.41 2dkk s ASP 327 Ca 0.17 2.02 0.28 0.00 -0.52 0.00 0.00 52.55 54.50 2dkk s ASP 327 Cb 0.11 -2.53 1.53 0.00 -1.46 0.00 0.00 42.92 40.57 2dkk s ASP 327 CO 0.09 -1.37 1.88 -0.65 0.52 0.00 0.00 175.17 175.64 2dkk h PRO 328 N 11.77 0.00 0.00 4.34 0.11 -1.91 0.29 132.00 146.60 2dkk h PRO 328 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2dkk h PRO 328 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2dkk h PRO 328 CO 0.97 0.00 -0.08 -0.44 -0.21 0.00 0.00 178.00 178.24 2dkk h ASP 329 N 0.00 0.00 0.00 -2.05 5.19 -1.98 -3.36 116.42 114.22 2dkk h ASP 329 Ca 0.06 -0.01 -0.18 0.00 -0.62 0.00 0.00 57.03 56.28 2dkk h ASP 329 Cb 0.85 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.33 2dkk h ASP 329 CO -0.00 0.00 -1.69 0.52 -3.12 0.00 0.00 179.24 174.95 2dkk n VAL 330 N -2.83 0.70 -3.91 -1.35 0.31 -0.10 -4.91 118.33 106.24 2dkk n VAL 330 Ca 0.04 -0.33 -0.30 0.00 -0.01 0.00 0.00 64.34 63.73 2dkk n VAL 330 Cb 0.50 -0.86 -0.15 0.00 -0.91 0.00 0.00 33.84 32.43 2dkk n VAL 330 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 2dkk s PHE 331 N -2.24 2.96 0.43 3.52 0.40 -0.13 -4.99 117.98 117.93 2dkk s PHE 331 Ca -0.12 -2.55 -0.25 0.00 -0.60 0.00 0.00 56.93 53.41 2dkk s PHE 331 Cb 0.04 -2.46 -0.09 0.00 0.51 0.00 0.00 43.02 41.01 2dkk s PHE 331 CO 0.34 -0.91 1.31 -2.30 0.70 0.00 0.00 175.22 174.35 2dkk n PRO 332 N 4.40 2.00 -3.83 0.24 -0.02 -1.26 -2.35 135.00 134.18 2dkk n PRO 332 Ca 0.02 0.71 -0.34 0.00 -2.02 0.00 0.00 63.50 61.87 2dkk n PRO 332 Cb 0.41 -2.45 0.02 0.00 -0.02 0.00 0.00 33.50 31.47 2dkk n PRO 332 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2dkk n ASP 333 N 0.07 -4.90 0.25 2.55 4.64 -1.26 -4.83 116.55 113.07 2dkk n ASP 333 Ca 0.06 -1.06 0.09 0.00 -1.38 0.00 0.00 54.79 52.51 2dkk n ASP 333 Cb 0.40 -2.35 0.65 0.00 -1.04 0.00 0.00 41.12 38.78 2dkk n ASP 333 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 2dkk h PRO 334 N -1.60 0.00 -0.09 -0.67 0.13 -1.76 -2.92 132.00 125.09 2dkk h PRO 334 Ca -0.63 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 2dkk h PRO 334 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 2dkk h PRO 334 CO 0.45 0.10 0.00 -0.25 -0.23 0.00 0.00 178.00 178.07 2dkk n ASP 335 N -4.15 0.94 -4.68 1.44 8.00 -1.26 -4.83 116.55 112.02 2dkk n ASP 335 Ca -0.03 -1.59 -0.35 0.00 0.71 0.00 0.00 54.79 53.54 2dkk n ASP 335 Cb 0.18 -0.06 -0.09 0.00 -0.02 0.00 0.00 41.12 41.13 2dkk n ASP 335 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2dkk s ARG 336 N -1.88 3.22 -0.84 -1.24 3.52 -1.10 -5.05 118.95 115.58 2dkk s ARG 336 Ca 0.30 -0.39 -0.19 0.00 -0.13 0.00 0.00 55.73 55.33 2dkk s ARG 336 Cb 0.15 -2.89 0.13 0.00 -1.56 0.00 0.00 34.95 30.78 2dkk s ARG 336 CO 0.24 0.61 1.00 0.42 -0.81 0.00 0.00 175.30 176.76 2dkk s ILE 337 N -0.61 4.80 -2.43 4.11 1.01 -1.26 -4.80 121.20 122.02 2dkk s ILE 337 Ca 0.10 -1.45 0.21 0.00 0.00 0.00 0.00 60.65 59.52 2dkk s ILE 337 Cb -0.12 -4.69 0.27 0.00 0.01 0.00 0.00 42.46 37.93 2dkk s ILE 337 CO 0.02 -1.39 1.25 -0.90 0.00 0.00 0.00 174.94 173.92 2dkk n ASP 338 N 6.36 3.00 0.00 3.58 5.68 -1.26 -5.05 116.55 128.86 2dkk n ASP 338 Ca 0.14 -1.91 0.00 0.00 -0.50 0.00 0.00 54.79 52.53 2dkk n ASP 338 Cb 0.47 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 40.35 2dkk n ASP 338 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2dkk n LEU 339 N 1.25 0.00 -0.19 -2.12 4.77 -1.26 -4.59 117.00 114.85 2dkk n LEU 339 Ca 0.15 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 2dkk n LEU 339 Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 2dkk n LEU 339 CO 0.14 0.00 0.00 0.47 -1.33 0.00 0.00 177.39 176.67 2dkk n ASP 340 N -2.30 0.00 -3.82 -1.43 8.00 -1.26 -4.84 116.55 110.89 2dkk n ASP 340 Ca 0.00 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.20 2dkk n ASP 340 Cb 0.00 0.00 0.28 0.00 -0.02 0.00 0.00 41.12 41.38 2dkk n ASP 340 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2dkk s ARG 341 N 0.00 -2.32 0.00 -1.24 0.52 -1.26 -5.00 118.95 109.65 2dkk s ARG 341 Ca 0.00 0.40 0.00 0.00 -0.52 0.00 0.00 55.73 55.61 2dkk s ARG 341 Cb 0.00 -1.43 0.00 0.00 0.52 0.00 0.00 34.95 34.04 2dkk s ARG 341 CO 0.00 -4.54 0.00 -0.40 0.02 0.00 0.00 175.30 170.38 2dkk n ASP 342 N -5.43 0.00 -0.28 0.23 5.75 -1.26 -4.69 116.55 110.86 2dkk n ASP 342 Ca 0.09 0.00 0.10 0.00 -0.01 0.00 0.00 54.79 54.97 2dkk n ASP 342 Cb 0.58 0.00 0.25 0.00 -1.03 0.00 0.00 41.12 40.92 2dkk n ASP 342 CO 0.00 0.00 0.00 -0.65 -0.11 0.00 0.00 177.20 176.44 2dkk h PRO 343 N 0.00 0.23 -4.19 0.11 0.11 -2.02 -3.47 132.00 122.77 2dkk h PRO 343 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 2dkk h PRO 343 Cb 0.00 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.06 2dkk h PRO 343 CO 0.00 0.15 -0.33 -1.71 -0.21 0.00 0.00 178.00 175.90 2dkk n ASN 344 N -5.20 -5.16 -2.97 -2.05 5.15 -1.26 -4.91 115.26 98.85 2dkk n ASN 344 Ca 0.19 0.40 -0.32 0.00 -0.60 0.00 0.00 54.58 54.24 2dkk n ASN 344 Cb 0.61 -3.32 -0.04 0.00 -0.53 0.00 0.00 39.78 36.49 2dkk n ASN 344 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2dkk n PRO 345 N -0.22 3.47 -1.01 1.20 -0.04 -1.26 -4.99 135.00 132.16 2dkk n PRO 345 Ca 0.05 -2.64 -0.30 0.00 -0.04 0.00 0.00 63.50 60.57 2dkk n PRO 345 Cb 0.19 -2.43 0.15 0.00 -0.04 0.00 0.00 33.50 31.37 2dkk n PRO 345 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 2dkk s HIS 346 N -0.61 2.08 -0.34 0.54 -3.43 -1.26 -4.95 115.29 107.33 2dkk s HIS 346 Ca 0.59 1.46 0.07 0.00 -0.80 0.00 0.00 55.06 56.38 2dkk s HIS 346 Cb 0.26 -3.17 0.47 0.00 -1.43 0.00 0.00 32.58 28.71 2dkk s HIS 346 CO -0.12 -2.54 1.41 1.28 -2.00 0.00 0.00 174.74 172.77 2dkk n LEU 347 N -4.01 4.78 -0.23 5.38 4.77 -1.26 -4.80 117.00 121.63 2dkk n LEU 347 Ca 0.08 -4.26 0.15 0.00 -0.03 0.00 0.00 56.01 51.95 2dkk n LEU 347 Cb 0.54 -0.55 0.46 0.00 -2.33 0.00 0.00 43.42 41.54 2dkk n LEU 347 CO 0.54 1.66 1.22 0.00 -1.33 0.00 0.00 177.39 179.47 2dkk h ALA 348 N 1.61 2.04 -0.60 -1.18 0.00 -1.88 -0.42 119.26 118.83 2dkk h ALA 348 Ca 0.31 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2dkk h ALA 348 Cb 1.41 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2dkk h ALA 348 CO 0.66 -0.29 0.00 0.66 0.00 0.00 0.00 179.25 180.28 2dkk n TYR 349 N -4.52 1.61 -2.83 0.00 4.02 -1.26 -5.06 117.16 109.12 2dkk n TYR 349 Ca 0.17 -0.61 0.00 0.00 -0.01 0.00 0.00 57.90 57.45 2dkk n TYR 349 Cb 0.56 -0.32 0.00 0.00 -0.02 0.00 0.00 39.34 39.56 2dkk n TYR 349 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2dkk n GLY 350 N 0.95 -2.14 3.38 2.72 0.00 -0.17 -1.34 105.19 108.60 2dkk n GLY 350 Ca 0.25 -1.54 -0.13 0.00 0.00 0.00 0.00 46.02 44.60 2dkk n GLY 350 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2dkk s ASN 351 N -3.62 -0.42 0.00 1.61 3.04 -1.26 -4.84 114.94 109.45 2dkk s ASN 351 Ca 0.00 0.06 0.00 0.00 0.04 0.00 0.00 52.86 52.96 2dkk s ASN 351 Cb 0.00 0.50 0.00 0.00 -1.54 0.00 0.00 41.25 40.21 2dkk s ASN 351 CO 0.00 -0.78 0.00 0.61 -3.04 0.00 0.00 177.10 173.89 2dkk n GLY 352 N 0.19 -1.81 0.06 1.21 0.00 -1.26 -4.25 105.19 99.33 2dkk n GLY 352 Ca -0.18 -1.87 0.12 0.00 0.00 0.00 0.00 46.02 44.10 2dkk n GLY 352 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2dkk n HIS 353 N 0.00 0.49 0.14 1.61 1.44 -1.26 -2.73 115.22 114.91 2dkk n HIS 353 Ca 0.00 0.16 0.06 0.00 -2.01 0.00 0.00 57.72 55.93 2dkk n HIS 353 Cb 0.00 -0.76 0.23 0.00 0.12 0.00 0.00 29.99 29.58 2dkk n HIS 353 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2dkk n HIS 354 N -1.92 0.99 -1.62 -1.40 8.25 -1.26 -4.95 115.22 113.31 2dkk n HIS 354 Ca 0.05 -0.39 -0.41 0.00 -0.26 0.00 0.00 57.72 56.71 2dkk n HIS 354 Cb 0.32 -0.18 0.02 0.00 1.12 0.00 0.00 29.99 31.26 2dkk n HIS 354 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2dkk n PHE 355 N 0.64 1.22 -1.66 4.41 7.35 -1.11 -4.76 117.46 123.55 2dkk n PHE 355 Ca 0.17 0.53 -0.56 0.00 -0.76 0.00 0.00 57.45 56.83 2dkk n PHE 355 Cb 0.63 -2.23 -0.07 0.00 0.35 0.00 0.00 39.48 38.16 2dkk n PHE 355 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2dkk h THR 357 N 5.54 1.12 -0.62 0.00 2.02 -1.92 -2.73 112.91 116.33 2dkk h THR 357 Ca -0.43 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.41 2dkk h THR 357 Cb 1.32 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 68.40 2dkk h THR 357 CO 0.97 0.14 0.00 0.61 0.37 0.00 0.00 175.52 177.61 2dkk n GLY 358 N -1.31 2.88 0.37 2.16 0.00 -1.26 -4.68 105.19 103.34 2dkk n GLY 358 Ca 0.02 -0.90 -0.10 0.00 0.00 0.00 0.00 46.02 45.04 2dkk n GLY 358 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dkk h ALA 359 N 4.08 -0.39 -0.84 4.61 0.00 -1.84 0.51 119.26 125.38 2dkk h ALA 359 Ca 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2dkk h ALA 359 Cb 1.72 0.75 -0.04 0.00 0.00 0.00 0.00 17.79 20.21 2dkk h ALA 359 CO 0.36 -0.83 0.50 0.28 0.00 0.00 0.00 179.25 179.56 2dkk h VAL 360 N -0.37 1.23 -0.13 0.00 2.07 -1.83 -0.27 116.25 116.96 2dkk h VAL 360 Ca 0.12 -0.52 -0.05 0.00 0.82 0.00 0.00 66.70 67.07 2dkk h VAL 360 Cb 0.58 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 2dkk h VAL 360 CO -0.47 0.25 -0.10 0.25 0.02 0.00 0.00 177.57 177.52 2dkk h LEU 361 N 1.16 0.31 -1.23 2.57 5.85 -1.64 -2.34 115.31 120.01 2dkk h LEU 361 Ca 0.30 -0.46 0.04 0.00 0.84 0.00 0.00 57.88 58.61 2dkk h LEU 361 Cb -0.04 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 40.85 2dkk h LEU 361 CO -0.06 0.71 0.54 0.00 -0.34 0.00 0.00 178.44 179.29 2dkk h ALA 362 N 0.62 1.53 -0.26 1.25 0.00 0.31 -1.91 119.26 120.80 2dkk h ALA 362 Ca 0.02 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2dkk h ALA 362 Cb 0.61 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2dkk h ALA 362 CO 0.03 0.37 -0.01 -0.09 0.00 0.00 0.00 179.25 179.55 2dkk h ARG 363 N 0.98 0.47 -0.59 0.00 9.65 -0.93 -0.94 114.38 123.02 2dkk h ARG 363 Ca 0.34 -0.16 0.03 0.00 -1.10 0.00 0.00 59.98 59.08 2dkk h ARG 363 Cb 0.10 -0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 28.60 2dkk h ARG 363 CO -0.11 0.65 0.36 1.98 2.80 0.00 0.00 179.97 185.66 2dkk h MET 364 N 0.25 0.70 -0.20 0.20 4.05 -0.99 -0.93 114.93 118.00 2dkk h MET 364 Ca 0.07 -0.04 -0.00 0.00 -0.28 0.00 0.00 59.70 59.45 2dkk h MET 364 Cb 0.45 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 31.08 2dkk h MET 364 CO 0.02 0.46 0.12 1.96 0.23 0.00 0.00 176.91 179.69 2dkk h GLN 365 N 0.72 0.27 -0.44 0.39 4.20 -1.20 -1.67 115.11 117.38 2dkk h GLN 365 Ca 0.24 -0.03 0.07 0.00 0.06 0.00 0.00 58.65 58.99 2dkk h GLN 365 Cb 0.02 -0.06 -0.06 0.00 0.30 0.00 0.00 27.48 27.68 2dkk h GLN 365 CO -0.10 0.24 0.09 1.15 -0.67 0.00 0.00 178.83 179.54 2dkk h THR 366 N 0.23 0.77 -0.76 -0.54 2.02 -0.75 0.12 112.91 114.00 2dkk h THR 366 Ca 0.07 -0.08 -0.04 0.00 0.77 0.00 0.00 66.41 67.13 2dkk h THR 366 Cb 0.04 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 66.94 2dkk h THR 366 CO -0.01 0.04 0.31 -0.33 0.37 0.00 0.00 175.52 175.90 2dkk h GLU 367 N 0.23 1.13 0.72 6.66 5.08 -0.97 -1.79 114.58 125.64 2dkk h GLU 367 Ca 0.22 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 2dkk h GLU 367 Cb 0.27 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.34 2dkk h GLU 367 CO -0.28 0.92 -0.35 -0.07 -1.00 0.00 0.00 179.01 178.23 2dkk h LEU 368 N 1.09 -0.82 -0.58 1.33 3.38 -0.69 -1.55 115.31 117.46 2dkk h LEU 368 Ca 0.25 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.29 2dkk h LEU 368 Cb 0.21 0.21 -0.09 0.00 0.09 0.00 0.00 40.66 41.08 2dkk h LEU 368 CO -0.02 -0.52 -0.54 -0.07 0.09 0.00 0.00 178.44 177.38 2dkk h LEU 369 N -1.08 -1.88 -0.37 1.67 3.38 -0.69 0.33 115.31 116.67 2dkk h LEU 369 Ca -0.10 0.26 0.01 0.00 0.09 0.00 0.00 57.88 58.14 2dkk h LEU 369 Cb 0.76 0.79 -0.02 0.00 0.09 0.00 0.00 40.66 42.29 2dkk h LEU 369 CO 0.16 -0.33 0.23 0.58 0.09 0.00 0.00 178.44 179.18 2dkk h VAL 370 N -0.25 1.07 -0.01 1.22 2.07 -1.36 0.06 116.25 119.06 2dkk h VAL 370 Ca 0.10 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 2dkk h VAL 370 Cb 0.51 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 2dkk h VAL 370 CO -0.68 0.09 0.00 0.44 0.02 0.00 0.00 177.57 177.44 2dkk h ASP 371 N 0.48 0.01 -0.66 0.57 3.32 -0.76 -2.26 116.42 117.11 2dkk h ASP 371 Ca 0.14 -0.15 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 2dkk h ASP 371 Cb -0.03 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 2dkk h ASP 371 CO -0.05 0.16 0.11 0.74 -1.72 0.00 0.00 179.24 178.48 2dkk h THR 372 N -0.13 1.26 -0.38 0.35 2.02 -0.24 -2.16 112.91 113.63 2dkk h THR 372 Ca 0.00 -1.02 -0.08 0.00 0.77 0.00 0.00 66.41 66.08 2dkk h THR 372 Cb 0.15 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 2dkk h THR 372 CO -0.00 0.38 -0.08 -0.07 0.37 0.00 0.00 175.52 176.12 2dkk h LEU 373 N 1.01 0.73 -1.06 2.58 3.38 -0.99 0.02 115.31 120.99 2dkk h LEU 373 Ca 0.20 -0.36 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 2dkk h LEU 373 Cb 0.43 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 2dkk h LEU 373 CO 0.01 0.92 -0.07 -0.07 0.09 0.00 0.00 178.44 179.31 2dkk h LEU 374 N 0.54 0.56 0.16 1.67 3.38 -1.37 -1.94 115.31 118.32 2dkk h LEU 374 Ca 0.10 -0.14 -0.32 0.00 0.09 0.00 0.00 57.88 57.62 2dkk h LEU 374 Cb 0.59 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.20 2dkk h LEU 374 CO 0.04 0.68 -1.51 1.05 0.09 0.00 0.00 178.44 178.79 2dkk h GLU 375 N 0.55 0.35 -0.00 1.13 4.11 -1.29 -3.39 114.58 116.04 2dkk h GLU 375 Ca 0.10 -0.60 0.00 0.00 0.07 0.00 0.00 59.36 58.94 2dkk h GLU 375 Cb 0.46 0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2dkk h GLU 375 CO 0.02 1.25 -0.50 0.54 0.07 0.00 0.00 179.01 180.39 2dkk n ARG 376 N -3.55 0.38 -3.76 1.06 5.12 -0.01 -4.49 116.66 111.41 2dkk n ARG 376 Ca -0.16 -0.25 -0.28 0.00 -1.93 0.00 0.00 57.85 55.23 2dkk n ARG 376 Cb 1.06 -1.49 -0.11 0.00 -1.16 0.00 0.00 32.46 30.76 2dkk n ARG 376 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2dkk n LEU 377 N -1.09 3.20 -4.74 0.55 4.77 -0.73 -5.05 117.00 113.90 2dkk n LEU 377 Ca 0.08 -5.27 -0.42 0.00 -0.03 0.00 0.00 56.01 50.37 2dkk n LEU 377 Cb 0.35 -0.71 -0.01 0.00 -2.33 0.00 0.00 43.42 40.72 2dkk n LEU 377 CO 0.33 1.85 1.17 -0.81 -1.33 0.00 0.00 177.39 178.59 2dkk n PRO 378 N 1.64 2.60 -2.14 3.23 -0.04 -1.26 -2.44 135.00 136.58 2dkk n PRO 378 Ca 0.23 0.92 -0.15 0.00 -0.04 0.00 0.00 63.50 64.45 2dkk n PRO 378 Cb 0.37 -2.66 -0.02 0.00 -0.04 0.00 0.00 33.50 31.15 2dkk n PRO 378 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dkk n GLY 379 N 1.59 0.07 3.67 0.55 0.00 -1.26 -1.10 105.19 108.71 2dkk n GLY 379 Ca 0.07 -0.25 -0.47 0.00 0.00 0.00 0.00 46.02 45.37 2dkk n GLY 379 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2dkk n LEU 380 N -2.13 3.19 -3.75 0.99 7.94 -1.02 -4.42 117.00 117.79 2dkk n LEU 380 Ca -0.18 1.05 -0.10 0.00 -1.11 0.00 0.00 56.01 55.67 2dkk n LEU 380 Cb 0.62 -1.41 -0.06 0.00 0.53 0.00 0.00 43.42 43.09 2dkk n LEU 380 CO 0.22 -0.23 0.03 -0.13 -1.11 0.00 0.00 177.39 176.17 2dkk s ARG 381 N 1.90 0.90 0.38 1.96 0.52 -0.84 -5.01 118.95 118.75 2dkk s ARG 381 Ca 0.83 -0.71 -0.27 0.00 -0.52 0.00 0.00 55.73 55.06 2dkk s ARG 381 Cb -0.69 0.38 -0.10 0.00 0.52 0.00 0.00 34.95 35.07 2dkk s ARG 381 CO 0.42 -0.31 1.38 -0.51 0.02 0.00 0.00 175.30 176.31 2dkk s LEU 382 N -2.54 4.30 0.00 2.53 1.43 -1.26 -1.33 118.68 121.81 2dkk s LEU 382 Ca 0.01 2.84 0.26 0.00 -1.03 0.00 0.00 54.13 56.21 2dkk s LEU 382 Cb 0.02 -3.75 0.71 0.00 0.03 0.00 0.00 46.19 43.20 2dkk s LEU 382 CO -0.08 -0.81 1.54 0.00 0.23 0.00 0.00 176.35 177.23 2dkk n ALA 383 N 0.40 3.16 -2.42 4.21 0.00 0.21 -4.69 120.51 121.38 2dkk n ALA 383 Ca 0.02 -0.40 -0.09 0.00 0.00 0.00 0.00 53.44 52.97 2dkk n ALA 383 Cb 0.41 -1.13 -0.08 0.00 0.00 0.00 0.00 19.45 18.65 2dkk n ALA 383 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2dkk s VAL 384 N -2.58 0.10 0.48 0.00 -7.23 -1.26 -4.99 120.40 104.91 2dkk s VAL 384 Ca 0.22 -1.61 -0.23 0.00 -1.81 0.00 0.00 61.98 58.55 2dkk s VAL 384 Cb 0.19 -1.83 -0.07 0.00 0.56 0.00 0.00 36.38 35.23 2dkk s VAL 384 CO 0.55 -0.47 1.29 -2.84 -0.31 0.00 0.00 175.10 173.32 2dkk s PRO 385 N -3.98 3.59 0.42 4.82 0.02 -1.26 -4.88 135.00 133.72 2dkk s PRO 385 Ca 0.18 2.08 0.14 0.00 0.02 0.00 0.00 61.00 63.42 2dkk s PRO 385 Cb 0.06 -2.46 1.01 0.00 0.02 0.00 0.00 34.50 33.12 2dkk s PRO 385 CO -0.01 -0.78 1.93 0.00 -0.33 0.00 0.00 177.00 177.81 2dkk h ALA 386 N 2.02 2.04 -0.08 -1.55 0.00 -1.98 0.15 119.26 119.87 2dkk h ALA 386 Ca -0.50 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.43 2dkk h ALA 386 Cb 1.27 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 2dkk h ALA 386 CO 0.60 -0.22 0.19 1.49 0.00 0.00 0.00 179.25 181.31 2dkk h GLU 387 N 0.46 0.00 -0.01 0.00 4.81 -1.92 0.34 114.58 118.26 2dkk h GLU 387 Ca 0.35 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.58 2dkk h GLU 387 Cb 0.72 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.10 2dkk h GLU 387 CO -0.11 0.00 -0.02 1.04 -0.73 0.00 0.00 179.01 179.18 2dkk n GLN 388 N -3.30 1.54 -3.31 1.92 6.02 0.54 -4.76 117.38 116.02 2dkk n GLN 388 Ca -0.01 -0.85 -0.41 0.00 -0.01 0.00 0.00 57.00 55.72 2dkk n GLN 388 Cb 0.28 -1.48 -0.08 0.00 1.02 0.00 0.00 30.24 29.97 2dkk n GLN 388 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2dkk s VAL 389 N -2.05 5.09 0.27 5.09 1.01 0.11 -5.03 120.40 124.89 2dkk s VAL 389 Ca 0.37 0.20 -0.19 0.00 0.00 0.00 0.00 61.98 62.37 2dkk s VAL 389 Cb 0.21 -3.90 -0.09 0.00 0.00 0.00 0.00 36.38 32.60 2dkk s VAL 389 CO 0.35 -0.16 0.75 0.00 0.00 0.00 0.00 175.10 176.05 2dkk s ALA 390 N 2.22 3.35 0.25 5.51 0.00 -1.26 -4.82 121.76 127.01 2dkk s ALA 390 Ca 0.15 0.16 0.07 0.00 0.00 0.00 0.00 51.96 52.34 2dkk s ALA 390 Cb -0.16 -2.84 -0.04 0.00 0.00 0.00 0.00 23.12 20.08 2dkk s ALA 390 CO 0.12 0.31 0.21 -1.58 0.00 0.00 0.00 175.76 174.83 2dkk s TRP 391 N -1.72 3.15 0.27 0.00 0.52 -1.26 -1.24 118.94 118.67 2dkk s TRP 391 Ca 0.48 -0.10 -0.30 0.00 0.02 0.00 0.00 56.10 56.20 2dkk s TRP 391 Cb -0.14 -1.42 -0.10 0.00 -1.15 0.00 0.00 33.47 30.65 2dkk s TRP 391 CO 0.20 0.51 1.48 1.03 0.02 0.00 0.00 176.95 180.19 2dkk s ARG 392 N -3.85 4.22 0.17 4.98 0.52 -0.34 -4.80 118.95 119.85 2dkk s ARG 392 Ca 0.33 2.39 0.07 0.00 -0.52 0.00 0.00 55.73 58.00 2dkk s ARG 392 Cb -0.08 -3.08 -0.04 0.00 0.52 0.00 0.00 34.95 32.27 2dkk s ARG 392 CO 0.25 -0.48 -0.14 1.03 0.02 0.00 0.00 175.30 175.98 2dkk s ARG 393 N -0.54 1.21 -1.49 3.54 0.52 -1.26 -4.71 118.95 116.21 2dkk s ARG 393 Ca 0.60 -1.46 -0.05 0.00 -0.52 0.00 0.00 55.73 54.29 2dkk s ARG 393 Cb -0.44 -1.02 0.01 0.00 0.52 0.00 0.00 34.95 34.01 2dkk s ARG 393 CO 0.46 0.18 0.67 1.63 0.02 0.00 0.00 175.30 178.26 2dkk n LYS 394 N -0.05 -5.20 -3.77 3.54 5.02 -1.26 -4.87 118.16 111.57 2dkk n LYS 394 Ca -0.11 0.88 -0.11 0.00 -2.02 0.00 0.00 58.31 56.95 2dkk n LYS 394 Cb 0.59 -5.71 -0.08 0.00 -0.02 0.00 0.00 35.03 29.81 2dkk n LYS 394 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2dkk s THR 395 N -3.19 0.09 0.08 -0.18 -1.32 -1.26 -5.03 115.64 104.83 2dkk s THR 395 Ca 0.33 -0.71 -0.24 0.00 -1.21 0.00 0.00 61.69 59.86 2dkk s THR 395 Cb -0.15 -0.93 -0.16 0.00 -1.51 0.00 0.00 72.50 69.76 2dkk s THR 395 CO 0.41 -0.39 1.70 -0.03 -2.21 0.00 0.00 174.62 174.10 2dkk h MET 396 N 3.27 -0.04 -5.73 7.08 4.05 -1.98 -3.40 114.93 118.18 2dkk h MET 396 Ca -0.32 0.00 -0.59 0.00 -0.28 0.00 0.00 59.70 58.52 2dkk h MET 396 Cb 1.20 0.01 -0.09 0.00 -0.80 0.00 0.00 31.60 31.92 2dkk h MET 396 CO 0.46 0.01 0.10 0.42 0.23 0.00 0.00 176.91 178.13 2dkk s ILE 397 N -6.04 5.03 0.44 1.77 1.01 -1.26 0.32 121.20 122.47 2dkk s ILE 397 Ca -0.13 1.22 -0.10 0.00 0.00 0.00 0.00 60.65 61.63 2dkk s ILE 397 Cb 0.06 -3.95 -0.06 0.00 0.01 0.00 0.00 42.46 38.51 2dkk s ILE 397 CO 0.66 0.15 0.81 -0.60 0.00 0.00 0.00 174.94 175.95 2dkk s ARG 398 N 1.64 3.75 0.00 2.79 3.52 0.09 -4.83 118.95 125.91 2dkk s ARG 398 Ca 0.30 0.49 0.00 0.00 -0.13 0.00 0.00 55.73 56.39 2dkk s ARG 398 Cb -0.16 -2.35 0.00 0.00 -1.56 0.00 0.00 34.95 30.88 2dkk s ARG 398 CO 0.11 -0.11 0.00 0.41 -0.81 0.00 0.00 175.30 174.90 2dkk n GLY 399 N -1.55 2.64 3.75 8.12 0.00 -1.26 -4.62 105.19 112.27 2dkk n GLY 399 Ca 0.03 -1.14 -0.41 0.00 0.00 0.00 0.00 46.02 44.49 2dkk n GLY 399 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2dkk s PRO 400 N -2.06 4.28 0.18 1.61 0.02 -1.26 -1.19 135.00 136.58 2dkk s PRO 400 Ca 0.00 2.28 0.04 0.00 0.02 0.00 0.00 61.00 63.34 2dkk s PRO 400 Cb 0.00 -3.11 0.06 0.00 0.02 0.00 0.00 34.50 31.47 2dkk s PRO 400 CO 0.00 -0.39 1.42 0.00 -0.33 0.00 0.00 177.00 177.71 2dkk h ARG 401 N 4.88 0.15 -4.28 5.54 3.08 -1.48 -3.45 114.38 118.82 2dkk h ARG 401 Ca -0.46 -0.16 -0.18 0.00 0.07 0.00 0.00 59.98 59.26 2dkk h ARG 401 Cb 1.22 0.04 -0.13 0.00 0.08 0.00 0.00 29.97 31.18 2dkk h ARG 401 CO 0.76 0.89 -0.48 0.95 -1.07 0.00 0.00 179.97 181.02 2dkk s THR 402 N -3.28 0.02 -0.47 2.04 -4.23 -1.26 -4.80 115.64 103.66 2dkk s THR 402 Ca -0.02 -1.79 0.06 0.00 -1.18 0.00 0.00 61.69 58.76 2dkk s THR 402 Cb 0.11 -2.31 0.20 0.00 1.34 0.00 0.00 72.50 71.83 2dkk s THR 402 CO 0.81 -0.08 0.61 0.18 -0.54 0.00 0.00 174.62 175.60 2dkk n LEU 403 N -0.27 -2.02 -4.64 4.79 4.77 -1.26 -4.86 117.00 113.50 2dkk n LEU 403 Ca -0.01 -3.64 -0.43 0.00 -0.03 0.00 0.00 56.01 51.91 2dkk n LEU 403 Cb 0.64 0.69 -0.03 0.00 -2.33 0.00 0.00 43.42 42.40 2dkk n LEU 403 CO 0.29 1.94 1.52 -2.84 -1.33 0.00 0.00 177.39 176.97 2dkk s PRO 404 N 0.35 3.85 0.22 3.23 0.02 -1.26 -2.04 135.00 139.37 2dkk s PRO 404 Ca 0.32 2.08 0.07 0.00 0.02 0.00 0.00 61.00 63.49 2dkk s PRO 404 Cb 0.07 -4.12 -0.05 0.00 0.02 0.00 0.00 34.50 30.42 2dkk s PRO 404 CO -0.13 -1.26 -0.11 0.00 -0.33 0.00 0.00 177.00 175.17 2dkk s THR 406 N -3.04 0.20 0.19 0.00 -1.32 -0.45 -1.46 115.64 109.77 2dkk s THR 406 Ca 0.24 -2.00 -0.23 0.00 -1.21 0.00 0.00 61.69 58.49 2dkk s THR 406 Cb 0.01 -2.55 0.06 0.00 -1.51 0.00 0.00 72.50 68.51 2dkk s THR 406 CO 0.08 0.00 0.92 -1.66 -2.21 0.00 0.00 174.62 171.75 2dkk s TRP 407 N -3.96 -0.10 0.12 9.09 -2.14 -1.26 -1.99 118.94 118.70 2dkk s TRP 407 Ca 0.38 -0.27 -0.31 0.00 2.66 0.00 0.00 56.10 58.57 2dkk s TRP 407 Cb 0.07 0.67 -0.10 0.00 -3.10 0.00 0.00 33.47 31.01 2dkk s TRP 407 CO 0.13 -0.95 1.76 -1.01 -2.66 0.00 0.00 176.95 174.23 2dkk s HIS 408 N -3.18 2.34 0.05 1.66 3.76 -0.26 -4.80 115.29 114.86 2dkk s HIS 408 Ca 0.13 0.13 -0.00 0.00 -0.15 0.00 0.00 55.06 55.17 2dkk s HIS 408 Cb -0.02 -4.11 -0.00 0.00 1.11 0.00 0.00 32.58 29.55 2dkk s HIS 408 CO 0.04 -4.49 -0.01 1.58 -0.85 0.00 0.00 174.74 171.01 2dkk n HIS 409 N 5.38 0.00 -3.55 1.40 -0.00 -1.26 -4.80 115.22 112.39 2dkk n HIS 409 Ca 0.17 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 58.26 2dkk n HIS 409 Cb 0.38 -0.01 -0.02 0.00 -0.12 0.00 0.00 29.99 30.22 2dkk n HIS 409 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2dkk s HIS 410 N -1.63 -0.36 -2.11 1.57 3.76 -1.26 -5.14 115.29 110.12 2dkk s HIS 410 Ca -0.01 0.15 0.31 0.00 -0.15 0.00 0.00 55.06 55.36 2dkk s HIS 410 Cb 0.00 0.58 1.73 0.00 1.11 0.00 0.00 32.58 35.99 2dkk s HIS 410 CO 0.01 -0.75 2.13 -2.39 -0.85 0.00 0.00 174.74 172.89