#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kly h GLY 24 N 0.00 0.00 1.17 8.31 0.00 -2.05 -2.17 103.07 108.34 3kly h GLY 24 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3kly h GLY 24 CO 0.00 0.00 0.41 0.50 0.00 0.00 0.00 176.54 177.45 3kly h LYS 25 N 0.00 1.08 0.01 4.80 1.79 -2.05 0.67 116.57 122.87 3kly h LYS 25 Ca -0.00 -0.13 -0.22 0.00 -2.18 0.00 0.00 60.65 58.12 3kly h LYS 25 Cb 0.16 -0.21 -0.00 0.00 -1.58 0.00 0.00 32.23 30.60 3kly h LYS 25 CO 0.01 0.80 -0.93 0.00 -1.08 0.00 0.00 179.45 178.26 3kly h ALA 26 N 1.36 0.41 -0.49 3.86 0.00 -1.85 -2.86 119.26 119.70 3kly h ALA 26 Ca 0.27 -0.72 -0.12 0.00 0.00 0.00 0.00 54.91 54.34 3kly h ALA 26 Cb 0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3kly h ALA 26 CO -0.04 0.86 -0.16 -0.22 0.00 0.00 0.00 179.25 179.69 3kly h LYS 27 N 0.18 0.97 -0.18 0.00 1.63 -0.77 -0.56 116.57 117.84 3kly h LYS 27 Ca -0.07 -0.39 -0.11 0.00 -0.85 0.00 0.00 60.65 59.23 3kly h LYS 27 Cb 1.56 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 33.14 3kly h LYS 27 CO 0.15 1.06 -0.37 1.57 -3.45 0.00 0.00 179.45 178.41 3kly h LYS 28 N 0.82 0.39 -0.45 1.90 2.10 0.26 -0.47 116.57 121.13 3kly h LYS 28 Ca 0.12 -0.18 -0.08 0.00 -2.00 0.00 0.00 60.65 58.52 3kly h LYS 28 Cb 0.72 -0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 32.03 3kly h LYS 28 CO 0.06 0.70 -0.03 0.00 -2.00 0.00 0.00 179.45 178.17 3kly h ALA 29 N 1.28 1.10 0.28 0.07 0.00 -1.30 0.39 119.26 121.08 3kly h ALA 29 Ca 0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3kly h ALA 29 Cb 0.80 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 3kly h ALA 29 CO 0.06 0.57 -0.15 0.00 0.00 0.00 0.00 179.25 179.73 3kly h ALA 30 N 1.26 -0.40 -0.97 0.00 0.00 -0.37 -1.05 119.26 117.74 3kly h ALA 30 Ca 0.13 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.99 3kly h ALA 30 Cb 0.48 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 3kly h ALA 30 CO 0.02 -0.73 0.64 1.88 0.00 0.00 0.00 179.25 181.06 3kly h TYR 31 N -0.41 1.19 -0.62 0.00 0.05 -0.87 -0.40 116.97 115.91 3kly h TYR 31 Ca -0.03 0.03 -0.09 0.00 0.05 0.00 0.00 58.73 58.69 3kly h TYR 31 Cb 0.33 -0.40 -0.02 0.00 1.01 0.00 0.00 36.73 37.65 3kly h TYR 31 CO -0.08 0.70 0.06 -0.22 -1.05 0.00 0.00 178.16 177.57 3kly h LYS 32 N 1.23 1.06 -0.25 4.88 3.64 -0.74 -1.15 116.57 125.25 3kly h LYS 32 Ca 0.38 -0.31 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 3kly h LYS 32 Cb -0.02 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 3kly h LYS 32 CO -0.11 1.01 0.13 1.03 -2.27 0.00 0.00 179.45 179.24 3kly h SER 33 N 0.97 0.31 -0.51 4.20 0.87 -0.36 -1.22 113.55 117.81 3kly h SER 33 Ca 0.18 -0.10 0.08 0.00 -1.23 0.00 0.00 61.79 60.72 3kly h SER 33 Cb 0.49 -0.08 -0.06 0.00 -0.44 0.00 0.00 62.40 62.31 3kly h SER 33 CO 0.02 0.32 0.16 0.15 -0.53 0.00 0.00 176.83 176.95 3kly h PHE 34 N 0.28 0.28 -0.49 2.24 3.57 -0.85 -0.31 116.94 121.66 3kly h PHE 34 Ca 0.09 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.53 3kly h PHE 34 Cb 0.08 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 3kly h PHE 34 CO -0.03 0.07 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.03 3kly h LEU 35 N 0.33 0.87 -1.31 0.59 3.38 -0.89 -1.01 115.31 117.27 3kly h LEU 35 Ca 0.25 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3kly h LEU 35 Cb 0.29 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3kly h LEU 35 CO -0.27 0.98 0.00 -0.07 0.09 0.00 0.00 178.44 179.17 3kly h LEU 36 N 0.74 0.00 0.16 1.67 3.38 -0.91 -1.87 115.31 118.49 3kly h LEU 36 Ca 0.14 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.79 3kly h LEU 36 Cb 0.54 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.30 3kly h LEU 36 CO 0.03 0.00 -1.54 0.00 0.09 0.00 0.00 178.44 177.02 3kly h ALA 37 N 2.07 0.15 -0.72 1.53 0.00 -0.47 0.97 119.26 122.79 3kly h ALA 37 Ca 0.00 -1.05 -0.03 0.00 0.00 0.00 0.00 54.91 53.83 3kly h ALA 37 Cb 0.45 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 3kly h ALA 37 CO 0.00 1.02 0.32 0.82 0.00 0.00 0.00 179.25 181.41 3kly h ILE 38 N 0.09 1.24 -0.29 0.00 2.04 -1.06 -1.56 117.51 117.97 3kly h ILE 38 Ca -0.25 -0.71 0.01 0.00 1.00 0.00 0.00 64.86 64.90 3kly h ILE 38 Cb 2.06 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 38.50 3kly h ILE 38 CO 0.19 0.29 0.18 0.28 0.00 0.00 0.00 178.15 179.09 3kly h SER 39 N 1.01 0.31 -0.52 1.72 0.02 -1.40 -1.97 113.55 112.72 3kly h SER 39 Ca 0.24 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.13 3kly h SER 39 Cb 0.15 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.59 3kly h SER 39 CO -0.03 0.23 0.13 0.00 -1.14 0.00 0.00 176.83 176.02 3kly h ALA 40 N 1.11 1.16 -0.55 3.77 0.00 -1.25 -0.99 119.26 122.51 3kly h ALA 40 Ca 0.11 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3kly h ALA 40 Cb -0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3kly h ALA 40 CO -0.03 0.57 0.25 0.78 0.00 0.00 0.00 179.25 180.82 3kly h GLY 41 N 0.99 0.86 1.11 0.00 0.00 -0.96 -1.44 103.07 103.63 3kly h GLY 41 Ca 0.18 -0.44 -0.08 0.00 0.00 0.00 0.00 47.33 47.00 3kly h GLY 41 CO 0.00 0.41 0.09 -2.22 0.00 0.00 0.00 176.54 174.83 3kly h ILE 42 N 0.74 1.26 -0.28 2.60 2.04 -1.11 -1.59 117.51 121.17 3kly h ILE 42 Ca 0.19 -1.05 -0.14 0.00 1.00 0.00 0.00 64.86 64.86 3kly h ILE 42 Cb 0.14 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 3kly h ILE 42 CO -0.02 0.39 -0.40 1.56 0.00 0.00 0.00 178.15 179.68 3kly h GLN 43 N 1.01 0.67 -0.02 2.37 4.20 -0.89 -0.25 115.11 122.20 3kly h GLN 43 Ca 0.20 -0.35 -0.19 0.00 0.06 0.00 0.00 58.65 58.37 3kly h GLN 43 Cb 0.45 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 3kly h GLN 43 CO 0.01 0.95 -0.81 0.82 -0.67 0.00 0.00 178.83 179.14 3kly h ILE 44 N 0.55 1.46 -0.56 2.54 1.08 -1.25 -2.76 117.51 118.57 3kly h ILE 44 Ca 0.05 -2.44 -0.00 0.00 -0.39 0.00 0.00 64.86 62.08 3kly h ILE 44 Cb 0.93 2.34 -0.03 0.00 -3.07 0.00 0.00 36.82 36.99 3kly h ILE 44 CO 0.08 0.71 0.35 1.23 -0.69 0.00 0.00 178.15 179.84 3kly h GLY 45 N 1.69 0.80 0.42 5.37 0.00 -1.05 -2.38 103.07 107.92 3kly h GLY 45 Ca -0.04 -0.32 0.13 0.00 0.00 0.00 0.00 47.33 47.10 3kly h GLY 45 CO 0.13 0.31 0.58 -2.22 0.00 0.00 0.00 176.54 175.34 3kly h ILE 46 N 0.75 0.88 -0.84 2.60 2.04 -0.94 -0.29 117.51 121.71 3kly h ILE 46 Ca 0.20 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 3kly h ILE 46 Cb -0.04 -0.10 -0.04 0.00 -0.74 0.00 0.00 36.82 35.90 3kly h ILE 46 CO -0.04 0.16 0.51 0.00 0.00 0.00 0.00 178.15 178.78 3kly h ALA 47 N 1.54 1.31 -0.03 1.87 0.00 -1.14 -1.19 119.26 121.61 3kly h ALA 47 Ca 0.48 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 55.14 3kly h ALA 47 Cb 0.52 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3kly h ALA 47 CO -0.28 0.59 -0.70 0.35 0.00 0.00 0.00 179.25 179.21 3kly h PHE 48 N 1.16 0.21 -0.54 0.00 3.04 -0.74 -0.83 116.94 119.24 3kly h PHE 48 Ca 0.30 -0.09 -0.02 0.00 3.98 0.00 0.00 57.97 62.14 3kly h PHE 48 Cb -0.05 -0.03 -0.02 0.00 2.56 0.00 0.00 35.95 38.40 3kly h PHE 48 CO 0.00 0.81 0.27 0.28 -2.02 0.00 0.00 178.31 177.65 3kly h VAL 49 N 0.11 1.19 -0.11 1.41 2.07 -0.74 -1.41 116.25 118.77 3kly h VAL 49 Ca -0.02 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 3kly h VAL 49 Cb 1.25 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 3kly h VAL 49 CO 0.10 0.21 0.04 0.15 0.02 0.00 0.00 177.57 178.10 3kly h PHE 50 N 0.72 0.17 -0.59 1.57 3.57 -1.09 -1.96 116.94 119.33 3kly h PHE 50 Ca 0.19 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.77 3kly h PHE 50 Cb 0.09 -0.05 -0.08 0.00 2.79 0.00 0.00 35.95 38.70 3kly h PHE 50 CO -0.01 0.27 0.17 -0.92 -2.23 0.00 0.00 178.31 175.59 3kly h TYR 51 N 0.02 0.29 -0.39 0.41 5.03 -1.06 -1.92 116.97 119.35 3kly h TYR 51 Ca 0.04 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.36 3kly h TYR 51 Cb 0.17 -0.04 -0.02 0.00 1.55 0.00 0.00 36.73 38.39 3kly h TYR 51 CO -0.02 0.04 0.17 1.15 -1.32 0.00 0.00 178.16 178.18 3kly h THR 52 N 0.33 1.19 0.28 1.81 2.02 -0.86 -2.03 112.91 115.64 3kly h THR 52 Ca 0.30 -0.55 -0.00 0.00 0.77 0.00 0.00 66.41 66.93 3kly h THR 52 Cb 0.41 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 3kly h THR 52 CO -0.34 0.20 -0.24 0.58 0.37 0.00 0.00 175.52 176.09 3kly h VAL 53 N 0.49 0.48 -0.60 3.16 2.07 -1.21 -2.71 116.25 117.93 3kly h VAL 53 Ca 0.13 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.69 3kly h VAL 53 Cb 0.16 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 3kly h VAL 53 CO -0.01 0.00 0.40 0.58 0.02 0.00 0.00 177.57 178.56 3kly h VAL 54 N -0.54 1.07 -0.32 2.57 2.07 -1.17 -1.56 116.25 118.38 3kly h VAL 54 Ca -0.01 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.27 3kly h VAL 54 Cb 0.49 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 3kly h VAL 54 CO -0.03 0.13 0.00 0.35 0.02 0.00 0.00 177.57 178.03 3kly n THR 55 N -4.47 0.41 -2.64 2.57 -2.24 -0.78 -4.90 114.28 102.23 3kly n THR 55 Ca 0.07 -0.55 -0.41 0.00 -2.27 0.00 0.00 64.05 60.89 3kly n THR 55 Cb 0.14 0.57 -0.04 0.00 -2.10 0.00 0.00 70.33 68.90 3kly n THR 55 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3kly s THR 56 N -1.59 4.39 0.00 4.28 2.01 -0.59 -3.45 115.64 120.68 3kly s THR 56 Ca 0.34 1.89 0.00 0.00 0.31 0.00 0.00 61.69 64.24 3kly s THR 56 Cb 0.19 -4.21 0.00 0.00 0.01 0.00 0.00 72.50 68.49 3kly s THR 56 CO 0.27 0.25 0.00 0.61 -0.69 0.00 0.00 174.62 175.06 3kly n GLY 57 N 2.48 0.48 1.34 4.40 0.00 -1.26 -4.94 105.19 107.69 3kly n GLY 57 Ca 0.04 -0.46 0.07 0.00 0.00 0.00 0.00 46.02 45.67 3kly n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kly n ALA 58 N 0.82 3.04 -0.29 4.61 0.00 -1.22 -4.57 120.51 122.89 3kly n ALA 58 Ca 0.00 -1.26 0.12 0.00 0.00 0.00 0.00 53.44 52.30 3kly n ALA 58 Cb 0.00 -1.03 0.28 0.00 0.00 0.00 0.00 19.45 18.70 3kly n ALA 58 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 3kly h HIS 59 N 3.22 0.42 0.00 0.00 2.07 -1.92 -1.10 115.15 117.85 3kly h HIS 59 Ca 0.00 0.05 0.00 0.00 -2.85 0.00 0.00 60.37 57.57 3kly h HIS 59 Cb 1.24 -0.05 0.00 0.00 2.57 0.00 0.00 27.41 31.17 3kly h HIS 59 CO 0.64 -0.15 -0.17 -0.44 -3.07 0.00 0.00 177.93 174.74 3kly h ASP 60 N 0.27 0.00 -4.13 3.10 3.32 -2.02 -3.46 116.42 113.50 3kly h ASP 60 Ca 0.53 -0.05 -0.48 0.00 0.02 0.00 0.00 57.03 57.05 3kly h ASP 60 Cb 1.04 0.00 0.04 0.00 0.22 0.00 0.00 39.33 40.63 3kly h ASP 60 CO -0.60 0.02 0.38 -0.04 -1.72 0.00 0.00 179.24 177.29 3kly s MET 61 N -3.14 3.62 0.40 3.56 -1.94 -0.42 -5.00 119.30 116.39 3kly s MET 61 Ca 0.09 1.28 -0.26 0.00 -1.71 0.00 0.00 55.69 55.09 3kly s MET 61 Cb 0.12 -2.07 -0.10 0.00 2.01 0.00 0.00 34.83 34.78 3kly s MET 61 CO 0.64 -0.57 1.31 -2.30 -0.01 0.00 0.00 175.02 174.09 3kly n PRO 62 N -1.41 2.08 -0.05 2.03 -0.02 -1.26 -4.87 135.00 131.50 3kly n PRO 62 Ca 0.09 0.74 -0.08 0.00 -2.02 0.00 0.00 63.50 62.23 3kly n PRO 62 Cb 0.53 -2.43 -0.01 0.00 -0.02 0.00 0.00 33.50 31.56 3kly n PRO 62 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 3kly h TYR 63 N 2.29 -0.49 -0.05 6.00 3.20 -1.94 -2.36 116.97 123.62 3kly h TYR 63 Ca -0.48 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.27 3kly h TYR 63 Cb 1.28 0.25 -0.01 0.00 1.54 0.00 0.00 36.73 39.79 3kly h TYR 63 CO 0.49 -0.27 -0.66 0.78 -1.64 0.00 0.00 178.16 176.87 3kly h GLY 64 N -0.18 0.22 0.94 1.82 0.00 -1.99 -2.16 103.07 101.72 3kly h GLY 64 Ca 0.14 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 3kly h GLY 64 CO -0.36 0.26 0.16 -2.08 0.00 0.00 0.00 176.54 174.52 3kly h VAL 65 N 0.14 1.16 -0.20 4.60 2.07 -1.90 -0.16 116.25 121.95 3kly h VAL 65 Ca -0.01 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.04 3kly h VAL 65 Cb 1.18 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 3kly h VAL 65 CO 0.10 0.17 0.13 0.74 0.02 0.00 0.00 177.57 178.73 3kly h THR 66 N 0.41 1.06 -0.79 2.57 2.02 -1.26 -1.63 112.91 115.28 3kly h THR 66 Ca 0.12 -0.14 -0.04 0.00 0.77 0.00 0.00 66.41 67.12 3kly h THR 66 Cb 0.12 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 67.29 3kly h THR 66 CO -0.01 0.06 0.33 0.11 0.37 0.00 0.00 175.52 176.38 3kly h LYS 67 N 0.26 1.17 -0.24 6.66 1.79 -1.30 -2.26 116.57 122.65 3kly h LYS 67 Ca 0.07 -0.20 0.00 0.00 -2.18 0.00 0.00 60.65 58.34 3kly h LYS 67 Cb -0.01 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 30.43 3kly h LYS 67 CO -0.02 0.94 0.16 1.25 -1.08 0.00 0.00 179.45 180.70 3kly h LEU 68 N 1.14 0.27 -0.52 2.94 5.85 -0.77 -0.70 115.31 123.52 3kly h LEU 68 Ca 0.27 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 3kly h LEU 68 Cb 0.19 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 3kly h LEU 68 CO -0.02 0.19 0.26 -0.07 -0.34 0.00 0.00 178.44 178.46 3kly h LEU 69 N 0.32 0.67 -0.44 2.25 3.38 -1.18 -0.32 115.31 119.99 3kly h LEU 69 Ca 0.09 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 57.98 3kly h LEU 69 Cb -0.03 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 3kly h LEU 69 CO -0.02 0.59 0.20 1.23 0.09 0.00 0.00 178.44 180.53 3kly h GLY 70 N 0.69 0.60 1.15 0.83 0.00 -1.30 -2.28 103.07 102.75 3kly h GLY 70 Ca 0.18 -0.14 -0.07 0.00 0.00 0.00 0.00 47.33 47.30 3kly h GLY 70 CO -0.02 0.08 0.12 -1.33 0.00 0.00 0.00 176.54 175.38 3kly h GLY 71 N 0.41 1.12 1.12 4.60 0.00 -0.66 -0.80 103.07 108.87 3kly h GLY 71 Ca 0.19 -0.72 -0.04 0.00 0.00 0.00 0.00 47.33 46.77 3kly h GLY 71 CO -0.15 0.67 0.34 1.41 0.00 0.00 0.00 176.54 178.81 3kly h LEU 72 N 0.98 1.03 -0.56 3.11 3.38 -0.91 -2.32 115.31 120.03 3kly h LEU 72 Ca 0.20 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 3kly h LEU 72 Cb 0.41 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3kly h LEU 72 CO 0.01 0.90 -0.00 0.00 0.09 0.00 0.00 178.44 179.43 3kly h ALA 73 N 1.26 0.76 -0.16 1.53 0.00 -1.02 -2.92 119.26 118.70 3kly h ALA 73 Ca 0.26 -0.30 0.05 0.00 0.00 0.00 0.00 54.91 54.92 3kly h ALA 73 Cb 0.16 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3kly h ALA 73 CO -0.03 0.59 0.18 0.35 0.00 0.00 0.00 179.25 180.34 3kly h PHE 74 N 0.88 0.00 -0.20 0.00 3.04 -0.59 -2.38 116.94 117.69 3kly h PHE 74 Ca 0.16 0.00 0.06 0.00 3.98 0.00 0.00 57.97 62.17 3kly h PHE 74 Cb 0.55 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.05 3kly h PHE 74 CO 0.04 0.00 0.19 0.66 -2.02 0.00 0.00 178.31 177.18 3kly h SER 75 N 0.00 0.00 -0.95 0.41 4.64 -1.30 -1.22 113.55 115.13 3kly h SER 75 Ca 0.08 0.00 0.19 0.00 -0.47 0.00 0.00 61.79 61.59 3kly h SER 75 Cb 0.43 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.41 3kly h SER 75 CO -0.00 0.00 0.53 0.25 -0.87 0.00 0.00 176.83 176.74 3kly h LEU 76 N 0.00 0.64 -0.10 5.97 5.85 -1.63 -2.09 115.31 123.94 3kly h LEU 76 Ca 0.09 0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.96 3kly h LEU 76 Cb 0.48 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 3kly h LEU 76 CO -0.00 0.20 -0.15 1.23 -0.34 0.00 0.00 178.44 179.37 3kly h GLY 77 N 0.65 -0.10 1.62 3.75 0.00 -1.42 0.15 103.07 107.72 3kly h GLY 77 Ca 0.56 0.18 -0.18 0.00 0.00 0.00 0.00 47.33 47.89 3kly h GLY 77 CO -0.41 -0.15 -0.73 -2.00 0.00 0.00 0.00 176.54 173.25 3kly h LEU 78 N -0.20 0.44 -0.64 3.11 5.85 -1.62 -1.36 115.31 120.89 3kly h LEU 78 Ca 0.09 -0.29 0.04 0.00 0.84 0.00 0.00 57.88 58.55 3kly h LEU 78 Cb 0.32 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 3kly h LEU 78 CO -0.22 1.03 0.38 0.40 -0.34 0.00 0.00 178.44 179.68 3kly h ILE 79 N 0.25 1.03 0.19 4.05 2.04 -1.16 0.19 117.51 124.11 3kly h ILE 79 Ca -0.03 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 3kly h ILE 79 Cb 1.30 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 3kly h ILE 79 CO 0.12 0.13 -0.09 -0.07 0.00 0.00 0.00 178.15 178.24 3kly h LEU 80 N 0.73 -0.21 -0.60 1.44 3.38 -0.66 -1.58 115.31 117.81 3kly h LEU 80 Ca 0.27 -0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.24 3kly h LEU 80 Cb 0.08 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 3kly h LEU 80 CO -0.13 -0.09 0.33 0.58 0.09 0.00 0.00 178.44 179.21 3kly h VAL 81 N -0.32 0.97 -0.08 1.22 2.07 -0.90 -1.01 116.25 118.20 3kly h VAL 81 Ca -0.03 -0.21 -0.08 0.00 0.82 0.00 0.00 66.70 67.21 3kly h VAL 81 Cb 0.25 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 3kly h VAL 81 CO 0.04 0.11 -0.25 0.58 0.02 0.00 0.00 177.57 178.08 3kly h VAL 82 N 0.62 1.41 -0.13 2.57 2.07 -0.89 -0.40 116.25 121.50 3kly h VAL 82 Ca 0.26 -1.60 -0.17 0.00 0.82 0.00 0.00 66.70 66.01 3kly h VAL 82 Cb 0.15 2.24 -0.01 0.00 -1.52 0.00 0.00 31.29 32.15 3kly h VAL 82 CO -0.17 0.46 -0.63 0.40 0.02 0.00 0.00 177.57 177.66 3kly h ILE 83 N -0.17 1.35 -0.00 4.57 2.04 -1.25 -3.16 117.51 120.89 3kly h ILE 83 Ca -0.01 -1.95 0.00 0.00 1.00 0.00 0.00 64.86 63.90 3kly h ILE 83 Cb 0.87 1.93 0.00 0.00 -0.74 0.00 0.00 36.82 38.88 3kly h ILE 83 CO 0.05 0.59 -0.22 0.35 0.00 0.00 0.00 178.15 178.92 3kly n THR 84 N -3.90 0.00 -1.08 -0.27 -2.24 -0.39 -4.94 114.28 101.45 3kly n THR 84 Ca -0.04 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 3kly n THR 84 Cb 0.65 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 3kly n THR 84 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kly n GLY 85 N 1.49 0.63 3.77 3.38 0.00 -0.89 -5.05 105.19 108.52 3kly n GLY 85 Ca 0.07 -0.76 -0.31 0.00 0.00 0.00 0.00 46.02 45.01 3kly n GLY 85 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kly s GLY 86 N -2.76 1.70 -0.38 -0.02 0.00 -0.21 -4.97 107.32 100.68 3kly s GLY 86 Ca 0.00 0.27 -0.08 0.00 0.00 0.00 0.00 44.72 44.91 3kly s GLY 86 CO 0.00 0.61 0.19 -0.54 0.00 0.00 0.00 173.10 173.36 3kly s GLU 87 N -4.88 2.58 -0.25 2.90 2.02 0.29 -4.86 118.70 116.50 3kly s GLU 87 Ca 0.61 -1.35 -0.05 0.00 0.02 0.00 0.00 54.97 54.20 3kly s GLU 87 Cb -0.17 -3.64 -0.01 0.00 0.10 0.00 0.00 34.13 30.41 3kly s GLU 87 CO 0.55 -0.83 0.02 -1.17 0.02 0.00 0.00 175.26 173.85 3kly s LEU 88 N 1.40 3.34 0.00 1.80 2.96 -1.26 -4.19 118.68 122.74 3kly s LEU 88 Ca 0.02 -0.48 0.00 0.00 -0.22 0.00 0.00 54.13 53.45 3kly s LEU 88 Cb -0.21 -1.82 0.00 0.00 0.50 0.00 0.00 46.19 44.65 3kly s LEU 88 CO 0.02 -0.08 0.00 0.33 -1.32 0.00 0.00 176.35 175.30 3kly n PHE 89 N 4.84 0.00 -4.09 5.38 7.35 -1.26 -4.80 117.46 124.88 3kly n PHE 89 Ca -0.16 0.00 -0.23 0.00 -0.76 0.00 0.00 57.45 56.30 3kly n PHE 89 Cb 0.50 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 40.27 3kly n PHE 89 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3kly s THR 90 N 0.00 3.06 0.73 -2.13 -4.23 -1.26 -4.47 115.64 107.35 3kly s THR 90 Ca 0.00 -1.68 -0.15 0.00 -1.18 0.00 0.00 61.69 58.68 3kly s THR 90 Cb 0.00 -2.99 0.04 0.00 1.34 0.00 0.00 72.50 70.89 3kly s THR 90 CO 0.00 -0.19 1.19 -0.44 -0.54 0.00 0.00 174.62 174.65 3kly s SER 91 N -3.85 4.23 0.78 3.99 0.01 -1.26 -4.95 113.70 112.65 3kly s SER 91 Ca 0.38 2.31 -0.14 0.00 1.31 0.00 0.00 55.95 59.81 3kly s SER 91 Cb -0.03 -2.58 0.06 0.00 0.21 0.00 0.00 66.02 63.68 3kly s SER 91 CO 0.23 -2.24 1.17 -1.54 0.41 0.00 0.00 173.24 171.27 3kly n SER 92 N -2.76 1.06 0.25 2.44 3.41 -1.26 -4.79 113.62 111.98 3kly n SER 92 Ca 0.13 0.63 0.09 0.00 -0.26 0.00 0.00 58.87 59.46 3kly n SER 92 Cb 0.50 -1.50 0.64 0.00 -0.26 0.00 0.00 64.21 63.60 3kly n SER 92 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 3kly h VAL 93 N -0.62 0.92 -0.67 -3.33 -1.51 -1.99 -1.63 116.25 107.42 3kly h VAL 93 Ca -0.47 -0.32 -0.02 0.00 -1.23 0.00 0.00 66.70 64.66 3kly h VAL 93 Cb 1.31 1.18 -0.03 0.00 -2.13 0.00 0.00 31.29 31.62 3kly h VAL 93 CO 0.47 0.09 0.33 -0.07 -1.23 0.00 0.00 177.57 177.15 3kly h LEU 94 N 0.00 0.87 -0.14 4.19 -0.00 -1.99 -0.46 115.31 117.78 3kly h LEU 94 Ca -0.00 -0.13 -0.01 0.00 -0.00 0.00 0.00 57.88 57.75 3kly h LEU 94 Cb 0.17 -0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 40.60 3kly h LEU 94 CO 0.01 0.75 0.06 0.40 -0.00 0.00 0.00 178.44 179.66 3kly h ILE 95 N 0.92 1.14 -1.00 1.22 1.08 -1.67 -1.63 117.51 117.57 3kly h ILE 95 Ca 0.23 -0.40 0.09 0.00 -0.39 0.00 0.00 64.86 64.40 3kly h ILE 95 Cb 0.11 1.15 -0.08 0.00 -3.07 0.00 0.00 36.82 34.93 3kly h ILE 95 CO -0.03 0.12 0.64 -0.07 -0.69 0.00 0.00 178.15 178.12 3kly h LEU 96 N 0.08 0.97 -0.79 1.44 3.38 -1.13 -1.49 115.31 117.78 3kly h LEU 96 Ca 0.05 0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.92 3kly h LEU 96 Cb 0.14 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3kly h LEU 96 CO -0.00 0.57 -0.50 -0.37 0.09 0.00 0.00 178.44 178.22 3kly h VAL 97 N 1.07 1.35 -0.37 1.22 -1.51 -0.91 -0.01 116.25 117.10 3kly h VAL 97 Ca 0.46 -1.74 -0.00 0.00 -1.23 0.00 0.00 66.70 64.19 3kly h VAL 97 Cb 0.33 1.83 -0.02 0.00 -2.13 0.00 0.00 31.29 31.31 3kly h VAL 97 CO -0.22 0.52 0.22 0.00 -1.23 0.00 0.00 177.57 176.85 3kly h ALA 98 N 1.27 0.47 -0.13 5.19 0.00 -0.31 0.15 119.26 125.91 3kly h ALA 98 Ca 0.01 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3kly h ALA 98 Cb 0.96 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3kly h ALA 98 CO 0.08 -0.03 0.07 -0.22 0.00 0.00 0.00 179.25 179.15 3kly h LYS 99 N 0.48 0.18 -0.76 0.00 1.63 -1.24 0.28 116.57 117.13 3kly h LYS 99 Ca 0.13 -0.02 0.15 0.00 -0.85 0.00 0.00 60.65 60.06 3kly h LYS 99 Cb 0.01 -0.03 -0.10 0.00 -0.60 0.00 0.00 32.23 31.51 3kly h LYS 99 CO -0.02 0.21 0.29 0.00 -3.45 0.00 0.00 179.45 176.47 3kly h ALA 100 N 0.96 1.06 0.00 5.00 0.00 -0.69 0.25 119.26 125.84 3kly h ALA 100 Ca 0.04 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3kly h ALA 100 Cb 0.08 0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3kly h ALA 100 CO -0.01 -0.24 0.00 0.77 0.00 0.00 0.00 179.25 179.78 3kly h SER 101 N 0.41 0.00 0.00 0.00 0.02 -0.45 -3.46 113.55 110.07 3kly h SER 101 Ca 0.42 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.37 3kly h SER 101 Cb 0.66 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.20 3kly h SER 101 CO -0.43 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 175.87 3kly n GLY 102 N 0.21 0.74 0.27 -3.77 0.00 0.88 -4.93 105.19 98.59 3kly n GLY 102 Ca 0.01 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.20 3kly n GLY 102 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kly h LYS 103 N 2.80 0.00 -5.18 1.61 1.57 -1.19 -3.44 116.57 112.74 3kly h LYS 103 Ca 0.00 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 58.37 3kly h LYS 103 Cb 0.00 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.17 3kly h LYS 103 CO 0.00 0.02 -0.66 0.96 -0.57 0.00 0.00 179.45 179.21 3kly s ILE 104 N -3.67 1.16 0.37 1.86 -4.36 -1.19 -4.97 121.20 110.41 3kly s ILE 104 Ca 0.01 -2.05 0.07 0.00 -0.26 0.00 0.00 60.65 58.43 3kly s ILE 104 Cb 0.09 -2.40 -0.01 0.00 1.25 0.00 0.00 42.46 41.39 3kly s ILE 104 CO 0.56 -0.29 0.43 -0.94 0.24 0.00 0.00 174.94 174.94 3kly s SER 105 N -3.35 5.57 0.21 4.36 1.04 -1.26 -4.60 113.70 115.67 3kly s SER 105 Ca 0.29 -0.42 -0.09 0.00 0.48 0.00 0.00 55.95 56.21 3kly s SER 105 Cb 0.06 -0.91 0.28 0.00 0.10 0.00 0.00 66.02 65.54 3kly s SER 105 CO 0.10 -0.53 1.75 -0.50 0.98 0.00 0.00 173.24 175.04 3kly h TRP 106 N 0.94 0.44 -0.54 5.02 -0.00 -1.99 -0.22 115.95 119.61 3kly h TRP 106 Ca -0.43 0.03 0.07 0.00 -0.00 0.00 0.00 58.89 58.56 3kly h TRP 106 Cb 1.26 -0.10 -0.06 0.00 -0.00 0.00 0.00 29.16 30.26 3kly h TRP 106 CO 0.46 0.13 0.22 -0.22 -0.00 0.00 0.00 178.44 179.03 3kly h LYS 107 N 0.44 0.40 -0.64 0.49 3.64 -1.98 0.26 116.57 119.18 3kly h LYS 107 Ca 0.31 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.59 3kly h LYS 107 Cb 0.36 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 3kly h LYS 107 CO -0.29 0.27 0.12 0.93 -2.27 0.00 0.00 179.45 178.21 3kly h GLU 108 N 0.42 1.03 0.30 1.90 5.08 -1.71 -0.69 114.58 120.90 3kly h GLU 108 Ca 0.26 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3kly h GLU 108 Cb 0.26 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3kly h GLU 108 CO -0.24 0.94 -0.14 1.25 -1.00 0.00 0.00 179.01 179.82 3kly h LEU 109 N 0.98 -0.34 -0.67 1.33 5.85 -0.17 -1.72 115.31 120.57 3kly h LEU 109 Ca 0.20 -0.15 0.11 0.00 0.84 0.00 0.00 57.88 58.88 3kly h LEU 109 Cb 0.39 0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.43 3kly h LEU 109 CO 0.01 -0.03 0.28 0.58 -0.34 0.00 0.00 178.44 178.93 3kly h VAL 110 N -0.66 0.75 -0.27 1.05 2.07 -0.49 0.63 116.25 119.33 3kly h VAL 110 Ca -0.04 -0.16 0.06 0.00 0.82 0.00 0.00 66.70 67.38 3kly h VAL 110 Cb 0.47 0.25 -0.08 0.00 -1.52 0.00 0.00 31.29 30.41 3kly h VAL 110 CO 0.07 0.08 -0.29 -0.09 0.02 0.00 0.00 177.57 177.36 3kly h ARG 111 N 0.46 -0.28 -0.84 1.57 9.65 -1.05 0.08 114.38 123.97 3kly h ARG 111 Ca 0.35 0.02 0.05 0.00 -1.10 0.00 0.00 59.98 59.30 3kly h ARG 111 Cb 0.45 0.06 -0.06 0.00 -1.39 0.00 0.00 29.97 29.03 3kly h ARG 111 CO -0.33 -0.19 0.53 -0.97 2.80 0.00 0.00 179.97 181.81 3kly h ASN 112 N -0.29 0.84 -0.94 -3.80 -1.24 -0.23 -1.51 115.58 108.41 3kly h ASN 112 Ca 0.14 0.01 0.02 0.00 0.71 0.00 0.00 56.30 57.18 3kly h ASN 112 Cb 0.51 -0.17 -0.05 0.00 0.73 0.00 0.00 38.32 39.35 3kly h ASN 112 CO -0.43 0.55 0.62 -0.25 -1.29 0.00 0.00 177.43 176.63 3kly h TRP 113 N 0.98 1.17 -0.42 0.67 7.01 -0.21 -1.96 115.95 123.19 3kly h TRP 113 Ca 0.36 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.36 3kly h TRP 113 Cb 0.12 -0.39 -0.02 0.00 -2.10 0.00 0.00 29.16 26.77 3kly h TRP 113 CO -0.03 0.71 0.17 1.15 -2.79 0.00 0.00 178.44 177.65 3kly h THR 114 N 1.24 1.20 -0.82 2.65 2.02 -0.05 -1.80 112.91 117.35 3kly h THR 114 Ca 0.36 -0.62 0.06 0.00 0.77 0.00 0.00 66.41 66.98 3kly h THR 114 Cb -0.08 0.81 -0.06 0.00 -1.74 0.00 0.00 68.15 67.09 3kly h THR 114 CO -0.10 0.23 0.51 0.58 0.37 0.00 0.00 175.52 177.11 3kly h VAL 115 N 0.54 1.05 -0.06 3.16 2.07 -0.87 -1.69 116.25 120.44 3kly h VAL 115 Ca 0.14 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 3kly h VAL 115 Cb 0.19 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 29.99 3kly h VAL 115 CO -0.01 0.17 -0.03 0.58 0.02 0.00 0.00 177.57 178.30 3kly h VAL 116 N 0.94 1.33 -0.80 2.57 2.07 -1.04 -0.11 116.25 121.21 3kly h VAL 116 Ca 0.35 -1.05 0.04 0.00 0.82 0.00 0.00 66.70 66.86 3kly h VAL 116 Cb 0.14 1.91 -0.05 0.00 -1.52 0.00 0.00 31.29 31.77 3kly h VAL 116 CO -0.16 0.29 0.50 0.22 0.02 0.00 0.00 177.57 178.44 3kly h TYR 117 N -0.26 0.94 -0.33 1.57 3.20 -1.22 0.39 116.97 121.26 3kly h TYR 117 Ca 0.01 0.03 -0.17 0.00 3.14 0.00 0.00 58.73 61.74 3kly h TYR 117 Cb 0.48 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 38.44 3kly h TYR 117 CO 0.07 0.52 -0.47 0.35 -1.64 0.00 0.00 178.16 177.00 3kly h PHE 118 N 0.96 1.09 -0.52 -3.82 3.57 -1.26 -2.12 116.94 114.84 3kly h PHE 118 Ca 0.33 -0.36 0.00 0.00 3.53 0.00 0.00 57.97 61.47 3kly h PHE 118 Cb 0.05 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.55 3kly h PHE 118 CO -0.03 1.18 0.33 0.78 -2.23 0.00 0.00 178.31 178.34 3kly h GLY 119 N 0.76 0.75 0.51 2.40 0.00 -0.61 -1.28 103.07 105.59 3kly h GLY 119 Ca 0.04 -0.29 0.09 0.00 0.00 0.00 0.00 47.33 47.16 3kly h GLY 119 CO 0.11 0.29 0.37 3.43 0.00 0.00 0.00 176.54 180.73 3kly h ASN 120 N 0.70 0.49 0.00 0.19 2.35 -0.80 -0.68 115.58 117.84 3kly h ASN 120 Ca 0.19 0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.99 3kly h ASN 120 Cb -0.05 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.29 3kly h ASN 120 CO -0.04 0.29 -0.00 0.25 -1.65 0.00 0.00 177.43 176.28 3kly h LEU 121 N 0.63 -0.01 -0.64 1.61 5.85 -0.99 -1.14 115.31 120.63 3kly h LEU 121 Ca 0.34 -0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.98 3kly h LEU 121 Cb 0.34 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 3kly h LEU 121 CO -0.25 0.13 0.36 0.00 -0.34 0.00 0.00 178.44 178.33 3kly h GLY 123 N 0.67 1.08 0.95 0.00 0.00 -1.06 -0.80 103.07 103.92 3kly h GLY 123 Ca 0.28 -0.48 -0.03 0.00 0.00 0.00 0.00 47.33 47.10 3kly h GLY 123 CO -0.16 0.46 0.14 1.76 0.00 0.00 0.00 176.54 178.74 3kly h SER 124 N 1.01 0.64 -0.22 0.19 0.02 -0.21 -2.55 113.55 112.42 3kly h SER 124 Ca 0.26 -0.20 -0.11 0.00 -0.84 0.00 0.00 61.79 60.90 3kly h SER 124 Cb 0.01 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.38 3kly h SER 124 CO -0.04 0.67 -0.28 0.40 -1.14 0.00 0.00 176.83 176.43 3kly h ILE 125 N 0.57 1.32 -0.73 3.27 1.08 -0.76 -2.07 117.51 120.20 3kly h ILE 125 Ca 0.14 -1.47 0.14 0.00 -0.39 0.00 0.00 64.86 63.28 3kly h ILE 125 Cb 0.26 1.76 -0.14 0.00 -3.07 0.00 0.00 36.82 35.63 3kly h ILE 125 CO -0.01 0.46 -0.23 0.40 -0.69 0.00 0.00 178.15 178.08 3kly h ILE 126 N 0.27 0.22 -0.30 -0.67 2.04 -1.15 -1.62 117.51 116.30 3kly h ILE 126 Ca 0.03 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.81 3kly h ILE 126 Cb 0.85 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 3kly h ILE 126 CO 0.07 0.00 -0.16 0.25 0.00 0.00 0.00 178.15 178.31 3kly h LEU 127 N -0.04 0.51 -0.17 1.44 5.85 -1.20 -2.68 115.31 119.02 3kly h LEU 127 Ca 0.33 -0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.95 3kly h LEU 127 Cb 0.55 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.40 3kly h LEU 127 CO -0.77 0.69 -0.12 0.58 -0.34 0.00 0.00 178.44 178.49 3kly h VAL 128 N 0.48 0.64 -0.65 1.05 2.07 -0.60 -0.88 116.25 118.36 3kly h VAL 128 Ca 0.08 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.54 3kly h VAL 128 Cb 0.55 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 3kly h VAL 128 CO 0.04 0.00 0.17 -0.26 0.02 0.00 0.00 177.57 177.53 3kly h PHE 129 N -0.12 1.07 -0.60 1.57 0.04 -1.18 -1.24 116.94 116.47 3kly h PHE 129 Ca 0.10 -0.11 -0.10 0.00 2.80 0.00 0.00 57.97 60.66 3kly h PHE 129 Cb 0.28 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 38.10 3kly h PHE 129 CO -0.26 0.87 -0.02 0.82 -0.60 0.00 0.00 178.31 179.11 3kly h ILE 130 N 0.98 1.27 -0.24 -0.55 2.04 -1.32 -2.39 117.51 117.29 3kly h ILE 130 Ca 0.21 -1.18 -0.14 0.00 1.00 0.00 0.00 64.86 64.74 3kly h ILE 130 Cb 0.33 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 3kly h ILE 130 CO -0.00 0.43 -0.44 0.24 0.00 0.00 0.00 178.15 178.38 3kly h MET 131 N 0.98 0.61 -0.47 2.37 2.86 -0.90 -1.98 114.93 118.39 3kly h MET 131 Ca 0.17 -0.33 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 3kly h MET 131 Cb 0.59 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.24 3kly h MET 131 CO 0.04 0.93 0.31 -0.07 1.06 0.00 0.00 176.91 179.17 3kly h LEU 132 N 0.49 0.54 -1.78 1.22 3.38 -1.21 -2.26 115.31 115.69 3kly h LEU 132 Ca 0.03 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.01 3kly h LEU 132 Cb 0.96 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 3kly h LEU 132 CO 0.09 0.40 0.19 0.00 0.09 0.00 0.00 178.44 179.21 3kly h ALA 133 N 1.17 1.90 0.00 1.53 0.00 -1.10 0.20 119.26 122.95 3kly h ALA 133 Ca 0.17 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3kly h ALA 133 Cb -0.06 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3kly h ALA 133 CO -0.04 0.07 -0.01 1.79 0.00 0.00 0.00 179.25 181.06 3kly h THR 134 N 0.30 0.04 -0.96 0.00 1.35 -0.75 -3.46 112.91 109.42 3kly h THR 134 Ca 0.11 -0.37 -0.41 0.00 -0.55 0.00 0.00 66.41 65.19 3kly h THR 134 Cb 0.09 1.35 -0.16 0.00 -1.73 0.00 0.00 68.15 67.70 3kly h THR 134 CO -0.02 0.01 -0.37 0.54 -0.25 0.00 0.00 175.52 175.42 3kly n ARG 135 N -3.12 -1.44 -0.24 4.72 1.74 0.06 -4.86 116.66 113.52 3kly n ARG 135 Ca -0.01 1.21 0.27 0.00 -0.77 0.00 0.00 57.85 58.55 3kly n ARG 135 Cb 0.23 -5.58 0.65 0.00 -1.02 0.00 0.00 32.46 26.74 3kly n ARG 135 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 3kly h GLN 136 N 0.00 0.14 0.00 5.56 4.15 -1.82 -0.65 115.11 122.48 3kly h GLN 136 Ca -0.41 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.00 3kly h GLN 136 Cb 1.33 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.99 3kly h GLN 136 CO 0.60 0.09 0.08 0.27 -1.93 0.00 0.00 178.83 177.94 3kly h PHE 137 N 0.14 0.00 0.00 3.99 -5.15 -1.89 0.14 116.94 114.18 3kly h PHE 137 Ca 0.48 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.25 3kly h PHE 137 Cb 1.66 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.83 3kly h PHE 137 CO -0.00 0.00 0.00 0.52 -2.00 0.00 0.00 178.31 176.83 3kly h MET 138 N 0.00 0.00 -7.15 6.09 2.86 -1.45 -1.19 114.93 114.09 3kly h MET 138 Ca 0.00 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 57.10 3kly h MET 138 Cb 0.15 0.00 0.16 0.00 0.06 0.00 0.00 31.60 31.97 3kly h MET 138 CO 0.00 0.00 0.43 -1.21 1.06 0.00 0.00 176.91 177.19 3kly s GLU 139 N -3.17 2.26 -1.28 1.72 0.41 0.04 -0.52 118.70 118.15 3kly s GLU 139 Ca 0.09 1.85 -0.03 0.00 -0.41 0.00 0.00 54.97 56.48 3kly s GLU 139 Cb 0.11 -1.84 0.01 0.00 -1.78 0.00 0.00 34.13 30.63 3kly s GLU 139 CO 0.58 -1.77 0.95 -3.47 -0.49 0.00 0.00 175.26 171.06 3kly n ASP 140 N -2.47 -2.73 -2.01 -0.19 2.03 -1.26 -1.28 116.55 108.64 3kly n ASP 140 Ca 0.14 -0.67 -0.21 0.00 0.52 0.00 0.00 54.79 54.57 3kly n ASP 140 Cb 0.50 -4.74 -0.05 0.00 -0.72 0.00 0.00 41.12 36.11 3kly n ASP 140 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kly n GLY 141 N -1.43 0.67 1.52 0.27 0.00 -1.23 -1.68 105.19 103.32 3kly n GLY 141 Ca -0.22 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3kly n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kly n GLY 142 N -0.73 0.76 0.26 -0.02 0.00 0.32 -4.33 105.19 101.44 3kly n GLY 142 Ca -0.23 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.91 3kly n GLY 142 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3kly h GLN 143 N 3.93 0.00 -0.22 1.61 1.08 -1.06 -1.75 115.11 118.70 3kly h GLN 143 Ca 0.00 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.04 3kly h GLN 143 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 3kly h GLN 143 CO 0.00 0.13 -0.49 1.25 -0.95 0.00 0.00 178.83 178.77 3kly h LEU 144 N 0.00 0.81 -0.52 1.46 6.46 -1.70 0.48 115.31 122.31 3kly h LEU 144 Ca -0.00 -0.56 -0.07 0.00 -0.12 0.00 0.00 57.88 57.14 3kly h LEU 144 Cb 0.37 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 40.04 3kly h LEU 144 CO 0.02 1.22 0.07 1.23 -0.62 0.00 0.00 178.44 180.36 3kly h GLY 145 N 0.44 0.94 0.92 3.75 0.00 -0.79 -0.32 103.07 108.00 3kly h GLY 145 Ca 0.00 -0.64 0.02 0.00 0.00 0.00 0.00 47.33 46.72 3kly h GLY 145 CO 0.11 0.59 0.43 1.41 0.00 0.00 0.00 176.54 179.08 3kly h LEU 146 N 0.75 0.72 0.10 3.11 3.38 -1.27 -0.53 115.31 121.58 3kly h LEU 146 Ca 0.16 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3kly h LEU 146 Cb 0.42 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3kly h LEU 146 CO 0.01 0.51 -0.05 -1.13 0.09 0.00 0.00 178.44 177.87 3kly h ASN 147 N 0.86 -0.12 -0.79 -0.43 -1.24 -0.65 -0.41 115.58 112.80 3kly h ASN 147 Ca 0.26 -0.02 0.10 0.00 0.71 0.00 0.00 56.30 57.36 3kly h ASN 147 Cb -0.02 0.03 -0.08 0.00 0.73 0.00 0.00 38.32 38.98 3kly h ASN 147 CO -0.09 -0.06 0.42 0.00 -1.29 0.00 0.00 177.43 176.41 3kly h ALA 148 N 0.74 1.12 -0.43 1.57 0.00 -0.80 -0.57 119.26 120.89 3kly h ALA 148 Ca -0.01 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 3kly h ALA 148 Cb 0.13 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3kly h ALA 148 CO 0.02 0.01 -0.11 0.52 0.00 0.00 0.00 179.25 179.69 3kly h MET 149 N 0.69 0.83 -0.78 0.00 2.86 -0.84 -2.80 114.93 114.90 3kly h MET 149 Ca 0.39 -0.32 -0.05 0.00 -2.06 0.00 0.00 59.70 57.65 3kly h MET 149 Cb 0.42 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.00 3kly h MET 149 CO -0.28 0.95 0.28 0.00 1.06 0.00 0.00 176.91 178.92 3kly h ALA 150 N 0.85 1.03 -0.65 6.32 0.00 -0.53 0.56 119.26 126.85 3kly h ALA 150 Ca 0.11 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.84 3kly h ALA 150 Cb 0.65 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 3kly h ALA 150 CO 0.04 0.67 0.39 0.82 0.00 0.00 0.00 179.25 181.18 3kly h ILE 151 N 1.14 1.07 0.00 0.00 2.04 -1.06 -1.61 117.51 119.09 3kly h ILE 151 Ca 0.25 -0.26 -0.19 0.00 1.00 0.00 0.00 64.86 65.66 3kly h ILE 151 Cb 0.26 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 3kly h ILE 151 CO -0.02 0.14 -0.87 0.28 0.00 0.00 0.00 178.15 177.69 3kly h SER 152 N 0.77 0.23 -0.50 1.72 0.02 -1.18 -3.15 113.55 111.45 3kly h SER 152 Ca 0.26 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 3kly h SER 152 Cb 0.04 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 3kly h SER 152 CO -0.11 0.99 0.25 1.56 -1.14 0.00 0.00 176.83 178.38 3kly h GLN 153 N 0.10 0.71 0.00 3.45 4.20 -0.62 -1.99 115.11 120.95 3kly h GLN 153 Ca -0.04 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.57 3kly h GLN 153 Cb 1.49 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 29.14 3kly h GLN 153 CO 0.13 0.58 -0.01 1.25 -0.67 0.00 0.00 178.83 180.11 3kly h HIS 154 N 0.66 0.00 -0.00 2.96 2.76 -1.28 -0.76 115.15 119.49 3kly h HIS 154 Ca 0.17 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.34 3kly h HIS 154 Cb 0.09 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.05 3kly h HIS 154 CO -0.01 0.01 -0.08 1.63 -1.30 0.00 0.00 177.93 178.17 3kly n LYS 155 N -3.19 0.52 -0.02 5.26 5.02 -0.75 -4.10 118.16 120.90 3kly n LYS 155 Ca -0.03 -0.12 0.07 0.00 -2.02 0.00 0.00 58.31 56.22 3kly n LYS 155 Cb 0.10 -1.50 0.07 0.00 -0.02 0.00 0.00 35.03 33.69 3kly n LYS 155 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3kly n LEU 156 N -1.13 2.31 -0.41 -0.35 4.77 -0.29 -4.54 117.00 117.36 3kly n LEU 156 Ca 0.14 -1.09 0.07 0.00 -0.03 0.00 0.00 56.01 55.10 3kly n LEU 156 Cb 0.27 -0.03 0.18 0.00 -2.33 0.00 0.00 43.42 41.52 3kly n LEU 156 CO 0.24 0.44 0.44 1.41 -1.33 0.00 0.00 177.39 178.59 3kly n HIS 157 N 0.83 0.00 -2.31 -1.77 8.25 -1.25 -4.89 115.22 114.08 3kly n HIS 157 Ca 0.09 -1.32 -0.32 0.00 -0.26 0.00 0.00 57.72 55.91 3kly n HIS 157 Cb 0.38 -0.21 -0.02 0.00 1.12 0.00 0.00 29.99 31.25 3kly n HIS 157 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3kly s HIS 158 N -3.11 3.36 0.76 4.41 3.76 -1.26 -5.06 115.29 118.15 3kly s HIS 158 Ca 0.36 1.47 -0.11 0.00 -0.15 0.00 0.00 55.06 56.63 3kly s HIS 158 Cb 0.34 -2.83 0.05 0.00 1.11 0.00 0.00 32.58 31.24 3kly s HIS 158 CO -0.03 -0.53 1.08 0.95 -0.85 0.00 0.00 174.74 175.36 3kly s THR 159 N -2.61 3.49 0.15 1.30 -4.23 -1.26 -4.84 115.64 107.64 3kly s THR 159 Ca 0.60 0.48 -0.18 0.00 -1.18 0.00 0.00 61.69 61.41 3kly s THR 159 Cb -0.11 -3.04 0.02 0.00 1.34 0.00 0.00 72.50 70.71 3kly s THR 159 CO 0.33 -0.63 1.71 0.15 -0.54 0.00 0.00 174.62 175.63 3kly h PHE 160 N -1.03 -0.04 -0.66 3.99 3.04 -1.97 0.10 116.94 120.37 3kly h PHE 160 Ca -0.44 0.02 0.08 0.00 3.98 0.00 0.00 57.97 61.61 3kly h PHE 160 Cb 1.23 0.06 -0.06 0.00 2.56 0.00 0.00 35.95 39.74 3kly h PHE 160 CO 0.58 -0.07 0.33 1.25 -2.02 0.00 0.00 178.31 178.39 3kly h LEU 161 N 0.07 0.44 -0.25 0.59 5.85 -1.98 0.30 115.31 120.33 3kly h LEU 161 Ca 0.14 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 3kly h LEU 161 Cb 0.19 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 3kly h LEU 161 CO -0.25 0.27 0.13 -0.61 -0.34 0.00 0.00 178.44 177.65 3kly h GLN 162 N 0.59 0.34 -0.69 1.25 4.15 -1.70 -0.45 115.11 118.60 3kly h GLN 162 Ca 0.31 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.65 3kly h GLN 162 Cb 0.28 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.88 3kly h GLN 162 CO -0.23 0.31 0.26 0.00 -1.93 0.00 0.00 178.83 177.23 3kly h ALA 163 N 1.01 0.90 -0.06 3.38 0.00 -0.61 -1.55 119.26 122.34 3kly h ALA 163 Ca 0.09 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.82 3kly h ALA 163 Cb 0.07 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3kly h ALA 163 CO -0.01 0.54 -0.06 0.35 0.00 0.00 0.00 179.25 180.06 3kly h PHE 164 N 0.99 -0.14 -0.27 0.00 3.57 -0.60 -1.76 116.94 118.72 3kly h PHE 164 Ca 0.23 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.68 3kly h PHE 164 Cb 0.24 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 3kly h PHE 164 CO 0.02 -0.09 -0.09 0.00 -2.23 0.00 0.00 178.31 175.91 3kly h ALA 165 N 0.97 1.34 -0.10 2.41 0.00 -0.88 -0.71 119.26 122.29 3kly h ALA 165 Ca 0.04 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 3kly h ALA 165 Cb 0.14 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3kly h ALA 165 CO -0.10 0.45 -0.37 -0.07 0.00 0.00 0.00 179.25 179.16 3kly h LEU 166 N 0.42 0.21 0.09 0.00 3.38 -1.04 -1.84 115.31 116.53 3kly h LEU 166 Ca 0.08 -0.08 -0.27 0.00 0.09 0.00 0.00 57.88 57.70 3kly h LEU 166 Cb 0.42 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.12 3kly h LEU 166 CO 0.02 0.56 -1.22 1.23 0.09 0.00 0.00 178.44 179.13 3kly h GLY 167 N 1.15 0.37 0.85 0.83 0.00 -0.65 -1.22 103.07 104.40 3kly h GLY 167 Ca 0.02 -0.89 -0.01 0.00 0.00 0.00 0.00 47.33 46.45 3kly h GLY 167 CO 0.06 0.78 -0.24 -2.00 0.00 0.00 0.00 176.54 175.13 3kly h LEU 168 N 0.11 -0.62 -1.03 3.11 5.85 -0.99 -2.64 115.31 119.09 3kly h LEU 168 Ca -0.14 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.66 3kly h LEU 168 Cb 1.93 0.19 -0.06 0.00 0.37 0.00 0.00 40.66 43.09 3kly h LEU 168 CO 0.21 -0.38 0.65 0.24 -0.34 0.00 0.00 178.44 178.81 3kly h MET 169 N -0.59 1.21 -0.05 1.25 2.86 -1.42 -2.41 114.93 115.78 3kly h MET 169 Ca -0.03 -0.07 0.03 0.00 -2.06 0.00 0.00 59.70 57.57 3kly h MET 169 Cb 0.50 -0.27 -0.04 0.00 0.06 0.00 0.00 31.60 31.84 3kly h MET 169 CO 0.02 0.80 -0.20 0.00 1.06 0.00 0.00 176.91 178.60 3kly h ASN 171 N -0.29 0.00 -0.25 0.00 -0.00 -1.26 -1.02 115.58 112.76 3kly h ASN 171 Ca 0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 56.36 3kly h ASN 171 Cb 0.40 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.71 3kly h ASN 171 CO -0.22 0.07 0.11 0.40 -0.00 0.00 0.00 177.43 177.78 3kly h ILE 172 N 0.00 1.16 -0.39 2.57 2.04 -1.26 -0.29 117.51 121.34 3kly h ILE 172 Ca -0.00 -0.49 -0.04 0.00 1.00 0.00 0.00 64.86 65.33 3kly h ILE 172 Cb 0.86 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.94 3kly h ILE 172 CO 0.01 0.17 0.08 -0.07 0.00 0.00 0.00 178.15 178.33 3kly h LEU 173 N 0.26 0.60 -0.34 1.44 -0.00 -0.87 -2.17 115.31 114.24 3kly h LEU 173 Ca 0.08 -0.25 -0.02 0.00 -0.00 0.00 0.00 57.88 57.70 3kly h LEU 173 Cb 0.16 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 40.65 3kly h LEU 173 CO -0.01 0.69 0.13 0.58 -0.00 0.00 0.00 178.44 179.84 3kly h VAL 174 N 0.48 1.19 -0.77 1.22 2.07 -1.17 -1.17 116.25 118.11 3kly h VAL 174 Ca 0.12 -0.58 -0.04 0.00 0.82 0.00 0.00 66.70 67.03 3kly h VAL 174 Cb 0.34 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 3kly h VAL 174 CO 0.00 0.20 0.34 0.00 0.02 0.00 0.00 177.57 178.14 3kly h LEU 176 N 1.09 0.33 -0.23 0.00 3.38 -1.27 0.20 115.31 118.81 3kly h LEU 176 Ca 0.26 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.25 3kly h LEU 176 Cb 0.16 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3kly h LEU 176 CO -0.03 0.24 0.10 0.00 0.09 0.00 0.00 178.44 178.84 3kly h ALA 177 N 1.14 0.26 -0.37 1.53 0.00 -0.74 -1.53 119.26 119.55 3kly h ALA 177 Ca 0.13 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 3kly h ALA 177 Cb -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3kly h ALA 177 CO -0.06 -0.31 -0.29 0.28 0.00 0.00 0.00 179.25 178.87 3kly h VAL 178 N 0.22 1.28 -0.49 0.00 2.07 -1.02 -2.79 116.25 115.52 3kly h VAL 178 Ca 0.09 -1.46 0.09 0.00 0.82 0.00 0.00 66.70 66.25 3kly h VAL 178 Cb 0.04 1.38 -0.08 0.00 -1.52 0.00 0.00 31.29 31.11 3kly h VAL 178 CO -0.08 0.48 0.02 -0.25 0.02 0.00 0.00 177.57 177.77 3kly h TRP 179 N 0.66 0.00 -0.71 1.57 2.91 -0.36 -0.60 115.95 119.43 3kly h TRP 179 Ca 0.07 0.03 0.09 0.00 1.13 0.00 0.00 58.89 60.21 3kly h TRP 179 Cb 0.87 0.07 -0.05 0.00 -0.51 0.00 0.00 29.16 29.55 3kly h TRP 179 CO 0.06 -0.09 0.47 0.52 -1.03 0.00 0.00 178.44 178.37 3kly h MET 180 N 0.14 0.60 0.00 2.65 2.86 -1.02 -1.44 114.93 118.71 3kly h MET 180 Ca 0.25 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 3kly h MET 180 Cb 0.37 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.89 3kly h MET 180 CO -0.39 0.40 0.00 0.25 1.06 0.00 0.00 176.91 178.22 3kly n THR 181 N -4.49 0.84 0.32 2.22 -2.24 -0.24 -1.88 114.28 108.81 3kly n THR 181 Ca 0.11 0.20 0.16 0.00 -2.27 0.00 0.00 64.05 62.25 3kly n THR 181 Cb 0.32 -1.05 0.64 0.00 -2.10 0.00 0.00 70.33 68.14 3kly n THR 181 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3kly h PHE 182 N 0.00 0.00 -0.41 4.78 0.04 -1.13 -2.25 116.94 117.98 3kly h PHE 182 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3kly h PHE 182 Cb 0.36 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.51 3kly h PHE 182 CO 0.00 0.00 0.00 0.43 -0.60 0.00 0.00 178.31 178.14 3kly n SER 183 N -2.78 3.28 -4.77 2.17 7.64 -0.79 -4.98 113.62 113.40 3kly n SER 183 Ca 0.01 -1.97 -0.38 0.00 1.01 0.00 0.00 58.87 57.54 3kly n SER 183 Cb 0.26 -0.26 -0.01 0.00 -1.01 0.00 0.00 64.21 63.18 3kly n SER 183 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kly s ALA 184 N -1.47 3.14 -1.28 -0.43 0.00 -0.85 -4.96 121.76 115.91 3kly s ALA 184 Ca 0.39 1.03 0.11 0.00 0.00 0.00 0.00 51.96 53.49 3kly s ALA 184 Cb 0.22 -3.41 0.06 0.00 0.00 0.00 0.00 23.12 19.99 3kly s ALA 184 CO 0.31 -0.64 0.79 0.54 0.00 0.00 0.00 175.76 176.76 3kly n ARG 185 N -0.04 1.15 -3.80 0.00 1.74 -1.26 -5.04 116.66 109.42 3kly n ARG 185 Ca 0.05 -0.98 -0.05 0.00 -0.77 0.00 0.00 57.85 56.10 3kly n ARG 185 Cb 0.46 -1.18 -0.01 0.00 -1.02 0.00 0.00 32.46 30.71 3kly n ARG 185 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3kly s SER 186 N -1.15 -0.20 0.27 0.55 1.04 -1.26 -5.01 113.70 107.94 3kly s SER 186 Ca 0.12 -0.50 -0.00 0.00 0.48 0.00 0.00 55.95 56.05 3kly s SER 186 Cb 0.09 0.58 0.37 0.00 0.10 0.00 0.00 66.02 67.17 3kly s SER 186 CO 0.19 -1.07 1.75 -0.07 0.98 0.00 0.00 173.24 175.02 3kly h LEU 187 N 2.00 0.64 -0.84 2.42 3.38 -2.00 -2.56 115.31 118.35 3kly h LEU 187 Ca -0.22 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.58 3kly h LEU 187 Cb 1.24 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.77 3kly h LEU 187 CO 0.25 0.78 0.56 0.74 0.09 0.00 0.00 178.44 180.86 3kly h THR 188 N 0.60 1.20 -0.70 0.22 2.02 -2.00 -1.23 112.91 113.02 3kly h THR 188 Ca 0.11 -0.39 0.09 0.00 0.77 0.00 0.00 66.41 66.99 3kly h THR 188 Cb 0.54 -0.02 -0.07 0.00 -1.74 0.00 0.00 68.15 66.85 3kly h THR 188 CO 0.03 0.21 0.35 0.44 0.37 0.00 0.00 175.52 176.92 3kly h ASP 189 N 1.13 0.46 -0.12 4.18 5.19 -1.86 -0.88 116.42 124.52 3kly h ASP 189 Ca 0.31 0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 56.77 3kly h ASP 189 Cb -0.10 -0.02 -0.00 0.00 0.18 0.00 0.00 39.33 39.38 3kly h ASP 189 CO -0.08 0.27 0.02 0.11 -3.12 0.00 0.00 179.24 176.44 3kly h LYS 190 N 0.60 0.20 -0.18 3.56 1.57 -1.11 -2.60 116.57 118.62 3kly h LYS 190 Ca 0.34 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 59.10 3kly h LYS 190 Cb 0.35 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 3kly h LYS 190 CO -0.26 0.39 0.02 0.28 -0.57 0.00 0.00 179.45 179.31 3kly h VAL 191 N -0.02 0.90 0.00 0.50 2.07 -0.96 -2.37 116.25 116.38 3kly h VAL 191 Ca 0.04 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 3kly h VAL 191 Cb 0.28 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 30.86 3kly h VAL 191 CO 0.00 0.02 -0.05 0.24 0.02 0.00 0.00 177.57 177.79 3kly h MET 192 N 0.09 0.00 0.00 1.57 2.86 -1.12 -2.54 114.93 115.79 3kly h MET 192 Ca 0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 3kly h MET 192 Cb 0.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.75 3kly h MET 192 CO -0.12 0.05 -1.27 1.33 1.06 0.00 0.00 176.91 177.97 3kly n VAL 193 N -4.36 0.25 0.08 -2.22 0.24 -0.99 -4.29 118.33 107.05 3kly n VAL 193 Ca -0.03 -0.39 0.01 0.00 -2.04 0.00 0.00 64.34 61.89 3kly n VAL 193 Cb 0.14 0.02 -0.04 0.00 -1.47 0.00 0.00 33.84 32.49 3kly n VAL 193 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 3kly h LEU 194 N 0.00 0.00 -0.00 1.34 3.38 -1.02 -3.41 115.31 115.60 3kly h LEU 194 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kly h LEU 194 Cb 0.87 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 3kly h LEU 194 CO 0.00 0.54 0.00 0.40 0.09 0.00 0.00 178.44 179.47 3kly h ILE 195 N 0.00 1.23 -0.17 1.22 2.04 -1.67 -2.94 117.51 117.22 3kly h ILE 195 Ca -0.09 -0.68 -0.08 0.00 1.00 0.00 0.00 64.86 65.01 3kly h ILE 195 Cb 1.49 1.69 -0.00 0.00 -0.74 0.00 0.00 36.82 39.26 3kly h ILE 195 CO 0.06 0.18 -0.22 -0.07 0.00 0.00 0.00 178.15 178.10 3kly h LEU 196 N -0.28 0.48 -1.14 1.44 3.38 -1.83 -1.49 115.31 115.87 3kly h LEU 196 Ca 0.00 -0.51 0.02 0.00 0.09 0.00 0.00 57.88 57.48 3kly h LEU 196 Cb 0.29 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 3kly h LEU 196 CO 0.00 0.89 0.59 -0.65 0.09 0.00 0.00 178.44 179.36 3kly h PRO 197 N 0.08 1.14 -0.03 1.13 0.11 -1.78 0.18 132.00 132.83 3kly h PRO 197 Ca 0.02 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 3kly h PRO 197 Cb 0.78 -0.26 -0.00 0.00 0.11 0.00 0.00 31.00 31.63 3kly h PRO 197 CO 0.05 0.75 -0.02 0.28 -0.21 0.00 0.00 178.00 178.86 3kly h VAL 198 N 1.17 1.35 -0.85 3.15 2.07 -1.48 -1.87 116.25 119.79 3kly h VAL 198 Ca 0.33 -1.06 0.11 0.00 0.82 0.00 0.00 66.70 66.90 3kly h VAL 198 Cb -0.09 2.00 -0.06 0.00 -1.52 0.00 0.00 31.29 31.62 3kly h VAL 198 CO -0.08 0.28 0.55 0.00 0.02 0.00 0.00 177.57 178.34 3kly h ALA 199 N 0.58 1.73 0.28 1.67 0.00 -1.06 -0.21 119.26 122.25 3kly h ALA 199 Ca 0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3kly h ALA 199 Cb 0.46 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3kly h ALA 199 CO 0.00 0.08 -0.13 1.98 0.00 0.00 0.00 179.25 181.18 3kly h MET 200 N 0.77 -0.36 -0.53 0.00 -1.53 -0.51 -0.19 114.93 112.58 3kly h MET 200 Ca 0.40 0.02 -0.08 0.00 -3.44 0.00 0.00 59.70 56.60 3kly h MET 200 Cb 0.49 0.08 -0.02 0.00 -0.55 0.00 0.00 31.60 31.60 3kly h MET 200 CO -0.17 -0.13 0.00 0.27 0.14 0.00 0.00 176.91 177.03 3kly h PHE 201 N -0.54 0.96 -0.17 1.39 -5.15 -0.79 -2.34 116.94 110.30 3kly h PHE 201 Ca -0.04 -0.15 -0.04 0.00 -0.20 0.00 0.00 57.97 57.55 3kly h PHE 201 Cb 0.40 -0.26 -0.01 0.00 0.22 0.00 0.00 35.95 36.30 3kly h PHE 201 CO -0.01 0.87 -0.05 0.28 -2.00 0.00 0.00 178.31 177.40 3kly h VAL 202 N 0.83 1.29 0.00 0.88 2.07 -1.04 -1.65 116.25 118.63 3kly h VAL 202 Ca 0.16 -1.02 -0.02 0.00 0.82 0.00 0.00 66.70 66.63 3kly h VAL 202 Cb 0.49 1.62 -0.00 0.00 -1.52 0.00 0.00 31.29 31.87 3kly h VAL 202 CO 0.02 0.30 -0.11 0.77 0.02 0.00 0.00 177.57 178.57 3kly h SER 203 N 0.04 0.00 0.47 0.57 4.64 -0.94 -1.99 113.55 116.34 3kly h SER 203 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3kly h SER 203 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 3kly h SER 203 CO 0.02 0.11 -0.15 -1.20 -0.87 0.00 0.00 176.83 174.74 3kly n SER 204 N -3.42 0.42 -0.07 4.97 7.64 -0.89 -4.88 113.62 117.38 3kly n SER 204 Ca -0.01 -0.38 -0.01 0.00 1.01 0.00 0.00 58.87 59.48 3kly n SER 204 Cb 0.28 -0.09 -0.00 0.00 -1.01 0.00 0.00 64.21 63.39 3kly n SER 204 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kly n GLY 205 N 1.34 0.49 3.75 0.23 0.00 -0.75 -5.01 105.19 105.24 3kly n GLY 205 Ca 0.12 -0.34 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 3kly n GLY 205 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kly s PHE 206 N -1.95 2.35 -0.18 1.61 0.08 -0.63 -4.97 117.98 114.28 3kly s PHE 206 Ca 0.00 1.46 -0.04 0.00 0.12 0.00 0.00 56.93 58.47 3kly s PHE 206 Cb 0.00 -3.62 -0.02 0.00 -0.57 0.00 0.00 43.02 38.80 3kly s PHE 206 CO 0.00 -2.51 -0.03 -1.21 -0.10 0.00 0.00 175.22 171.37 3kly s GLU 207 N -3.11 3.59 -0.20 0.44 0.41 -0.50 -4.75 118.70 114.57 3kly s GLU 207 Ca 0.75 -0.54 -0.03 0.00 -0.41 0.00 0.00 54.97 54.73 3kly s GLU 207 Cb -0.35 -2.99 -0.01 0.00 -1.78 0.00 0.00 34.13 29.00 3kly s GLU 207 CO 0.40 0.08 -0.07 -1.58 -0.49 0.00 0.00 175.26 173.60 3kly s HIS 208 N 0.80 2.93 0.34 1.61 5.65 -1.26 -4.08 115.29 121.28 3kly s HIS 208 Ca -0.01 -0.95 0.03 0.00 0.25 0.00 0.00 55.06 54.38 3kly s HIS 208 Cb -0.14 -2.05 0.61 0.00 -1.18 0.00 0.00 32.58 29.81 3kly s HIS 208 CO 0.02 -0.52 1.94 0.00 -0.65 0.00 0.00 174.74 175.53 3kly h ILE 210 N 0.70 1.43 -0.91 0.00 1.08 -1.98 -2.33 117.51 115.49 3kly h ILE 210 Ca 0.17 -1.77 0.13 0.00 -0.39 0.00 0.00 64.86 63.00 3kly h ILE 210 Cb 0.11 2.38 -0.09 0.00 -3.07 0.00 0.00 36.82 36.15 3kly h ILE 210 CO -0.02 0.51 0.53 0.00 -0.69 0.00 0.00 178.15 178.48 3kly h ALA 211 N 0.41 1.37 0.00 1.87 0.00 -1.82 -0.74 119.26 120.36 3kly h ALA 211 Ca -0.03 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3kly h ALA 211 Cb 1.00 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 3kly h ALA 211 CO 0.07 0.08 -0.19 -0.91 0.00 0.00 0.00 179.25 178.30 3kly h ASN 212 N 0.82 0.00 0.18 0.00 2.35 -1.00 -1.70 115.58 116.24 3kly h ASN 212 Ca 0.47 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.19 3kly h ASN 212 Cb 0.54 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.91 3kly h ASN 212 CO -0.30 0.19 -0.12 0.24 -1.65 0.00 0.00 177.43 175.79 3kly h MET 213 N 0.00 0.00 0.00 0.81 2.86 -0.56 -1.91 114.93 116.13 3kly h MET 213 Ca -0.00 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 3kly h MET 213 Cb 0.40 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 3kly h MET 213 CO 0.02 0.12 -0.35 0.35 1.06 0.00 0.00 176.91 178.12 3kly h PHE 214 N 0.00 0.00 -0.42 -0.22 3.57 -1.39 -3.40 116.94 115.08 3kly h PHE 214 Ca -0.00 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 3kly h PHE 214 Cb 0.24 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 3kly h PHE 214 CO 0.00 0.62 0.18 0.37 -2.23 0.00 0.00 178.31 177.25 3kly h GLN 215 N -1.00 0.62 -0.03 1.11 5.75 -1.14 -0.19 115.11 120.23 3kly h GLN 215 Ca -0.07 -0.11 -0.03 0.00 -0.15 0.00 0.00 58.65 58.30 3kly h GLN 215 Cb 0.67 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.12 3kly h GLN 215 CO -0.04 0.56 -0.09 0.28 -2.65 0.00 0.00 178.83 176.89 3kly h VAL 216 N 0.53 1.47 -0.45 2.39 2.07 -1.63 -2.32 116.25 118.31 3kly h VAL 216 Ca 0.14 -1.51 0.01 0.00 0.82 0.00 0.00 66.70 66.16 3kly h VAL 216 Cb 0.17 2.40 -0.02 0.00 -1.52 0.00 0.00 31.29 32.32 3kly h VAL 216 CO -0.01 0.41 0.30 -0.65 0.02 0.00 0.00 177.57 177.63 3kly h PRO 217 N -0.46 0.58 -0.64 1.57 0.11 -1.73 -0.39 132.00 131.04 3kly h PRO 217 Ca -0.00 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 66.12 3kly h PRO 217 Cb 0.71 -0.13 -0.05 0.00 0.11 0.00 0.00 31.00 31.64 3kly h PRO 217 CO 0.02 0.38 0.36 1.98 -0.21 0.00 0.00 178.00 180.54 3kly h MET 218 N 0.60 0.67 -0.31 1.05 1.85 -0.91 0.42 114.93 118.30 3kly h MET 218 Ca 0.17 -0.04 -0.15 0.00 -0.61 0.00 0.00 59.70 59.07 3kly h MET 218 Cb -0.04 -0.15 -0.01 0.00 0.43 0.00 0.00 31.60 31.83 3kly h MET 218 CO -0.04 0.44 -0.42 0.00 -0.40 0.00 0.00 176.91 176.49 3kly h ALA 219 N 1.32 0.68 -0.71 0.39 0.00 -0.79 -1.13 119.26 119.02 3kly h ALA 219 Ca 0.28 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3kly h ALA 219 Cb 0.13 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3kly h ALA 219 CO -0.16 0.67 0.46 0.82 0.00 0.00 0.00 179.25 181.04 3kly h ILE 220 N 0.62 1.19 -0.55 0.00 2.04 -0.71 -1.29 117.51 118.81 3kly h ILE 220 Ca 0.05 -0.37 -0.04 0.00 1.00 0.00 0.00 64.86 65.50 3kly h ILE 220 Cb 0.98 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 3kly h ILE 220 CO 0.09 0.19 0.20 1.23 0.00 0.00 0.00 178.15 179.86 3kly h GLY 221 N 0.96 0.90 0.94 5.37 0.00 -0.67 -2.12 103.07 108.45 3kly h GLY 221 Ca 0.26 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 3kly h GLY 221 CO -0.05 0.48 0.15 -2.22 0.00 0.00 0.00 176.54 174.90 3kly h ILE 222 N 0.76 1.16 -0.53 2.60 2.04 -0.89 0.26 117.51 122.91 3kly h ILE 222 Ca 0.18 -0.47 0.06 0.00 1.00 0.00 0.00 64.86 65.63 3kly h ILE 222 Cb 0.24 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 3kly h ILE 222 CO -0.01 0.17 0.36 0.50 0.00 0.00 0.00 178.15 179.16 3kly h LYS 223 N 0.38 0.49 0.15 2.37 3.11 -1.14 0.60 116.57 122.54 3kly h LYS 223 Ca 0.11 -0.03 -0.34 0.00 -2.81 0.00 0.00 60.65 57.58 3kly h LYS 223 Cb 0.13 -0.11 -0.00 0.00 -1.00 0.00 0.00 32.23 31.25 3kly h LYS 223 CO -0.01 0.33 -1.77 -0.92 -2.81 0.00 0.00 179.45 174.27 3kly h TYR 224 N 0.51 0.58 0.00 1.91 3.20 -0.66 -3.37 116.97 119.14 3kly h TYR 224 Ca 0.23 -0.42 0.00 0.00 3.14 0.00 0.00 58.73 61.68 3kly h TYR 224 Cb 0.26 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.50 3kly h TYR 224 CO -0.00 1.61 -0.82 1.19 -1.64 0.00 0.00 178.16 178.50 3kly n PHE 225 N -3.51 0.44 -1.66 -3.82 3.72 0.86 -4.94 117.46 108.55 3kly n PHE 225 Ca -0.24 0.13 -0.46 0.00 -0.05 0.00 0.00 57.45 56.82 3kly n PHE 225 Cb 1.06 -0.57 -0.03 0.00 -0.94 0.00 0.00 39.48 39.00 3kly n PHE 225 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kly n ALA 226 N -1.84 0.84 -1.92 4.37 0.00 0.19 -4.95 120.51 117.20 3kly n ALA 226 Ca 0.02 0.43 -0.28 0.00 0.00 0.00 0.00 53.44 53.62 3kly n ALA 226 Cb 0.44 -2.26 0.07 0.00 0.00 0.00 0.00 19.45 17.71 3kly n ALA 226 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3kly s PRO 227 N 0.02 2.21 0.21 0.00 0.05 -1.26 -4.94 135.00 131.29 3kly s PRO 227 Ca 0.73 0.06 -0.08 0.00 0.05 0.00 0.00 61.00 61.75 3kly s PRO 227 Cb -0.70 -2.04 0.30 0.00 0.05 0.00 0.00 34.50 32.11 3kly s PRO 227 CO 0.46 -1.37 1.75 0.93 0.05 0.00 0.00 177.00 178.83 3kly h GLU 228 N -0.82 0.46 -0.11 4.56 3.07 -2.01 -1.56 114.58 118.16 3kly h GLU 228 Ca -0.45 -0.03 0.03 0.00 -0.50 0.00 0.00 59.36 58.41 3kly h GLU 228 Cb 1.31 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 29.11 3kly h GLU 228 CO 0.64 0.30 0.08 0.66 -1.40 0.00 0.00 179.01 179.29 3kly h SER 229 N 0.47 0.00 -0.07 1.42 4.64 -1.98 -1.60 113.55 116.42 3kly h SER 229 Ca 0.32 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.64 3kly h SER 229 Cb 0.38 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3kly h SER 229 CO -0.30 0.00 0.01 0.15 -0.87 0.00 0.00 176.83 175.83 3kly h PHE 230 N 0.00 0.13 -0.32 4.77 3.04 -1.64 -0.42 116.94 122.49 3kly h PHE 230 Ca 0.05 -0.02 -0.03 0.00 3.98 0.00 0.00 57.97 61.95 3kly h PHE 230 Cb 0.22 -0.04 -0.01 0.00 2.56 0.00 0.00 35.95 38.68 3kly h PHE 230 CO 0.00 0.33 0.07 -1.49 -2.02 0.00 0.00 178.31 175.20 3kly h TRP 231 N -0.11 0.54 -0.05 0.41 4.06 -1.41 -1.59 115.95 117.79 3kly h TRP 231 Ca 0.02 -0.07 -0.02 0.00 2.06 0.00 0.00 58.89 60.89 3kly h TRP 231 Cb 0.27 -0.15 -0.00 0.00 -1.00 0.00 0.00 29.16 28.27 3kly h TRP 231 CO 0.01 0.57 -0.05 0.00 -3.56 0.00 0.00 178.44 175.41 3kly h ALA 232 N 0.91 1.84 0.14 1.49 0.00 -1.29 0.33 119.26 122.68 3kly h ALA 232 Ca 0.10 -0.07 -0.29 0.00 0.00 0.00 0.00 54.91 54.64 3kly h ALA 232 Cb 0.30 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3kly h ALA 232 CO 0.00 0.13 -1.38 1.98 0.00 0.00 0.00 179.25 179.98 3kly h MET 233 N 0.07 0.30 0.00 0.00 -1.53 -0.77 -3.31 114.93 109.68 3kly h MET 233 Ca 0.02 -0.51 -0.02 0.00 -3.44 0.00 0.00 59.70 55.75 3kly h MET 233 Cb 0.13 0.19 -0.00 0.00 -0.55 0.00 0.00 31.60 31.37 3kly h MET 233 CO 0.01 1.21 -1.06 0.25 0.14 0.00 0.00 176.91 177.46 3kly n THR 234 N -3.52 0.69 -1.06 -0.77 -2.24 -0.62 -4.95 114.28 101.81 3kly n THR 234 Ca -0.12 -0.57 -0.02 0.00 -2.27 0.00 0.00 64.05 61.07 3kly n THR 234 Cb 1.04 -0.39 -0.01 0.00 -2.10 0.00 0.00 70.33 68.87 3kly n THR 234 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kly n GLY 235 N 1.21 0.54 3.98 3.38 0.00 0.09 -5.03 105.19 109.37 3kly n GLY 235 Ca -0.01 -0.44 -0.21 0.00 0.00 0.00 0.00 46.02 45.36 3kly n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kly s ALA 236 N -1.98 3.94 0.01 4.61 0.00 -1.11 -5.04 121.76 122.20 3kly s ALA 236 Ca 0.00 -1.49 -0.05 0.00 0.00 0.00 0.00 51.96 50.42 3kly s ALA 236 Cb 0.00 -2.00 -0.01 0.00 0.00 0.00 0.00 23.12 21.12 3kly s ALA 236 CO 0.00 -0.89 0.09 0.54 0.00 0.00 0.00 175.76 175.51 3kly s ASN 237 N -4.51 0.10 0.55 0.00 2.20 -1.26 -4.65 114.94 107.37 3kly s ASN 237 Ca 0.59 -0.32 0.25 0.00 -0.94 0.00 0.00 52.86 52.44 3kly s ASN 237 Cb -0.09 0.18 1.46 0.00 -2.00 0.00 0.00 41.25 40.80 3kly s ASN 237 CO 0.39 -0.37 2.06 -0.29 -2.94 0.00 0.00 177.10 175.96 3kly h ILE 238 N 4.29 0.69 0.00 0.54 2.10 -1.99 -0.72 117.51 122.43 3kly h ILE 238 Ca -0.31 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.62 3kly h ILE 238 Cb 1.20 0.82 -0.00 0.00 -1.09 0.00 0.00 36.82 37.75 3kly h ILE 238 CO 0.42 0.00 -0.05 0.00 -1.08 0.00 0.00 178.15 177.44 3kly h ALA 239 N 1.79 1.10 0.00 0.18 0.00 -2.01 -0.79 119.26 119.54 3kly h ALA 239 Ca 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3kly h ALA 239 Cb 0.63 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3kly h ALA 239 CO -0.00 0.06 0.00 1.04 0.00 0.00 0.00 179.25 180.35 3kly n GLN 240 N -3.30 0.23 -0.64 0.00 6.02 -0.28 -3.59 117.38 115.83 3kly n GLN 240 Ca -0.01 0.12 0.06 0.00 -0.01 0.00 0.00 57.00 57.15 3kly n GLN 240 Cb 0.22 -1.50 0.15 0.00 1.02 0.00 0.00 30.24 30.13 3kly n GLN 240 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3kly n TYR 241 N -1.32 0.00 0.16 1.08 4.02 -0.30 -4.75 117.16 116.06 3kly n TYR 241 Ca 0.08 -1.14 0.11 0.00 -0.01 0.00 0.00 57.90 56.94 3kly n TYR 241 Cb 0.16 -0.20 0.63 0.00 -0.02 0.00 0.00 39.34 39.91 3kly n TYR 241 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3kly h ALA 242 N 0.74 2.09 0.00 -0.72 0.00 -1.66 -0.29 119.26 119.42 3kly h ALA 242 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3kly h ALA 242 Cb 1.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3kly h ALA 242 CO 0.02 -0.13 0.00 -0.40 0.00 0.00 0.00 179.25 178.74 3kly n ASP 243 N -4.50 0.05 -4.44 0.00 5.75 -1.26 -4.44 116.55 107.71 3kly n ASP 243 Ca 0.01 0.51 -0.44 0.00 -0.01 0.00 0.00 54.79 54.86 3kly n ASP 243 Cb 0.22 -0.52 -0.03 0.00 -1.03 0.00 0.00 41.12 39.76 3kly n ASP 243 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3kly s LEU 244 N -3.10 5.11 0.28 -2.12 2.96 -0.12 -4.85 118.68 116.84 3kly s LEU 244 Ca 0.06 -1.98 -0.18 0.00 -0.22 0.00 0.00 54.13 51.81 3kly s LEU 244 Cb 0.08 -2.39 0.02 0.00 0.50 0.00 0.00 46.19 44.40 3kly s LEU 244 CO 0.23 -1.07 0.65 0.54 -1.32 0.00 0.00 176.35 175.39 3kly s ASN 245 N 3.55 -0.16 0.12 3.68 2.20 -1.26 -4.84 114.94 118.24 3kly s ASN 245 Ca 0.30 -0.77 -0.09 0.00 -0.94 0.00 0.00 52.86 51.37 3kly s ASN 245 Cb -0.07 0.70 -0.11 0.00 -2.00 0.00 0.00 41.25 39.78 3kly s ASN 245 CO -0.07 -1.33 1.32 -0.26 -2.94 0.00 0.00 177.10 173.82 3kly h PHE 246 N 2.07 0.86 -0.09 1.54 0.04 -1.98 -2.18 116.94 117.19 3kly h PHE 246 Ca -0.22 -0.41 0.00 0.00 2.80 0.00 0.00 57.97 60.14 3kly h PHE 246 Cb 1.25 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 39.27 3kly h PHE 246 CO 0.54 1.22 0.05 0.28 -0.60 0.00 0.00 178.31 179.81 3kly h VAL 247 N 0.39 1.01 -0.81 -0.55 2.07 -1.98 0.54 116.25 116.92 3kly h VAL 247 Ca -0.07 -0.04 0.05 0.00 0.82 0.00 0.00 66.70 67.47 3kly h VAL 247 Cb 1.47 0.89 -0.06 0.00 -1.52 0.00 0.00 31.29 32.07 3kly h VAL 247 CO 0.16 0.02 0.50 0.78 0.02 0.00 0.00 177.57 179.05 3kly h ASN 248 N 0.11 0.79 0.25 0.57 2.35 -1.88 -0.15 115.58 117.62 3kly h ASN 248 Ca 0.04 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 3kly h ASN 248 Cb -0.00 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.22 3kly h ASN 248 CO -0.02 0.51 -0.12 0.15 -1.65 0.00 0.00 177.43 176.30 3kly h PHE 249 N 0.93 -0.31 -0.04 1.19 3.57 -0.80 0.16 116.94 121.63 3kly h PHE 249 Ca 0.35 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.84 3kly h PHE 249 Cb 0.14 0.10 -0.00 0.00 2.79 0.00 0.00 35.95 38.98 3kly h PHE 249 CO -0.04 -0.12 0.01 0.82 -2.23 0.00 0.00 178.31 176.75 3kly h ILE 250 N -0.45 1.19 -0.06 1.41 2.04 -0.77 0.36 117.51 121.23 3kly h ILE 250 Ca -0.03 -0.57 -0.09 0.00 1.00 0.00 0.00 64.86 65.17 3kly h ILE 250 Cb 0.34 1.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.92 3kly h ILE 250 CO 0.06 0.15 -0.31 0.58 0.00 0.00 0.00 178.15 178.64 3kly h VAL 251 N -0.16 1.44 0.00 1.67 2.07 -1.04 -2.29 116.25 117.94 3kly h VAL 251 Ca 0.01 -1.74 -0.05 0.00 0.82 0.00 0.00 66.70 65.75 3kly h VAL 251 Cb 0.24 2.37 -0.01 0.00 -1.52 0.00 0.00 31.29 32.37 3kly h VAL 251 CO 0.00 0.50 -0.99 0.78 0.02 0.00 0.00 177.57 177.87 3kly h ASN 252 N -0.20 0.00 0.00 0.57 2.35 -0.79 -3.42 115.58 114.09 3kly h ASN 252 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3kly h ASN 252 Cb 0.96 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.33 3kly h ASN 252 CO 0.06 0.17 0.00 -3.20 -1.65 0.00 0.00 177.43 172.81 3kly n ASN 253 N -2.80 0.96 -0.15 5.81 5.15 -0.70 -4.75 115.26 118.79 3kly n ASN 253 Ca -0.02 0.14 -0.05 0.00 -0.60 0.00 0.00 54.58 54.05 3kly n ASN 253 Cb 0.63 -0.28 0.04 0.00 -0.53 0.00 0.00 39.78 39.65 3kly n ASN 253 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 3kly h LEU 254 N 0.00 0.26 0.64 1.20 6.46 -0.89 -0.02 115.31 122.96 3kly h LEU 254 Ca 0.00 0.04 -0.03 0.00 -0.12 0.00 0.00 57.88 57.77 3kly h LEU 254 Cb 0.00 -0.00 0.01 0.00 -0.73 0.00 0.00 40.66 39.93 3kly h LEU 254 CO 0.00 0.19 -0.31 0.40 -0.62 0.00 0.00 178.44 178.10 3kly h ILE 255 N 0.40 0.29 -0.81 4.05 2.04 -1.66 -0.34 117.51 121.49 3kly h ILE 255 Ca 0.21 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.84 3kly h ILE 255 Cb 0.16 0.35 -0.04 0.00 -0.74 0.00 0.00 36.82 36.56 3kly h ILE 255 CO -0.18 0.02 0.38 -0.65 0.00 0.00 0.00 178.15 177.73 3kly h PRO 256 N -1.01 1.16 -0.11 2.37 0.11 -1.79 -1.64 132.00 131.09 3kly h PRO 256 Ca -0.09 -0.17 -0.02 0.00 0.11 0.00 0.00 66.00 65.83 3kly h PRO 256 Cb 0.70 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.60 3kly h PRO 256 CO 0.14 0.90 -0.01 0.28 -0.21 0.00 0.00 178.00 179.10 3kly h VAL 257 N 1.15 1.27 -0.18 3.15 2.07 -1.02 -1.64 116.25 121.04 3kly h VAL 257 Ca 0.28 -0.86 0.03 0.00 0.82 0.00 0.00 66.70 66.96 3kly h VAL 257 Cb 0.12 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 3kly h VAL 257 CO -0.03 0.25 0.02 0.74 0.02 0.00 0.00 177.57 178.56 3kly h THR 258 N -0.10 0.90 -0.63 2.57 2.02 -0.96 0.18 112.91 116.89 3kly h THR 258 Ca 0.03 -0.03 0.12 0.00 0.77 0.00 0.00 66.41 67.30 3kly h THR 258 Cb 0.39 0.81 -0.09 0.00 -1.74 0.00 0.00 68.15 67.51 3kly h THR 258 CO 0.01 0.01 0.13 -0.07 0.37 0.00 0.00 175.52 175.97 3kly h LEU 259 N 0.08 -0.01 -0.19 2.58 3.38 -1.31 -0.20 115.31 119.65 3kly h LEU 259 Ca 0.08 0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 3kly h LEU 259 Cb 0.09 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3kly h LEU 259 CO -0.13 -0.00 0.10 1.23 0.09 0.00 0.00 178.44 179.73 3kly h GLY 260 N 0.26 0.29 0.40 0.83 0.00 -0.28 -1.78 103.07 102.78 3kly h GLY 260 Ca 0.34 -0.13 0.09 0.00 0.00 0.00 0.00 47.33 47.62 3kly h GLY 260 CO -0.43 0.13 0.24 3.43 0.00 0.00 0.00 176.54 179.91 3kly h ASN 261 N 0.19 0.25 -0.09 0.19 2.35 -0.16 -0.86 115.58 117.46 3kly h ASN 261 Ca 0.07 0.08 0.03 0.00 -0.55 0.00 0.00 56.30 55.92 3kly h ASN 261 Cb 0.08 0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.47 3kly h ASN 261 CO -0.01 0.15 -0.10 0.40 -1.65 0.00 0.00 177.43 176.22 3kly h ILE 262 N 0.43 0.72 -0.42 2.81 2.04 -0.76 -1.57 117.51 120.75 3kly h ILE 262 Ca 0.31 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.12 3kly h ILE 262 Cb 0.37 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 3kly h ILE 262 CO -0.30 0.00 0.07 0.58 0.00 0.00 0.00 178.15 178.50 3kly h VAL 263 N -0.13 1.20 -0.48 1.67 2.07 -1.01 0.20 116.25 119.77 3kly h VAL 263 Ca 0.07 -0.76 -0.03 0.00 0.82 0.00 0.00 66.70 66.79 3kly h VAL 263 Cb 0.23 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 3kly h VAL 263 CO -0.17 0.27 0.17 1.23 0.02 0.00 0.00 177.57 179.09 3kly h GLY 264 N 0.87 0.80 1.21 2.17 0.00 -0.79 0.62 103.07 107.94 3kly h GLY 264 Ca 0.14 -0.46 -0.11 0.00 0.00 0.00 0.00 47.33 46.90 3kly h GLY 264 CO 0.00 0.43 -0.12 -1.33 0.00 0.00 0.00 176.54 175.52 3kly h GLY 265 N 0.64 1.00 1.30 4.60 0.00 -0.95 -2.48 103.07 107.18 3kly h GLY 265 Ca 0.16 -0.80 -0.09 0.00 0.00 0.00 0.00 47.33 46.60 3kly h GLY 265 CO -0.01 0.73 -0.05 -1.33 0.00 0.00 0.00 176.54 175.88 3kly h GLY 266 N 0.95 0.90 1.04 4.60 0.00 -0.68 -0.65 103.07 109.23 3kly h GLY 266 Ca 0.13 -0.65 -0.03 0.00 0.00 0.00 0.00 47.33 46.77 3kly h GLY 266 CO 0.05 0.60 0.39 -2.08 0.00 0.00 0.00 176.54 175.49 3kly h VAL 267 N 0.77 1.26 -0.19 4.60 2.07 -0.74 -0.43 116.25 123.59 3kly h VAL 267 Ca 0.14 -0.75 -0.20 0.00 0.82 0.00 0.00 66.70 66.70 3kly h VAL 267 Cb 0.54 0.21 0.01 0.00 -1.52 0.00 0.00 31.29 30.53 3kly h VAL 267 CO 0.03 0.32 -0.68 0.15 0.02 0.00 0.00 177.57 177.41 3kly h PHE 268 N 1.19 1.05 -0.52 1.57 3.04 -1.06 -2.45 116.94 119.76 3kly h PHE 268 Ca 0.28 -0.44 -0.09 0.00 3.98 0.00 0.00 57.97 61.71 3kly h PHE 268 Cb 0.14 -0.17 -0.02 0.00 2.56 0.00 0.00 35.95 38.46 3kly h PHE 268 CO 0.02 1.26 -0.01 0.28 -2.02 0.00 0.00 178.31 177.84 3kly h VAL 269 N 0.54 1.26 -0.66 1.41 2.07 -1.02 -1.88 116.25 117.97 3kly h VAL 269 Ca -0.03 -1.11 0.05 0.00 0.82 0.00 0.00 66.70 66.43 3kly h VAL 269 Cb 1.30 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 31.96 3kly h VAL 269 CO 0.14 0.39 0.38 1.23 0.02 0.00 0.00 177.57 179.74 3kly h GLY 270 N 0.80 0.96 0.86 2.17 0.00 -1.08 -0.99 103.07 105.79 3kly h GLY 270 Ca 0.15 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.20 3kly h GLY 270 CO 0.03 0.20 -0.03 1.98 0.00 0.00 0.00 176.54 178.71 3kly h MET 271 N 0.72 -0.08 -0.45 4.80 -1.53 -1.23 -1.35 114.93 115.82 3kly h MET 271 Ca 0.28 0.01 0.09 0.00 -3.44 0.00 0.00 59.70 56.63 3kly h MET 271 Cb 0.12 0.02 -0.08 0.00 -0.55 0.00 0.00 31.60 31.11 3kly h MET 271 CO -0.15 0.07 -0.03 2.35 0.14 0.00 0.00 176.91 179.29 3kly h TRP 272 N -0.22 -0.08 -0.31 1.39 7.01 -1.16 -1.59 115.95 120.98 3kly h TRP 272 Ca -0.01 0.04 0.03 0.00 2.11 0.00 0.00 58.89 61.06 3kly h TRP 272 Cb 0.19 0.11 -0.03 0.00 -2.10 0.00 0.00 29.16 27.32 3kly h TRP 272 CO -0.03 -0.12 0.11 -0.92 -2.79 0.00 0.00 178.44 174.69 3kly h TYR 273 N 0.08 0.20 -0.81 2.65 3.20 -0.92 -1.62 116.97 119.74 3kly h TYR 273 Ca 0.22 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.09 3kly h TYR 273 Cb 0.33 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.52 3kly h TYR 273 CO -0.32 0.09 0.42 -1.49 -1.64 0.00 0.00 178.16 175.22 3kly h TRP 274 N 0.25 1.14 -0.42 -3.82 4.06 -0.83 -1.36 115.95 114.97 3kly h TRP 274 Ca 0.14 -0.04 -0.00 0.00 2.06 0.00 0.00 58.89 61.05 3kly h TRP 274 Cb 0.11 -0.36 -0.02 0.00 -1.00 0.00 0.00 29.16 27.88 3kly h TRP 274 CO -0.13 0.81 0.26 -0.07 -3.56 0.00 0.00 178.44 175.75 3kly h LEU 275 N 1.14 0.50 -0.64 -4.49 3.38 -0.98 -0.37 115.31 113.86 3kly h LEU 275 Ca 0.28 -0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.33 3kly h LEU 275 Cb 0.07 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 40.61 3kly h LEU 275 CO -0.04 0.40 0.19 0.40 0.09 0.00 0.00 178.44 179.47 3kly h ILE 276 N 0.56 0.67 0.00 1.22 2.04 -0.95 -3.18 117.51 117.88 3kly h ILE 276 Ca 0.15 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.90 3kly h ILE 276 Cb -0.02 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 3kly h ILE 276 CO -0.03 0.06 0.00 0.00 0.00 0.00 0.00 178.15 178.18 3kly n TYR 277 N -5.07 0.00 1.59 1.37 9.36 -0.53 -5.12 117.16 118.76 3kly n TYR 277 Ca 0.10 0.00 0.14 0.00 3.32 0.00 0.00 57.90 61.46 3kly n TYR 277 Cb 0.33 -0.47 0.60 0.00 -0.63 0.00 0.00 39.34 39.17 3kly n TYR 277 CO 0.00 0.00 0.00 1.47 0.22 0.00 0.00 176.86 178.55