#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kly n LYS 25 N 0.00 0.00 0.24 1.61 4.81 -1.26 -4.61 118.16 118.96 3kly n LYS 25 Ca 0.00 0.00 0.17 0.00 -0.87 0.00 0.00 58.31 57.61 3kly n LYS 25 Cb 0.00 -2.06 0.82 0.00 0.02 0.00 0.00 35.03 33.81 3kly n LYS 25 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3kly h ALA 26 N 0.00 1.00 0.00 3.14 0.00 -2.05 -1.13 119.26 120.21 3kly h ALA 26 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 3kly h ALA 26 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3kly h ALA 26 CO 0.00 0.00 -1.46 1.63 0.00 0.00 0.00 179.25 179.42 3kly n LYS 27 N -2.73 0.62 -0.02 0.00 4.01 -1.26 -3.04 118.16 115.75 3kly n LYS 27 Ca -0.01 0.19 -0.09 0.00 -0.51 0.00 0.00 58.31 57.89 3kly n LYS 27 Cb 0.14 -1.79 -0.04 0.00 -0.51 0.00 0.00 35.03 32.84 3kly n LYS 27 CO 0.00 0.00 0.00 0.87 -1.11 0.00 0.00 177.40 177.16 3kly h LYS 28 N 0.00 -0.02 0.00 1.97 1.79 -1.57 0.44 116.57 119.18 3kly h LYS 28 Ca -0.17 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.16 3kly h LYS 28 Cb 1.57 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 32.20 3kly h LYS 28 CO 0.04 -0.01 -0.67 0.00 -1.08 0.00 0.00 179.45 177.72 3kly h ALA 29 N 1.13 0.65 -0.12 3.86 0.00 -1.68 -2.41 119.26 120.68 3kly h ALA 29 Ca 0.08 -0.61 -0.19 0.00 0.00 0.00 0.00 54.91 54.19 3kly h ALA 29 Cb 0.14 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.83 3kly h ALA 29 CO -0.17 0.84 -0.66 0.00 0.00 0.00 0.00 179.25 179.26 3kly h ALA 30 N 1.33 0.24 -0.54 0.00 0.00 -1.42 -1.94 119.26 116.93 3kly h ALA 30 Ca -0.01 -0.56 -0.07 0.00 0.00 0.00 0.00 54.91 54.27 3kly h ALA 30 Cb 1.41 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 3kly h ALA 30 CO 0.09 0.53 0.05 1.88 0.00 0.00 0.00 179.25 181.80 3kly h TYR 31 N 0.32 0.94 -0.34 0.00 0.05 -0.12 -0.56 116.97 117.26 3kly h TYR 31 Ca -0.05 -0.12 -0.09 0.00 0.05 0.00 0.00 58.73 58.52 3kly h TYR 31 Cb 1.30 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 38.77 3kly h TYR 31 CO 0.10 0.82 -0.15 -0.22 -1.05 0.00 0.00 178.16 177.67 3kly h LYS 32 N 0.83 0.69 -0.56 4.88 3.64 -1.44 -1.35 116.57 123.26 3kly h LYS 32 Ca 0.17 -0.30 -0.02 0.00 -1.27 0.00 0.00 60.65 59.23 3kly h LYS 32 Cb 0.42 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.19 3kly h LYS 32 CO 0.01 0.89 0.27 1.03 -2.27 0.00 0.00 179.45 179.38 3kly h SER 33 N 0.47 0.71 -0.31 4.20 0.87 -1.10 -1.69 113.55 116.71 3kly h SER 33 Ca 0.08 -0.07 -0.14 0.00 -1.23 0.00 0.00 61.79 60.43 3kly h SER 33 Cb 0.67 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.45 3kly h SER 33 CO 0.05 0.61 -0.33 0.15 -0.53 0.00 0.00 176.83 176.77 3kly h PHE 34 N 0.79 0.94 -0.46 2.24 3.57 -0.82 -1.88 116.94 121.32 3kly h PHE 34 Ca 0.20 -0.29 -0.11 0.00 3.53 0.00 0.00 57.97 61.30 3kly h PHE 34 Cb 0.09 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 3kly h PHE 34 CO 0.01 1.06 -0.16 -0.07 -2.23 0.00 0.00 178.31 176.92 3kly h LEU 35 N 0.54 0.89 -1.20 0.59 3.38 -0.94 -1.43 115.31 117.14 3kly h LEU 35 Ca 0.05 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 3kly h LEU 35 Cb 0.92 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 3kly h LEU 35 CO 0.08 1.04 -0.15 -0.07 0.09 0.00 0.00 178.44 179.43 3kly h LEU 36 N 0.78 0.00 0.02 1.67 3.38 -1.26 -1.69 115.31 118.20 3kly h LEU 36 Ca 0.12 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.84 3kly h LEU 36 Cb 0.69 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 3kly h LEU 36 CO 0.05 0.15 -1.13 0.00 0.09 0.00 0.00 178.44 177.60 3kly h ALA 37 N 1.85 0.22 -0.03 1.53 0.00 -0.91 -0.81 119.26 121.11 3kly h ALA 37 Ca -0.00 -0.84 -0.00 0.00 0.00 0.00 0.00 54.91 54.06 3kly h ALA 37 Cb 0.68 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 3kly h ALA 37 CO 0.02 0.98 0.01 0.82 0.00 0.00 0.00 179.25 181.07 3kly h ILE 38 N 0.09 1.19 -0.35 0.00 2.04 -0.83 -2.19 117.51 117.46 3kly h ILE 38 Ca -0.10 -0.56 0.04 0.00 1.00 0.00 0.00 64.86 65.24 3kly h ILE 38 Cb 1.84 1.51 -0.04 0.00 -0.74 0.00 0.00 36.82 39.39 3kly h ILE 38 CO 0.18 0.15 0.13 0.77 0.00 0.00 0.00 178.15 179.38 3kly h SER 39 N -0.18 0.14 -0.99 1.72 4.64 -1.40 -2.19 113.55 115.28 3kly h SER 39 Ca 0.01 0.04 0.07 0.00 -0.47 0.00 0.00 61.79 61.44 3kly h SER 39 Cb 0.24 0.02 -0.07 0.00 -0.31 0.00 0.00 62.40 62.28 3kly h SER 39 CO 0.00 0.12 0.64 0.00 -0.87 0.00 0.00 176.83 176.72 3kly h ALA 40 N 1.22 1.43 -0.38 5.18 0.00 -1.43 0.89 119.26 126.17 3kly h ALA 40 Ca 0.16 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 3kly h ALA 40 Cb 0.12 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3kly h ALA 40 CO -0.16 0.41 -0.24 0.78 0.00 0.00 0.00 179.25 180.04 3kly h GLY 41 N 1.14 0.82 0.95 0.00 0.00 -1.05 -0.48 103.07 104.45 3kly h GLY 41 Ca 0.44 -0.71 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 3kly h GLY 41 CO -0.18 0.65 0.18 -2.22 0.00 0.00 0.00 176.54 174.97 3kly h ILE 42 N 0.66 1.18 -0.40 2.60 2.04 -0.75 -1.47 117.51 121.37 3kly h ILE 42 Ca 0.09 -0.52 -0.15 0.00 1.00 0.00 0.00 64.86 65.28 3kly h ILE 42 Cb 0.75 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 3kly h ILE 42 CO 0.06 0.19 -0.33 1.56 0.00 0.00 0.00 178.15 179.63 3kly h GLN 43 N 0.48 0.91 -0.29 2.37 4.20 -0.50 0.21 115.11 122.50 3kly h GLN 43 Ca 0.13 -0.45 -0.11 0.00 0.06 0.00 0.00 58.65 58.28 3kly h GLN 43 Cb 0.14 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 3kly h GLN 43 CO -0.01 1.10 -0.30 0.82 -0.67 0.00 0.00 178.83 179.77 3kly h ILE 44 N 0.76 1.28 -0.78 2.54 1.08 -1.15 -2.64 117.51 118.60 3kly h ILE 44 Ca 0.07 -1.40 -0.03 0.00 -0.39 0.00 0.00 64.86 63.11 3kly h ILE 44 Cb 0.91 1.38 -0.04 0.00 -3.07 0.00 0.00 36.82 36.01 3kly h ILE 44 CO 0.08 0.45 0.35 1.23 -0.69 0.00 0.00 178.15 179.58 3kly h GLY 45 N 1.02 1.22 1.20 5.37 0.00 -0.77 -2.05 103.07 109.06 3kly h GLY 45 Ca 0.06 -0.62 0.03 0.00 0.00 0.00 0.00 47.33 46.81 3kly h GLY 45 CO 0.06 0.59 0.47 -2.22 0.00 0.00 0.00 176.54 175.43 3kly h ILE 46 N 1.12 1.11 -0.95 2.60 2.04 -0.75 -1.39 117.51 121.29 3kly h ILE 46 Ca 0.27 -0.30 0.02 0.00 1.00 0.00 0.00 64.86 65.86 3kly h ILE 46 Cb 0.15 0.17 -0.05 0.00 -0.74 0.00 0.00 36.82 36.35 3kly h ILE 46 CO -0.03 0.16 0.62 0.00 0.00 0.00 0.00 178.15 178.90 3kly h ALA 47 N 1.59 1.36 -0.05 1.87 0.00 -1.02 -1.76 119.26 121.25 3kly h ALA 47 Ca 0.28 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.94 3kly h ALA 47 Cb 0.05 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 3kly h ALA 47 CO -0.08 0.56 -0.79 0.74 0.00 0.00 0.00 179.25 179.69 3kly h PHE 48 N 1.23 0.51 -0.63 0.00 0.04 -1.07 -1.39 116.94 115.62 3kly h PHE 48 Ca 0.36 -0.24 0.03 0.00 2.80 0.00 0.00 57.97 60.92 3kly h PHE 48 Cb -0.06 -0.07 -0.04 0.00 2.20 0.00 0.00 35.95 37.98 3kly h PHE 48 CO -0.00 1.02 0.38 0.28 -0.60 0.00 0.00 178.31 179.39 3kly h VAL 49 N 0.24 1.06 -0.01 -0.55 2.07 -1.13 -0.56 116.25 117.37 3kly h VAL 49 Ca -0.04 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 3kly h VAL 49 Cb 1.38 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 3kly h VAL 49 CO 0.13 0.14 0.00 0.15 0.02 0.00 0.00 177.57 178.01 3kly h PHE 50 N 0.75 0.03 -0.71 1.57 3.57 -1.18 -1.57 116.94 119.40 3kly h PHE 50 Ca 0.26 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.89 3kly h PHE 50 Cb 0.05 -0.01 -0.10 0.00 2.79 0.00 0.00 35.95 38.68 3kly h PHE 50 CO -0.06 0.30 0.23 -0.92 -2.23 0.00 0.00 178.31 175.64 3kly h TYR 51 N -0.26 0.39 -0.35 0.41 5.03 -1.13 -1.69 116.97 119.37 3kly h TYR 51 Ca 0.00 0.04 -0.07 0.00 2.58 0.00 0.00 58.73 61.28 3kly h TYR 51 Cb 0.29 -0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.50 3kly h TYR 51 CO 0.02 0.01 -0.07 1.15 -1.32 0.00 0.00 178.16 177.95 3kly h THR 52 N 0.36 1.28 0.11 1.81 2.02 -0.85 -2.14 112.91 115.50 3kly h THR 52 Ca 0.39 -1.13 0.01 0.00 0.77 0.00 0.00 66.41 66.45 3kly h THR 52 Cb 0.60 1.30 -0.02 0.00 -1.74 0.00 0.00 68.15 68.28 3kly h THR 52 CO -0.42 0.37 -0.19 0.58 0.37 0.00 0.00 175.52 176.23 3kly h VAL 53 N 0.45 0.57 -0.06 3.16 2.07 -0.92 -2.81 116.25 118.70 3kly h VAL 53 Ca 0.09 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.58 3kly h VAL 53 Cb 0.57 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 3kly h VAL 53 CO 0.03 0.00 -0.11 0.58 0.02 0.00 0.00 177.57 178.09 3kly h VAL 54 N -0.37 1.12 -0.25 2.57 2.07 -1.23 -2.16 116.25 118.00 3kly h VAL 54 Ca 0.02 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.01 3kly h VAL 54 Cb 0.39 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 3kly h VAL 54 CO -0.10 0.16 0.00 0.35 0.02 0.00 0.00 177.57 178.00 3kly n THR 55 N -4.36 0.31 -2.39 2.57 -2.24 -0.82 -4.88 114.28 102.47 3kly n THR 55 Ca -0.02 -0.57 -0.41 0.00 -2.27 0.00 0.00 64.05 60.78 3kly n THR 55 Cb 0.21 0.90 -0.03 0.00 -2.10 0.00 0.00 70.33 69.31 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 -1.69 3.67 0.00 4.28 2.01 -0.81 -3.30 115.64 119.80 3kly s THR 56 Ca 0.35 1.36 0.00 0.00 0.31 0.00 0.00 61.69 63.71 3kly s THR 56 Cb 0.21 -3.87 0.00 0.00 0.01 0.00 0.00 72.50 68.85 3kly s THR 56 CO 0.30 0.20 0.00 0.61 -0.69 0.00 0.00 174.62 175.04 3kly n GLY 57 N 2.41 0.50 1.57 4.40 0.00 -1.26 -4.93 105.19 107.88 3kly n GLY 57 Ca 0.05 -0.42 0.06 0.00 0.00 0.00 0.00 46.02 45.71 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 0.72 3.52 -0.34 4.61 0.00 -1.21 -4.58 120.51 123.23 3kly n ALA 58 Ca 0.00 -1.48 0.11 0.00 0.00 0.00 0.00 53.44 52.08 3kly n ALA 58 Cb 0.00 -1.09 0.30 0.00 0.00 0.00 0.00 19.45 18.65 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 3.17 0.98 0.00 0.00 2.07 -1.91 -2.19 115.15 117.27 3kly h HIS 59 Ca 0.00 0.03 0.00 0.00 -2.85 0.00 0.00 60.37 57.55 3kly h HIS 59 Cb 1.61 -0.29 0.00 0.00 2.57 0.00 0.00 27.41 31.30 3kly h HIS 59 CO 0.83 0.21 -0.31 -0.25 -3.07 0.00 0.00 177.93 175.34 3kly n ASP 60 N -4.80 0.39 -4.85 3.10 8.00 -1.26 -4.90 116.55 112.23 3kly n ASP 60 Ca 0.22 0.13 -0.31 0.00 0.71 0.00 0.00 54.79 55.53 3kly n ASP 60 Cb 0.54 -0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 3kly n ASP 60 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3kly s MET 61 N -3.04 3.59 0.36 -1.24 -1.94 -0.82 -5.01 119.30 111.20 3kly s MET 61 Ca 0.11 0.88 -0.28 0.00 -1.71 0.00 0.00 55.69 54.69 3kly s MET 61 Cb 0.17 -2.08 -0.11 0.00 2.01 0.00 0.00 34.83 34.82 3kly s MET 61 CO 0.64 -0.57 1.48 -2.30 -0.01 0.00 0.00 175.02 174.25 3kly n PRO 62 N -2.39 2.61 -0.19 2.03 -0.02 -1.26 -4.89 135.00 130.89 3kly n PRO 62 Ca 0.07 0.92 -0.02 0.00 -2.02 0.00 0.00 63.50 62.45 3kly n PRO 62 Cb 0.54 -2.64 0.05 0.00 -0.02 0.00 0.00 33.50 31.43 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 3.14 -0.40 -0.27 6.00 5.03 -1.94 -2.33 116.97 126.20 3kly h TYR 63 Ca -0.50 0.06 -0.15 0.00 2.58 0.00 0.00 58.73 60.72 3kly h TYR 63 Cb 1.24 0.27 -0.01 0.00 1.55 0.00 0.00 36.73 39.78 3kly h TYR 63 CO 0.53 -0.28 -0.42 0.78 -1.32 0.00 0.00 178.16 177.45 3kly h GLY 64 N -0.03 0.73 0.95 1.82 0.00 -1.99 -2.32 103.07 102.23 3kly h GLY 64 Ca 0.28 -0.76 -0.05 0.00 0.00 0.00 0.00 47.33 46.81 3kly h GLY 64 CO -0.62 0.68 0.08 -2.08 0.00 0.00 0.00 176.54 174.61 3kly h VAL 65 N 0.55 1.24 -0.25 4.60 2.07 -1.90 -0.88 116.25 121.67 3kly h VAL 65 Ca 0.04 -0.85 0.02 0.00 0.82 0.00 0.00 66.70 66.72 3kly h VAL 65 Cb 0.96 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 3kly h VAL 65 CO 0.09 0.30 0.12 0.74 0.02 0.00 0.00 177.57 178.84 3kly h THR 66 N 0.57 0.99 -0.75 2.57 2.02 -1.29 -1.12 112.91 115.90 3kly h THR 66 Ca 0.13 -0.09 -0.03 0.00 0.77 0.00 0.00 66.41 67.19 3kly h THR 66 Cb 0.35 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 3kly h THR 66 CO 0.01 0.05 0.34 0.11 0.37 0.00 0.00 175.52 176.40 3kly h LYS 67 N 0.27 1.09 -0.28 6.66 1.79 -1.28 -1.70 116.57 123.12 3kly h LYS 67 Ca 0.10 -0.17 -0.01 0.00 -2.18 0.00 0.00 60.65 58.39 3kly h LYS 67 Cb 0.03 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 30.47 3kly h LYS 67 CO -0.07 0.86 0.14 1.25 -1.08 0.00 0.00 179.45 180.55 3kly h LEU 68 N 1.06 0.36 -0.48 2.94 5.85 -0.94 0.13 115.31 124.24 3kly h LEU 68 Ca 0.26 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 3kly h LEU 68 Cb 0.14 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 3kly h LEU 68 CO -0.03 0.37 0.18 -0.07 -0.34 0.00 0.00 178.44 178.56 3kly h LEU 69 N 0.32 0.66 -0.65 2.25 3.38 -1.01 -0.31 115.31 119.96 3kly h LEU 69 Ca 0.10 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.91 3kly h LEU 69 Cb 0.10 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 3kly h LEU 69 CO -0.01 0.66 0.42 1.23 0.09 0.00 0.00 178.44 180.82 3kly h GLY 70 N 0.63 0.92 1.01 0.83 0.00 -1.18 -2.41 103.07 102.87 3kly h GLY 70 Ca 0.16 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 3kly h GLY 70 CO -0.01 0.30 0.50 -1.33 0.00 0.00 0.00 176.54 176.00 3kly h GLY 71 N 0.84 1.22 1.05 4.60 0.00 -0.11 -1.48 103.07 109.19 3kly h GLY 71 Ca 0.25 -0.51 -0.09 0.00 0.00 0.00 0.00 47.33 46.98 3kly h GLY 71 CO -0.07 0.50 0.01 1.41 0.00 0.00 0.00 176.54 178.38 3kly h LEU 72 N 1.16 0.96 -0.77 3.11 3.38 -0.88 -2.74 115.31 119.53 3kly h LEU 72 Ca 0.30 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3kly h LEU 72 Cb -0.04 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 3kly h LEU 72 CO -0.06 1.03 0.30 0.00 0.09 0.00 0.00 178.44 179.80 3kly h ALA 73 N 0.97 1.00 0.00 1.53 0.00 -1.15 -2.78 119.26 118.82 3kly h ALA 73 Ca 0.16 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3kly h ALA 73 Cb 0.53 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3kly h ALA 73 CO 0.03 0.63 -0.01 0.35 0.00 0.00 0.00 179.25 180.25 3kly h PHE 74 N 1.11 0.00 0.00 0.00 3.04 -0.97 -2.30 116.94 117.82 3kly h PHE 74 Ca 0.25 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.19 3kly h PHE 74 Cb 0.23 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 38.74 3kly h PHE 74 CO 0.02 0.01 -0.05 0.66 -2.02 0.00 0.00 178.31 176.92 3kly h SER 75 N 0.00 0.00 -1.00 0.41 4.64 -1.40 -1.00 113.55 115.20 3kly h SER 75 Ca -0.00 0.00 0.29 0.00 -0.47 0.00 0.00 61.79 61.61 3kly h SER 75 Cb 0.03 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 61.98 3kly h SER 75 CO 0.00 0.05 0.58 0.25 -0.87 0.00 0.00 176.83 176.84 3kly h LEU 76 N 0.00 0.59 -0.21 5.97 5.85 -1.61 -1.82 115.31 124.09 3kly h LEU 76 Ca -0.00 0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 3kly h LEU 76 Cb 0.16 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 3kly h LEU 76 CO 0.01 -0.02 0.08 1.23 -0.34 0.00 0.00 178.44 179.39 3kly h GLY 77 N 0.44 0.33 2.00 3.75 0.00 -1.39 -1.22 103.07 106.99 3kly h GLY 77 Ca 0.69 -0.18 -0.14 0.00 0.00 0.00 0.00 47.33 47.70 3kly h GLY 77 CO -0.55 0.17 -0.64 -2.00 0.00 0.00 0.00 176.54 173.52 3kly h LEU 78 N 0.18 0.00 -0.36 3.11 5.85 -1.61 -2.10 115.31 120.38 3kly h LEU 78 Ca 0.07 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 3kly h LEU 78 Cb 0.18 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 3kly h LEU 78 CO -0.01 0.64 0.16 0.40 -0.34 0.00 0.00 178.44 179.30 3kly h ILE 79 N 0.00 1.17 -0.34 4.05 2.04 -1.15 -1.51 117.51 121.78 3kly h ILE 79 Ca -0.01 -0.50 -0.00 0.00 1.00 0.00 0.00 64.86 65.35 3kly h ILE 79 Cb 1.18 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 38.08 3kly h ILE 79 CO 0.08 0.18 0.20 -0.07 0.00 0.00 0.00 178.15 178.55 3kly h LEU 80 N 0.44 0.41 -0.11 1.44 3.38 -1.11 -1.25 115.31 118.51 3kly h LEU 80 Ca 0.12 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3kly h LEU 80 Cb 0.14 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3kly h LEU 80 CO -0.01 0.35 0.06 0.58 0.09 0.00 0.00 178.44 179.51 3kly h VAL 81 N 0.44 1.07 -0.24 1.22 2.07 -1.22 -1.72 116.25 117.85 3kly h VAL 81 Ca 0.12 -0.17 -0.07 0.00 0.82 0.00 0.00 66.70 67.40 3kly h VAL 81 Cb 0.02 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 3kly h VAL 81 CO -0.02 0.06 -0.14 0.58 0.02 0.00 0.00 177.57 178.07 3kly h VAL 82 N 0.10 1.31 -0.09 2.57 2.07 -1.25 0.14 116.25 121.11 3kly h VAL 82 Ca 0.04 -1.24 -0.17 0.00 0.82 0.00 0.00 66.70 66.15 3kly h VAL 82 Cb 0.04 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 3kly h VAL 82 CO -0.01 0.38 -0.69 0.40 0.02 0.00 0.00 177.57 177.68 3kly h ILE 83 N 0.24 1.37 -0.00 4.57 2.04 -1.21 -3.11 117.51 121.40 3kly h ILE 83 Ca 0.05 -2.08 0.00 0.00 1.00 0.00 0.00 64.86 63.84 3kly h ILE 83 Cb 0.65 2.05 0.00 0.00 -0.74 0.00 0.00 36.82 38.79 3kly h ILE 83 CO 0.04 0.62 -0.26 0.35 0.00 0.00 0.00 178.15 178.91 3kly n THR 84 N -3.86 0.00 -1.69 -0.27 -2.24 -0.65 -4.95 114.28 100.62 3kly n THR 84 Ca -0.04 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 3kly n THR 84 Cb 0.68 0.20 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 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 1.37 0.48 3.75 3.38 0.00 -0.62 -5.03 105.19 108.52 3kly n GLY 85 Ca 0.11 -0.86 -0.33 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.93 2.19 -0.39 -0.02 0.00 0.41 -4.98 107.32 101.61 3kly s GLY 86 Ca 0.00 0.66 -0.10 0.00 0.00 0.00 0.00 44.72 45.28 3kly s GLY 86 CO 0.00 1.03 0.22 -0.54 0.00 0.00 0.00 173.10 173.82 3kly s GLU 87 N -4.07 2.74 -0.26 2.90 2.02 -0.34 -4.83 118.70 116.86 3kly s GLU 87 Ca 0.69 -1.23 -0.04 0.00 0.02 0.00 0.00 54.97 54.41 3kly s GLU 87 Cb -0.24 -3.75 0.02 0.00 0.10 0.00 0.00 34.13 30.27 3kly s GLU 87 CO 0.44 -0.80 -0.00 -1.17 0.02 0.00 0.00 175.26 173.74 3kly s LEU 88 N 1.50 3.41 -0.48 1.80 2.96 -1.26 -4.00 118.68 122.61 3kly s LEU 88 Ca 0.02 -0.76 -0.12 0.00 -0.22 0.00 0.00 54.13 53.05 3kly s LEU 88 Cb -0.21 -1.76 -0.11 0.00 0.50 0.00 0.00 46.19 44.62 3kly s LEU 88 CO 0.05 -0.14 1.50 0.33 -1.32 0.00 0.00 176.35 176.76 3kly n PHE 89 N 4.76 0.39 -2.70 5.38 7.35 -1.26 -4.31 117.46 127.07 3kly n PHE 89 Ca -0.16 -0.07 -0.06 0.00 -0.76 0.00 0.00 57.45 56.40 3kly n PHE 89 Cb 0.48 -1.43 0.09 0.00 0.35 0.00 0.00 39.48 38.97 3kly n PHE 89 CO 0.00 0.00 0.00 -2.37 -0.76 0.00 0.00 176.76 173.63 3kly n THR 90 N 6.53 0.00 -2.75 -2.13 5.66 -1.26 -4.89 114.28 115.45 3kly n THR 90 Ca 0.18 -1.22 -0.03 0.00 -3.05 0.00 0.00 64.05 59.93 3kly n THR 90 Cb 0.49 1.10 0.02 0.00 -1.55 0.00 0.00 70.33 70.38 3kly n THR 90 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 3kly s SER 91 N -0.89 -0.97 0.00 1.09 0.01 -1.26 -4.81 113.70 106.87 3kly s SER 91 Ca 0.19 -1.11 0.00 0.00 1.31 0.00 0.00 55.95 56.34 3kly s SER 91 Cb 0.29 1.27 0.00 0.00 0.21 0.00 0.00 66.02 67.79 3kly s SER 91 CO -0.08 -0.04 0.00 -0.24 0.41 0.00 0.00 173.24 173.29 3kly n SER 92 N 2.91 0.00 0.00 2.44 2.88 -1.26 -4.78 113.62 115.81 3kly n SER 92 Ca 0.15 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 3kly n SER 92 Cb 0.60 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.06 3kly n SER 92 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 3kly n VAL 93 N 0.00 0.27 -2.09 2.46 3.14 -1.26 -4.48 118.33 116.37 3kly n VAL 93 Ca 0.00 -0.35 -0.02 0.00 -2.96 0.00 0.00 64.34 61.02 3kly n VAL 93 Cb 0.00 1.08 -0.00 0.00 -1.06 0.00 0.00 33.84 33.86 3kly n VAL 93 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 3kly n LEU 94 N -0.13 -1.18 -2.82 6.55 7.94 -1.26 -4.47 117.00 121.62 3kly n LEU 94 Ca 0.00 -0.01 -0.15 0.00 -1.11 0.00 0.00 56.01 54.74 3kly n LEU 94 Cb 0.30 -0.73 0.02 0.00 0.53 0.00 0.00 43.42 43.54 3kly n LEU 94 CO 0.00 -0.01 -0.31 0.00 -1.11 0.00 0.00 177.39 175.95 3kly n ILE 95 N -3.89 -2.30 -0.01 1.96 0.00 -1.26 -2.49 119.36 111.37 3kly n ILE 95 Ca -0.02 0.23 0.00 0.00 0.00 0.00 0.00 62.75 62.96 3kly n ILE 95 Cb 0.52 -2.59 0.00 0.00 0.00 0.00 0.00 39.64 37.57 3kly n ILE 95 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 3kly n LEU 96 N 0.51 0.00 -2.24 9.51 7.94 -1.26 -0.02 117.00 131.44 3kly n LEU 96 Ca -0.03 0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.57 3kly n LEU 96 Cb 0.47 0.00 0.10 0.00 0.53 0.00 0.00 43.42 44.53 3kly n LEU 96 CO 0.22 0.00 1.37 1.33 -1.11 0.00 0.00 177.39 179.20 3kly n VAL 97 N 0.00 3.40 -1.62 1.96 0.24 -1.26 -4.82 118.33 116.23 3kly n VAL 97 Ca 0.00 -2.48 -0.20 0.00 -2.04 0.00 0.00 64.34 59.63 3kly n VAL 97 Cb 0.00 -0.97 -0.08 0.00 -1.47 0.00 0.00 33.84 31.32 3kly n VAL 97 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kly n ALA 98 N -0.86 -0.32 -3.31 2.33 0.00 0.97 -2.25 120.51 117.07 3kly n ALA 98 Ca 0.58 0.31 -0.14 0.00 0.00 0.00 0.00 53.44 54.19 3kly n ALA 98 Cb 0.95 -1.97 0.01 0.00 0.00 0.00 0.00 19.45 18.44 3kly n ALA 98 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kly n LYS 99 N -2.46 -1.65 -1.95 0.00 4.76 -1.24 -1.23 118.16 114.38 3kly n LYS 99 Ca -0.20 1.37 -0.19 0.00 -2.87 0.00 0.00 58.31 56.43 3kly n LYS 99 Cb 0.64 -4.19 -0.04 0.00 -1.84 0.00 0.00 35.03 29.60 3kly n LYS 99 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kly n ALA 100 N -1.57 -0.42 -3.58 7.82 0.00 -1.21 -3.05 120.51 118.50 3kly n ALA 100 Ca -0.09 0.22 -0.26 0.00 0.00 0.00 0.00 53.44 53.32 3kly n ALA 100 Cb 0.58 -1.95 0.05 0.00 0.00 0.00 0.00 19.45 18.12 3kly n ALA 100 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kly n SER 101 N -1.29 -4.94 0.00 0.00 2.88 -0.86 -4.94 113.62 104.47 3kly n SER 101 Ca -0.20 -0.91 0.00 0.00 -1.33 0.00 0.00 58.87 56.43 3kly n SER 101 Cb 0.64 -3.96 0.00 0.00 -0.75 0.00 0.00 64.21 60.14 3kly n SER 101 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3kly n GLY 102 N -1.55 -0.86 4.43 0.46 0.00 -0.37 -5.00 105.19 102.30 3kly n GLY 102 Ca -0.12 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.17 3kly n GLY 102 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3kly n LYS 103 N 0.00 0.00 -3.59 1.61 4.81 -1.26 -4.60 118.16 115.12 3kly n LYS 103 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.34 3kly n LYS 103 Cb 0.00 -1.53 -0.05 0.00 0.02 0.00 0.00 35.03 33.47 3kly n LYS 103 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 3kly s ILE 104 N -0.31 0.00 -0.19 3.15 -1.16 -1.26 -5.14 121.20 116.28 3kly s ILE 104 Ca 0.00 0.00 -0.29 0.00 -0.51 0.00 0.00 60.65 59.85 3kly s ILE 104 Cb 0.00 -1.00 0.13 0.00 0.61 0.00 0.00 42.46 42.20 3kly s ILE 104 CO 0.00 0.00 1.03 -0.55 -2.81 0.00 0.00 174.94 172.61 3kly s SER 105 N -0.83 -0.36 0.00 4.50 0.15 -1.26 -4.97 113.70 110.92 3kly s SER 105 Ca -0.01 0.47 0.00 0.00 0.70 0.00 0.00 55.95 57.12 3kly s SER 105 Cb -0.01 0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.70 3kly s SER 105 CO -0.00 -0.28 0.00 0.79 1.20 0.00 0.00 173.24 174.95 3kly n TRP 106 N 1.05 0.00 -0.35 3.44 7.02 -1.26 -4.19 117.44 123.15 3kly n TRP 106 Ca -0.10 0.00 -0.01 0.00 -1.02 0.00 0.00 57.50 56.37 3kly n TRP 106 Cb 0.57 0.00 0.03 0.00 -2.42 0.00 0.00 31.31 29.50 3kly n TRP 106 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 3kly n LYS 107 N 0.00 -0.22 0.03 -0.99 4.76 -1.26 -0.22 118.16 120.27 3kly n LYS 107 Ca 0.00 1.40 -0.08 0.00 -2.87 0.00 0.00 58.31 56.76 3kly n LYS 107 Cb 0.00 -2.08 -0.13 0.00 -1.84 0.00 0.00 35.03 30.98 3kly n LYS 107 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 3kly h GLU 108 N 0.00 0.02 0.12 1.97 4.22 -1.95 -3.11 114.58 115.85 3kly h GLU 108 Ca 0.31 -0.03 -0.00 0.00 0.08 0.00 0.00 59.36 59.72 3kly h GLU 108 Cb 0.54 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 3kly h GLU 108 CO -0.90 0.84 -0.21 1.25 -2.18 0.00 0.00 179.01 177.80 3kly h LEU 109 N 0.00 -0.61 -0.83 1.64 7.12 -0.87 1.29 115.31 123.06 3kly h LEU 109 Ca -0.12 0.06 0.14 0.00 0.13 0.00 0.00 57.88 58.09 3kly h LEU 109 Cb 1.87 0.22 -0.09 0.00 -0.53 0.00 0.00 40.66 42.12 3kly h LEU 109 CO 0.12 -0.25 0.42 0.58 -0.13 0.00 0.00 178.44 179.18 3kly h VAL 110 N -0.36 0.74 -0.63 1.05 2.07 -1.18 0.23 116.25 118.17 3kly h VAL 110 Ca -0.01 -0.21 0.11 0.00 0.82 0.00 0.00 66.70 67.41 3kly h VAL 110 Cb 0.33 0.07 -0.08 0.00 -1.52 0.00 0.00 31.29 30.09 3kly h VAL 110 CO -0.08 0.11 0.18 -0.09 0.02 0.00 0.00 177.57 177.72 3kly h ARG 111 N 0.61 0.32 -0.16 1.57 9.65 -1.27 0.11 114.38 125.21 3kly h ARG 111 Ca 0.45 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 59.29 3kly h ARG 111 Cb 0.61 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.11 3kly h ARG 111 CO -0.35 0.21 0.03 -0.97 2.80 0.00 0.00 179.97 181.69 3kly h ASN 112 N 0.33 0.25 -0.73 -3.80 -1.24 0.46 -1.92 115.58 108.94 3kly h ASN 112 Ca 0.33 -0.25 0.12 0.00 0.71 0.00 0.00 56.30 57.22 3kly h ASN 112 Cb 0.48 -0.07 -0.09 0.00 0.73 0.00 0.00 38.32 39.38 3kly h ASN 112 CO -0.38 0.44 0.31 -0.50 -1.29 0.00 0.00 177.43 176.00 3kly h TRP 113 N 0.06 0.53 -0.31 0.67 4.06 -0.25 -1.00 115.95 119.71 3kly h TRP 113 Ca 0.05 0.03 -0.02 0.00 2.06 0.00 0.00 58.89 61.02 3kly h TRP 113 Cb 0.29 -0.13 -0.01 0.00 -1.00 0.00 0.00 29.16 28.31 3kly h TRP 113 CO 0.01 0.11 0.14 1.15 -3.56 0.00 0.00 178.44 176.29 3kly h THR 114 N 0.48 1.17 -0.60 1.49 2.02 -0.57 -0.64 112.91 116.26 3kly h THR 114 Ca 0.38 -0.51 0.03 0.00 0.77 0.00 0.00 66.41 67.09 3kly h THR 114 Cb 0.53 0.92 -0.04 0.00 -1.74 0.00 0.00 68.15 67.82 3kly h THR 114 CO -0.36 0.18 0.37 0.58 0.37 0.00 0.00 175.52 176.66 3kly h VAL 115 N 0.37 1.07 -0.10 3.16 2.07 -0.55 -1.45 116.25 120.81 3kly h VAL 115 Ca 0.11 -0.25 -0.06 0.00 0.82 0.00 0.00 66.70 67.32 3kly h VAL 115 Cb 0.15 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.21 3kly h VAL 115 CO -0.01 0.13 -0.16 0.58 0.02 0.00 0.00 177.57 178.14 3kly h VAL 116 N 0.73 1.38 -0.26 2.57 2.07 -1.02 -0.38 116.25 121.33 3kly h VAL 116 Ca 0.24 -1.40 0.04 0.00 0.82 0.00 0.00 66.70 66.41 3kly h VAL 116 Cb 0.02 2.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.81 3kly h VAL 116 CO -0.10 0.40 0.01 0.22 0.02 0.00 0.00 177.57 178.12 3kly h TYR 117 N -0.15 0.00 -0.49 1.57 3.20 -1.00 0.32 116.97 120.42 3kly h TYR 117 Ca 0.01 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.83 3kly h TYR 117 Cb 0.72 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.01 3kly h TYR 117 CO 0.10 -0.03 0.04 0.35 -1.64 0.00 0.00 178.16 176.98 3kly h PHE 118 N 0.09 0.91 -0.48 -3.82 3.57 -1.28 -0.94 116.94 114.99 3kly h PHE 118 Ca 0.13 -0.14 0.07 0.00 3.53 0.00 0.00 57.97 61.55 3kly h PHE 118 Cb 0.16 -0.24 -0.06 0.00 2.79 0.00 0.00 35.95 38.60 3kly h PHE 118 CO -0.20 0.84 0.16 0.78 -2.23 0.00 0.00 178.31 177.66 3kly h GLY 119 N 0.71 0.63 0.91 2.40 0.00 -0.57 -0.07 103.07 107.09 3kly h GLY 119 Ca 0.15 -0.08 0.03 0.00 0.00 0.00 0.00 47.33 47.42 3kly h GLY 119 CO 0.02 -0.00 0.55 3.43 0.00 0.00 0.00 176.54 180.53 3kly h ASN 120 N 0.32 0.92 -0.42 0.19 2.35 0.08 -1.63 115.58 117.38 3kly h ASN 120 Ca 0.23 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.91 3kly h ASN 120 Cb 0.26 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 3kly h ASN 120 CO -0.25 0.64 0.04 0.25 -1.65 0.00 0.00 177.43 176.45 3kly h LEU 121 N 1.08 0.70 -0.29 1.61 5.85 -0.65 -2.05 115.31 121.55 3kly h LEU 121 Ca 0.33 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3kly h LEU 121 Cb -0.03 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 3kly h LEU 121 CO -0.10 0.81 0.18 0.00 -0.34 0.00 0.00 178.44 178.99 3kly h GLY 123 N 0.38 1.33 0.96 0.00 0.00 -1.29 -1.48 103.07 102.98 3kly h GLY 123 Ca 0.11 -0.64 0.01 0.00 0.00 0.00 0.00 47.33 46.80 3kly h GLY 123 CO -0.02 0.61 0.12 1.76 0.00 0.00 0.00 176.54 179.01 3kly h SER 124 N 1.23 0.19 -0.22 0.19 0.02 -1.07 -2.28 113.55 111.63 3kly h SER 124 Ca 0.30 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.15 3kly h SER 124 Cb 0.09 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 3kly h SER 124 CO -0.04 0.14 -0.21 0.40 -1.14 0.00 0.00 176.83 175.98 3kly h ILE 125 N 0.25 1.27 -0.67 3.27 1.08 -1.02 -2.08 117.51 119.61 3kly h ILE 125 Ca 0.08 -1.29 0.03 0.00 -0.39 0.00 0.00 64.86 63.30 3kly h ILE 125 Cb -0.01 1.23 -0.04 0.00 -3.07 0.00 0.00 36.82 34.93 3kly h ILE 125 CO -0.04 0.42 0.41 0.40 -0.69 0.00 0.00 178.15 178.66 3kly h ILE 126 N 0.59 1.07 -0.54 -0.67 2.04 -1.16 -2.40 117.51 116.44 3kly h ILE 126 Ca 0.09 -0.27 -0.07 0.00 1.00 0.00 0.00 64.86 65.60 3kly h ILE 126 Cb 0.69 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 3kly h ILE 126 CO 0.05 0.15 0.04 0.25 0.00 0.00 0.00 178.15 178.64 3kly h LEU 127 N 0.80 0.86 -0.17 1.44 5.85 -0.96 -2.70 115.31 120.43 3kly h LEU 127 Ca 0.27 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.80 3kly h LEU 127 Cb 0.04 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 3kly h LEU 127 CO -0.12 0.89 0.09 0.58 -0.34 0.00 0.00 178.44 179.55 3kly h VAL 128 N 0.84 1.01 -0.66 1.05 2.07 -0.95 0.51 116.25 120.11 3kly h VAL 128 Ca 0.16 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.60 3kly h VAL 128 Cb 0.44 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 3kly h VAL 128 CO 0.02 0.03 0.35 -0.26 0.02 0.00 0.00 177.57 177.73 3kly h PHE 129 N 0.19 0.92 -0.54 1.57 0.04 -1.35 -0.33 116.94 117.43 3kly h PHE 129 Ca 0.07 -0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.75 3kly h PHE 129 Cb 0.00 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 37.84 3kly h PHE 129 CO -0.09 0.67 0.10 0.82 -0.60 0.00 0.00 178.31 179.21 3kly h ILE 130 N 0.91 1.25 -0.41 -0.55 2.04 -1.29 -2.23 117.51 117.23 3kly h ILE 130 Ca 0.23 -0.94 -0.11 0.00 1.00 0.00 0.00 64.86 65.04 3kly h ILE 130 Cb 0.06 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 3kly h ILE 130 CO -0.04 0.34 -0.20 0.24 0.00 0.00 0.00 178.15 178.49 3kly h MET 131 N 0.78 0.81 -0.75 2.37 2.86 -0.58 -1.97 114.93 118.45 3kly h MET 131 Ca 0.17 -0.32 -0.02 0.00 -2.06 0.00 0.00 59.70 57.47 3kly h MET 131 Cb 0.39 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.98 3kly h MET 131 CO 0.01 0.94 0.38 -0.07 1.06 0.00 0.00 176.91 179.23 3kly h LEU 132 N 0.71 0.96 -1.31 1.22 3.38 -0.99 -2.26 115.31 117.00 3kly h LEU 132 Ca 0.10 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 3kly h LEU 132 Cb 0.72 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 3kly h LEU 132 CO 0.06 0.79 -0.24 0.00 0.09 0.00 0.00 178.44 179.14 3kly h ALA 133 N 1.36 1.11 0.00 1.53 0.00 -0.83 -2.17 119.26 120.26 3kly h ALA 133 Ca 0.26 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3kly h ALA 133 Cb 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3kly h ALA 133 CO -0.04 0.30 0.00 1.79 0.00 0.00 0.00 179.25 181.30 3kly h THR 134 N 0.00 0.00 -2.07 0.00 1.35 -0.76 -3.46 112.91 107.97 3kly h THR 134 Ca -0.00 -0.44 -0.35 0.00 -0.55 0.00 0.00 66.41 65.07 3kly h THR 134 Cb 0.66 1.41 -0.09 0.00 -1.73 0.00 0.00 68.15 68.40 3kly h THR 134 CO 0.03 0.00 -0.37 0.54 -0.25 0.00 0.00 175.52 175.47 3kly n ARG 135 N -3.01 -1.60 0.12 4.72 1.74 -0.82 -4.85 116.66 112.98 3kly n ARG 135 Ca 0.00 0.94 0.18 0.00 -0.77 0.00 0.00 57.85 58.20 3kly n ARG 135 Cb 0.28 -5.39 0.76 0.00 -1.02 0.00 0.00 32.46 27.09 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 0.00 0.00 5.56 4.15 -1.84 -1.34 115.11 121.63 3kly h GLN 136 Ca -0.37 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.05 3kly h GLN 136 Cb 1.19 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.88 3kly h GLN 136 CO 0.50 0.00 0.00 0.27 -1.93 0.00 0.00 178.83 177.67 3kly h PHE 137 N 0.00 0.00 0.00 3.99 -5.15 -1.88 0.04 116.94 113.94 3kly h PHE 137 Ca 0.15 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.92 3kly h PHE 137 Cb 0.74 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.91 3kly h PHE 137 CO 0.00 0.00 0.00 -1.33 -2.00 0.00 0.00 178.31 174.98 3kly n MET 138 N -2.86 0.21 -1.68 6.09 2.81 -0.51 -1.47 117.12 119.71 3kly n MET 138 Ca -0.03 0.28 -0.37 0.00 -1.81 0.00 0.00 57.70 55.77 3kly n MET 138 Cb 0.06 -1.80 0.07 0.00 -0.71 0.00 0.00 33.22 30.84 3kly n MET 138 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3kly n GLU 139 N -2.18 1.02 -3.45 0.03 -0.58 0.00 -1.26 120.64 114.22 3kly n GLU 139 Ca 0.04 0.40 -0.19 0.00 -0.42 0.00 0.00 57.16 57.00 3kly n GLU 139 Cb 0.35 -2.46 0.09 0.00 -0.57 0.00 0.00 31.44 28.84 3kly n GLU 139 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 3kly n ASP 140 N -1.78 -3.24 -2.22 1.62 2.03 -1.26 -1.82 116.55 109.88 3kly n ASP 140 Ca 0.15 -0.59 -0.20 0.00 0.52 0.00 0.00 54.79 54.68 3kly n ASP 140 Cb 0.48 -5.02 -0.02 0.00 -0.72 0.00 0.00 41.12 35.84 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 -1.37 -0.19 2.06 0.27 0.00 -1.24 -1.51 105.19 103.22 3kly n GLY 141 Ca -0.20 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.96 1.04 0.22 -0.02 0.00 -0.39 -4.36 105.19 100.73 3kly n GLY 142 Ca -0.24 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.84 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 3.46 0.00 -0.18 1.61 1.08 -0.98 -1.40 115.11 118.70 3kly h GLN 143 Ca 0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 3kly h GLN 143 Cb 0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 3kly h GLN 143 CO 0.00 0.23 0.07 1.25 -0.95 0.00 0.00 178.83 179.43 3kly h LEU 144 N 0.00 0.26 -0.56 1.46 6.46 -1.62 -0.74 115.31 120.57 3kly h LEU 144 Ca -0.00 -0.18 -0.03 0.00 -0.12 0.00 0.00 57.88 57.55 3kly h LEU 144 Cb 0.44 -0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 40.28 3kly h LEU 144 CO 0.03 0.37 0.25 1.23 -0.62 0.00 0.00 178.44 179.70 3kly h GLY 145 N 0.14 0.89 0.58 3.75 0.00 -0.92 -0.74 103.07 106.76 3kly h GLY 145 Ca 0.06 -0.46 0.09 0.00 0.00 0.00 0.00 47.33 47.02 3kly h GLY 145 CO -0.00 0.43 0.52 1.41 0.00 0.00 0.00 176.54 178.90 3kly h LEU 146 N 0.77 0.77 -0.32 3.11 3.38 -1.14 -1.55 115.31 120.33 3kly h LEU 146 Ca 0.19 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.15 3kly h LEU 146 Cb 0.15 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3kly h LEU 146 CO -0.02 0.45 -0.01 -1.13 0.09 0.00 0.00 178.44 177.82 3kly h ASN 147 N 0.89 0.56 -0.85 -0.43 -1.24 -0.56 -1.19 115.58 112.76 3kly h ASN 147 Ca 0.41 -0.32 0.02 0.00 0.71 0.00 0.00 56.30 57.13 3kly h ASN 147 Cb 0.32 -0.15 -0.05 0.00 0.73 0.00 0.00 38.32 39.17 3kly h ASN 147 CO -0.23 0.74 0.55 0.00 -1.29 0.00 0.00 177.43 177.20 3kly h ALA 148 N 0.84 1.10 -0.27 1.57 0.00 -0.87 -1.06 119.26 120.57 3kly h ALA 148 Ca 0.09 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3kly h ALA 148 Cb 0.46 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3kly h ALA 148 CO 0.02 0.42 -0.05 0.52 0.00 0.00 0.00 179.25 180.16 3kly h MET 149 N 1.09 0.51 -0.98 0.00 2.86 -1.12 -2.68 114.93 114.62 3kly h MET 149 Ca 0.33 -0.19 0.01 0.00 -2.06 0.00 0.00 59.70 57.79 3kly h MET 149 Cb -0.04 -0.03 -0.05 0.00 0.06 0.00 0.00 31.60 31.54 3kly h MET 149 CO -0.10 0.71 0.65 0.00 1.06 0.00 0.00 176.91 179.23 3kly h ALA 150 N 0.79 1.31 -0.44 6.32 0.00 -1.03 0.27 119.26 126.47 3kly h ALA 150 Ca 0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3kly h ALA 150 Cb 0.51 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3kly h ALA 150 CO 0.02 0.63 0.23 0.82 0.00 0.00 0.00 179.25 180.96 3kly h ILE 151 N 1.31 1.17 -0.19 0.00 2.04 -1.14 -2.13 117.51 118.57 3kly h ILE 151 Ca 0.36 -0.46 -0.19 0.00 1.00 0.00 0.00 64.86 65.57 3kly h ILE 151 Cb -0.14 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 3kly h ILE 151 CO -0.08 0.18 -0.65 0.28 0.00 0.00 0.00 178.15 177.88 3kly h SER 152 N 0.58 0.80 -0.90 1.72 0.02 -1.11 -3.10 113.55 111.56 3kly h SER 152 Ca 0.15 -0.47 0.06 0.00 -0.84 0.00 0.00 61.79 60.69 3kly h SER 152 Cb 0.08 -0.23 -0.06 0.00 0.14 0.00 0.00 62.40 62.33 3kly h SER 152 CO -0.02 1.24 0.57 1.56 -1.14 0.00 0.00 176.83 179.04 3kly h GLN 153 N 0.51 1.03 0.00 3.45 4.20 -0.86 -0.66 115.11 122.77 3kly h GLN 153 Ca -0.02 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 3kly h GLN 153 Cb 1.24 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 28.79 3kly h GLN 153 CO 0.13 0.68 -0.05 1.25 -0.67 0.00 0.00 178.83 180.17 3kly h HIS 154 N 1.06 0.00 0.00 2.96 2.76 -1.31 -0.87 115.15 119.75 3kly h HIS 154 Ca 0.38 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.55 3kly h HIS 154 Cb 0.13 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.09 3kly h HIS 154 CO -0.02 0.05 0.00 1.63 -1.30 0.00 0.00 177.93 178.29 3kly n LYS 155 N -3.47 0.11 -0.29 5.26 5.02 -0.26 -3.91 118.16 120.62 3kly n LYS 155 Ca -0.02 0.15 0.11 0.00 -2.02 0.00 0.00 58.31 56.53 3kly n LYS 155 Cb 0.17 -1.64 0.26 0.00 -0.02 0.00 0.00 35.03 33.81 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 -1.83 3.64 -0.83 -0.35 4.77 -0.33 -4.42 117.00 117.64 3kly n LEU 156 Ca 0.06 -1.86 0.05 0.00 -0.03 0.00 0.00 56.01 54.23 3kly n LEU 156 Cb 0.33 -0.38 0.13 0.00 -2.33 0.00 0.00 43.42 41.17 3kly n LEU 156 CO 0.25 0.88 0.28 1.41 -1.33 0.00 0.00 177.39 178.88 3kly n HIS 157 N 1.41 0.00 -2.50 -1.77 8.25 -1.25 -4.91 115.22 114.46 3kly n HIS 157 Ca 0.21 -1.05 -0.31 0.00 -0.26 0.00 0.00 57.72 56.31 3kly n HIS 157 Cb 0.58 -0.20 -0.02 0.00 1.12 0.00 0.00 29.99 31.47 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 -1.99 3.50 0.80 4.41 3.76 -1.26 -5.08 115.29 119.43 3kly s HIS 158 Ca 0.34 1.23 -0.12 0.00 -0.15 0.00 0.00 55.06 56.37 3kly s HIS 158 Cb 0.35 -2.61 0.07 0.00 1.11 0.00 0.00 32.58 31.49 3kly s HIS 158 CO -0.09 -0.32 1.10 0.95 -0.85 0.00 0.00 174.74 175.54 3kly s THR 159 N -2.63 2.96 0.10 1.30 -4.23 -1.26 -4.85 115.64 107.02 3kly s THR 159 Ca 0.55 0.31 -0.23 0.00 -1.18 0.00 0.00 61.69 61.14 3kly s THR 159 Cb -0.10 -3.08 -0.13 0.00 1.34 0.00 0.00 72.50 70.53 3kly s THR 159 CO 0.36 -0.41 1.73 0.15 -0.54 0.00 0.00 174.62 175.92 3kly h PHE 160 N -1.10 -0.02 -0.76 3.99 3.04 -1.96 -0.82 116.94 119.32 3kly h PHE 160 Ca -0.47 0.00 0.04 0.00 3.98 0.00 0.00 57.97 61.52 3kly h PHE 160 Cb 1.28 0.01 -0.05 0.00 2.56 0.00 0.00 35.95 39.75 3kly h PHE 160 CO 0.45 -0.01 0.47 1.25 -2.02 0.00 0.00 178.31 178.44 3kly h LEU 161 N 0.00 0.77 -0.20 0.59 5.85 -1.99 -0.10 115.31 120.23 3kly h LEU 161 Ca 0.01 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 3kly h LEU 161 Cb 0.02 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 3kly h LEU 161 CO -0.03 0.52 0.11 -0.61 -0.34 0.00 0.00 178.44 178.09 3kly h GLN 162 N 0.91 0.27 -0.71 1.25 4.15 -1.85 0.47 115.11 119.61 3kly h GLN 162 Ca 0.31 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.65 3kly h GLN 162 Cb 0.05 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.66 3kly h GLN 162 CO -0.13 0.26 0.26 0.00 -1.93 0.00 0.00 178.83 177.30 3kly h ALA 163 N 1.00 0.92 -0.07 3.38 0.00 -0.83 -0.31 119.26 123.35 3kly h ALA 163 Ca 0.07 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.79 3kly h ALA 163 Cb 0.07 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3kly h ALA 163 CO -0.01 0.57 0.01 0.35 0.00 0.00 0.00 179.25 180.16 3kly h PHE 164 N 1.02 0.01 -0.61 0.00 3.04 -0.78 -0.83 116.94 118.80 3kly h PHE 164 Ca 0.23 0.00 -0.05 0.00 3.98 0.00 0.00 57.97 62.13 3kly h PHE 164 Cb 0.24 0.01 -0.03 0.00 2.56 0.00 0.00 35.95 38.73 3kly h PHE 164 CO 0.02 0.00 0.16 0.00 -2.02 0.00 0.00 178.31 176.47 3kly h ALA 165 N 1.06 1.13 -0.63 2.41 0.00 -0.69 0.64 119.26 123.18 3kly h ALA 165 Ca 0.03 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 3kly h ALA 165 Cb 0.03 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3kly h ALA 165 CO -0.05 0.59 0.19 -0.07 0.00 0.00 0.00 179.25 179.91 3kly h LEU 166 N 0.91 0.89 -0.56 0.00 3.38 -0.87 -1.51 115.31 117.56 3kly h LEU 166 Ca 0.20 -0.15 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 3kly h LEU 166 Cb 0.31 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3kly h LEU 166 CO -0.00 0.84 -0.39 1.23 0.09 0.00 0.00 178.44 180.21 3kly h GLY 167 N 1.03 0.80 0.95 0.83 0.00 -0.39 -1.97 103.07 104.31 3kly h GLY 167 Ca 0.21 -0.80 -0.00 0.00 0.00 0.00 0.00 47.33 46.74 3kly h GLY 167 CO -0.01 0.72 0.08 -2.00 0.00 0.00 0.00 176.54 175.33 3kly h LEU 168 N 0.60 0.18 -0.82 3.11 5.85 -0.70 -2.74 115.31 120.79 3kly h LEU 168 Ca 0.05 -0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.62 3kly h LEU 168 Cb 0.93 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 3kly h LEU 168 CO 0.08 0.20 0.03 0.24 -0.34 0.00 0.00 178.44 178.65 3kly h MET 169 N 0.14 0.91 0.22 1.25 2.86 -1.26 -2.52 114.93 116.53 3kly h MET 169 Ca 0.05 -0.25 0.01 0.00 -2.06 0.00 0.00 59.70 57.45 3kly h MET 169 Cb 0.06 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.58 3kly h MET 169 CO -0.01 0.89 -0.37 0.00 1.06 0.00 0.00 176.91 178.48 3kly h ASN 171 N -0.67 0.00 -0.25 0.00 -1.24 -1.44 -0.80 115.58 111.19 3kly h ASN 171 Ca 0.01 0.00 0.02 0.00 0.71 0.00 0.00 56.30 57.03 3kly h ASN 171 Cb 0.65 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.68 3kly h ASN 171 CO -0.16 0.20 0.12 0.40 -1.29 0.00 0.00 177.43 176.70 3kly h ILE 172 N 0.00 0.98 -0.39 2.57 2.04 -1.34 0.34 117.51 121.72 3kly h ILE 172 Ca -0.00 -0.09 -0.10 0.00 1.00 0.00 0.00 64.86 65.67 3kly h ILE 172 Cb 0.60 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 3kly h ILE 172 CO 0.03 0.05 -0.16 -0.07 0.00 0.00 0.00 178.15 177.99 3kly h LEU 173 N 0.25 0.81 -0.37 1.44 -0.00 -1.07 -1.97 115.31 114.40 3kly h LEU 173 Ca 0.10 -0.40 -0.03 0.00 -0.00 0.00 0.00 57.88 57.56 3kly h LEU 173 Cb 0.04 -0.22 -0.02 0.00 -0.00 0.00 0.00 40.66 40.46 3kly h LEU 173 CO -0.08 1.02 0.11 0.58 -0.00 0.00 0.00 178.44 180.08 3kly h VAL 174 N 0.59 1.22 -0.52 1.22 2.07 -1.12 -1.22 116.25 118.48 3kly h VAL 174 Ca 0.09 -0.71 -0.07 0.00 0.82 0.00 0.00 66.70 66.82 3kly h VAL 174 Cb 0.71 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 3kly h VAL 174 CO 0.05 0.25 0.03 0.00 0.02 0.00 0.00 177.57 177.92 3kly h LEU 176 N 0.81 0.50 0.01 0.00 3.38 -1.24 0.11 115.31 118.87 3kly h LEU 176 Ca 0.16 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3kly h LEU 176 Cb 0.44 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3kly h LEU 176 CO 0.02 0.39 -0.00 0.00 0.09 0.00 0.00 178.44 178.94 3kly h ALA 177 N 1.13 -0.01 -0.38 1.53 0.00 -0.78 -1.75 119.26 118.99 3kly h ALA 177 Ca 0.15 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3kly h ALA 177 Cb -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3kly h ALA 177 CO -0.03 -0.47 0.10 0.28 0.00 0.00 0.00 179.25 179.14 3kly h VAL 178 N -0.09 1.22 -0.65 0.00 2.07 -1.17 -2.74 116.25 114.88 3kly h VAL 178 Ca -0.00 -0.74 0.11 0.00 0.82 0.00 0.00 66.70 66.89 3kly h VAL 178 Cb 0.09 0.99 -0.08 0.00 -1.52 0.00 0.00 31.29 30.76 3kly h VAL 178 CO 0.00 0.25 0.23 -0.25 0.02 0.00 0.00 177.57 177.83 3kly h TRP 179 N 0.46 0.40 -0.61 1.57 2.91 -0.66 -1.18 115.95 118.84 3kly h TRP 179 Ca 0.12 0.03 0.08 0.00 1.13 0.00 0.00 58.89 60.25 3kly h TRP 179 Cb 0.28 -0.08 -0.04 0.00 -0.51 0.00 0.00 29.16 28.82 3kly h TRP 179 CO 0.01 0.07 0.40 0.52 -1.03 0.00 0.00 178.44 178.41 3kly h MET 180 N 0.39 0.49 0.00 2.65 2.86 -1.02 -0.69 114.93 119.61 3kly h MET 180 Ca 0.34 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.95 3kly h MET 180 Cb 0.47 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.02 3kly h MET 180 CO -0.35 0.33 0.00 1.79 1.06 0.00 0.00 176.91 179.73 3kly h THR 181 N 0.51 0.00 0.00 2.22 1.35 -1.03 -2.82 112.91 113.13 3kly h THR 181 Ca 0.27 -0.22 -0.01 0.00 -0.55 0.00 0.00 66.41 65.90 3kly h THR 181 Cb 0.40 1.13 -0.00 0.00 -1.73 0.00 0.00 68.15 67.95 3kly h THR 181 CO -0.08 0.00 -0.06 -0.26 -0.25 0.00 0.00 175.52 174.87 3kly h PHE 182 N 0.00 0.00 -0.43 4.73 0.04 -1.13 -2.26 116.94 117.89 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 0.23 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.38 3kly h PHE 182 CO 0.00 0.06 0.00 -1.13 -0.60 0.00 0.00 178.31 176.64 3kly n SER 183 N -3.20 4.76 -4.76 2.17 3.41 -1.06 -5.00 113.62 109.93 3kly n SER 183 Ca -0.00 -2.91 -0.39 0.00 -0.26 0.00 0.00 58.87 55.31 3kly n SER 183 Cb 0.31 -0.60 0.01 0.00 -0.26 0.00 0.00 64.21 63.67 3kly n SER 183 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kly s ALA 184 N -2.68 3.08 -1.31 7.33 0.00 -0.85 -4.94 121.76 122.39 3kly s ALA 184 Ca 0.48 1.25 0.17 0.00 0.00 0.00 0.00 51.96 53.87 3kly s ALA 184 Cb 0.37 -3.51 -0.07 0.00 0.00 0.00 0.00 23.12 19.91 3kly s ALA 184 CO 0.13 -1.02 0.84 0.54 0.00 0.00 0.00 175.76 176.25 3kly n ARG 185 N -0.36 1.55 -3.84 0.00 5.12 -1.26 -5.04 116.66 112.83 3kly n ARG 185 Ca 0.06 -0.55 -0.07 0.00 -1.93 0.00 0.00 57.85 55.36 3kly n ARG 185 Cb 0.44 -1.31 -0.01 0.00 -1.16 0.00 0.00 32.46 30.43 3kly n ARG 185 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3kly s SER 186 N -2.22 -0.17 0.14 0.55 1.04 -1.26 -5.02 113.70 106.76 3kly s SER 186 Ca 0.12 -0.74 -0.17 0.00 0.48 0.00 0.00 55.95 55.63 3kly s SER 186 Cb 0.14 0.73 0.02 0.00 0.10 0.00 0.00 66.02 67.00 3kly s SER 186 CO 0.53 -1.39 1.76 -0.07 0.98 0.00 0.00 173.24 175.05 3kly h LEU 187 N 2.00 0.16 -0.53 2.42 3.38 -2.00 -2.87 115.31 117.87 3kly h LEU 187 Ca -0.23 0.02 0.10 0.00 0.09 0.00 0.00 57.88 57.86 3kly h LEU 187 Cb 1.25 -0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.92 3kly h LEU 187 CO 0.29 0.13 0.09 0.74 0.09 0.00 0.00 178.44 179.78 3kly h THR 188 N 0.27 0.68 -0.63 0.22 2.02 -1.99 -1.63 112.91 111.84 3kly h THR 188 Ca 0.13 -0.08 0.13 0.00 0.77 0.00 0.00 66.41 67.37 3kly h THR 188 Cb 0.08 0.43 -0.10 0.00 -1.74 0.00 0.00 68.15 66.82 3kly h THR 188 CO -0.12 0.04 0.04 0.44 0.37 0.00 0.00 175.52 176.30 3kly h ASP 189 N 0.23 -0.20 -0.36 4.18 5.19 -1.91 0.11 116.42 123.65 3kly h ASP 189 Ca 0.27 0.15 -0.04 0.00 -0.62 0.00 0.00 57.03 56.79 3kly h ASP 189 Cb 0.38 0.25 -0.01 0.00 0.18 0.00 0.00 39.33 40.12 3kly h ASP 189 CO -0.36 -0.09 0.06 0.11 -3.12 0.00 0.00 179.24 175.84 3kly h LYS 190 N 0.16 0.60 -0.25 3.56 1.57 -1.13 -2.23 116.57 118.85 3kly h LYS 190 Ca 0.34 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 3kly h LYS 190 Cb 0.55 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 3kly h LYS 190 CO -0.51 0.66 0.12 0.28 -0.57 0.00 0.00 179.45 179.43 3kly h VAL 191 N 0.44 1.14 -0.80 0.50 2.07 -0.84 -2.97 116.25 115.79 3kly h VAL 191 Ca 0.11 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 3kly h VAL 191 Cb 0.35 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 3kly h VAL 191 CO 0.01 0.14 0.50 0.24 0.02 0.00 0.00 177.57 178.47 3kly h MET 192 N 0.27 1.08 0.00 1.57 2.86 -0.67 -2.71 114.93 117.32 3kly h MET 192 Ca 0.09 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3kly h MET 192 Cb 0.12 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.54 3kly h MET 192 CO -0.01 0.74 -0.27 -0.39 1.06 0.00 0.00 176.91 178.04 3kly h VAL 193 N 1.10 0.00 0.00 -2.22 -1.51 -1.37 -3.31 116.25 108.93 3kly h VAL 193 Ca 0.29 -0.63 -0.22 0.00 -1.23 0.00 0.00 66.70 64.91 3kly h VAL 193 Cb -0.07 1.46 -0.03 0.00 -2.13 0.00 0.00 31.29 30.52 3kly h VAL 193 CO -0.06 0.00 -1.09 -0.07 -1.23 0.00 0.00 177.57 175.12 3kly h LEU 194 N 0.00 0.00 0.33 4.19 3.38 -1.32 -3.41 115.31 118.48 3kly h LEU 194 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3kly h LEU 194 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 3kly h LEU 194 CO 0.00 0.95 -0.16 0.40 0.09 0.00 0.00 178.44 179.73 3kly h ILE 195 N 0.00 0.69 -0.38 1.22 2.04 -1.63 -2.97 117.51 116.48 3kly h ILE 195 Ca -0.06 -0.18 -0.10 0.00 1.00 0.00 0.00 64.86 65.52 3kly h ILE 195 Cb 1.78 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 38.64 3kly h ILE 195 CO 0.11 0.04 -0.16 -0.07 0.00 0.00 0.00 178.15 178.07 3kly h LEU 196 N -0.54 0.80 -1.21 1.44 3.38 -1.80 -1.22 115.31 116.17 3kly h LEU 196 Ca -0.05 -0.39 0.01 0.00 0.09 0.00 0.00 57.88 57.54 3kly h LEU 196 Cb 0.40 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 3kly h LEU 196 CO 0.07 1.02 0.53 -0.65 0.09 0.00 0.00 178.44 179.51 3kly h PRO 197 N 0.59 1.06 -0.17 1.13 0.11 -1.78 0.07 132.00 133.01 3kly h PRO 197 Ca 0.09 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 66.03 3kly h PRO 197 Cb 0.70 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 31.57 3kly h PRO 197 CO 0.05 0.70 -0.29 0.28 -0.21 0.00 0.00 178.00 178.53 3kly h VAL 198 N 1.09 1.35 -0.70 3.15 2.07 -1.42 -2.04 116.25 119.75 3kly h VAL 198 Ca 0.30 -1.53 0.02 0.00 0.82 0.00 0.00 66.70 66.31 3kly h VAL 198 Cb -0.13 1.92 -0.04 0.00 -1.52 0.00 0.00 31.29 31.53 3kly h VAL 198 CO -0.06 0.46 0.46 0.00 0.02 0.00 0.00 177.57 178.45 3kly h ALA 199 N 0.58 1.54 0.64 1.67 0.00 -0.97 -0.65 119.26 122.08 3kly h ALA 199 Ca 0.01 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3kly h ALA 199 Cb 0.88 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.41 3kly h ALA 199 CO 0.07 0.41 -0.31 1.98 0.00 0.00 0.00 179.25 181.40 3kly h MET 200 N 0.91 -0.83 -0.85 0.00 -1.53 -0.94 -0.36 114.93 111.32 3kly h MET 200 Ca 0.27 0.06 -0.01 0.00 -3.44 0.00 0.00 59.70 56.57 3kly h MET 200 Cb -0.05 0.19 -0.04 0.00 -0.55 0.00 0.00 31.60 31.15 3kly h MET 200 CO -0.06 -0.52 0.49 0.27 0.14 0.00 0.00 176.91 177.23 3kly h PHE 201 N -1.01 1.13 -0.14 1.39 -5.15 -1.02 -1.62 116.94 110.52 3kly h PHE 201 Ca -0.09 -0.01 -0.10 0.00 -0.20 0.00 0.00 57.97 57.57 3kly h PHE 201 Cb 0.70 -0.37 0.00 0.00 0.22 0.00 0.00 35.95 36.50 3kly h PHE 201 CO -0.01 0.77 -0.31 0.28 -2.00 0.00 0.00 178.31 177.04 3kly h VAL 202 N 1.18 1.37 0.00 0.88 2.07 -1.14 -1.65 116.25 118.96 3kly h VAL 202 Ca 0.30 -1.58 -0.02 0.00 0.82 0.00 0.00 66.70 66.22 3kly h VAL 202 Cb -0.02 2.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.78 3kly h VAL 202 CO -0.05 0.47 -0.10 0.77 0.02 0.00 0.00 177.57 178.68 3kly h SER 203 N 0.06 0.00 0.55 0.57 4.64 -0.92 -1.85 113.55 116.59 3kly h SER 203 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kly h SER 203 Cb 0.91 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 3kly h SER 203 CO 0.07 0.10 -0.10 -1.20 -0.87 0.00 0.00 176.83 174.83 3kly n SER 204 N -3.91 0.26 -0.14 4.97 7.64 -0.62 -4.88 113.62 116.94 3kly n SER 204 Ca -0.02 -0.23 -0.02 0.00 1.01 0.00 0.00 58.87 59.61 3kly n SER 204 Cb 0.19 -0.17 -0.01 0.00 -1.01 0.00 0.00 64.21 63.21 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 1.35 0.54 3.75 0.23 0.00 -0.70 -5.01 105.19 105.35 3kly n GLY 205 Ca 0.12 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.99 2.39 -0.18 1.61 0.08 -0.64 -4.98 117.98 114.27 3kly s PHE 206 Ca 0.00 1.53 -0.05 0.00 0.12 0.00 0.00 56.93 58.53 3kly s PHE 206 Cb 0.00 -3.44 -0.03 0.00 -0.57 0.00 0.00 43.02 38.98 3kly s PHE 206 CO 0.00 -2.17 -0.01 -1.21 -0.10 0.00 0.00 175.22 171.73 3kly s GLU 207 N -3.44 3.67 -0.22 0.44 0.41 -0.89 -4.75 118.70 113.91 3kly s GLU 207 Ca 0.76 -0.51 -0.05 0.00 -0.41 0.00 0.00 54.97 54.76 3kly s GLU 207 Cb -0.29 -3.02 -0.02 0.00 -1.78 0.00 0.00 34.13 29.03 3kly s GLU 207 CO 0.34 0.13 -0.01 -1.58 -0.49 0.00 0.00 175.26 173.66 3kly s HIS 208 N 0.67 3.00 0.23 1.61 5.65 -1.26 -4.13 115.29 121.05 3kly s HIS 208 Ca -0.01 -0.75 -0.07 0.00 0.25 0.00 0.00 55.06 54.48 3kly s HIS 208 Cb -0.14 -2.14 0.30 0.00 -1.18 0.00 0.00 32.58 29.42 3kly s HIS 208 CO 0.02 -0.46 1.83 0.00 -0.65 0.00 0.00 174.74 175.47 3kly h ILE 210 N 0.81 1.31 -0.92 0.00 1.08 -1.95 -2.04 117.51 115.80 3kly h ILE 210 Ca 0.34 -1.22 0.08 0.00 -0.39 0.00 0.00 64.86 63.67 3kly h ILE 210 Cb 0.20 1.59 -0.06 0.00 -3.07 0.00 0.00 36.82 35.48 3kly h ILE 210 CO -0.19 0.38 0.59 0.00 -0.69 0.00 0.00 178.15 178.25 3kly h ALA 211 N 0.71 1.56 0.00 1.87 0.00 -1.82 -1.91 119.26 119.67 3kly h ALA 211 Ca 0.05 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3kly h ALA 211 Cb 0.64 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3kly h ALA 211 CO 0.04 0.28 -0.30 -0.91 0.00 0.00 0.00 179.25 178.35 3kly h ASN 212 N 0.98 0.00 0.16 0.00 2.35 -0.88 -2.05 115.58 116.14 3kly h ASN 212 Ca 0.41 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.14 3kly h ASN 212 Cb 0.31 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.68 3kly h ASN 212 CO -0.17 0.30 -0.10 0.24 -1.65 0.00 0.00 177.43 176.05 3kly h MET 213 N 0.00 0.00 0.00 0.81 2.86 -0.62 -1.30 114.93 116.68 3kly h MET 213 Ca -0.00 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.51 3kly h MET 213 Cb 0.65 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.29 3kly h MET 213 CO 0.04 0.10 -0.69 0.35 1.06 0.00 0.00 176.91 177.77 3kly h PHE 214 N 0.00 0.00 -0.29 -0.22 3.57 -1.50 -3.39 116.94 115.11 3kly h PHE 214 Ca -0.00 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.42 3kly h PHE 214 Cb 0.21 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 3kly h PHE 214 CO 0.00 1.25 -0.14 0.37 -2.23 0.00 0.00 178.31 177.56 3kly h GLN 215 N -1.00 0.60 -0.01 1.11 5.75 -1.14 -0.12 115.11 120.31 3kly h GLN 215 Ca -0.19 -0.27 -0.00 0.00 -0.15 0.00 0.00 58.65 58.04 3kly h GLN 215 Cb 1.15 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.69 3kly h GLN 215 CO -0.12 0.84 -0.02 0.28 -2.65 0.00 0.00 178.83 177.17 3kly h VAL 216 N 0.35 1.48 -0.35 2.39 2.07 -1.51 -2.61 116.25 118.07 3kly h VAL 216 Ca 0.06 -1.43 0.04 0.00 0.82 0.00 0.00 66.70 66.19 3kly h VAL 216 Cb 0.66 2.44 -0.02 0.00 -1.52 0.00 0.00 31.29 32.85 3kly h VAL 216 CO 0.04 0.37 0.24 -0.65 0.02 0.00 0.00 177.57 177.60 3kly h PRO 217 N -0.58 0.30 -0.49 1.57 0.11 -1.73 -1.48 132.00 129.72 3kly h PRO 217 Ca -0.00 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.10 3kly h PRO 217 Cb 0.62 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.64 3kly h PRO 217 CO 0.00 0.20 0.31 1.98 -0.21 0.00 0.00 178.00 180.28 3kly h MET 218 N 0.31 0.61 -0.53 1.05 1.85 -0.95 -0.22 114.93 117.05 3kly h MET 218 Ca 0.15 -0.04 -0.08 0.00 -0.61 0.00 0.00 59.70 59.12 3kly h MET 218 Cb 0.20 -0.14 -0.02 0.00 0.43 0.00 0.00 31.60 32.08 3kly h MET 218 CO -0.03 0.40 0.02 0.00 -0.40 0.00 0.00 176.91 176.91 3kly h ALA 219 N 1.19 0.71 -0.59 0.39 0.00 -0.99 -0.69 119.26 119.28 3kly h ALA 219 Ca 0.18 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.84 3kly h ALA 219 Cb -0.04 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 3kly h ALA 219 CO -0.06 0.50 0.36 0.82 0.00 0.00 0.00 179.25 180.88 3kly h ILE 220 N 0.79 1.07 -0.58 0.00 2.04 -1.05 -1.70 117.51 118.09 3kly h ILE 220 Ca 0.15 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 3kly h ILE 220 Cb 0.49 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 3kly h ILE 220 CO 0.02 0.13 0.27 1.23 0.00 0.00 0.00 178.15 179.80 3kly h GLY 221 N 0.72 0.90 0.85 5.37 0.00 -0.67 -2.53 103.07 107.71 3kly h GLY 221 Ca 0.24 -0.46 0.03 0.00 0.00 0.00 0.00 47.33 47.14 3kly h GLY 221 CO -0.10 0.44 0.27 -2.22 0.00 0.00 0.00 176.54 174.93 3kly h ILE 222 N 0.79 1.02 -0.54 2.60 2.04 -0.82 0.87 117.51 123.47 3kly h ILE 222 Ca 0.20 -0.19 0.10 0.00 1.00 0.00 0.00 64.86 65.98 3kly h ILE 222 Cb 0.14 0.44 -0.09 0.00 -0.74 0.00 0.00 36.82 36.57 3kly h ILE 222 CO -0.02 0.10 0.04 0.50 0.00 0.00 0.00 178.15 178.77 3kly h LYS 223 N 0.54 0.16 0.09 2.37 3.64 -1.00 -1.30 116.57 121.08 3kly h LYS 223 Ca 0.20 -0.01 -0.26 0.00 -1.27 0.00 0.00 60.65 59.31 3kly h LYS 223 Cb 0.05 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 3kly h LYS 223 CO -0.10 0.11 -1.20 1.88 -2.27 0.00 0.00 179.45 177.86 3kly h TYR 224 N 0.16 0.36 -0.00 1.91 0.05 -1.03 -3.34 116.97 115.08 3kly h TYR 224 Ca 0.28 -0.26 0.00 0.00 0.05 0.00 0.00 58.73 58.79 3kly h TYR 224 Cb 0.42 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.15 3kly h TYR 224 CO -0.29 1.21 -0.66 1.19 -1.05 0.00 0.00 178.16 178.56 3kly n PHE 225 N -3.48 0.00 -1.92 4.88 3.72 0.26 -4.92 117.46 116.00 3kly n PHE 225 Ca -0.07 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.92 3kly n PHE 225 Cb 1.00 -0.16 -0.02 0.00 -0.94 0.00 0.00 39.48 39.36 3kly n PHE 225 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kly s ALA 226 N -2.99 3.65 0.82 4.37 0.00 -0.51 -5.01 121.76 122.10 3kly s ALA 226 Ca 0.10 1.43 -0.12 0.00 0.00 0.00 0.00 51.96 53.37 3kly s ALA 226 Cb 0.17 -3.59 0.10 0.00 0.00 0.00 0.00 23.12 19.80 3kly s ALA 226 CO 0.75 -0.85 1.18 -1.25 0.00 0.00 0.00 175.76 175.60 3kly s PRO 227 N -0.74 1.79 0.36 0.00 0.04 -1.26 -4.95 135.00 130.25 3kly s PRO 227 Ca 0.59 -0.01 0.07 0.00 0.04 0.00 0.00 61.00 61.69 3kly s PRO 227 Cb -0.44 -1.96 0.77 0.00 0.04 0.00 0.00 34.50 32.91 3kly s PRO 227 CO 0.48 -1.68 1.94 1.49 0.04 0.00 0.00 177.00 179.26 3kly h GLU 228 N -1.10 0.71 0.00 4.56 4.57 -2.01 -1.40 114.58 119.92 3kly h GLU 228 Ca -0.46 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 57.65 3kly h GLU 228 Cb 1.31 -0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 29.74 3kly h GLU 228 CO 0.61 0.47 -0.13 0.66 -1.18 0.00 0.00 179.01 179.45 3kly h SER 229 N 0.73 0.00 0.08 1.04 4.64 -1.98 -0.89 113.55 117.17 3kly h SER 229 Ca 0.35 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.66 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 -0.13 0.13 -0.04 0.15 -0.87 0.00 0.00 176.83 176.08 3kly h PHE 230 N 0.00 -0.10 -0.60 4.77 3.57 -1.62 -0.41 116.94 122.55 3kly h PHE 230 Ca -0.00 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 3kly h PHE 230 Cb 0.32 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.07 3kly h PHE 230 CO 0.00 0.13 0.11 -1.49 -2.23 0.00 0.00 178.31 174.83 3kly h TRP 231 N -0.32 1.02 -0.27 0.41 4.06 -1.46 -2.23 115.95 117.16 3kly h TRP 231 Ca -0.01 -0.12 -0.03 0.00 2.06 0.00 0.00 58.89 60.79 3kly h TRP 231 Cb 0.27 -0.29 -0.01 0.00 -1.00 0.00 0.00 29.16 28.14 3kly h TRP 231 CO -0.00 0.86 0.05 0.00 -3.56 0.00 0.00 178.44 175.79 3kly h ALA 232 N 1.19 0.35 0.00 1.49 0.00 -1.11 -0.71 119.26 120.47 3kly h ALA 232 Ca 0.19 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3kly h ALA 232 Cb 0.39 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3kly h ALA 232 CO 0.01 0.02 -0.29 0.00 0.00 0.00 0.00 179.25 178.99 3kly h MET 233 N 0.26 0.00 0.00 0.00 -0.00 -1.03 -3.18 114.93 110.97 3kly h MET 233 Ca 0.08 0.00 -0.10 0.00 -0.00 0.00 0.00 59.70 59.68 3kly h MET 233 Cb 0.31 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.89 3kly h MET 233 CO 0.00 0.29 -0.99 1.79 -0.00 0.00 0.00 176.91 178.00 3kly h THR 234 N 0.00 0.42 0.00 -0.10 1.35 -1.32 -3.48 112.91 109.79 3kly h THR 234 Ca -0.00 -1.73 0.00 0.00 -0.55 0.00 0.00 66.41 64.13 3kly h THR 234 Cb 1.00 1.99 0.00 0.00 -1.73 0.00 0.00 68.15 69.42 3kly h THR 234 CO 0.04 0.24 0.00 0.61 -0.25 0.00 0.00 175.52 176.16 3kly n GLY 235 N 1.28 0.88 3.98 5.82 0.00 -0.28 -5.02 105.19 111.84 3kly n GLY 235 Ca -0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.52 3.60 0.10 4.61 0.00 -1.16 -5.02 121.76 120.36 3kly s ALA 236 Ca 0.00 -1.50 -0.09 0.00 0.00 0.00 0.00 51.96 50.36 3kly s ALA 236 Cb 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 23.12 20.98 3kly s ALA 236 CO 0.00 -1.32 0.21 0.54 0.00 0.00 0.00 175.76 175.19 3kly s ASN 237 N -4.64 0.08 0.55 0.00 2.20 -1.26 -4.63 114.94 107.24 3kly s ASN 237 Ca 0.64 -0.64 0.30 0.00 -0.94 0.00 0.00 52.86 52.22 3kly s ASN 237 Cb -0.07 0.36 1.59 0.00 -2.00 0.00 0.00 41.25 41.12 3kly s ASN 237 CO 0.43 -0.75 2.11 -0.29 -2.94 0.00 0.00 177.10 175.66 3kly h ILE 238 N 2.70 0.43 0.00 0.54 2.10 -1.99 -1.39 117.51 119.89 3kly h ILE 238 Ca -0.34 -0.43 0.00 0.00 1.08 0.00 0.00 64.86 65.17 3kly h ILE 238 Cb 1.21 1.30 0.00 0.00 -1.09 0.00 0.00 36.82 38.24 3kly h ILE 238 CO 0.55 0.08 0.00 0.00 -1.08 0.00 0.00 178.15 177.70 3kly n ALA 239 N -2.23 1.84 1.73 0.18 0.00 -1.26 -1.84 120.51 118.93 3kly n ALA 239 Ca -0.02 -0.06 0.15 0.00 0.00 0.00 0.00 53.44 53.52 3kly n ALA 239 Cb 0.22 -1.31 0.73 0.00 0.00 0.00 0.00 19.45 19.09 3kly n ALA 239 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3kly n GLN 240 N -1.55 1.30 -0.61 0.00 6.02 -0.52 -3.87 117.38 118.14 3kly n GLN 240 Ca 0.04 -0.47 0.06 0.00 -0.01 0.00 0.00 57.00 56.62 3kly n GLN 240 Cb 0.22 -1.49 0.14 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 -0.44 0.00 0.22 1.08 4.01 -0.76 -4.79 117.16 116.48 3kly n TYR 241 Ca 0.21 -1.06 0.09 0.00 -0.16 0.00 0.00 57.90 56.98 3kly n TYR 241 Cb 0.24 -0.19 0.63 0.00 -0.31 0.00 0.00 39.34 39.71 3kly n TYR 241 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kly h ALA 242 N 0.65 2.03 0.00 -0.72 0.00 -1.71 -1.08 119.26 118.43 3kly h ALA 242 Ca -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3kly h ALA 242 Cb 1.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3kly h ALA 242 CO 0.02 -0.05 0.00 0.38 0.00 0.00 0.00 179.25 179.60 3kly h ASP 243 N 0.03 0.00 -1.98 0.00 2.03 -1.92 -3.40 116.42 111.18 3kly h ASP 243 Ca 0.03 0.00 -0.63 0.00 -0.73 0.00 0.00 57.03 55.70 3kly h ASP 243 Cb 0.10 0.00 -0.13 0.00 -0.83 0.00 0.00 39.33 38.46 3kly h ASP 243 CO -0.00 0.00 1.05 -0.22 -1.03 0.00 0.00 179.24 179.04 3kly s LEU 244 N -5.83 4.16 0.34 0.15 2.96 -0.41 -4.79 118.68 115.25 3kly s LEU 244 Ca 0.00 -1.46 -0.11 0.00 -0.22 0.00 0.00 54.13 52.34 3kly s LEU 244 Cb 0.10 -2.48 0.02 0.00 0.50 0.00 0.00 46.19 44.33 3kly s LEU 244 CO 0.48 -1.38 0.63 0.54 -1.32 0.00 0.00 176.35 175.29 3kly s ASN 245 N 4.14 0.26 0.15 3.68 2.20 -1.26 -4.85 114.94 119.26 3kly s ASN 245 Ca 0.36 -1.17 -0.03 0.00 -0.94 0.00 0.00 52.86 51.08 3kly s ASN 245 Cb -0.06 0.73 -0.01 0.00 -2.00 0.00 0.00 41.25 39.92 3kly s ASN 245 CO -0.03 -1.44 1.38 -0.26 -2.94 0.00 0.00 177.10 173.81 3kly h PHE 246 N 2.08 0.61 0.20 1.54 0.04 -1.98 -2.57 116.94 116.85 3kly h PHE 246 Ca -0.28 -0.29 -0.00 0.00 2.80 0.00 0.00 57.97 60.19 3kly h PHE 246 Cb 1.25 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 39.31 3kly h PHE 246 CO 1.15 1.07 -0.14 0.28 -0.60 0.00 0.00 178.31 180.08 3kly h VAL 247 N 0.28 0.70 -0.98 -0.55 2.07 -1.98 -1.60 116.25 114.19 3kly h VAL 247 Ca -0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.47 3kly h VAL 247 Cb 1.41 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 31.84 3kly h VAL 247 CO 0.14 0.00 0.62 0.78 0.02 0.00 0.00 177.57 179.13 3kly h ASN 248 N -0.34 1.15 0.26 0.57 2.35 -1.87 -0.41 115.58 117.29 3kly h ASN 248 Ca -0.02 -0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.68 3kly h ASN 248 Cb 0.29 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 3kly h ASN 248 CO 0.01 0.86 -0.19 0.15 -1.65 0.00 0.00 177.43 176.61 3kly h PHE 249 N 1.34 -0.50 0.02 1.19 3.57 -1.28 0.11 116.94 121.39 3kly h PHE 249 Ca 0.35 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.85 3kly h PHE 249 Cb -0.11 0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.82 3kly h PHE 249 CO 0.00 -0.29 -0.01 0.82 -2.23 0.00 0.00 178.31 176.60 3kly h ILE 250 N -0.45 1.24 -0.07 1.41 2.04 -1.07 0.80 117.51 121.41 3kly h ILE 250 Ca -0.02 -0.83 -0.13 0.00 1.00 0.00 0.00 64.86 64.89 3kly h ILE 250 Cb 0.39 1.80 0.01 0.00 -0.74 0.00 0.00 36.82 38.28 3kly h ILE 250 CO -0.00 0.21 -0.46 0.58 0.00 0.00 0.00 178.15 178.48 3kly h VAL 251 N -0.39 1.40 0.00 1.67 2.07 -1.13 -2.20 116.25 117.67 3kly h VAL 251 Ca -0.00 -1.85 -0.17 0.00 0.82 0.00 0.00 66.70 65.50 3kly h VAL 251 Cb 0.37 2.33 -0.02 0.00 -1.52 0.00 0.00 31.29 32.44 3kly h VAL 251 CO 0.01 0.54 -0.82 0.78 0.02 0.00 0.00 177.57 178.10 3kly h ASN 252 N -0.02 0.00 0.00 0.57 4.21 -0.87 -3.43 115.58 116.03 3kly h ASN 252 Ca -0.04 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.47 3kly h ASN 252 Cb 1.12 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.32 3kly h ASN 252 CO 0.09 0.80 0.00 -3.20 -1.29 0.00 0.00 177.43 173.84 3kly n ASN 253 N -3.30 0.61 -0.06 5.81 5.15 -0.54 -4.68 115.26 118.26 3kly n ASN 253 Ca 0.01 0.24 -0.08 0.00 -0.60 0.00 0.00 54.58 54.14 3kly n ASN 253 Cb 0.86 -0.07 -0.02 0.00 -0.53 0.00 0.00 39.78 40.02 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 0.06 0.75 1.20 6.46 -0.78 0.45 115.31 123.45 3kly h LEU 254 Ca 0.00 0.03 -0.04 0.00 -0.12 0.00 0.00 57.88 57.75 3kly h LEU 254 Cb 0.00 0.03 0.01 0.00 -0.73 0.00 0.00 40.66 39.97 3kly h LEU 254 CO 0.00 0.07 -0.36 0.40 -0.62 0.00 0.00 178.44 177.93 3kly h ILE 255 N 0.17 0.20 -0.38 4.05 2.04 -1.66 -0.95 117.51 120.98 3kly h ILE 255 Ca 0.11 -0.13 -0.07 0.00 1.00 0.00 0.00 64.86 65.77 3kly h ILE 255 Cb 0.09 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.38 3kly h ILE 255 CO -0.13 0.01 -0.05 1.55 0.00 0.00 0.00 178.15 179.53 3kly h PRO 256 N -1.11 0.64 -0.36 2.37 0.13 -1.80 -1.69 132.00 130.17 3kly h PRO 256 Ca -0.10 -0.17 -0.06 0.00 -0.87 0.00 0.00 66.00 64.80 3kly h PRO 256 Cb 0.79 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.83 3kly h PRO 256 CO 0.17 0.69 -0.00 0.28 -0.23 0.00 0.00 178.00 178.91 3kly h VAL 257 N 0.59 1.26 -0.84 1.56 2.07 -0.92 -1.33 116.25 118.65 3kly h VAL 257 Ca 0.11 -0.98 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 3kly h VAL 257 Cb 0.46 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 3kly h VAL 257 CO 0.02 0.33 0.50 0.74 0.02 0.00 0.00 177.57 179.18 3kly h THR 258 N 0.46 1.23 -0.78 2.57 2.02 -1.06 0.20 112.91 117.55 3kly h THR 258 Ca 0.10 -0.52 -0.03 0.00 0.77 0.00 0.00 66.41 66.73 3kly h THR 258 Cb 0.46 0.07 -0.04 0.00 -1.74 0.00 0.00 68.15 66.90 3kly h THR 258 CO 0.02 0.25 0.35 -0.07 0.37 0.00 0.00 175.52 176.44 3kly h LEU 259 N 1.15 1.04 -0.19 2.58 3.38 -1.19 -1.40 115.31 120.68 3kly h LEU 259 Ca 0.30 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 3kly h LEU 259 Cb -0.04 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 3kly h LEU 259 CO -0.06 0.90 0.10 1.23 0.09 0.00 0.00 178.44 180.71 3kly h GLY 260 N 1.11 0.29 0.70 0.83 0.00 -0.86 -1.93 103.07 103.22 3kly h GLY 260 Ca 0.27 -0.13 0.05 0.00 0.00 0.00 0.00 47.33 47.51 3kly h GLY 260 CO -0.03 0.13 0.29 3.43 0.00 0.00 0.00 176.54 180.36 3kly h ASN 261 N 0.21 0.42 -0.14 0.19 2.35 -0.79 -0.01 115.58 117.81 3kly h ASN 261 Ca 0.07 0.03 0.01 0.00 -0.55 0.00 0.00 56.30 55.86 3kly h ASN 261 Cb 0.08 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 3kly h ASN 261 CO -0.01 0.29 0.06 0.40 -1.65 0.00 0.00 177.43 176.52 3kly h ILE 262 N 0.56 0.98 -0.58 2.81 2.04 -1.20 -1.16 117.51 120.97 3kly h ILE 262 Ca 0.25 -0.05 -0.07 0.00 1.00 0.00 0.00 64.86 65.99 3kly h ILE 262 Cb 0.16 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 3kly h ILE 262 CO -0.17 0.03 0.06 0.58 0.00 0.00 0.00 178.15 178.65 3kly h VAL 263 N 0.14 1.25 -0.72 1.67 2.07 -1.04 0.40 116.25 120.02 3kly h VAL 263 Ca 0.06 -1.01 -0.03 0.00 0.82 0.00 0.00 66.70 66.54 3kly h VAL 263 Cb 0.02 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 3kly h VAL 263 CO -0.05 0.37 0.31 1.23 0.02 0.00 0.00 177.57 179.45 3kly h GLY 264 N 1.01 1.12 0.80 2.17 0.00 -0.79 0.05 103.07 107.44 3kly h GLY 264 Ca 0.18 -0.57 -0.06 0.00 0.00 0.00 0.00 47.33 46.87 3kly h GLY 264 CO 0.01 0.54 -0.12 -1.33 0.00 0.00 0.00 176.54 175.65 3kly h GLY 265 N 1.09 0.46 1.01 4.60 0.00 -0.77 -2.63 103.07 106.83 3kly h GLY 265 Ca 0.24 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 3kly h GLY 265 CO -0.03 0.39 0.53 -1.33 0.00 0.00 0.00 176.54 176.10 3kly h GLY 266 N 0.11 1.26 0.95 4.60 0.00 -0.67 -0.49 103.07 108.82 3kly h GLY 266 Ca 0.04 -0.52 0.01 0.00 0.00 0.00 0.00 47.33 46.86 3kly h GLY 266 CO 0.03 0.50 0.21 -2.08 0.00 0.00 0.00 176.54 175.21 3kly h VAL 267 N 1.19 1.06 -0.52 4.60 2.07 -1.01 0.43 116.25 124.06 3kly h VAL 267 Ca 0.31 -0.15 -0.04 0.00 0.82 0.00 0.00 66.70 67.65 3kly h VAL 267 Cb -0.06 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 3kly h VAL 267 CO -0.06 0.08 0.18 0.15 0.02 0.00 0.00 177.57 177.94 3kly h PHE 268 N 0.44 0.78 -0.10 1.57 3.04 -1.05 -1.07 116.94 120.55 3kly h PHE 268 Ca 0.13 -0.05 -0.09 0.00 3.98 0.00 0.00 57.97 61.94 3kly h PHE 268 Cb -0.02 -0.24 0.00 0.00 2.56 0.00 0.00 35.95 38.26 3kly h PHE 268 CO -0.07 0.63 -0.29 0.28 -2.02 0.00 0.00 178.31 176.84 3kly h VAL 269 N 0.76 1.40 -0.47 1.41 2.07 -0.70 -2.59 116.25 118.12 3kly h VAL 269 Ca 0.18 -1.63 0.10 0.00 0.82 0.00 0.00 66.70 66.16 3kly h VAL 269 Cb 0.20 2.19 -0.09 0.00 -1.52 0.00 0.00 31.29 32.07 3kly h VAL 269 CO -0.01 0.48 -0.16 1.23 0.02 0.00 0.00 177.57 179.12 3kly h GLY 270 N -0.08 0.24 0.80 2.17 0.00 0.10 -0.85 103.07 105.45 3kly h GLY 270 Ca -0.01 0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.51 3kly h GLY 270 CO 0.06 -0.20 -0.43 1.98 0.00 0.00 0.00 176.54 177.96 3kly h MET 271 N -0.06 -1.00 -0.83 4.80 -1.53 -1.22 -1.86 114.93 113.24 3kly h MET 271 Ca 0.23 0.07 0.20 0.00 -3.44 0.00 0.00 59.70 56.76 3kly h MET 271 Cb 0.41 0.23 -0.15 0.00 -0.55 0.00 0.00 31.60 31.54 3kly h MET 271 CO -0.52 -0.67 0.02 2.35 0.14 0.00 0.00 176.91 178.24 3kly h TRP 272 N -1.04 -0.03 0.12 1.39 7.01 -1.21 0.87 115.95 123.07 3kly h TRP 272 Ca -0.08 0.06 0.01 0.00 2.11 0.00 0.00 58.89 60.98 3kly h TRP 272 Cb 0.84 0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 28.03 3kly h TRP 272 CO -0.12 -0.28 -0.13 -0.92 -2.79 0.00 0.00 178.44 174.20 3kly h TYR 273 N 0.09 -0.34 -0.87 2.65 3.20 -0.87 0.16 116.97 120.98 3kly h TYR 273 Ca 0.47 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.35 3kly h TYR 273 Cb 0.87 0.13 -0.04 0.00 1.54 0.00 0.00 36.73 39.23 3kly h TYR 273 CO -0.44 -0.20 0.56 -1.49 -1.64 0.00 0.00 178.16 174.95 3kly h TRP 274 N -0.29 1.12 0.28 -3.82 6.55 -0.27 -0.48 115.95 119.04 3kly h TRP 274 Ca 0.01 0.02 -0.01 0.00 0.95 0.00 0.00 58.89 59.85 3kly h TRP 274 Cb 0.28 -0.37 0.00 0.00 -0.86 0.00 0.00 29.16 28.21 3kly h TRP 274 CO -0.13 0.72 -0.13 -0.07 -1.05 0.00 0.00 178.44 177.78 3kly h LEU 275 N 1.19 -0.32 -1.97 -4.49 3.38 -0.59 0.09 115.31 112.60 3kly h LEU 275 Ca 0.32 -0.05 0.13 0.00 0.09 0.00 0.00 57.88 58.37 3kly h LEU 275 Cb -0.10 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3kly h LEU 275 CO -0.07 -0.16 0.46 0.40 0.09 0.00 0.00 178.44 179.17 3kly h ILE 276 N -0.46 0.40 0.00 1.22 5.03 -0.37 -2.21 117.51 121.12 3kly h ILE 276 Ca -0.04 0.00 -0.00 0.00 -0.12 0.00 0.00 64.86 64.70 3kly h ILE 276 Cb 0.35 0.64 0.00 0.00 -3.03 0.00 0.00 36.82 34.78 3kly h ILE 276 CO 0.06 0.00 -0.00 0.22 -0.68 0.00 0.00 178.15 177.75 3kly h TYR 277 N 0.00 -0.00 0.00 1.37 5.03 -0.07 -3.51 116.97 119.80 3kly h TYR 277 Ca 0.21 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.52 3kly h TYR 277 Cb 1.13 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.41 3kly h TYR 277 CO 0.00 0.92 0.00 1.28 -1.32 0.00 0.00 178.16 179.04