#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m0m h GLY 6 N 0.00 -0.37 -5.89 3.38 0.00 -2.04 -3.43 103.07 94.72 1m0m h GLY 6 Ca 0.00 0.24 -0.66 0.00 0.00 0.00 0.00 47.33 46.91 1m0m h GLY 6 CO 0.00 -0.19 0.98 0.54 0.00 0.00 0.00 176.54 177.87 1m0m n ARG 7 N -5.33 1.76 0.20 4.80 1.74 -1.26 -4.84 116.66 113.74 1m0m n ARG 7 Ca -0.06 0.64 0.04 0.00 -0.77 0.00 0.00 57.85 57.70 1m0m n ARG 7 Cb 0.25 -2.42 0.45 0.00 -1.02 0.00 0.00 32.46 29.72 1m0m n ARG 7 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1m0m h PRO 8 N 8.05 0.02 0.00 5.56 0.13 -2.02 -1.38 132.00 142.36 1m0m h PRO 8 Ca -0.47 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1m0m h PRO 8 Cb 1.29 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1m0m h PRO 8 CO 0.94 0.26 0.00 -0.85 -0.23 0.00 0.00 178.00 178.12 1m0m n GLU 9 N -4.25 0.15 -0.31 0.86 0.00 -1.26 -3.54 120.64 112.29 1m0m n GLU 9 Ca -0.02 0.17 0.07 0.00 0.00 0.00 0.00 57.16 57.38 1m0m n GLU 9 Cb 0.30 -1.50 0.22 0.00 0.00 0.00 0.00 31.44 30.46 1m0m n GLU 9 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.13 177.24 1m0m h TRP 10 N 0.00 0.90 -0.39 -1.84 5.08 -1.59 -1.37 115.95 116.73 1m0m h TRP 10 Ca 0.00 0.03 -0.01 0.00 1.08 0.00 0.00 58.89 59.99 1m0m h TRP 10 Cb 0.07 -0.27 -0.02 0.00 -3.00 0.00 0.00 29.16 25.94 1m0m h TRP 10 CO 0.00 0.29 0.19 0.97 -1.28 0.00 0.00 178.44 178.61 1m0m h ILE 11 N 0.76 1.13 -0.04 0.12 6.09 -1.82 0.13 117.51 123.89 1m0m h ILE 11 Ca 0.47 -0.37 -0.18 0.00 -1.37 0.00 0.00 64.86 63.41 1m0m h ILE 11 Cb 0.57 0.63 -0.01 0.00 0.47 0.00 0.00 36.82 38.48 1m0m h ILE 11 CO -0.31 0.15 -0.75 -0.50 -3.07 0.00 0.00 178.15 173.67 1m0m h TRP 12 N 0.54 0.37 -0.30 2.19 -0.00 -1.53 -0.32 115.95 116.90 1m0m h TRP 12 Ca 0.14 -0.17 -0.10 0.00 -0.00 0.00 0.00 58.89 58.75 1m0m h TRP 12 Cb 0.05 -0.05 -0.01 0.00 -0.00 0.00 0.00 29.16 29.15 1m0m h TRP 12 CO 0.00 0.92 -0.25 -0.07 -0.00 0.00 0.00 178.44 179.04 1m0m h LEU 13 N 0.18 0.60 -0.16 -4.49 3.38 -0.89 -1.14 115.31 112.79 1m0m h LEU 13 Ca -0.03 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.67 1m0m h LEU 13 Cb 1.32 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 1m0m h LEU 13 CO 0.12 0.83 -0.15 0.00 0.09 0.00 0.00 178.44 179.33 1m0m h ALA 14 N 1.21 0.23 -0.94 1.53 0.00 -0.60 -0.41 119.26 120.29 1m0m h ALA 14 Ca 0.07 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1m0m h ALA 14 Cb 0.71 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 1m0m h ALA 14 CO 0.05 0.12 0.60 1.25 0.00 0.00 0.00 179.25 181.27 1m0m h LEU 15 N 0.02 1.10 -0.40 0.00 6.46 -1.02 -0.33 115.31 121.14 1m0m h LEU 15 Ca 0.03 -0.05 -0.04 0.00 -0.12 0.00 0.00 57.88 57.70 1m0m h LEU 15 Cb 0.68 -0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 40.32 1m0m h LEU 15 CO 0.04 0.82 0.07 1.23 -0.62 0.00 0.00 178.44 179.98 1m0m h GLY 16 N 1.28 0.70 0.54 3.75 0.00 -1.14 0.17 103.07 108.37 1m0m h GLY 16 Ca 0.34 -0.46 0.04 0.00 0.00 0.00 0.00 47.33 47.25 1m0m h GLY 16 CO -0.07 0.43 -0.10 -0.84 0.00 0.00 0.00 176.54 175.96 1m0m h THR 17 N 0.51 0.70 -0.23 4.70 2.02 -0.80 0.56 112.91 120.37 1m0m h THR 17 Ca 0.12 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.31 1m0m h THR 17 Cb 0.35 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 1m0m h THR 17 CO 0.01 0.00 0.14 0.00 0.37 0.00 0.00 175.52 176.04 1m0m h ALA 18 N 1.04 0.29 -0.38 6.16 0.00 -0.69 -1.16 119.26 124.51 1m0m h ALA 18 Ca 0.09 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1m0m h ALA 18 Cb 0.23 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1m0m h ALA 18 CO -0.22 -0.25 -0.05 -0.07 0.00 0.00 0.00 179.25 178.66 1m0m h LEU 19 N 0.29 0.60 -0.66 0.00 3.38 -0.49 -0.73 115.31 117.70 1m0m h LEU 19 Ca 0.09 -0.14 -0.14 0.00 0.09 0.00 0.00 57.88 57.77 1m0m h LEU 19 Cb -0.02 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1m0m h LEU 19 CO -0.03 0.71 -0.53 0.24 0.09 0.00 0.00 178.44 178.91 1m0m h MET 20 N 0.59 0.37 -0.10 1.13 2.86 -0.64 -1.81 114.93 117.33 1m0m h MET 20 Ca 0.11 -0.23 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 1m0m h MET 20 Cb 0.45 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.13 1m0m h MET 20 CO 0.02 0.81 0.03 0.78 1.06 0.00 0.00 176.91 179.61 1m0m h GLY 21 N 1.26 0.17 1.03 8.32 0.00 -0.85 -1.28 103.07 111.73 1m0m h GLY 21 Ca 0.01 -0.11 -0.04 0.00 0.00 0.00 0.00 47.33 47.19 1m0m h GLY 21 CO 0.09 0.10 0.27 1.41 0.00 0.00 0.00 176.54 178.41 1m0m h LEU 22 N -0.03 0.98 -0.83 3.11 4.07 -1.15 -0.86 115.31 120.58 1m0m h LEU 22 Ca 0.03 -0.18 0.00 0.00 0.08 0.00 0.00 57.88 57.81 1m0m h LEU 22 Cb 0.23 -0.25 -0.04 0.00 1.08 0.00 0.00 40.66 41.68 1m0m h LEU 22 CO -0.00 0.89 0.52 1.23 -1.08 0.00 0.00 178.44 180.00 1m0m h GLY 23 N 1.00 1.19 0.98 0.83 0.00 -1.26 0.17 103.07 105.99 1m0m h GLY 23 Ca 0.23 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1m0m h GLY 23 CO -0.02 0.46 0.03 -0.84 0.00 0.00 0.00 176.54 176.18 1m0m h THR 24 N 1.14 1.03 -0.61 4.70 2.02 -0.83 -1.05 112.91 119.31 1m0m h THR 24 Ca 0.30 -0.07 -0.03 0.00 0.77 0.00 0.00 66.41 67.38 1m0m h THR 24 Cb -0.08 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 67.29 1m0m h THR 24 CO -0.06 0.03 0.28 -0.07 0.37 0.00 0.00 175.52 176.07 1m0m h LEU 25 N 0.05 0.81 -0.38 2.58 3.38 -0.87 -1.64 115.31 119.24 1m0m h LEU 25 Ca 0.02 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 57.88 1m0m h LEU 25 Cb 0.01 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 1m0m h LEU 25 CO -0.00 0.73 0.18 0.22 0.09 0.00 0.00 178.44 179.65 1m0m h TYR 26 N 0.84 0.32 -0.12 1.13 3.20 -0.38 -0.51 116.97 121.45 1m0m h TYR 26 Ca 0.21 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 62.00 1m0m h TYR 26 Cb 0.14 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 1m0m h TYR 26 CO 0.00 0.16 -0.37 0.74 -1.64 0.00 0.00 178.16 177.06 1m0m h PHE 27 N 0.36 0.29 0.23 -3.82 0.04 -1.03 -0.28 116.94 112.74 1m0m h PHE 27 Ca 0.17 -0.07 -0.01 0.00 2.80 0.00 0.00 57.97 60.85 1m0m h PHE 27 Cb 0.09 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.18 1m0m h PHE 27 CO -0.11 0.59 -0.11 -0.07 -0.60 0.00 0.00 178.31 178.00 1m0m h LEU 28 N 0.21 -0.27 -0.58 1.54 3.38 -0.80 0.13 115.31 118.93 1m0m h LEU 28 Ca 0.02 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1m0m h LEU 28 Cb 0.75 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 1m0m h LEU 28 CO 0.06 -0.03 0.37 0.58 0.09 0.00 0.00 178.44 179.50 1m0m h VAL 29 N -0.50 1.16 -0.83 1.22 2.07 -0.96 -2.92 116.25 115.49 1m0m h VAL 29 Ca -0.03 -0.32 0.07 0.00 0.82 0.00 0.00 66.70 67.24 1m0m h VAL 29 Cb 0.38 0.34 -0.06 0.00 -1.52 0.00 0.00 31.29 30.42 1m0m h VAL 29 CO 0.05 0.16 0.50 0.50 0.02 0.00 0.00 177.57 178.80 1m0m h LYS 30 N 0.78 0.88 -0.01 1.57 3.64 -0.90 -1.55 116.57 120.98 1m0m h LYS 30 Ca 0.21 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1m0m h LYS 30 Cb -0.06 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.56 1m0m h LYS 30 CO -0.04 0.58 0.00 0.41 -2.27 0.00 0.00 179.45 178.13 1m0m n GLY 31 N -1.32 -0.63 3.72 5.01 0.00 0.02 -4.80 105.19 107.18 1m0m n GLY 31 Ca 0.12 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 1m0m n GLY 31 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1m0m s MET 32 N -2.00 4.26 0.00 1.61 -1.94 -0.59 -2.72 119.30 117.93 1m0m s MET 32 Ca 0.44 2.24 0.00 0.00 -1.71 0.00 0.00 55.69 56.66 1m0m s MET 32 Cb 0.21 -3.19 0.00 0.00 2.01 0.00 0.00 34.83 33.86 1m0m s MET 32 CO 0.35 -0.53 0.00 0.41 -0.01 0.00 0.00 175.02 175.24 1m0m n GLY 33 N 3.61 2.20 3.64 -0.03 0.00 -1.26 -5.07 105.19 108.29 1m0m n GLY 33 Ca 0.13 -0.26 -0.46 0.00 0.00 0.00 0.00 46.02 45.43 1m0m n GLY 33 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1m0m n VAL 34 N 0.00 0.86 0.00 1.61 0.31 -1.10 -4.89 118.33 115.12 1m0m n VAL 34 Ca 0.00 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 1m0m n VAL 34 Cb 0.00 -1.28 0.00 0.00 -0.91 0.00 0.00 33.84 31.65 1m0m n VAL 34 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1m0m n SER 35 N 2.19 0.75 -4.59 4.52 3.41 -1.26 -4.92 113.62 113.72 1m0m n SER 35 Ca 0.13 -0.25 -0.42 0.00 -0.26 0.00 0.00 58.87 58.07 1m0m n SER 35 Cb 0.29 0.66 -0.03 0.00 -0.26 0.00 0.00 64.21 64.87 1m0m n SER 35 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1m0m s ASP 36 N -0.81 5.59 0.52 4.04 2.15 -1.26 -4.84 116.67 122.07 1m0m s ASP 36 Ca 0.00 1.37 0.30 0.00 0.43 0.00 0.00 52.55 54.65 1m0m s ASP 36 Cb 0.00 -2.52 1.44 0.00 -0.30 0.00 0.00 42.92 41.54 1m0m s ASP 36 CO 0.00 -1.93 1.88 -0.65 -0.17 0.00 0.00 175.17 174.30 1m0m h PRO 37 N 14.23 0.05 -0.17 4.34 0.11 -1.97 0.17 132.00 148.76 1m0m h PRO 37 Ca -0.34 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.68 1m0m h PRO 37 Cb 1.20 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1m0m h PRO 37 CO 1.04 0.03 -0.22 -0.44 -0.21 0.00 0.00 178.00 178.20 1m0m h ASP 38 N 0.05 0.49 -0.48 -2.05 5.19 -1.88 -2.84 116.42 114.89 1m0m h ASP 38 Ca 0.43 -0.51 0.05 0.00 -0.62 0.00 0.00 57.03 56.39 1m0m h ASP 38 Cb 1.65 -0.14 -0.05 0.00 0.18 0.00 0.00 39.33 40.97 1m0m h ASP 38 CO -0.03 0.90 0.22 0.00 -3.12 0.00 0.00 179.24 177.21 1m0m h ALA 39 N 0.60 0.61 -0.98 3.45 0.00 -0.61 -1.80 119.26 120.53 1m0m h ALA 39 Ca 0.02 0.04 0.22 0.00 0.00 0.00 0.00 54.91 55.19 1m0m h ALA 39 Cb 0.78 -0.03 -0.12 0.00 0.00 0.00 0.00 17.79 18.43 1m0m h ALA 39 CO 0.05 -0.15 0.57 0.87 0.00 0.00 0.00 179.25 180.59 1m0m h LYS 40 N 0.43 0.60 -0.24 0.00 1.57 -0.71 0.68 116.57 118.89 1m0m h LYS 40 Ca 0.22 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.94 1m0m h LYS 40 Cb 0.17 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1m0m h LYS 40 CO -0.18 0.40 0.08 0.87 -0.57 0.00 0.00 179.45 180.04 1m0m h LYS 41 N 0.62 0.38 -0.66 3.15 1.57 -1.08 0.65 116.57 121.19 1m0m h LYS 41 Ca 0.61 -0.08 -0.07 0.00 -1.87 0.00 0.00 60.65 59.24 1m0m h LYS 41 Cb 1.08 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.31 1m0m h LYS 41 CO -0.45 0.46 0.14 0.74 -0.57 0.00 0.00 179.45 179.77 1m0m h PHE 42 N 0.23 1.12 -0.52 -1.35 0.04 -1.10 -0.95 116.94 114.41 1m0m h PHE 42 Ca 0.08 -0.13 -0.10 0.00 2.80 0.00 0.00 57.97 60.62 1m0m h PHE 42 Cb 0.24 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 38.06 1m0m h PHE 42 CO 0.00 0.92 -0.06 1.88 -0.60 0.00 0.00 178.31 180.46 1m0m h TYR 43 N 1.01 1.01 0.07 -0.55 0.05 -0.79 0.22 116.97 117.99 1m0m h TYR 43 Ca 0.21 -0.18 -0.00 0.00 0.05 0.00 0.00 58.73 58.80 1m0m h TYR 43 Cb 0.38 -0.26 0.00 0.00 1.01 0.00 0.00 36.73 37.86 1m0m h TYR 43 CO 0.03 0.94 -0.03 0.00 -1.05 0.00 0.00 178.16 178.04 1m0m h ALA 44 N 1.09 -0.09 -0.57 3.88 0.00 -0.53 -0.86 119.26 122.18 1m0m h ALA 44 Ca 0.15 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1m0m h ALA 44 Cb 0.58 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 1m0m h ALA 44 CO 0.03 -0.40 0.31 0.82 0.00 0.00 0.00 179.25 180.01 1m0m h ILE 45 N -0.39 0.97 0.00 0.00 2.04 -1.16 -1.52 117.51 117.44 1m0m h ILE 45 Ca -0.01 -0.20 -0.06 0.00 1.00 0.00 0.00 64.86 65.59 1m0m h ILE 45 Cb 0.34 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 1m0m h ILE 45 CO 0.01 0.11 -0.27 0.74 0.00 0.00 0.00 178.15 178.74 1m0m h THR 46 N 0.58 0.52 0.05 -0.27 2.02 -0.81 -2.85 112.91 112.16 1m0m h THR 46 Ca 0.25 -1.47 -0.26 0.00 0.77 0.00 0.00 66.41 65.71 1m0m h THR 46 Cb 0.15 2.04 -0.02 0.00 -1.74 0.00 0.00 68.15 68.58 1m0m h THR 46 CO -0.16 0.26 -1.29 0.74 0.37 0.00 0.00 175.52 175.44 1m0m h THR 47 N 0.00 1.40 -0.33 3.16 2.02 -0.92 -3.35 112.91 114.89 1m0m h THR 47 Ca -0.00 -3.09 -0.09 0.00 0.77 0.00 0.00 66.41 63.99 1m0m h THR 47 Cb 1.02 2.77 -0.02 0.00 -1.74 0.00 0.00 68.15 70.19 1m0m h THR 47 CO 0.03 0.84 -0.17 -0.07 0.37 0.00 0.00 175.52 176.53 1m0m h LEU 48 N 0.03 0.60 0.35 2.58 3.38 -1.15 -2.55 115.31 118.55 1m0m h LEU 48 Ca -0.13 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.64 1m0m h LEU 48 Cb 1.90 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.50 1m0m h LEU 48 CO 0.14 0.78 -0.17 0.58 0.09 0.00 0.00 178.44 179.87 1m0m h VAL 49 N 0.55 0.67 0.00 1.22 2.07 -1.63 -0.45 116.25 118.67 1m0m h VAL 49 Ca 0.09 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 1m0m h VAL 49 Cb 0.60 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1m0m h VAL 49 CO 0.04 0.02 -0.10 1.55 0.02 0.00 0.00 177.57 179.11 1m0m h PRO 50 N -0.53 0.00 -0.37 1.57 0.13 -1.75 -1.40 132.00 129.66 1m0m h PRO 50 Ca -0.05 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.06 1m0m h PRO 50 Cb 0.40 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.51 1m0m h PRO 50 CO 0.08 0.10 0.14 0.00 -0.23 0.00 0.00 178.00 178.08 1m0m h ALA 51 N 1.90 0.48 -0.43 -0.56 0.00 -1.00 0.13 119.26 119.78 1m0m h ALA 51 Ca -0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1m0m h ALA 51 Cb 0.66 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1m0m h ALA 51 CO 0.01 0.09 0.14 0.82 0.00 0.00 0.00 179.25 180.31 1m0m h ILE 52 N 0.45 1.22 -0.69 0.00 2.04 -0.92 -2.23 117.51 117.36 1m0m h ILE 52 Ca 0.12 -0.72 0.02 0.00 1.00 0.00 0.00 64.86 65.28 1m0m h ILE 52 Cb 0.20 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 1m0m h ILE 52 CO -0.01 0.26 0.46 0.00 0.00 0.00 0.00 178.15 178.86 1m0m h ALA 53 N 0.99 1.57 -0.01 1.87 0.00 -1.07 -1.59 119.26 121.02 1m0m h ALA 53 Ca 0.14 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1m0m h ALA 53 Cb 0.26 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1m0m h ALA 53 CO -0.00 0.37 -0.16 0.35 0.00 0.00 0.00 179.25 179.81 1m0m h PHE 54 N 0.87 -0.43 -0.40 0.00 3.57 -0.49 0.41 116.94 120.48 1m0m h PHE 54 Ca 0.27 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.75 1m0m h PHE 54 Cb -0.00 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 1m0m h PHE 54 CO -0.00 -0.24 0.09 1.79 -2.23 0.00 0.00 178.31 177.72 1m0m h THR 55 N -0.27 1.18 -0.02 4.41 1.35 -0.72 -0.72 112.91 118.13 1m0m h THR 55 Ca 0.05 -0.66 -0.26 0.00 -0.55 0.00 0.00 66.41 65.00 1m0m h THR 55 Cb 0.34 0.79 0.02 0.00 -1.73 0.00 0.00 68.15 67.57 1m0m h THR 55 CO -0.16 0.24 -0.99 0.24 -0.25 0.00 0.00 175.52 174.60 1m0m h MET 56 N 0.57 0.68 -0.80 4.72 2.86 -0.96 -0.86 114.93 121.15 1m0m h MET 56 Ca 0.13 -0.70 0.01 0.00 -2.06 0.00 0.00 59.70 57.08 1m0m h MET 56 Cb 0.23 0.19 -0.04 0.00 0.06 0.00 0.00 31.60 32.04 1m0m h MET 56 CO -0.00 1.29 0.53 1.88 1.06 0.00 0.00 176.91 181.66 1m0m h TYR 57 N 0.40 1.00 -0.55 -0.22 -1.99 -0.09 -1.61 116.97 113.91 1m0m h TYR 57 Ca -0.11 0.02 -0.07 0.00 2.00 0.00 0.00 58.73 60.57 1m0m h TYR 57 Cb 1.64 -0.34 -0.02 0.00 2.00 0.00 0.00 36.73 40.00 1m0m h TYR 57 CO 0.09 0.63 0.07 1.25 -0.00 0.00 0.00 178.16 180.20 1m0m h LEU 58 N 1.08 0.86 -1.54 3.88 5.85 -1.00 0.90 115.31 125.34 1m0m h LEU 58 Ca 0.29 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 1m0m h LEU 58 Cb -0.12 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.68 1m0m h LEU 58 CO -0.07 0.88 -0.05 0.77 -0.34 0.00 0.00 178.44 179.64 1m0m h SER 59 N 0.85 0.21 -0.13 1.25 4.64 -0.78 -0.02 113.55 119.58 1m0m h SER 59 Ca 0.17 -0.03 -0.12 0.00 -0.47 0.00 0.00 61.79 61.34 1m0m h SER 59 Cb 0.41 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1m0m h SER 59 CO 0.01 0.30 -0.40 0.24 -0.87 0.00 0.00 176.83 176.11 1m0m h MET 60 N 0.23 0.49 -0.67 4.77 2.86 -0.53 0.10 114.93 122.19 1m0m h MET 60 Ca 0.05 -0.36 0.08 0.00 -2.06 0.00 0.00 59.70 57.40 1m0m h MET 60 Cb 0.24 0.06 -0.06 0.00 0.06 0.00 0.00 31.60 31.90 1m0m h MET 60 CO 0.01 0.99 0.34 1.25 1.06 0.00 0.00 176.91 180.56 1m0m h LEU 61 N 0.10 0.47 -0.13 1.22 5.85 -0.36 -2.38 115.31 120.06 1m0m h LEU 61 Ca -0.01 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1m0m h LEU 61 Cb 1.03 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.02 1m0m h LEU 61 CO 0.09 0.29 0.00 0.18 -0.34 0.00 0.00 178.44 178.65 1m0m n LEU 62 N -4.85 0.61 0.00 2.25 4.77 -0.06 -4.93 117.00 114.80 1m0m n LEU 62 Ca 0.09 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.65 1m0m n LEU 62 Cb 0.22 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1m0m n LEU 62 CO 0.27 -0.23 0.00 0.61 -1.33 0.00 0.00 177.39 176.71 1m0m n GLY 63 N 1.03 0.40 0.24 -0.72 0.00 -0.80 -4.96 105.19 100.37 1m0m n GLY 63 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 1m0m n GLY 63 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1m0m h TYR 64 N 0.00 1.01 -0.25 1.61 3.20 -1.11 -3.24 116.97 118.19 1m0m h TYR 64 Ca 0.00 -0.33 -0.12 0.00 3.14 0.00 0.00 58.73 61.43 1m0m h TYR 64 Cb 0.00 -0.20 -0.07 0.00 1.54 0.00 0.00 36.73 38.00 1m0m h TYR 64 CO 0.00 1.13 0.15 0.41 -1.64 0.00 0.00 178.16 178.21 1m0m n GLY 65 N 0.24 2.54 3.28 1.82 0.00 -0.33 -4.84 105.19 107.89 1m0m n GLY 65 Ca -0.04 -0.29 -0.30 0.00 0.00 0.00 0.00 46.02 45.39 1m0m n GLY 65 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1m0m s LEU 66 N -0.88 2.05 0.16 0.99 2.96 -1.22 -2.05 118.68 120.68 1m0m s LEU 66 Ca 0.16 -0.45 -0.01 0.00 -0.22 0.00 0.00 54.13 53.61 1m0m s LEU 66 Cb 0.13 -1.27 -0.04 0.00 0.50 0.00 0.00 46.19 45.51 1m0m s LEU 66 CO 0.03 0.29 0.09 0.28 -1.32 0.00 0.00 176.35 175.71 1m0m s THR 67 N -0.48 0.10 -0.19 3.68 -1.32 0.84 -4.92 115.64 113.35 1m0m s THR 67 Ca 0.07 -1.95 -0.07 0.00 -1.21 0.00 0.00 61.69 58.52 1m0m s THR 67 Cb -0.10 -2.25 -0.04 0.00 -1.51 0.00 0.00 72.50 68.60 1m0m s THR 67 CO -0.00 -0.26 0.06 -0.04 -2.21 0.00 0.00 174.62 172.17 1m0m s MET 68 N -4.09 3.93 -0.19 7.08 1.00 -1.26 0.01 119.30 125.78 1m0m s MET 68 Ca 0.31 -0.36 -0.00 0.00 0.00 0.00 0.00 55.69 55.63 1m0m s MET 68 Cb 0.07 -3.23 0.01 0.00 0.00 0.00 0.00 34.83 31.69 1m0m s MET 68 CO 0.06 0.21 -0.16 0.08 0.00 0.00 0.00 175.02 175.21 1m0m s VAL 69 N 0.54 2.41 -0.09 -6.03 1.01 0.34 -4.89 120.40 113.69 1m0m s VAL 69 Ca 0.03 -0.82 -0.30 0.00 0.00 0.00 0.00 61.98 60.89 1m0m s VAL 69 Cb -0.13 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 1m0m s VAL 69 CO 0.01 0.51 1.31 -2.16 0.00 0.00 0.00 175.10 174.77 1m0m s PRO 70 N 1.30 4.27 0.09 2.72 0.04 -1.25 -0.13 135.00 142.03 1m0m s PRO 70 Ca 0.04 1.78 -0.27 0.00 0.04 0.00 0.00 61.00 62.59 1m0m s PRO 70 Cb -0.13 -3.69 0.08 0.00 0.04 0.00 0.00 34.50 30.80 1m0m s PRO 70 CO -0.10 -0.62 1.01 -0.59 0.04 0.00 0.00 177.00 176.75 1m0m s PHE 71 N 2.94 -0.15 -0.56 0.56 -0.12 0.04 -4.48 117.98 116.22 1m0m s PHE 71 Ca 0.59 -0.09 -0.06 0.00 -0.05 0.00 0.00 56.93 57.32 1m0m s PHE 71 Cb -0.26 0.61 0.05 0.00 -0.63 0.00 0.00 43.02 42.79 1m0m s PHE 71 CO 0.21 -0.67 0.16 0.41 -0.05 0.00 0.00 175.22 175.27 1m0m n GLY 72 N -0.43 -0.48 1.47 1.99 0.00 -1.26 -0.81 105.19 105.67 1m0m n GLY 72 Ca -0.07 0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1m0m n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1m0m n GLY 73 N -0.69 2.94 3.57 -0.02 0.00 -1.26 -5.03 105.19 104.70 1m0m n GLY 73 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 1m0m n GLY 73 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1m0m s GLU 74 N -0.61 1.99 -0.58 1.61 -1.05 0.01 -5.10 118.70 114.97 1m0m s GLU 74 Ca 0.00 -2.23 -0.19 0.00 -0.15 0.00 0.00 54.97 52.40 1m0m s GLU 74 Cb 0.00 -0.80 0.10 0.00 -0.44 0.00 0.00 34.13 32.99 1m0m s GLU 74 CO 0.00 -0.46 0.69 -0.65 0.95 0.00 0.00 175.26 175.79 1m0m s GLN 75 N -3.74 3.05 -0.30 -4.83 -1.52 -1.26 -0.78 119.66 110.28 1m0m s GLN 75 Ca 0.20 -1.29 -0.17 0.00 -1.95 0.00 0.00 55.36 52.14 1m0m s GLN 75 Cb 0.02 -4.25 -0.02 0.00 -0.22 0.00 0.00 33.01 28.54 1m0m s GLN 75 CO 0.12 -1.50 0.47 -0.80 -0.25 0.00 0.00 175.29 173.33 1m0m s ASN 76 N 3.53 6.33 0.09 5.90 0.01 0.81 -4.83 114.94 126.78 1m0m s ASN 76 Ca 0.11 0.24 -0.31 0.00 -0.71 0.00 0.00 52.86 52.20 1m0m s ASN 76 Cb -0.24 -2.25 -0.10 0.00 0.41 0.00 0.00 41.25 39.07 1m0m s ASN 76 CO 0.07 -0.33 1.89 -2.16 -1.51 0.00 0.00 177.10 175.06 1m0m s PRO 77 N 2.26 4.14 -0.16 -0.60 0.04 -1.26 -0.51 135.00 138.91 1m0m s PRO 77 Ca 0.18 2.61 0.00 0.00 0.04 0.00 0.00 61.00 63.83 1m0m s PRO 77 Cb -0.16 -3.80 0.03 0.00 0.04 0.00 0.00 34.50 30.61 1m0m s PRO 77 CO 0.11 -0.89 -0.10 0.42 0.04 0.00 0.00 177.00 176.58 1m0m s ILE 78 N 3.38 1.38 -1.22 0.56 -1.09 0.10 -4.92 121.20 119.39 1m0m s ILE 78 Ca 0.84 -0.66 -0.20 0.00 -2.23 0.00 0.00 60.65 58.40 1m0m s ILE 78 Cb -0.45 -1.41 0.02 0.00 -1.58 0.00 0.00 42.46 39.04 1m0m s ILE 78 CO 0.38 0.29 1.76 -0.31 -1.23 0.00 0.00 174.94 175.83 1m0m s TYR 79 N 1.54 2.50 0.45 3.97 2.02 -1.26 -0.11 117.35 126.47 1m0m s TYR 79 Ca 0.02 -0.91 0.31 0.00 -0.37 0.00 0.00 57.07 56.12 1m0m s TYR 79 Cb -0.14 -4.54 1.67 0.00 -0.40 0.00 0.00 41.96 38.55 1m0m s TYR 79 CO -0.09 -1.68 2.14 0.11 -1.57 0.00 0.00 175.55 174.47 1m0m h TRP 80 N 8.56 0.00 0.00 2.71 5.08 -1.84 -2.58 115.95 127.88 1m0m h TRP 80 Ca 0.34 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.31 1m0m h TRP 80 Cb 0.91 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.07 1m0m h TRP 80 CO 1.35 0.07 0.00 0.00 -1.28 0.00 0.00 178.44 178.58 1m0m h ALA 81 N 1.93 1.00 -0.96 0.11 0.00 -1.73 -1.34 119.26 118.28 1m0m h ALA 81 Ca -0.00 0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.99 1m0m h ALA 81 Cb 0.24 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 1m0m h ALA 81 CO 0.01 0.00 0.60 0.00 0.00 0.00 0.00 179.25 179.86 1m0m h ARG 82 N 0.00 1.02 -0.04 0.00 3.08 -1.73 -2.08 114.38 114.64 1m0m h ARG 82 Ca 0.00 -0.06 -0.24 0.00 0.07 0.00 0.00 59.98 59.75 1m0m h ARG 82 Cb 0.36 -0.23 0.01 0.00 0.08 0.00 0.00 29.97 30.19 1m0m h ARG 82 CO 0.00 0.68 -0.92 1.88 -1.07 0.00 0.00 179.97 180.53 1m0m h TYR 83 N 1.05 0.85 -0.95 3.04 0.05 -1.45 -0.93 116.97 118.64 1m0m h TYR 83 Ca 0.43 -0.43 0.12 0.00 0.05 0.00 0.00 58.73 58.89 1m0m h TYR 83 Cb 0.27 -0.11 -0.08 0.00 1.01 0.00 0.00 36.73 37.82 1m0m h TYR 83 CO -0.01 1.26 0.58 0.00 -1.05 0.00 0.00 178.16 178.93 1m0m h ALA 84 N 0.61 1.41 0.92 3.88 0.00 -1.43 0.21 119.26 124.86 1m0m h ALA 84 Ca -0.09 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1m0m h ALA 84 Cb 1.56 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 19.18 1m0m h ALA 84 CO 0.17 0.17 -0.46 0.22 0.00 0.00 0.00 179.25 179.35 1m0m h ASP 85 N 0.92 -1.11 -0.21 0.00 1.82 -1.15 -3.19 116.42 113.50 1m0m h ASP 85 Ca 0.47 0.04 0.01 0.00 -0.39 0.00 0.00 57.03 57.16 1m0m h ASP 85 Cb 0.47 0.30 -0.01 0.00 0.68 0.00 0.00 39.33 40.77 1m0m h ASP 85 CO -0.27 -0.77 0.14 -0.50 -1.61 0.00 0.00 179.24 176.23 1m0m h TRP 86 N -1.26 0.24 -0.65 0.28 6.55 -1.02 -0.06 115.95 120.04 1m0m h TRP 86 Ca -0.13 0.01 0.04 0.00 0.95 0.00 0.00 58.89 59.76 1m0m h TRP 86 Cb 0.97 -0.08 -0.04 0.00 -0.86 0.00 0.00 29.16 29.16 1m0m h TRP 86 CO -0.01 0.15 0.43 1.25 -1.05 0.00 0.00 178.44 179.21 1m0m h LEU 87 N 0.26 0.63 0.00 -4.49 5.85 -0.94 -0.58 115.31 116.04 1m0m h LEU 87 Ca 0.08 -0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.46 1m0m h LEU 87 Cb -0.00 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 40.83 1m0m h LEU 87 CO -0.02 0.43 -2.15 0.49 -0.34 0.00 0.00 178.44 176.85 1m0m n PHE 88 N -4.47 0.34 0.03 1.25 3.72 -0.74 -4.43 117.46 113.16 1m0m n PHE 88 Ca 0.08 0.12 -0.13 0.00 -0.05 0.00 0.00 57.45 57.47 1m0m n PHE 88 Cb 0.17 -1.05 -0.14 0.00 -0.94 0.00 0.00 39.48 37.52 1m0m n PHE 88 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1m0m h THR 89 N 0.00 1.09 -0.29 4.37 1.35 -0.85 -3.20 112.91 115.38 1m0m h THR 89 Ca -0.45 -2.81 -0.11 0.00 -0.55 0.00 0.00 66.41 62.49 1m0m h THR 89 Cb 2.14 2.65 -0.01 0.00 -1.73 0.00 0.00 68.15 71.19 1m0m h THR 89 CO 0.05 0.75 -0.27 0.71 -0.25 0.00 0.00 175.52 176.51 1m0m h THR 90 N 0.04 1.27 -0.06 6.82 1.35 -1.33 -1.19 112.91 119.81 1m0m h THR 90 Ca -0.24 -1.34 -0.07 0.00 -0.55 0.00 0.00 66.41 64.21 1m0m h THR 90 Cb 1.98 1.35 -0.01 0.00 -1.73 0.00 0.00 68.15 69.74 1m0m h THR 90 CO 0.13 0.43 -0.31 1.55 -0.25 0.00 0.00 175.52 177.07 1m0m h PRO 91 N 0.50 0.11 -0.51 4.72 0.13 -1.76 -1.83 132.00 133.36 1m0m h PRO 91 Ca 0.07 -0.04 -0.10 0.00 -0.87 0.00 0.00 66.00 65.06 1m0m h PRO 91 Cb 0.73 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.83 1m0m h PRO 91 CO 0.06 0.41 -0.09 -0.07 -0.23 0.00 0.00 178.00 178.08 1m0m h LEU 92 N 0.10 0.92 -0.61 1.56 3.38 -1.49 0.61 115.31 119.78 1m0m h LEU 92 Ca 0.01 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.72 1m0m h LEU 92 Cb 0.59 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1m0m h LEU 92 CO 0.04 1.03 0.39 -0.07 0.09 0.00 0.00 178.44 179.92 1m0m h LEU 93 N 0.83 0.66 -1.21 1.67 3.38 -0.90 -1.68 115.31 118.05 1m0m h LEU 93 Ca 0.14 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 1m0m h LEU 93 Cb 0.62 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1m0m h LEU 93 CO 0.04 0.47 -0.39 -0.07 0.09 0.00 0.00 178.44 178.58 1m0m h LEU 94 N 0.78 0.00 -0.91 1.67 3.38 -0.99 -1.84 115.31 117.40 1m0m h LEU 94 Ca 0.23 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.15 1m0m h LEU 94 Cb -0.04 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1m0m h LEU 94 CO -0.07 0.39 0.21 -0.07 0.09 0.00 0.00 178.44 178.99 1m0m h LEU 95 N 0.00 0.94 -0.26 1.67 3.38 -0.30 0.13 115.31 120.87 1m0m h LEU 95 Ca -0.00 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1m0m h LEU 95 Cb 0.70 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1m0m h LEU 95 CO 0.05 0.88 0.15 0.44 0.09 0.00 0.00 178.44 180.05 1m0m h ASP 96 N 0.98 0.32 -0.17 -0.43 3.32 -0.49 -0.08 116.42 119.87 1m0m h ASP 96 Ca 0.22 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 1m0m h ASP 96 Cb 0.27 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1m0m h ASP 96 CO -0.01 0.30 0.10 -0.07 -1.72 0.00 0.00 179.24 177.84 1m0m h LEU 97 N 0.31 0.20 -1.29 1.55 3.38 -1.14 -2.76 115.31 115.56 1m0m h LEU 97 Ca 0.09 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.03 1m0m h LEU 97 Cb 0.05 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1m0m h LEU 97 CO -0.02 0.18 0.48 0.00 0.09 0.00 0.00 178.44 179.18 1m0m h ALA 98 N 1.03 1.49 -0.20 1.53 0.00 -0.34 -2.77 119.26 120.00 1m0m h ALA 98 Ca 0.06 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1m0m h ALA 98 Cb 0.02 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 1m0m h ALA 98 CO -0.01 0.47 -0.20 -0.07 0.00 0.00 0.00 179.25 179.44 1m0m h LEU 99 N 0.97 0.52 -0.62 0.00 3.38 -1.01 0.11 115.31 118.66 1m0m h LEU 99 Ca 0.27 -0.48 0.13 0.00 0.09 0.00 0.00 57.88 57.88 1m0m h LEU 99 Cb -0.11 -0.15 -0.11 0.00 0.09 0.00 0.00 40.66 40.38 1m0m h LEU 99 CO -0.06 0.89 -0.10 0.25 0.09 0.00 0.00 178.44 179.51 1m0m h LEU 100 N 0.15 -0.48 -1.99 1.67 5.85 -1.30 -1.92 115.31 117.29 1m0m h LEU 100 Ca 0.03 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1m0m h LEU 100 Cb 0.75 0.35 0.00 0.00 0.37 0.00 0.00 40.66 42.13 1m0m h LEU 100 CO 0.05 -0.18 0.00 1.33 -0.34 0.00 0.00 178.44 179.30 1m0m n VAL 101 N -5.38 0.42 -3.51 1.05 0.24 -1.06 -4.95 118.33 105.14 1m0m n VAL 101 Ca 0.08 -0.64 -0.20 0.00 -2.04 0.00 0.00 64.34 61.54 1m0m n VAL 101 Cb 0.34 0.82 0.08 0.00 -1.47 0.00 0.00 33.84 33.62 1m0m n VAL 101 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1m0m n ASP 102 N 1.18 -3.88 -4.62 -1.34 2.03 -0.42 -4.93 116.55 104.57 1m0m n ASP 102 Ca 0.18 -0.59 -0.36 0.00 0.52 0.00 0.00 54.79 54.54 1m0m n ASP 102 Cb 0.53 -5.07 0.08 0.00 -0.72 0.00 0.00 41.12 35.94 1m0m n ASP 102 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1m0m n ALA 103 N -4.51 -0.06 -1.77 -1.67 0.00 -0.11 -4.97 120.51 107.43 1m0m n ALA 103 Ca -0.16 -0.12 -0.39 0.00 0.00 0.00 0.00 53.44 52.76 1m0m n ALA 103 Cb 0.62 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.96 1m0m n ALA 103 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1m0m s ASP 104 N -1.51 6.09 0.32 0.00 1.01 -1.26 -4.88 116.67 116.44 1m0m s ASP 104 Ca 0.75 2.69 0.02 0.00 0.71 0.00 0.00 52.55 56.71 1m0m s ASP 104 Cb -0.37 -2.64 0.58 0.00 1.01 0.00 0.00 42.92 41.51 1m0m s ASP 104 CO 0.49 -1.01 1.95 1.56 0.21 0.00 0.00 175.17 178.37 1m0m h GLN 105 N 2.40 0.92 -0.90 8.23 4.20 -1.99 0.19 115.11 128.17 1m0m h GLN 105 Ca -0.50 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.15 1m0m h GLN 105 Cb 1.26 -0.21 -0.04 0.00 0.30 0.00 0.00 27.48 28.78 1m0m h GLN 105 CO 0.61 0.61 0.56 0.78 -0.67 0.00 0.00 178.83 180.72 1m0m h GLY 106 N 0.95 1.30 1.19 3.46 0.00 -1.99 0.37 103.07 108.34 1m0m h GLY 106 Ca 0.33 -0.52 -0.14 0.00 0.00 0.00 0.00 47.33 46.99 1m0m h GLY 106 CO -0.10 0.51 -0.27 -0.84 0.00 0.00 0.00 176.54 175.83 1m0m h THR 107 N 1.24 1.27 -0.30 4.70 2.02 -1.63 -1.44 112.91 118.77 1m0m h THR 107 Ca 0.33 -1.43 -0.13 0.00 0.77 0.00 0.00 66.41 65.95 1m0m h THR 107 Cb -0.08 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 1m0m h THR 107 CO -0.06 0.49 -0.33 0.40 0.37 0.00 0.00 175.52 176.38 1m0m h ILE 108 N 0.78 1.28 -0.51 3.11 2.04 0.34 -1.99 117.51 122.56 1m0m h ILE 108 Ca 0.09 -1.46 -0.08 0.00 1.00 0.00 0.00 64.86 64.40 1m0m h ILE 108 Cb 0.84 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 38.32 1m0m h ILE 108 CO 0.07 0.47 -0.00 0.25 0.00 0.00 0.00 178.15 178.94 1m0m h LEU 109 N 0.54 0.88 -0.97 1.44 5.85 -0.13 -0.72 115.31 122.22 1m0m h LEU 109 Ca 0.06 -0.31 0.06 0.00 0.84 0.00 0.00 57.88 58.53 1m0m h LEU 109 Cb 0.83 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.56 1m0m h LEU 109 CO 0.07 0.98 0.62 0.00 -0.34 0.00 0.00 178.44 179.77 1m0m h ALA 110 N 0.94 1.33 0.01 1.25 0.00 -1.13 -0.12 119.26 121.54 1m0m h ALA 110 Ca 0.14 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1m0m h ALA 110 Cb 0.53 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1m0m h ALA 110 CO 0.03 0.42 -0.01 -0.07 0.00 0.00 0.00 179.25 179.62 1m0m h LEU 111 N 1.14 -0.01 -0.52 0.00 3.38 -1.01 -0.94 115.31 117.35 1m0m h LEU 111 Ca 0.41 -0.54 0.01 0.00 0.09 0.00 0.00 57.88 57.85 1m0m h LEU 111 Cb 0.14 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1m0m h LEU 111 CO -0.17 0.54 0.34 0.58 0.09 0.00 0.00 178.44 179.82 1m0m h VAL 112 N -0.57 1.10 -0.72 1.22 2.07 -1.08 0.04 116.25 118.32 1m0m h VAL 112 Ca -0.00 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 1m0m h VAL 112 Cb 0.55 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1m0m h VAL 112 CO 0.00 0.12 0.28 1.23 0.02 0.00 0.00 177.57 179.23 1m0m h GLY 113 N 0.68 1.16 1.57 2.17 0.00 -1.06 0.10 103.07 107.69 1m0m h GLY 113 Ca 0.20 -0.64 -0.03 0.00 0.00 0.00 0.00 47.33 46.86 1m0m h GLY 113 CO -0.06 0.60 0.09 0.00 0.00 0.00 0.00 176.54 177.17 1m0m h ALA 114 N 1.13 1.46 -0.46 3.60 0.00 -0.95 -1.47 119.26 122.57 1m0m h ALA 114 Ca 0.24 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1m0m h ALA 114 Cb 0.22 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1m0m h ALA 114 CO -0.02 0.40 -0.26 0.22 0.00 0.00 0.00 179.25 179.59 1m0m h ASP 115 N 0.54 1.02 -0.86 0.00 1.82 -0.45 -0.04 116.42 118.46 1m0m h ASP 115 Ca 0.13 -0.41 0.01 0.00 -0.39 0.00 0.00 57.03 56.37 1m0m h ASP 115 Cb 0.21 -0.28 -0.04 0.00 0.68 0.00 0.00 39.33 39.89 1m0m h ASP 115 CO -0.00 1.21 0.57 1.23 -1.61 0.00 0.00 179.24 180.64 1m0m h GLY 116 N 0.83 1.22 0.98 -0.78 0.00 -0.64 -0.91 103.07 103.78 1m0m h GLY 116 Ca 0.10 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 46.95 1m0m h GLY 116 CO 0.07 0.43 0.20 -2.22 0.00 0.00 0.00 176.54 175.02 1m0m h ILE 117 N 1.16 1.22 -0.23 2.60 2.04 -0.85 0.11 117.51 123.56 1m0m h ILE 117 Ca 0.32 -0.69 0.06 0.00 1.00 0.00 0.00 64.86 65.55 1m0m h ILE 117 Cb -0.11 0.70 -0.07 0.00 -0.74 0.00 0.00 36.82 36.60 1m0m h ILE 117 CO -0.08 0.26 -0.27 -0.03 0.00 0.00 0.00 178.15 178.03 1m0m h MET 118 N 0.71 -0.28 -0.08 2.37 4.05 -0.48 0.63 114.93 121.86 1m0m h MET 118 Ca 0.17 0.02 -0.18 0.00 -0.28 0.00 0.00 59.70 59.43 1m0m h MET 118 Cb 0.21 0.06 0.01 0.00 -0.80 0.00 0.00 31.60 31.09 1m0m h MET 118 CO -0.01 -0.19 -0.65 0.82 0.23 0.00 0.00 176.91 177.11 1m0m h ILE 119 N -0.29 1.35 -0.69 1.77 1.08 -1.08 -1.87 117.51 117.77 1m0m h ILE 119 Ca 0.13 -1.97 -0.04 0.00 -0.39 0.00 0.00 64.86 62.59 1m0m h ILE 119 Cb 0.49 2.27 -0.03 0.00 -3.07 0.00 0.00 36.82 36.48 1m0m h ILE 119 CO -0.39 0.60 0.26 1.23 -0.69 0.00 0.00 178.15 179.15 1m0m h GLY 120 N 0.19 1.11 1.96 5.37 0.00 -0.65 0.34 103.07 111.39 1m0m h GLY 120 Ca -0.06 -0.60 -0.13 0.00 0.00 0.00 0.00 47.33 46.53 1m0m h GLY 120 CO 0.13 0.57 -0.62 -0.91 0.00 0.00 0.00 176.54 175.71 1m0m h THR 121 N 1.01 1.44 -0.79 4.70 1.35 -0.91 -0.68 112.91 119.03 1m0m h THR 121 Ca 0.23 -2.12 -0.02 0.00 -0.55 0.00 0.00 66.41 63.95 1m0m h THR 121 Cb 0.22 2.13 -0.04 0.00 -1.73 0.00 0.00 68.15 68.74 1m0m h THR 121 CO -0.02 0.61 0.41 1.23 -0.25 0.00 0.00 175.52 177.50 1m0m h GLY 122 N 1.80 1.20 1.08 5.82 0.00 -0.76 0.17 103.07 112.38 1m0m h GLY 122 Ca -0.01 -0.57 -0.12 0.00 0.00 0.00 0.00 47.33 46.63 1m0m h GLY 122 CO 0.08 0.55 -0.14 -2.00 0.00 0.00 0.00 176.54 175.03 1m0m h LEU 123 N 1.11 0.99 -0.59 3.11 5.85 -0.60 0.51 115.31 125.69 1m0m h LEU 123 Ca 0.28 -0.37 0.01 0.00 0.84 0.00 0.00 57.88 58.64 1m0m h LEU 123 Cb 0.08 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 1m0m h LEU 123 CO -0.04 1.13 0.39 0.58 -0.34 0.00 0.00 178.44 180.16 1m0m h VAL 124 N 0.84 1.14 -0.77 1.05 2.07 -0.91 -1.59 116.25 118.09 1m0m h VAL 124 Ca 0.12 -0.27 0.07 0.00 0.82 0.00 0.00 66.70 67.44 1m0m h VAL 124 Cb 0.71 0.28 -0.06 0.00 -1.52 0.00 0.00 31.29 30.70 1m0m h VAL 124 CO 0.05 0.15 0.45 1.23 0.02 0.00 0.00 177.57 179.47 1m0m h GLY 125 N 0.79 1.15 2.00 2.17 0.00 -0.59 -1.32 103.07 107.27 1m0m h GLY 125 Ca 0.22 -0.31 -0.07 0.00 0.00 0.00 0.00 47.33 47.17 1m0m h GLY 125 CO -0.05 0.19 -0.31 0.00 0.00 0.00 0.00 176.54 176.36 1m0m h ALA 126 N 1.39 1.41 -0.02 3.60 0.00 -0.17 -2.97 119.26 122.50 1m0m h ALA 126 Ca 0.35 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1m0m h ALA 126 Cb 0.22 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1m0m h ALA 126 CO -0.19 0.39 -0.21 1.28 0.00 0.00 0.00 179.25 180.51 1m0m n LEU 127 N -4.06 2.55 -4.72 0.00 4.77 -0.67 -4.97 117.00 109.90 1m0m n LEU 127 Ca -0.02 -0.88 -0.42 0.00 -0.03 0.00 0.00 56.01 54.66 1m0m n LEU 127 Cb 0.36 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.42 1m0m n LEU 127 CO 0.37 0.44 0.83 -0.89 -1.33 0.00 0.00 177.39 176.81 1m0m s THR 128 N -2.21 4.20 -0.80 -5.08 2.01 -0.54 -4.94 115.64 108.27 1m0m s THR 128 Ca 0.24 1.61 0.25 0.00 0.31 0.00 0.00 61.69 64.10 1m0m s THR 128 Cb 0.19 -4.03 0.06 0.00 0.01 0.00 0.00 72.50 68.73 1m0m s THR 128 CO 0.42 0.14 1.42 0.29 -0.69 0.00 0.00 174.62 176.21 1m0m n LYS 129 N 3.74 0.16 -3.08 4.92 5.02 -1.26 -4.69 118.16 122.97 1m0m n LYS 129 Ca 0.08 0.05 -0.43 0.00 -2.02 0.00 0.00 58.31 55.99 1m0m n LYS 129 Cb 0.47 -1.61 -0.06 0.00 -0.02 0.00 0.00 35.03 33.81 1m0m n LYS 129 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1m0m s VAL 130 N -3.09 4.78 0.16 -0.18 1.01 -1.26 -4.46 120.40 117.35 1m0m s VAL 130 Ca 0.09 -0.03 -0.19 0.00 0.00 0.00 0.00 61.98 61.85 1m0m s VAL 130 Cb 0.15 -4.28 0.06 0.00 0.00 0.00 0.00 36.38 32.31 1m0m s VAL 130 CO 0.69 -0.73 1.66 0.22 0.00 0.00 0.00 175.10 176.94 1m0m h TYR 131 N 8.97 -0.34 -0.50 5.22 3.20 -1.94 -1.33 116.97 130.25 1m0m h TYR 131 Ca -0.26 0.03 0.07 0.00 3.14 0.00 0.00 58.73 61.71 1m0m h TYR 131 Cb 1.09 0.20 -0.03 0.00 1.54 0.00 0.00 36.73 39.53 1m0m h TYR 131 CO 0.76 -0.21 0.33 0.77 -1.64 0.00 0.00 178.16 178.17 1m0m h SER 132 N -0.09 0.35 1.21 -2.11 0.02 -1.98 -1.93 113.55 109.02 1m0m h SER 132 Ca 0.16 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.09 1m0m h SER 132 Cb 0.33 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.80 1m0m h SER 132 CO -0.38 0.22 -0.10 1.88 -1.14 0.00 0.00 176.83 177.32 1m0m h TYR 133 N 0.39 0.00 -0.89 3.45 0.05 -1.66 -2.87 116.97 115.44 1m0m h TYR 133 Ca 0.22 0.00 0.17 0.00 0.05 0.00 0.00 58.73 59.17 1m0m h TYR 133 Cb 0.36 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 38.03 1m0m h TYR 133 CO -0.00 0.10 0.58 0.00 -1.05 0.00 0.00 178.16 177.79 1m0m h ARG 134 N 0.00 0.57 0.00 4.88 3.08 -1.14 -1.25 114.38 120.52 1m0m h ARG 134 Ca -0.00 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 1m0m h ARG 134 Cb 0.73 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.65 1m0m h ARG 134 CO 0.01 0.38 -0.17 0.74 -1.07 0.00 0.00 179.97 179.86 1m0m h PHE 135 N 0.59 0.00 -0.50 3.04 0.04 -1.66 -1.43 116.94 117.02 1m0m h PHE 135 Ca 0.46 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 61.17 1m0m h PHE 135 Cb 0.89 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.02 1m0m h PHE 135 CO -0.00 0.16 0.07 0.28 -0.60 0.00 0.00 178.31 178.22 1m0m h VAL 136 N 0.00 1.25 -0.47 -0.55 2.07 -1.24 -1.93 116.25 115.38 1m0m h VAL 136 Ca -0.00 -0.96 -0.09 0.00 0.82 0.00 0.00 66.70 66.47 1m0m h VAL 136 Cb 1.13 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 1m0m h VAL 136 CO 0.02 0.34 -0.08 -0.50 0.02 0.00 0.00 177.57 177.37 1m0m h TRP 137 N 0.71 0.90 -0.77 1.57 4.06 -1.23 -2.07 115.95 119.12 1m0m h TRP 137 Ca 0.15 -0.16 0.04 0.00 2.06 0.00 0.00 58.89 60.99 1m0m h TRP 137 Cb 0.42 -0.23 -0.05 0.00 -1.00 0.00 0.00 29.16 28.29 1m0m h TRP 137 CO 0.03 0.86 0.48 2.35 -3.56 0.00 0.00 178.44 178.60 1m0m h TRP 138 N 0.75 0.89 -0.52 0.49 7.01 -1.19 -1.49 115.95 121.88 1m0m h TRP 138 Ca 0.13 0.03 -0.08 0.00 2.11 0.00 0.00 58.89 61.08 1m0m h TRP 138 Cb 0.57 -0.29 -0.02 0.00 -2.10 0.00 0.00 29.16 27.32 1m0m h TRP 138 CO 0.03 0.48 0.01 0.00 -2.79 0.00 0.00 178.44 176.17 1m0m h ALA 139 N 1.35 0.69 -0.53 2.65 0.00 -0.87 0.14 119.26 122.69 1m0m h ALA 139 Ca 0.32 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1m0m h ALA 139 Cb 0.09 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1m0m h ALA 139 CO -0.14 0.50 0.12 0.82 0.00 0.00 0.00 179.25 180.55 1m0m h ILE 140 N 0.78 1.25 -0.49 0.00 2.04 -1.27 0.11 117.51 119.93 1m0m h ILE 140 Ca 0.15 -0.89 0.03 0.00 1.00 0.00 0.00 64.86 65.15 1m0m h ILE 140 Cb 0.51 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 37.37 1m0m h ILE 140 CO 0.03 0.32 0.27 -1.28 0.00 0.00 0.00 178.15 177.49 1m0m h SER 141 N 0.74 0.41 -0.20 1.72 0.87 -1.12 -1.50 113.55 114.48 1m0m h SER 141 Ca 0.16 0.02 -0.10 0.00 -1.23 0.00 0.00 61.79 60.64 1m0m h SER 141 Cb 0.36 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.23 1m0m h SER 141 CO 0.00 0.29 -0.20 0.74 -0.53 0.00 0.00 176.83 177.14 1m0m h THR 142 N 0.53 1.26 -0.22 2.23 2.02 -0.45 -1.58 112.91 116.71 1m0m h THR 142 Ca 0.20 -1.24 -0.04 0.00 0.77 0.00 0.00 66.41 66.10 1m0m h THR 142 Cb 0.07 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 1m0m h THR 142 CO -0.12 0.41 -0.06 0.00 0.37 0.00 0.00 175.52 176.12 1m0m h ALA 143 N 1.22 1.50 -0.44 6.16 0.00 -0.27 0.23 119.26 127.66 1m0m h ALA 143 Ca 0.09 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 1m0m h ALA 143 Cb 0.65 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1m0m h ALA 143 CO 0.05 0.36 -0.23 0.00 0.00 0.00 0.00 179.25 179.42 1m0m h ALA 144 N 1.63 0.62 -0.24 0.00 0.00 -0.66 -0.94 119.26 119.66 1m0m h ALA 144 Ca 0.07 -0.39 0.05 0.00 0.00 0.00 0.00 54.91 54.64 1m0m h ALA 144 Cb 0.31 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 1m0m h ALA 144 CO 0.01 0.61 -0.10 1.98 0.00 0.00 0.00 179.25 181.75 1m0m h MET 145 N 0.76 -0.07 -0.47 0.00 -1.53 -0.87 -1.20 114.93 111.55 1m0m h MET 145 Ca 0.09 0.00 -0.05 0.00 -3.44 0.00 0.00 59.70 56.31 1m0m h MET 145 Cb 0.81 0.02 -0.02 0.00 -0.55 0.00 0.00 31.60 31.85 1m0m h MET 145 CO 0.07 -0.05 0.10 -0.07 0.14 0.00 0.00 176.91 177.10 1m0m h LEU 146 N -0.07 0.66 -0.67 3.39 3.38 -0.76 -0.41 115.31 120.83 1m0m h LEU 146 Ca 0.13 -0.11 0.09 0.00 0.09 0.00 0.00 57.88 58.07 1m0m h LEU 146 Cb 0.26 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 40.77 1m0m h LEU 146 CO -0.28 0.67 0.33 0.22 0.09 0.00 0.00 178.44 179.46 1m0m h TYR 147 N 0.69 0.58 -0.34 1.13 3.20 -0.74 -0.77 116.97 120.73 1m0m h TYR 147 Ca 0.15 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.01 1m0m h TYR 147 Cb 0.28 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 1m0m h TYR 147 CO 0.01 0.21 0.06 0.82 -1.64 0.00 0.00 178.16 177.63 1m0m h ILE 148 N 0.57 1.23 -0.65 1.81 2.04 -0.14 -0.71 117.51 121.66 1m0m h ILE 148 Ca 0.33 -0.82 -0.05 0.00 1.00 0.00 0.00 64.86 65.32 1m0m h ILE 148 Cb 0.34 1.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.51 1m0m h ILE 148 CO -0.26 0.27 0.20 -0.07 0.00 0.00 0.00 178.15 178.29 1m0m h LEU 149 N 0.39 0.93 -0.23 1.44 3.38 -1.03 -1.82 115.31 118.38 1m0m h LEU 149 Ca 0.10 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 57.95 1m0m h LEU 149 Cb 0.35 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1m0m h LEU 149 CO 0.01 0.87 -0.01 0.22 0.09 0.00 0.00 178.44 179.62 1m0m h TYR 150 N 0.96 -0.02 -0.90 1.13 3.20 -0.80 -2.44 116.97 118.11 1m0m h TYR 150 Ca 0.21 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.09 1m0m h TYR 150 Cb 0.28 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.55 1m0m h TYR 150 CO 0.02 -0.04 0.53 0.28 -1.64 0.00 0.00 178.16 177.31 1m0m h VAL 151 N 0.06 1.25 0.00 1.81 2.07 -0.77 0.29 116.25 120.97 1m0m h VAL 151 Ca 0.11 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 1m0m h VAL 151 Cb 0.14 -0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.91 1m0m h VAL 151 CO -0.19 0.27 -0.07 -0.07 0.02 0.00 0.00 177.57 177.53 1m0m h LEU 152 N 1.24 0.00 0.00 2.57 3.38 -0.98 -1.95 115.31 119.57 1m0m h LEU 152 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1m0m h LEU 152 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1m0m h LEU 152 CO -0.06 0.07 -1.58 0.49 0.09 0.00 0.00 178.44 177.45 1m0m n PHE 153 N -3.69 0.00 -1.68 1.13 3.72 -0.54 -4.68 117.46 111.71 1m0m n PHE 153 Ca -0.02 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.41 1m0m n PHE 153 Cb 0.17 -0.30 0.04 0.00 -0.94 0.00 0.00 39.48 38.45 1m0m n PHE 153 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1m0m n PHE 154 N -1.95 0.00 0.06 1.38 3.72 0.93 -4.78 117.46 116.82 1m0m n PHE 154 Ca -0.02 -0.30 0.02 0.00 -0.05 0.00 0.00 57.45 57.10 1m0m n PHE 154 Cb 0.36 -0.08 -0.03 0.00 -0.94 0.00 0.00 39.48 38.80 1m0m n PHE 154 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1m0m n GLY 155 N -0.43 0.11 3.88 1.37 0.00 -0.74 -4.97 105.19 104.42 1m0m n GLY 155 Ca 0.05 -0.10 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 1m0m n GLY 155 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1m0m s PHE 156 N -1.94 2.37 0.00 1.61 0.08 -1.25 -5.06 117.98 113.78 1m0m s PHE 156 Ca -0.00 -0.60 0.00 0.00 0.12 0.00 0.00 56.93 56.45 1m0m s PHE 156 Cb 0.03 -2.10 0.00 0.00 -0.57 0.00 0.00 43.02 40.38 1m0m s PHE 156 CO 0.16 -0.24 0.00 0.45 -0.10 0.00 0.00 175.22 175.49 1m0m n SER 162 N -1.61 0.00 -4.62 1.36 2.88 -1.26 -5.16 113.62 105.21 1m0m n SER 162 Ca 0.03 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.24 1m0m n SER 162 Cb 0.63 0.00 0.14 0.00 -0.75 0.00 0.00 64.21 64.22 1m0m n SER 162 CO 0.00 0.00 0.00 1.15 -1.23 0.00 0.00 175.04 174.96 1m0m n MET 163 N 0.10 -0.12 -1.75 -1.46 0.00 -1.26 -4.91 117.12 107.72 1m0m n MET 163 Ca 0.00 0.03 -0.39 0.00 0.00 0.00 0.00 57.70 57.34 1m0m n MET 163 Cb 0.00 -2.26 0.04 0.00 0.00 0.00 0.00 33.22 30.99 1m0m n MET 163 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 175.97 178.86 1m0m n ARG 164 N -3.14 1.89 0.26 3.17 1.85 -1.26 -4.81 116.66 114.61 1m0m n ARG 164 Ca 0.11 0.69 0.17 0.00 -1.00 0.00 0.00 57.85 57.82 1m0m n ARG 164 Cb 0.51 -2.61 0.79 0.00 -1.05 0.00 0.00 32.46 30.11 1m0m n ARG 164 CO 0.00 0.00 0.00 -1.00 -0.01 0.00 0.00 177.63 176.62 1m0m h PRO 165 N 1.71 0.00 -0.05 2.89 0.13 -1.99 -1.62 132.00 133.06 1m0m h PRO 165 Ca -0.51 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.52 1m0m h PRO 165 Cb 1.29 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.43 1m0m h PRO 165 CO 0.58 0.00 -0.37 1.05 -0.23 0.00 0.00 178.00 179.03 1m0m h GLU 166 N 0.00 0.35 -0.44 0.86 4.11 -1.99 -2.71 114.58 114.76 1m0m h GLU 166 Ca 0.06 -0.30 0.03 0.00 0.07 0.00 0.00 59.36 59.23 1m0m h GLU 166 Cb 0.80 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.08 1m0m h GLU 166 CO -0.00 0.95 0.22 0.28 0.07 0.00 0.00 179.01 180.54 1m0m h VAL 167 N -0.16 0.98 -0.88 -1.06 2.07 -1.64 -2.76 116.25 112.80 1m0m h VAL 167 Ca -0.03 -0.15 0.05 0.00 0.82 0.00 0.00 66.70 67.39 1m0m h VAL 167 Cb 1.04 0.49 -0.06 0.00 -1.52 0.00 0.00 31.29 31.24 1m0m h VAL 167 CO 0.08 0.08 0.56 0.00 0.02 0.00 0.00 177.57 178.31 1m0m h ALA 168 N 1.22 1.20 -0.21 1.67 0.00 -1.41 0.35 119.26 122.09 1m0m h ALA 168 Ca 0.18 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.87 1m0m h ALA 168 Cb 0.08 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.61 1m0m h ALA 168 CO -0.12 0.35 -0.67 1.03 0.00 0.00 0.00 179.25 179.83 1m0m h SER 169 N 1.04 0.93 -0.12 0.00 0.87 -1.27 0.27 113.55 115.28 1m0m h SER 169 Ca 0.37 -0.56 -0.19 0.00 -1.23 0.00 0.00 61.79 60.18 1m0m h SER 169 Cb 0.11 -0.27 0.01 0.00 -0.44 0.00 0.00 62.40 61.81 1m0m h SER 169 CO -0.15 1.36 -0.67 0.74 -0.53 0.00 0.00 176.83 177.57 1m0m h THR 170 N 0.58 1.32 0.04 2.23 2.02 -1.37 -2.06 112.91 115.67 1m0m h THR 170 Ca -0.02 -1.93 -0.00 0.00 0.77 0.00 0.00 66.41 65.23 1m0m h THR 170 Cb 1.29 2.11 0.00 0.00 -1.74 0.00 0.00 68.15 69.81 1m0m h THR 170 CO 0.14 0.60 -0.02 0.15 0.37 0.00 0.00 175.52 176.76 1m0m h PHE 171 N 0.33 -0.05 -1.00 3.16 3.57 -0.25 -0.24 116.94 122.46 1m0m h PHE 171 Ca -0.05 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.56 1m0m h PHE 171 Cb 1.31 0.02 -0.08 0.00 2.79 0.00 0.00 35.95 39.99 1m0m h PHE 171 CO 0.10 0.06 0.64 0.87 -2.23 0.00 0.00 178.31 177.75 1m0m h LYS 172 N -0.14 1.00 0.01 1.11 1.57 -0.93 0.16 116.57 119.34 1m0m h LYS 172 Ca -0.01 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1m0m h LYS 172 Cb 0.13 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.21 1m0m h LYS 172 CO 0.01 0.66 -0.00 0.28 -0.57 0.00 0.00 179.45 179.83 1m0m h VAL 173 N 1.03 1.10 -0.25 0.50 2.07 -0.98 -2.12 116.25 117.60 1m0m h VAL 173 Ca 0.48 -0.33 -0.11 0.00 0.82 0.00 0.00 66.70 67.56 1m0m h VAL 173 Cb 0.42 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1m0m h VAL 173 CO -0.24 0.09 -0.31 -0.07 0.02 0.00 0.00 177.57 177.06 1m0m h LEU 174 N -0.15 0.53 -0.74 2.57 3.38 -0.49 -0.90 115.31 119.50 1m0m h LEU 174 Ca -0.00 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1m0m h LEU 174 Cb 0.15 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 1m0m h LEU 174 CO 0.00 0.81 0.43 -0.09 0.09 0.00 0.00 178.44 179.69 1m0m h ARG 175 N 0.45 1.02 -0.15 1.13 2.43 -0.69 0.31 114.38 118.88 1m0m h ARG 175 Ca 0.06 -0.10 -0.17 0.00 -0.81 0.00 0.00 59.98 58.95 1m0m h ARG 175 Cb 0.76 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 1m0m h ARG 175 CO 0.06 0.74 -0.61 -0.91 -1.51 0.00 0.00 179.97 177.73 1m0m h ASN 176 N 1.02 0.58 -0.48 -3.80 2.35 -0.86 -1.07 115.58 113.31 1m0m h ASN 176 Ca 0.26 -0.33 0.05 0.00 -0.55 0.00 0.00 56.30 55.73 1m0m h ASN 176 Cb -0.01 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.15 1m0m h ASN 176 CO -0.05 1.05 0.23 0.58 -1.65 0.00 0.00 177.43 177.60 1m0m h VAL 177 N 0.38 0.94 -0.15 2.81 2.07 -0.91 -2.60 116.25 118.78 1m0m h VAL 177 Ca -0.01 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.37 1m0m h VAL 177 Cb 1.17 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1m0m h VAL 177 CO 0.11 0.08 0.06 0.74 0.02 0.00 0.00 177.57 178.58 1m0m h THR 178 N 0.46 0.97 -0.35 2.57 2.02 -0.53 -0.72 112.91 117.33 1m0m h THR 178 Ca 0.22 -0.05 -0.00 0.00 0.77 0.00 0.00 66.41 67.35 1m0m h THR 178 Cb 0.14 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 1m0m h THR 178 CO -0.16 0.02 0.22 0.58 0.37 0.00 0.00 175.52 176.55 1m0m h VAL 179 N 0.13 1.11 -0.19 3.16 2.07 -1.04 0.29 116.25 121.79 1m0m h VAL 179 Ca 0.07 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 1m0m h VAL 179 Cb 0.03 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1m0m h VAL 179 CO -0.06 0.11 -0.03 0.58 0.02 0.00 0.00 177.57 178.18 1m0m h VAL 180 N 0.46 1.28 -0.03 2.57 2.07 -1.21 -2.00 116.25 119.39 1m0m h VAL 180 Ca 0.13 -0.98 -0.01 0.00 0.82 0.00 0.00 66.70 66.66 1m0m h VAL 180 Cb -0.01 1.54 -0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1m0m h VAL 180 CO -0.02 0.30 -0.00 -0.07 0.02 0.00 0.00 177.57 177.79 1m0m h LEU 181 N 0.09 0.05 -1.08 2.57 3.38 -1.11 -3.01 115.31 116.21 1m0m h LEU 181 Ca 0.05 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 1m0m h LEU 181 Cb 0.46 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1m0m h LEU 181 CO 0.02 0.38 0.27 -0.50 0.09 0.00 0.00 178.44 178.70 1m0m h TRP 182 N -0.28 0.92 0.00 1.13 4.06 -1.00 -2.19 115.95 118.59 1m0m h TRP 182 Ca 0.01 -0.05 -0.01 0.00 2.06 0.00 0.00 58.89 60.90 1m0m h TRP 182 Cb 0.36 -0.28 -0.00 0.00 -1.00 0.00 0.00 29.16 28.23 1m0m h TRP 182 CO 0.04 0.70 -0.06 0.77 -3.56 0.00 0.00 178.44 176.34 1m0m h SER 183 N 0.91 0.00 0.55 -3.49 0.02 -1.36 -2.21 113.55 107.97 1m0m h SER 183 Ca 0.22 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.09 1m0m h SER 183 Cb 0.16 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 1m0m h SER 183 CO -0.02 0.06 -0.36 0.00 -1.14 0.00 0.00 176.83 175.37 1m0m h ALA 184 N 1.94 1.20 -0.24 3.77 0.00 -1.25 -3.33 119.26 121.35 1m0m h ALA 184 Ca -0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1m0m h ALA 184 Cb 0.37 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1m0m h ALA 184 CO 0.01 0.44 0.14 1.88 0.00 0.00 0.00 179.25 181.72 1m0m h TYR 185 N 0.00 0.32 0.00 0.00 -1.99 -1.43 -1.09 116.97 112.79 1m0m h TYR 185 Ca -0.00 -0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.69 1m0m h TYR 185 Cb 0.73 -0.11 -0.00 0.00 2.00 0.00 0.00 36.73 39.35 1m0m h TYR 185 CO 0.00 0.26 -0.15 -1.00 -0.00 0.00 0.00 178.16 177.27 1m0m h PRO 186 N 0.30 0.00 -0.22 4.88 0.13 -1.74 -1.34 132.00 134.01 1m0m h PRO 186 Ca 0.09 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.06 1m0m h PRO 186 Cb 0.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.16 1m0m h PRO 186 CO -0.02 0.15 -0.47 0.28 -0.23 0.00 0.00 178.00 177.71 1m0m h VAL 187 N 0.00 1.31 -0.62 1.56 2.07 -1.53 -1.60 116.25 117.44 1m0m h VAL 187 Ca -0.00 -1.69 -0.02 0.00 0.82 0.00 0.00 66.70 65.81 1m0m h VAL 187 Cb 0.34 1.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.90 1m0m h VAL 187 CO 0.02 0.53 0.32 0.58 0.02 0.00 0.00 177.57 179.04 1m0m h VAL 188 N 0.41 1.21 -0.41 2.57 2.07 -0.81 -1.76 116.25 119.53 1m0m h VAL 188 Ca 0.00 -0.56 0.02 0.00 0.82 0.00 0.00 66.70 66.99 1m0m h VAL 188 Cb 1.08 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 1m0m h VAL 188 CO 0.10 0.23 0.22 -0.25 0.02 0.00 0.00 177.57 177.90 1m0m h TRP 189 N 0.85 0.41 -0.20 1.57 7.01 -1.24 0.45 115.95 124.81 1m0m h TRP 189 Ca 0.22 0.02 -0.06 0.00 2.11 0.00 0.00 58.89 61.18 1m0m h TRP 189 Cb 0.08 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.00 1m0m h TRP 189 CO -0.00 0.23 -0.12 1.25 -2.79 0.00 0.00 178.44 177.00 1m0m h LEU 190 N 0.45 0.30 0.00 0.65 5.85 -0.86 -2.90 115.31 118.79 1m0m h LEU 190 Ca 0.17 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1m0m h LEU 190 Cb 0.04 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 40.99 1m0m h LEU 190 CO -0.10 0.46 -1.31 2.30 -0.34 0.00 0.00 178.44 179.45 1m0m n ILE 191 N -4.25 0.36 -1.09 4.05 -5.35 -0.70 -0.40 119.36 111.98 1m0m n ILE 191 Ca -0.00 -0.49 -0.05 0.00 -0.27 0.00 0.00 62.75 61.94 1m0m n ILE 191 Cb 0.28 -0.15 0.04 0.00 -1.74 0.00 0.00 39.64 38.07 1m0m n ILE 191 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1m0m n GLY 192 N 1.23 -1.37 0.05 3.28 0.00 0.13 -0.66 105.19 107.86 1m0m n GLY 192 Ca -0.01 -1.65 0.11 0.00 0.00 0.00 0.00 46.02 44.47 1m0m n GLY 192 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1m0m n SER 193 N -3.17 0.32 0.14 1.61 3.41 -1.24 -0.78 113.62 113.91 1m0m n SER 193 Ca 0.03 0.56 0.03 0.00 -0.26 0.00 0.00 58.87 59.23 1m0m n SER 193 Cb 0.10 -0.64 0.04 0.00 -0.26 0.00 0.00 64.21 63.45 1m0m n SER 193 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1m0m h GLU 194 N 0.00 0.00 0.00 4.33 3.07 -1.92 -3.43 114.58 116.64 1m0m h GLU 194 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1m0m h GLU 194 Cb 0.41 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.32 1m0m h GLU 194 CO 0.00 0.48 0.00 0.41 -1.40 0.00 0.00 179.01 178.50 1m0m n GLY 195 N 1.20 1.28 0.07 -3.84 0.00 -0.79 -4.93 105.19 98.18 1m0m n GLY 195 Ca 0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.17 1m0m n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m0m n ALA 196 N -3.00 2.50 -3.11 4.61 0.00 0.47 -4.93 120.51 117.05 1m0m n ALA 196 Ca 0.00 -0.10 -0.15 0.00 0.00 0.00 0.00 53.44 53.19 1m0m n ALA 196 Cb 0.00 -1.39 0.05 0.00 0.00 0.00 0.00 19.45 18.10 1m0m n ALA 196 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1m0m n GLY 197 N 1.37 -0.01 0.12 0.00 0.00 0.04 -4.93 105.19 101.79 1m0m n GLY 197 Ca 0.05 -0.11 -0.18 0.00 0.00 0.00 0.00 46.02 45.78 1m0m n GLY 197 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1m0m h ILE 198 N -1.56 0.78 -3.39 -0.61 2.04 -1.16 -3.46 117.51 110.15 1m0m h ILE 198 Ca -0.35 -2.50 -0.66 0.00 1.00 0.00 0.00 64.86 62.35 1m0m h ILE 198 Cb 1.23 2.55 -0.19 0.00 -0.74 0.00 0.00 36.82 39.67 1m0m h ILE 198 CO 0.35 0.80 -0.66 -0.69 0.00 0.00 0.00 178.15 177.95 1m0m s VAL 199 N -2.58 3.99 0.69 1.67 1.01 0.16 -5.02 120.40 120.32 1m0m s VAL 199 Ca -0.16 -0.35 -0.14 0.00 0.00 0.00 0.00 61.98 61.34 1m0m s VAL 199 Cb 0.07 -2.71 0.02 0.00 0.00 0.00 0.00 36.38 33.76 1m0m s VAL 199 CO 0.80 0.54 1.10 -2.84 0.00 0.00 0.00 175.10 174.71 1m0m s PRO 200 N -0.19 2.66 0.39 2.72 0.02 -1.26 -3.71 135.00 135.63 1m0m s PRO 200 Ca 0.04 1.30 0.14 0.00 0.02 0.00 0.00 61.00 62.49 1m0m s PRO 200 Cb -0.13 -1.94 0.96 0.00 0.02 0.00 0.00 34.50 33.42 1m0m s PRO 200 CO 0.02 -1.34 1.86 1.25 -0.33 0.00 0.00 177.00 178.46 1m0m h LEU 201 N -0.32 0.52 -0.64 -5.54 5.85 -1.97 0.08 115.31 113.27 1m0m h LEU 201 Ca -0.46 0.04 -0.14 0.00 0.84 0.00 0.00 57.88 58.17 1m0m h LEU 201 Cb 1.24 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 1m0m h LEU 201 CO 0.53 0.23 -0.43 -0.55 -0.34 0.00 0.00 178.44 177.88 1m0m h ASN 202 N 0.53 0.60 0.36 1.25 7.08 -1.96 -0.55 115.58 122.88 1m0m h ASN 202 Ca 0.46 -0.28 -0.17 0.00 -3.08 0.00 0.00 56.30 53.23 1m0m h ASN 202 Cb 0.95 -0.17 -0.01 0.00 -2.08 0.00 0.00 38.32 37.02 1m0m h ASN 202 CO -0.19 0.95 -0.70 0.40 -2.08 0.00 0.00 177.43 175.81 1m0m h ILE 203 N 0.45 1.40 -0.68 6.14 1.08 -1.70 -1.73 117.51 122.47 1m0m h ILE 203 Ca 0.03 -2.15 -0.03 0.00 -0.39 0.00 0.00 64.86 62.32 1m0m h ILE 203 Cb 0.94 2.12 -0.03 0.00 -3.07 0.00 0.00 36.82 36.78 1m0m h ILE 203 CO 0.08 0.64 0.30 -0.08 -0.69 0.00 0.00 178.15 178.40 1m0m h GLU 204 N 0.21 1.00 -0.47 2.37 4.81 -0.60 -1.30 114.58 120.60 1m0m h GLU 204 Ca -0.02 -0.17 -0.09 0.00 -0.13 0.00 0.00 59.36 58.95 1m0m h GLU 204 Cb 1.25 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.44 1m0m h GLU 204 CO 0.11 0.82 -0.05 1.15 -0.73 0.00 0.00 179.01 180.31 1m0m h THR 205 N 0.96 1.27 -0.29 0.32 2.02 -1.07 -1.15 112.91 114.96 1m0m h THR 205 Ca 0.23 -1.15 0.03 0.00 0.77 0.00 0.00 66.41 66.29 1m0m h THR 205 Cb 0.17 1.05 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 1m0m h THR 205 CO -0.02 0.40 0.12 0.25 0.37 0.00 0.00 175.52 176.64 1m0m h LEU 206 N 0.72 0.16 -0.49 2.58 5.85 -1.02 -1.18 115.31 121.93 1m0m h LEU 206 Ca 0.13 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.87 1m0m h LEU 206 Cb 0.58 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 1m0m h LEU 206 CO 0.03 0.13 0.32 -0.07 -0.34 0.00 0.00 178.44 178.52 1m0m h LEU 207 N 0.27 0.56 -1.56 2.25 3.38 -1.05 -1.63 115.31 117.52 1m0m h LEU 207 Ca 0.12 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 1m0m h LEU 207 Cb 0.07 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1m0m h LEU 207 CO -0.11 0.40 -0.23 -0.26 0.09 0.00 0.00 178.44 178.33 1m0m h PHE 208 N 0.66 0.00 -0.10 1.13 0.04 -1.14 -1.48 116.94 116.05 1m0m h PHE 208 Ca 0.18 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.94 1m0m h PHE 208 Cb -0.07 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.07 1m0m h PHE 208 CO -0.04 0.23 0.03 1.98 -0.60 0.00 0.00 178.31 179.91 1m0m h MET 209 N 0.00 0.16 -0.64 1.51 4.05 -0.80 0.85 114.93 120.06 1m0m h MET 209 Ca -0.00 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.38 1m0m h MET 209 Cb 0.44 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.19 1m0m h MET 209 CO 0.03 0.32 0.41 0.28 0.23 0.00 0.00 176.91 178.19 1m0m h VAL 210 N -0.03 1.17 -0.41 -5.77 2.07 -1.17 -0.91 116.25 111.20 1m0m h VAL 210 Ca 0.03 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1m0m h VAL 210 Cb 0.23 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 1m0m h VAL 210 CO -0.00 0.17 0.23 -0.07 0.02 0.00 0.00 177.57 177.92 1m0m h LEU 211 N 0.87 0.51 -0.10 2.57 3.38 -1.17 -1.71 115.31 119.65 1m0m h LEU 211 Ca 0.23 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.13 1m0m h LEU 211 Cb -0.07 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1m0m h LEU 211 CO -0.05 0.45 0.01 0.44 0.09 0.00 0.00 178.44 179.38 1m0m h ASP 212 N 0.53 -0.00 -0.24 -0.43 5.19 -0.62 0.31 116.42 121.15 1m0m h ASP 212 Ca 0.14 0.02 -0.11 0.00 -0.62 0.00 0.00 57.03 56.46 1m0m h ASP 212 Cb 0.05 0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.57 1m0m h ASP 212 CO -0.02 0.01 -0.21 0.58 -3.12 0.00 0.00 179.24 176.48 1m0m h VAL 213 N 0.06 1.27 -0.44 -1.35 2.07 -1.16 -1.14 116.25 115.56 1m0m h VAL 213 Ca 0.04 -1.29 -0.10 0.00 0.82 0.00 0.00 66.70 66.17 1m0m h VAL 213 Cb 0.04 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1m0m h VAL 213 CO -0.06 0.43 -0.14 0.28 0.02 0.00 0.00 177.57 178.09 1m0m h SER 214 N 0.62 0.82 1.07 0.57 0.02 -0.91 0.40 113.55 116.15 1m0m h SER 214 Ca 0.09 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 1m0m h SER 214 Cb 0.70 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.01 1m0m h SER 214 CO 0.05 0.97 -0.24 0.00 -1.14 0.00 0.00 176.83 176.47 1m0m n ALA 215 N -2.49 2.64 -0.02 3.77 0.00 0.11 -1.11 120.51 123.41 1m0m n ALA 215 Ca 0.01 -0.15 -0.03 0.00 0.00 0.00 0.00 53.44 53.28 1m0m n ALA 215 Cb 0.39 -1.34 -0.01 0.00 0.00 0.00 0.00 19.45 18.49 1m0m n ALA 215 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1m0m n LYS 216 N -1.95 0.17 -0.04 0.00 5.02 -0.46 -4.35 118.16 116.55 1m0m n LYS 216 Ca 0.05 0.07 -0.15 0.00 -2.02 0.00 0.00 58.31 56.26 1m0m n LYS 216 Cb 0.40 -0.71 -0.12 0.00 -0.02 0.00 0.00 35.03 34.58 1m0m n LYS 216 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1m0m h VAL 217 N -0.32 1.64 -0.10 -0.18 2.07 -1.19 -1.62 116.25 116.54 1m0m h VAL 217 Ca 0.00 -2.09 0.03 0.00 0.82 0.00 0.00 66.70 65.46 1m0m h VAL 217 Cb 0.32 3.03 -0.03 0.00 -1.52 0.00 0.00 31.29 33.09 1m0m h VAL 217 CO 0.00 0.56 -0.09 1.23 0.02 0.00 0.00 177.57 179.29 1m0m h GLY 218 N -0.71 -0.01 0.45 2.17 0.00 -0.88 -1.13 103.07 102.97 1m0m h GLY 218 Ca -0.02 0.11 0.10 0.00 0.00 0.00 0.00 47.33 47.51 1m0m h GLY 218 CO 0.03 -0.10 0.34 -2.75 0.00 0.00 0.00 176.54 174.06 1m0m h PHE 219 N -0.10 0.60 -0.10 5.60 3.04 -1.21 -1.48 116.94 123.29 1m0m h PHE 219 Ca 0.07 0.03 -0.10 0.00 3.98 0.00 0.00 57.97 61.95 1m0m h PHE 219 Cb 0.20 -0.16 -0.01 0.00 2.56 0.00 0.00 35.95 38.54 1m0m h PHE 219 CO -0.20 0.21 -0.39 0.78 -2.02 0.00 0.00 178.31 176.68 1m0m h GLY 220 N 0.57 0.24 0.89 2.40 0.00 -1.04 -1.40 103.07 104.73 1m0m h GLY 220 Ca 0.35 -0.22 -0.08 0.00 0.00 0.00 0.00 47.33 47.38 1m0m h GLY 220 CO -0.28 0.20 -0.12 1.41 0.00 0.00 0.00 176.54 177.75 1m0m h LEU 221 N 0.19 0.60 -0.53 3.11 3.38 -0.45 0.10 115.31 121.70 1m0m h LEU 221 Ca 0.02 -0.40 0.06 0.00 0.09 0.00 0.00 57.88 57.64 1m0m h LEU 221 Cb 0.78 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.32 1m0m h LEU 221 CO 0.06 0.86 0.25 0.40 0.09 0.00 0.00 178.44 180.11 1m0m h ILE 222 N 0.33 0.92 -0.13 1.22 2.04 -1.01 -2.80 117.51 118.08 1m0m h ILE 222 Ca 0.06 -0.17 -0.23 0.00 1.00 0.00 0.00 64.86 65.53 1m0m h ILE 222 Cb 0.63 0.39 0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1m0m h ILE 222 CO 0.04 0.09 -0.82 0.25 0.00 0.00 0.00 178.15 177.71 1m0m h LEU 223 N 0.48 0.92 0.00 1.44 5.85 -1.03 -3.09 115.31 119.88 1m0m h LEU 223 Ca 0.24 -0.63 0.00 0.00 0.84 0.00 0.00 57.88 58.34 1m0m h LEU 223 Cb 0.19 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.94 1m0m h LEU 223 CO -0.19 1.43 0.00 0.18 -0.34 0.00 0.00 178.44 179.52 1m0m n LEU 224 N -3.92 0.00 0.06 2.25 4.77 0.34 -2.55 117.00 117.96 1m0m n LEU 224 Ca -0.08 0.32 0.11 0.00 -0.03 0.00 0.00 56.01 56.34 1m0m n LEU 224 Cb 0.77 -0.32 -0.04 0.00 -2.33 0.00 0.00 43.42 41.50 1m0m n LEU 224 CO 0.53 -0.03 -0.18 0.54 -1.33 0.00 0.00 177.39 176.92 1m0m n ARG 225 N -1.32 0.57 -2.29 3.23 5.12 -1.06 -4.94 116.66 115.96 1m0m n ARG 225 Ca 0.12 0.02 -0.37 0.00 -1.93 0.00 0.00 57.85 55.69 1m0m n ARG 225 Cb 0.23 -1.72 -0.01 0.00 -1.16 0.00 0.00 32.46 29.80 1m0m n ARG 225 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1m0m s SER 226 N -4.94 6.16 0.00 0.55 0.15 -1.06 -4.97 113.70 109.60 1m0m s SER 226 Ca -0.02 2.25 0.27 0.00 0.70 0.00 0.00 55.95 59.15 1m0m s SER 226 Cb 0.11 -2.60 0.80 0.00 -1.71 0.00 0.00 66.02 62.63 1m0m s SER 226 CO 0.82 -0.92 1.59 -1.14 1.20 0.00 0.00 173.24 174.80 1m0m n ARG 227 N -0.59 1.02 0.21 5.44 3.00 -1.26 -3.82 116.66 120.66 1m0m n ARG 227 Ca 0.08 -0.61 0.16 0.00 -0.00 0.00 0.00 57.85 57.48 1m0m n ARG 227 Cb 0.49 -1.49 0.81 0.00 0.00 0.00 0.00 32.46 32.27 1m0m n ARG 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1m0m h ALA 228 N 3.83 1.85 0.00 5.13 0.00 -1.90 -2.48 119.26 125.69 1m0m h ALA 228 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1m0m h ALA 228 Cb 0.51 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1m0m h ALA 228 CO 0.00 -0.25 0.00 0.44 0.00 0.00 0.00 179.25 179.44 1m0m n ILE 229 N -3.95 0.08 -3.88 0.00 -5.35 -1.25 -4.84 119.36 100.17 1m0m n ILE 229 Ca 0.01 0.02 -0.35 0.00 -0.27 0.00 0.00 62.75 62.16 1m0m n ILE 229 Cb 0.28 -0.55 -0.05 0.00 -1.74 0.00 0.00 39.64 37.58 1m0m n ILE 229 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1m0m s PHE 230 N -2.60 3.57 -2.00 4.28 0.08 -0.94 -2.19 117.98 118.18 1m0m s PHE 230 Ca 0.26 0.45 0.23 0.00 0.12 0.00 0.00 56.93 57.99 1m0m s PHE 230 Cb 0.19 -1.89 1.40 0.00 -0.57 0.00 0.00 43.02 42.15 1m0m s PHE 230 CO 0.44 0.67 1.77 0.41 -0.10 0.00 0.00 175.22 178.41