#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x91 h GLU 21 N 0.00 0.00 -0.53 1.64 4.81 -2.02 -3.10 114.58 115.38 2x91 h GLU 21 Ca 0.00 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 2x91 h GLU 21 Cb 0.00 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 2x91 h GLU 21 CO 0.00 0.16 0.35 0.93 -0.73 0.00 0.00 179.01 179.72 2x91 h GLU 22 N 0.00 0.62 -0.12 1.92 5.08 -1.99 -1.49 114.58 118.60 2x91 h GLU 22 Ca -0.00 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2x91 h GLU 22 Cb 0.46 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2x91 h GLU 22 CO 0.02 0.41 0.07 0.82 -1.00 0.00 0.00 179.01 179.32 2x91 h ILE 23 N 0.64 1.08 -0.77 3.13 2.04 -1.98 0.70 117.51 122.35 2x91 h ILE 23 Ca 0.21 -0.23 -0.03 0.00 1.00 0.00 0.00 64.86 65.81 2x91 h ILE 23 Cb 0.06 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 2x91 h ILE 23 CO -0.05 0.08 0.35 -0.61 0.00 0.00 0.00 178.15 177.91 2x91 h GLN 24 N 0.10 1.12 -0.67 2.37 4.15 -1.65 -2.86 115.11 117.67 2x91 h GLN 24 Ca 0.04 -0.18 -0.06 0.00 0.77 0.00 0.00 58.65 59.23 2x91 h GLN 24 Cb 0.06 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 27.53 2x91 h GLN 24 CO -0.01 0.88 0.19 0.00 -1.93 0.00 0.00 178.83 177.96 2x91 h ALA 25 N 1.18 0.88 -0.63 3.38 0.00 -1.02 -1.02 119.26 122.03 2x91 h ALA 25 Ca 0.26 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.98 2x91 h ALA 25 Cb 0.15 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 2x91 h ALA 25 CO -0.03 0.57 0.37 -0.22 0.00 0.00 0.00 179.25 179.94 2x91 h LYS 26 N 0.98 0.69 -0.29 0.00 3.64 -0.73 -0.52 116.57 120.34 2x91 h LYS 26 Ca 0.21 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.42 2x91 h LYS 26 Cb 0.33 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 2x91 h LYS 26 CO -0.00 0.46 -0.35 0.93 -2.27 0.00 0.00 179.45 178.21 2x91 h GLU 27 N 0.71 0.65 -0.38 1.90 5.08 -1.31 -2.17 114.58 119.05 2x91 h GLU 27 Ca 0.26 -0.31 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2x91 h GLU 27 Cb 0.09 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 2x91 h GLU 27 CO -0.13 0.90 0.22 -0.92 -1.00 0.00 0.00 179.01 178.08 2x91 h TYR 28 N 0.54 0.51 -0.30 4.33 3.20 -0.69 -2.72 116.97 121.84 2x91 h TYR 28 Ca 0.06 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.87 2x91 h TYR 28 Cb 0.85 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.95 2x91 h TYR 28 CO 0.04 0.38 -0.03 -0.07 -1.64 0.00 0.00 178.16 176.84 2x91 h LEU 29 N 0.49 0.54 -0.43 2.82 3.38 -1.02 -0.64 115.31 120.45 2x91 h LEU 29 Ca 0.14 -0.33 0.07 0.00 0.09 0.00 0.00 57.88 57.85 2x91 h LEU 29 Cb 0.03 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.57 2x91 h LEU 29 CO -0.02 0.74 0.04 -0.08 0.09 0.00 0.00 178.44 179.21 2x91 h GLU 30 N 0.33 0.15 -0.37 1.13 4.81 -1.38 0.20 114.58 119.46 2x91 h GLU 30 Ca 0.08 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.21 2x91 h GLU 30 Cb 0.48 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 2x91 h GLU 30 CO 0.02 0.10 -0.14 -0.97 -0.73 0.00 0.00 179.01 177.29 2x91 h ASN 31 N 0.16 0.76 -0.49 1.04 -1.24 -1.43 -3.11 115.58 111.27 2x91 h ASN 31 Ca 0.21 -0.39 -0.10 0.00 0.71 0.00 0.00 56.30 56.74 2x91 h ASN 31 Cb 0.29 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 39.11 2x91 h ASN 31 CO -0.32 0.98 -0.07 0.25 -1.29 0.00 0.00 177.43 176.98 2x91 h LEU 32 N 0.54 0.91 -0.71 0.34 5.85 -0.54 -2.12 115.31 119.59 2x91 h LEU 32 Ca 0.09 -0.34 0.06 0.00 0.84 0.00 0.00 57.88 58.52 2x91 h LEU 32 Cb 0.67 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.40 2x91 h LEU 32 CO 0.05 1.04 0.41 0.78 -0.34 0.00 0.00 178.44 180.37 2x91 h ASN 33 N 0.77 0.61 -0.21 1.25 2.35 -0.68 0.42 115.58 120.10 2x91 h ASN 33 Ca 0.13 0.03 -0.12 0.00 -0.55 0.00 0.00 56.30 55.79 2x91 h ASN 33 Cb 0.62 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.88 2x91 h ASN 33 CO 0.04 0.39 -0.28 0.11 -1.65 0.00 0.00 177.43 176.04 2x91 h LYS 34 N 0.74 0.69 -0.68 0.81 1.57 -1.45 -1.75 116.57 116.51 2x91 h LYS 34 Ca 0.31 -0.30 -0.08 0.00 -1.87 0.00 0.00 60.65 58.72 2x91 h LYS 34 Cb 0.18 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 2x91 h LYS 34 CO -0.18 0.89 0.12 1.49 -0.57 0.00 0.00 179.45 181.21 2x91 h GLU 35 N 0.60 1.12 -0.59 3.15 4.81 -0.95 -2.56 114.58 120.16 2x91 h GLU 35 Ca 0.07 -0.30 -0.10 0.00 -0.13 0.00 0.00 59.36 58.91 2x91 h GLU 35 Cb 0.78 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.00 2x91 h GLU 35 CO 0.06 1.02 -0.01 -0.07 -0.73 0.00 0.00 179.01 179.28 2x91 h LEU 36 N 1.05 1.02 -0.38 1.64 3.38 -0.67 -1.33 115.31 120.02 2x91 h LEU 36 Ca 0.21 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.90 2x91 h LEU 36 Cb 0.43 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2x91 h LEU 36 CO 0.01 1.08 0.23 0.00 0.09 0.00 0.00 178.44 179.85 2x91 h ALA 37 N 1.02 0.47 -0.47 1.53 0.00 -1.27 0.09 119.26 120.63 2x91 h ALA 37 Ca 0.17 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 2x91 h ALA 37 Cb 0.57 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2x91 h ALA 37 CO 0.03 -0.10 0.10 -0.22 0.00 0.00 0.00 179.25 179.07 2x91 h LYS 38 N 0.47 0.77 -0.17 0.00 1.63 -1.28 0.81 116.57 118.81 2x91 h LYS 38 Ca 0.14 -0.19 -0.12 0.00 -0.85 0.00 0.00 60.65 59.64 2x91 h LYS 38 Cb -0.02 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.50 2x91 h LYS 38 CO -0.05 0.76 -0.40 0.00 -3.45 0.00 0.00 179.45 176.31 2x91 h ARG 39 N 0.65 0.38 -0.01 1.90 3.08 -1.15 -3.05 114.38 116.17 2x91 h ARG 39 Ca 0.15 -0.18 -0.17 0.00 0.07 0.00 0.00 59.98 59.84 2x91 h ARG 39 Cb 0.35 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 2x91 h ARG 39 CO 0.00 0.72 -0.78 1.15 -1.07 0.00 0.00 179.97 180.00 2x91 h THR 40 N 0.31 1.50 -0.56 2.04 2.02 -0.68 -2.92 112.91 114.62 2x91 h THR 40 Ca 0.03 -2.50 0.09 0.00 0.77 0.00 0.00 66.41 64.80 2x91 h THR 40 Cb 0.84 2.36 -0.07 0.00 -1.74 0.00 0.00 68.15 69.54 2x91 h THR 40 CO 0.07 0.72 0.15 -1.13 0.37 0.00 0.00 175.52 175.70 2x91 h ASN 41 N 0.07 0.07 -0.47 4.18 -0.73 -0.74 0.11 115.58 118.06 2x91 h ASN 41 Ca -0.02 0.09 -0.03 0.00 1.87 0.00 0.00 56.30 58.21 2x91 h ASN 41 Cb 1.36 0.11 -0.02 0.00 0.27 0.00 0.00 38.32 40.04 2x91 h ASN 41 CO 0.11 0.06 0.17 0.58 -0.37 0.00 0.00 177.43 177.98 2x91 h VAL 42 N 0.29 1.22 -0.34 2.57 2.07 -1.46 -0.81 116.25 119.79 2x91 h VAL 42 Ca 0.28 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 2x91 h VAL 42 Cb 0.38 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 2x91 h VAL 42 CO -0.34 0.25 0.17 -0.08 0.02 0.00 0.00 177.57 177.59 2x91 h GLU 43 N 0.62 0.49 -0.70 1.57 4.81 -1.29 -2.44 114.58 117.63 2x91 h GLU 43 Ca 0.15 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 2x91 h GLU 43 Cb 0.23 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 2x91 h GLU 43 CO -0.01 0.44 0.30 1.15 -0.73 0.00 0.00 179.01 180.16 2x91 h THR 44 N 0.42 1.24 -0.72 0.32 2.02 -0.61 -0.45 112.91 115.13 2x91 h THR 44 Ca 0.12 -0.74 0.01 0.00 0.77 0.00 0.00 66.41 66.56 2x91 h THR 44 Cb 0.11 0.42 -0.04 0.00 -1.74 0.00 0.00 68.15 66.90 2x91 h THR 44 CO -0.02 0.30 0.47 -0.33 0.37 0.00 0.00 175.52 176.32 2x91 h GLU 45 N 1.00 0.94 -0.64 6.66 4.39 -1.07 0.16 114.58 126.01 2x91 h GLU 45 Ca 0.24 -0.06 -0.07 0.00 0.34 0.00 0.00 59.36 59.81 2x91 h GLU 45 Cb 0.19 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.60 2x91 h GLU 45 CO -0.02 0.62 0.14 0.00 -1.16 0.00 0.00 179.01 178.59 2x91 h ALA 46 N 1.27 0.85 -0.24 3.43 0.00 -1.04 -1.03 119.26 122.50 2x91 h ALA 46 Ca 0.27 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 2x91 h ALA 46 Cb -0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 2x91 h ALA 46 CO -0.06 0.58 -0.36 0.00 0.00 0.00 0.00 179.25 179.41 2x91 h ALA 47 N 1.05 0.94 -0.25 0.00 0.00 -0.73 -2.25 119.26 118.01 2x91 h ALA 47 Ca 0.20 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 2x91 h ALA 47 Cb 0.38 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2x91 h ALA 47 CO 0.00 0.62 0.07 2.35 0.00 0.00 0.00 179.25 182.29 2x91 h TRP 48 N 0.44 0.41 -0.93 0.00 2.91 -0.56 -1.89 115.95 116.34 2x91 h TRP 48 Ca 0.05 -0.05 0.02 0.00 1.13 0.00 0.00 58.89 60.04 2x91 h TRP 48 Cb 0.83 -0.12 -0.05 0.00 -0.51 0.00 0.00 29.16 29.31 2x91 h TRP 48 CO 0.03 0.47 0.62 0.00 -1.03 0.00 0.00 178.44 178.53 2x91 h ALA 49 N 0.89 1.35 -0.13 2.65 0.00 -1.03 -0.60 119.26 122.39 2x91 h ALA 49 Ca 0.08 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 2x91 h ALA 49 Cb 0.26 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2x91 h ALA 49 CO -0.00 0.59 -0.28 -0.92 0.00 0.00 0.00 179.25 178.64 2x91 h TYR 50 N 1.24 0.54 -0.07 0.00 3.20 -1.37 -2.54 116.97 117.96 2x91 h TYR 50 Ca 0.35 -0.20 -0.05 0.00 3.14 0.00 0.00 58.73 61.96 2x91 h TYR 50 Cb -0.11 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.05 2x91 h TYR 50 CO -0.00 0.90 -0.21 0.78 -1.64 0.00 0.00 178.16 178.00 2x91 h GLY 51 N 0.02 0.12 1.74 1.82 0.00 -1.12 -2.21 103.07 103.45 2x91 h GLY 51 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.25 2x91 h GLY 51 CO 0.06 0.07 -0.18 1.44 0.00 0.00 0.00 176.54 177.94 2x91 n SER 52 N -4.24 0.60 -2.79 0.19 7.64 -0.25 -1.15 113.62 113.62 2x91 n SER 52 Ca -0.02 0.40 -0.03 0.00 1.01 0.00 0.00 58.87 60.23 2x91 n SER 52 Cb 0.30 -0.44 0.02 0.00 -1.01 0.00 0.00 64.21 63.07 2x91 n SER 52 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2x91 s ASN 53 N -4.02 -0.97 -0.40 6.43 2.47 -0.87 -4.76 114.94 112.82 2x91 s ASN 53 Ca 0.10 -1.01 -0.29 0.00 0.42 0.00 0.00 52.86 52.09 2x91 s ASN 53 Cb 0.14 1.26 0.01 0.00 -1.45 0.00 0.00 41.25 41.21 2x91 s ASN 53 CO 0.62 -0.05 1.45 -0.63 -3.72 0.00 0.00 177.10 174.77 2x91 s ILE 54 N 1.12 3.86 0.07 -5.21 1.01 0.45 -4.40 121.20 118.10 2x91 s ILE 54 Ca 0.25 0.88 -0.01 0.00 0.00 0.00 0.00 60.65 61.77 2x91 s ILE 54 Cb 0.04 -4.14 -0.04 0.00 0.01 0.00 0.00 42.46 38.33 2x91 s ILE 54 CO -0.08 -0.71 -0.01 0.42 0.00 0.00 0.00 174.94 174.56 2x91 s THR 55 N 5.56 0.20 0.33 2.92 -4.23 -1.26 -4.57 115.64 114.60 2x91 s THR 55 Ca 0.63 -1.84 0.02 0.00 -1.18 0.00 0.00 61.69 59.32 2x91 s THR 55 Cb -0.15 -1.65 0.27 0.00 1.34 0.00 0.00 72.50 72.31 2x91 s THR 55 CO 0.33 -0.87 1.98 0.44 -0.54 0.00 0.00 174.62 175.96 2x91 h ASP 56 N 3.08 0.79 -0.21 3.99 5.19 -1.99 -1.36 116.42 125.90 2x91 h ASP 56 Ca -0.34 -0.01 -0.14 0.00 -0.62 0.00 0.00 57.03 55.92 2x91 h ASP 56 Cb 1.15 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 40.48 2x91 h ASP 56 CO 0.64 0.55 -0.41 -0.08 -3.12 0.00 0.00 179.24 176.83 2x91 h GLU 57 N 0.92 0.65 -0.26 3.56 4.81 -1.97 -2.24 114.58 120.05 2x91 h GLU 57 Ca 0.28 -0.42 -0.10 0.00 -0.13 0.00 0.00 59.36 59.00 2x91 h GLU 57 Cb 0.00 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 2x91 h GLU 57 CO -0.08 1.03 -0.25 -0.91 -0.73 0.00 0.00 179.01 178.08 2x91 h ASN 58 N 0.35 0.51 0.12 1.04 2.35 -1.85 -1.82 115.58 116.27 2x91 h ASN 58 Ca 0.01 -0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.58 2x91 h ASN 58 Cb 1.01 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.24 2x91 h ASN 58 CO 0.09 0.75 -0.06 -0.08 -1.65 0.00 0.00 177.43 176.48 2x91 h GLU 59 N 0.45 -0.15 -0.65 0.81 4.81 -1.22 -0.10 114.58 118.52 2x91 h GLU 59 Ca 0.07 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.39 2x91 h GLU 59 Cb 0.67 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 30.02 2x91 h GLU 59 CO 0.05 -0.10 0.31 -0.22 -0.73 0.00 0.00 179.01 178.31 2x91 h LYS 60 N -0.16 0.53 -0.27 1.92 3.64 -1.28 -1.60 116.57 119.34 2x91 h LYS 60 Ca -0.02 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.28 2x91 h LYS 60 Cb 0.12 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 2x91 h LYS 60 CO 0.03 0.35 -0.04 0.87 -2.27 0.00 0.00 179.45 178.39 2x91 h LYS 61 N 0.54 0.51 -0.21 1.90 1.57 -1.14 -1.62 116.57 118.13 2x91 h LYS 61 Ca 0.31 -0.18 0.03 0.00 -1.87 0.00 0.00 60.65 58.94 2x91 h LYS 61 Cb 0.32 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 2x91 h LYS 61 CO -0.25 0.70 0.01 -0.22 -0.57 0.00 0.00 179.45 179.12 2x91 h LYS 62 N 0.28 0.08 0.00 3.15 3.64 -0.75 -2.45 116.57 120.51 2x91 h LYS 62 Ca 0.07 -0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.31 2x91 h LYS 62 Cb 0.49 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 2x91 h LYS 62 CO 0.02 0.05 -0.66 -0.91 -2.27 0.00 0.00 179.45 175.69 2x91 h ASN 63 N 0.08 0.00 0.03 4.20 2.35 -1.27 -2.27 115.58 118.70 2x91 h ASN 63 Ca 0.10 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.62 2x91 h ASN 63 Cb 0.11 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.49 2x91 h ASN 63 CO -0.15 0.66 -0.84 -0.33 -1.65 0.00 0.00 177.43 175.11 2x91 h GLU 64 N 0.00 0.65 -0.53 0.81 5.08 -1.22 -1.93 114.58 117.44 2x91 h GLU 64 Ca -0.01 -0.58 -0.09 0.00 -1.00 0.00 0.00 59.36 57.68 2x91 h GLU 64 Cb 1.19 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.56 2x91 h GLU 64 CO 0.09 1.19 -0.02 0.82 -1.00 0.00 0.00 179.01 180.08 2x91 h ILE 65 N 0.42 1.27 -0.59 3.13 1.08 -1.42 -2.28 117.51 119.12 2x91 h ILE 65 Ca -0.07 -1.14 0.01 0.00 -0.39 0.00 0.00 64.86 63.28 2x91 h ILE 65 Cb 1.46 0.94 -0.03 0.00 -3.07 0.00 0.00 36.82 36.12 2x91 h ILE 65 CO 0.16 0.40 0.39 0.28 -0.69 0.00 0.00 178.15 178.69 2x91 h SER 66 N 0.82 0.66 -0.92 1.72 0.02 -1.39 -0.71 113.55 113.76 2x91 h SER 66 Ca 0.15 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2x91 h SER 66 Cb 0.56 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.90 2x91 h SER 66 CO 0.03 0.47 0.58 0.00 -1.14 0.00 0.00 176.83 176.77 2x91 h ALA 67 N 1.23 1.28 -0.50 3.77 0.00 -1.25 0.39 119.26 124.18 2x91 h ALA 67 Ca 0.22 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 2x91 h ALA 67 Cb -0.06 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.34 2x91 h ALA 67 CO -0.06 0.64 -0.07 1.49 0.00 0.00 0.00 179.25 181.24 2x91 h GLU 68 N 1.26 0.94 -0.38 0.00 4.81 -0.95 -1.94 114.58 118.33 2x91 h GLU 68 Ca 0.33 -0.34 -0.13 0.00 -0.13 0.00 0.00 59.36 59.09 2x91 h GLU 68 Cb -0.09 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 2x91 h GLU 68 CO -0.07 1.00 -0.30 1.25 -0.73 0.00 0.00 179.01 180.16 2x91 h LEU 69 N 0.80 0.85 -0.72 1.64 5.85 -0.81 -2.73 115.31 120.19 2x91 h LEU 69 Ca 0.13 -0.35 0.02 0.00 0.84 0.00 0.00 57.88 58.52 2x91 h LEU 69 Cb 0.62 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 2x91 h LEU 69 CO 0.04 1.09 0.47 0.00 -0.34 0.00 0.00 178.44 179.69 2x91 h ALA 70 N 0.96 0.92 -0.83 1.25 0.00 -0.80 -1.37 119.26 119.40 2x91 h ALA 70 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2x91 h ALA 70 Cb 0.84 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 2x91 h ALA 70 CO 0.07 0.29 0.53 -0.22 0.00 0.00 0.00 179.25 179.93 2x91 h LYS 71 N 0.93 1.10 -0.44 0.00 3.64 -1.25 -1.80 116.57 118.76 2x91 h LYS 71 Ca 0.27 -0.08 -0.08 0.00 -1.27 0.00 0.00 60.65 59.50 2x91 h LYS 71 Cb -0.06 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.50 2x91 h LYS 71 CO -0.08 0.75 -0.03 0.35 -2.27 0.00 0.00 179.45 178.17 2x91 h PHE 72 N 1.13 0.87 -0.81 1.91 3.57 -1.14 -2.77 116.94 119.70 2x91 h PHE 72 Ca 0.30 -0.16 0.02 0.00 3.53 0.00 0.00 57.97 61.66 2x91 h PHE 72 Cb -0.10 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 38.37 2x91 h PHE 72 CO -0.01 0.86 0.53 0.52 -2.23 0.00 0.00 178.31 177.97 2x91 h MET 73 N 0.62 1.02 -0.53 1.11 2.86 -0.99 -0.42 114.93 118.60 2x91 h MET 73 Ca 0.12 -0.06 0.04 0.00 -2.06 0.00 0.00 59.70 57.74 2x91 h MET 73 Cb 0.53 -0.23 -0.04 0.00 0.06 0.00 0.00 31.60 31.92 2x91 h MET 73 CO 0.03 0.67 0.28 -0.22 1.06 0.00 0.00 176.91 178.73 2x91 h LYS 74 N 1.05 0.52 -0.21 1.72 3.64 -1.22 0.18 116.57 122.24 2x91 h LYS 74 Ca 0.31 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.60 2x91 h LYS 74 Cb -0.06 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.63 2x91 h LYS 74 CO -0.09 0.34 -0.11 0.93 -2.27 0.00 0.00 179.45 178.25 2x91 h GLU 75 N 0.53 0.34 -0.19 1.90 5.08 -1.12 -1.44 114.58 119.69 2x91 h GLU 75 Ca 0.23 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.46 2x91 h GLU 75 Cb 0.12 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2x91 h GLU 75 CO -0.15 0.46 -0.07 0.28 -1.00 0.00 0.00 179.01 178.53 2x91 h VAL 76 N 0.32 1.30 -0.94 3.13 2.07 0.28 -0.80 116.25 121.61 2x91 h VAL 76 Ca 0.07 -1.10 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 2x91 h VAL 76 Cb 0.40 1.63 -0.05 0.00 -1.52 0.00 0.00 31.29 31.75 2x91 h VAL 76 CO 0.02 0.33 0.57 0.00 0.02 0.00 0.00 177.57 178.51 2x91 h ALA 77 N 0.71 1.22 -0.51 1.67 0.00 -0.45 -1.84 119.26 120.06 2x91 h ALA 77 Ca 0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2x91 h ALA 77 Cb 0.54 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2x91 h ALA 77 CO 0.02 0.66 0.23 1.03 0.00 0.00 0.00 179.25 181.20 2x91 h SER 78 N 1.30 0.68 0.45 0.00 0.87 -1.18 -3.03 113.55 112.64 2x91 h SER 78 Ca 0.34 -0.15 -0.03 0.00 -1.23 0.00 0.00 61.79 60.72 2x91 h SER 78 Cb -0.05 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 61.73 2x91 h SER 78 CO -0.06 0.64 -0.15 0.44 -0.53 0.00 0.00 176.83 177.16 2x91 h ASP 79 N 0.68 0.00 0.22 6.23 3.45 -0.56 -2.96 116.42 123.48 2x91 h ASP 79 Ca 0.17 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.61 2x91 h ASP 79 Cb 0.15 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 38.92 2x91 h ASP 79 CO -0.02 0.15 -0.13 0.71 -1.57 0.00 0.00 179.24 178.39 2x91 h THR 80 N 0.00 0.82 0.00 0.35 1.35 -1.22 -2.43 112.91 111.77 2x91 h THR 80 Ca -0.00 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 2x91 h THR 80 Cb 0.42 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.12 2x91 h THR 80 CO 0.02 0.13 0.00 0.71 -0.25 0.00 0.00 175.52 176.12 2x91 h THR 81 N 0.00 0.00 0.00 6.82 1.35 -1.65 -1.46 112.91 117.97 2x91 h THR 81 Ca -0.00 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 2x91 h THR 81 Cb 0.27 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 2x91 h THR 81 CO 0.02 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.58 2x91 n LYS 82 N -2.63 0.12 -4.46 4.72 5.02 -0.92 -4.71 118.16 115.30 2x91 n LYS 82 Ca 0.01 0.24 -0.34 0.00 -2.02 0.00 0.00 58.31 56.19 2x91 n LYS 82 Cb 0.23 -1.68 -0.11 0.00 -0.02 0.00 0.00 35.03 33.44 2x91 n LYS 82 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2x91 s PHE 83 N -3.11 3.02 -0.19 2.13 0.08 -0.55 -5.01 117.98 114.35 2x91 s PHE 83 Ca 0.09 -0.13 -0.06 0.00 0.12 0.00 0.00 56.93 56.94 2x91 s PHE 83 Cb 0.12 -1.86 -0.24 0.00 -0.57 0.00 0.00 43.02 40.47 2x91 s PHE 83 CO 0.44 0.15 3.53 1.04 -0.10 0.00 0.00 175.22 180.28 2x91 n GLN 84 N 2.94 2.20 0.15 0.44 1.13 -1.26 -4.72 117.38 118.26 2x91 n GLN 84 Ca -0.18 -1.18 0.04 0.00 -1.94 0.00 0.00 57.00 53.75 2x91 n GLN 84 Cb 0.53 -2.09 0.46 0.00 0.11 0.00 0.00 30.24 29.24 2x91 n GLN 84 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 2x91 h TRP 85 N 3.21 0.18 0.00 1.08 5.08 -1.95 -0.35 115.95 123.21 2x91 h TRP 85 Ca 0.27 -0.01 0.00 0.00 1.08 0.00 0.00 58.89 60.23 2x91 h TRP 85 Cb 1.36 -0.06 0.00 0.00 -3.00 0.00 0.00 29.16 27.47 2x91 h TRP 85 CO 1.79 0.27 0.00 0.00 -1.28 0.00 0.00 178.44 179.22 2x91 h ARG 86 N 0.18 0.00 -0.01 0.12 3.08 -1.96 -2.34 114.38 113.45 2x91 h ARG 86 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2x91 h ARG 86 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 2x91 h ARG 86 CO 0.01 0.00 -0.17 0.43 -1.07 0.00 0.00 179.97 179.18 2x91 n SER 87 N -2.71 0.97 -4.80 7.04 7.64 -0.14 -4.98 113.62 116.65 2x91 n SER 87 Ca -0.00 -0.94 -0.33 0.00 1.01 0.00 0.00 58.87 58.60 2x91 n SER 87 Cb 0.18 0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 2x91 n SER 87 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2x91 s TYR 88 N -2.38 2.93 0.10 1.43 2.02 -0.88 -4.98 117.35 115.58 2x91 s TYR 88 Ca 0.29 1.53 -0.08 0.00 -0.37 0.00 0.00 57.07 58.43 2x91 s TYR 88 Cb 0.20 -3.06 -0.16 0.00 -0.40 0.00 0.00 41.96 38.53 2x91 s TYR 88 CO 0.47 -1.15 1.24 1.96 -1.57 0.00 0.00 175.55 176.50 2x91 h GLN 89 N 0.71 0.52 -6.38 -0.62 1.08 -1.94 -3.45 115.11 105.03 2x91 h GLN 89 Ca -0.48 -0.58 -0.57 0.00 -1.45 0.00 0.00 58.65 55.57 2x91 h GLN 89 Cb 1.23 0.17 -0.06 0.00 -0.05 0.00 0.00 27.48 28.77 2x91 h GLN 89 CO 0.57 1.21 0.90 0.45 -0.95 0.00 0.00 178.83 181.02 2x91 s SER 90 N -7.18 6.80 0.39 1.46 0.15 -1.26 -4.90 113.70 109.14 2x91 s SER 90 Ca -0.07 1.02 0.05 0.00 0.70 0.00 0.00 55.95 57.65 2x91 s SER 90 Cb 0.08 -2.54 0.77 0.00 -1.71 0.00 0.00 66.02 62.62 2x91 s SER 90 CO 0.89 -1.01 2.04 -0.33 1.20 0.00 0.00 173.24 176.03 2x91 h GLU 91 N 8.69 0.64 -0.19 5.44 4.39 -1.99 -2.17 114.58 129.39 2x91 h GLU 91 Ca -0.23 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.41 2x91 h GLU 91 Cb 1.07 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.57 2x91 h GLU 91 CO 1.05 0.43 0.06 0.22 -1.16 0.00 0.00 179.01 179.61 2x91 h ASP 92 N 0.66 0.27 -0.43 1.42 3.58 -1.94 0.36 116.42 120.34 2x91 h ASP 92 Ca 0.18 -0.21 -0.02 0.00 0.42 0.00 0.00 57.03 57.40 2x91 h ASP 92 Cb -0.06 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 40.90 2x91 h ASP 92 CO -0.04 0.41 0.20 -0.07 -2.88 0.00 0.00 179.24 176.86 2x91 h LEU 93 N 0.12 0.57 -0.76 2.28 3.38 -1.93 -2.06 115.31 116.91 2x91 h LEU 93 Ca 0.06 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 57.91 2x91 h LEU 93 Cb 0.23 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 2x91 h LEU 93 CO -0.00 0.55 0.49 0.11 0.09 0.00 0.00 178.44 179.68 2x91 h LYS 94 N 0.55 0.95 -0.69 1.13 1.57 -1.29 -1.24 116.57 117.54 2x91 h LYS 94 Ca 0.15 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 2x91 h LYS 94 Cb 0.14 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 2x91 h LYS 94 CO -0.02 0.63 0.37 -0.09 -0.57 0.00 0.00 179.45 179.77 2x91 h ARG 95 N 0.98 0.97 -0.12 3.15 2.43 -0.70 -0.69 114.38 120.41 2x91 h ARG 95 Ca 0.29 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 2x91 h ARG 95 Cb -0.05 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.31 2x91 h ARG 95 CO -0.09 0.74 0.02 1.96 -1.51 0.00 0.00 179.97 181.10 2x91 h GLN 96 N 0.95 0.19 -0.82 0.20 4.20 -1.04 -2.17 115.11 116.62 2x91 h GLN 96 Ca 0.24 -0.05 0.03 0.00 0.06 0.00 0.00 58.65 58.93 2x91 h GLN 96 Cb 0.06 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.77 2x91 h GLN 96 CO -0.04 0.37 0.53 0.74 -0.67 0.00 0.00 178.83 179.77 2x91 h PHE 97 N -0.02 1.00 -0.59 2.96 0.04 -1.11 -2.24 116.94 116.98 2x91 h PHE 97 Ca 0.04 0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.84 2x91 h PHE 97 Cb 0.27 -0.33 -0.03 0.00 2.20 0.00 0.00 35.95 38.06 2x91 h PHE 97 CO 0.01 0.59 0.39 -0.22 -0.60 0.00 0.00 178.31 178.48 2x91 h LYS 98 N 1.05 0.77 -0.89 1.51 3.64 -1.02 -1.97 116.57 119.66 2x91 h LYS 98 Ca 0.32 -0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.72 2x91 h LYS 98 Cb -0.03 -0.17 -0.06 0.00 -0.41 0.00 0.00 32.23 31.56 2x91 h LYS 98 CO -0.10 0.51 0.58 0.00 -2.27 0.00 0.00 179.45 178.17 2x91 h ALA 99 N 1.22 1.52 0.00 5.00 0.00 -1.01 -2.46 119.26 123.54 2x91 h ALA 99 Ca 0.22 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 2x91 h ALA 99 Cb -0.08 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 2x91 h ALA 99 CO -0.05 0.35 -0.40 -0.07 0.00 0.00 0.00 179.25 179.08 2x91 h LEU 100 N 1.01 0.00 -0.86 0.00 3.38 -0.79 -3.02 115.31 115.03 2x91 h LEU 100 Ca 0.38 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.31 2x91 h LEU 100 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2x91 h LEU 100 CO -0.14 0.40 -0.18 0.71 0.09 0.00 0.00 178.44 179.31 2x91 h THR 101 N 0.00 0.40 -3.16 0.22 1.35 -0.92 -3.39 112.91 107.40 2x91 h THR 101 Ca -0.00 -1.13 -0.59 0.00 -0.55 0.00 0.00 66.41 64.13 2x91 h THR 101 Cb 0.81 1.84 -0.11 0.00 -1.73 0.00 0.00 68.15 68.97 2x91 h THR 101 CO 0.05 0.18 0.68 -0.54 -0.25 0.00 0.00 175.52 175.64 2x91 s LYS 102 N -3.49 3.37 0.04 4.72 1.02 -1.14 -4.90 119.74 119.36 2x91 s LYS 102 Ca 0.02 -0.15 0.16 0.00 0.02 0.00 0.00 55.97 56.03 2x91 s LYS 102 Cb 0.09 -4.05 -0.15 0.00 -0.52 0.00 0.00 37.83 33.20 2x91 s LYS 102 CO 0.64 -1.56 0.78 1.28 -0.92 0.00 0.00 175.35 175.57 2x91 n LEU 103 N 7.76 0.83 0.00 3.17 4.77 -1.26 -5.02 117.00 127.25 2x91 n LEU 103 Ca 0.03 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 2x91 n LEU 103 Cb 0.48 0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 2x91 n LEU 103 CO 0.66 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.50 2x91 n GLY 104 N 1.42 3.19 0.29 -0.72 0.00 -1.26 -2.35 105.19 105.75 2x91 n GLY 104 Ca -0.11 -0.27 0.13 0.00 0.00 0.00 0.00 46.02 45.77 2x91 n GLY 104 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2x91 h TYR 105 N 0.00 0.00 0.00 1.61 0.05 -1.97 -2.46 116.97 114.20 2x91 h TYR 105 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2x91 h TYR 105 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 2x91 h TYR 105 CO 0.00 0.02 0.00 0.00 -1.05 0.00 0.00 178.16 177.13 2x91 n ALA 106 N -2.36 1.24 0.26 3.88 0.00 -0.99 -1.69 120.51 120.85 2x91 n ALA 106 Ca -0.03 0.08 0.16 0.00 0.00 0.00 0.00 53.44 53.65 2x91 n ALA 106 Cb 0.10 -1.22 0.53 0.00 0.00 0.00 0.00 19.45 18.86 2x91 n ALA 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2x91 h ALA 107 N 2.13 1.00 -2.81 0.00 0.00 -1.60 -3.43 119.26 114.55 2x91 h ALA 107 Ca 0.00 -0.01 -0.52 0.00 0.00 0.00 0.00 54.91 54.38 2x91 h ALA 107 Cb 0.11 -0.00 0.11 0.00 0.00 0.00 0.00 17.79 18.00 2x91 h ALA 107 CO 0.00 0.01 0.48 -0.51 0.00 0.00 0.00 179.25 179.23 2x91 s LEU 108 N -6.21 3.71 0.72 0.00 1.43 -0.68 -4.99 118.68 112.66 2x91 s LEU 108 Ca 0.03 2.38 -0.16 0.00 -1.03 0.00 0.00 54.13 55.35 2x91 s LEU 108 Cb 0.08 -4.56 -0.02 0.00 0.03 0.00 0.00 46.19 41.72 2x91 s LEU 108 CO 0.58 -1.50 0.75 -2.65 0.23 0.00 0.00 176.35 173.77 2x91 n PRO 109 N -1.45 0.41 -0.19 1.29 -0.02 -1.26 -4.64 135.00 129.14 2x91 n PRO 109 Ca 0.13 0.19 -0.03 0.00 -2.02 0.00 0.00 63.50 61.76 2x91 n PRO 109 Cb 0.49 -2.02 0.03 0.00 -0.02 0.00 0.00 33.50 31.98 2x91 n PRO 109 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2x91 h GLU 110 N -0.29 -0.10 -0.62 -0.52 4.81 -1.95 -0.69 114.58 115.22 2x91 h GLU 110 Ca -0.46 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 58.70 2x91 h GLU 110 Cb 1.34 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.72 2x91 h GLU 110 CO 0.45 -0.07 0.10 -0.44 -0.73 0.00 0.00 179.01 178.32 2x91 h ASP 111 N -0.10 0.96 -0.31 1.04 3.32 -2.00 -2.23 116.42 117.10 2x91 h ASP 111 Ca 0.26 -0.22 -0.12 0.00 0.02 0.00 0.00 57.03 56.97 2x91 h ASP 111 Cb 0.51 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 2x91 h ASP 111 CO -0.64 0.96 -0.24 0.44 -1.72 0.00 0.00 179.24 178.05 2x91 h ASP 112 N 0.95 0.82 -0.50 6.45 3.32 -1.66 -1.88 116.42 123.90 2x91 h ASP 112 Ca 0.19 -0.30 -0.10 0.00 0.02 0.00 0.00 57.03 56.84 2x91 h ASP 112 Cb 0.42 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 2x91 h ASP 112 CO 0.01 1.02 -0.08 0.22 -1.72 0.00 0.00 179.24 178.69 2x91 h TYR 113 N 0.69 1.05 -0.67 4.55 3.20 -1.02 -1.70 116.97 123.07 2x91 h TYR 113 Ca 0.09 -0.21 -0.02 0.00 3.14 0.00 0.00 58.73 61.72 2x91 h TYR 113 Cb 0.76 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.73 2x91 h TYR 113 CO 0.04 1.00 0.32 0.00 -1.64 0.00 0.00 178.16 177.88 2x91 h ALA 114 N 0.91 0.86 -0.58 1.82 0.00 -1.27 -1.29 119.26 119.70 2x91 h ALA 114 Ca 0.13 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2x91 h ALA 114 Cb 0.63 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2x91 h ALA 114 CO 0.04 0.42 0.25 1.49 0.00 0.00 0.00 179.25 181.45 2x91 h GLU 115 N 0.92 0.86 -0.51 0.00 4.81 -1.25 -1.99 114.58 117.42 2x91 h GLU 115 Ca 0.23 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 2x91 h GLU 115 Cb 0.11 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 2x91 h GLU 115 CO -0.03 0.73 0.30 1.25 -0.73 0.00 0.00 179.01 180.53 2x91 h LEU 116 N 0.80 0.63 -0.68 1.64 5.85 -1.02 -0.80 115.31 121.74 2x91 h LEU 116 Ca 0.20 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.87 2x91 h LEU 116 Cb 0.18 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 2x91 h LEU 116 CO -0.02 0.52 0.43 -0.07 -0.34 0.00 0.00 178.44 178.96 2x91 h LEU 117 N 0.69 0.71 -0.90 2.25 3.38 -1.07 -0.04 115.31 120.33 2x91 h LEU 117 Ca 0.18 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 2x91 h LEU 117 Cb 0.02 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2x91 h LEU 117 CO -0.03 0.50 0.04 0.44 0.09 0.00 0.00 178.44 179.48 2x91 h ASP 118 N 0.85 0.82 -0.40 -0.43 3.45 -1.06 -1.60 116.42 118.05 2x91 h ASP 118 Ca 0.27 -0.19 -0.07 0.00 0.43 0.00 0.00 57.03 57.46 2x91 h ASP 118 Cb -0.01 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 38.53 2x91 h ASP 118 CO -0.09 0.86 -0.04 0.74 -1.57 0.00 0.00 179.24 179.13 2x91 h THR 119 N 0.81 1.27 -0.52 0.35 2.02 -0.62 -1.61 112.91 114.60 2x91 h THR 119 Ca 0.16 -1.09 -0.04 0.00 0.77 0.00 0.00 66.41 66.21 2x91 h THR 119 Cb 0.42 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.98 2x91 h THR 119 CO 0.01 0.36 0.16 -0.07 0.37 0.00 0.00 175.52 176.36 2x91 h LEU 120 N 0.55 0.76 -0.70 2.58 3.38 -0.84 -2.14 115.31 118.89 2x91 h LEU 120 Ca 0.11 -0.21 -0.14 0.00 0.09 0.00 0.00 57.88 57.73 2x91 h LEU 120 Cb 0.54 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2x91 h LEU 120 CO 0.03 0.77 -0.50 0.77 0.09 0.00 0.00 178.44 179.59 2x91 h SER 121 N 0.71 0.40 -0.71 -0.43 4.64 -1.29 -1.39 113.55 115.49 2x91 h SER 121 Ca 0.17 -0.20 0.04 0.00 -0.47 0.00 0.00 61.79 61.33 2x91 h SER 121 Cb 0.28 -0.11 -0.05 0.00 -0.31 0.00 0.00 62.40 62.21 2x91 h SER 121 CO -0.00 0.84 0.43 0.00 -0.87 0.00 0.00 176.83 177.23 2x91 h ALA 122 N 1.17 0.94 -0.06 5.18 0.00 -1.13 -0.64 119.26 124.71 2x91 h ALA 122 Ca 0.01 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2x91 h ALA 122 Cb 0.99 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2x91 h ALA 122 CO 0.09 0.18 -0.19 0.52 0.00 0.00 0.00 179.25 179.84 2x91 h MET 123 N 0.83 0.24 -0.55 0.00 2.07 -1.17 -2.14 114.93 114.21 2x91 h MET 123 Ca 0.30 -0.17 -0.07 0.00 -2.07 0.00 0.00 59.70 57.68 2x91 h MET 123 Cb 0.08 0.03 -0.02 0.00 -1.87 0.00 0.00 31.60 29.81 2x91 h MET 123 CO -0.13 0.80 0.08 1.49 1.07 0.00 0.00 176.91 180.22 2x91 h GLU 124 N -0.27 0.91 -0.42 1.72 4.81 -1.23 -1.99 114.58 118.12 2x91 h GLU 124 Ca -0.01 -0.25 -0.13 0.00 -0.13 0.00 0.00 59.36 58.85 2x91 h GLU 124 Cb 0.81 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 2x91 h GLU 124 CO 0.04 0.88 -0.26 0.66 -0.73 0.00 0.00 179.01 179.61 2x91 h SER 125 N 0.80 0.90 -0.15 1.04 4.64 -1.20 -1.06 113.55 118.53 2x91 h SER 125 Ca 0.17 -0.35 0.04 0.00 -0.47 0.00 0.00 61.79 61.18 2x91 h SER 125 Cb 0.42 -0.25 -0.04 0.00 -0.31 0.00 0.00 62.40 62.21 2x91 h SER 125 CO 0.01 1.11 -0.12 -1.13 -0.87 0.00 0.00 176.83 175.83 2x91 h ASN 126 N 0.75 -0.39 -0.36 4.97 -0.73 -1.29 -0.75 115.58 117.77 2x91 h ASN 126 Ca 0.09 0.08 0.06 0.00 1.87 0.00 0.00 56.30 58.40 2x91 h ASN 126 Cb 0.81 0.20 -0.05 0.00 0.27 0.00 0.00 38.32 39.54 2x91 h ASN 126 CO 0.07 -0.16 0.05 0.15 -0.37 0.00 0.00 177.43 177.17 2x91 h PHE 127 N -0.14 0.07 0.00 0.67 3.57 -1.14 -2.60 116.94 117.38 2x91 h PHE 127 Ca 0.09 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 2x91 h PHE 127 Cb 0.28 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.04 2x91 h PHE 127 CO -0.25 -0.01 -0.00 0.00 -2.23 0.00 0.00 178.31 175.82 2x91 h ALA 128 N 1.29 1.00 -0.46 2.41 0.00 -0.86 -3.09 119.26 119.55 2x91 h ALA 128 Ca 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2x91 h ALA 128 Cb 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2x91 h ALA 128 CO -0.25 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.63 2x91 n LYS 129 N -3.09 2.50 -1.90 0.00 5.02 -0.32 -4.69 118.16 115.68 2x91 n LYS 129 Ca 0.01 -2.30 -0.42 0.00 -2.02 0.00 0.00 58.31 53.58 2x91 n LYS 129 Cb 0.31 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.81 2x91 n LYS 129 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2x91 s VAL 130 N -1.25 2.55 -0.01 -0.18 1.01 -1.11 -5.01 120.40 116.39 2x91 s VAL 130 Ca 0.38 0.38 0.01 0.00 0.00 0.00 0.00 61.98 62.75 2x91 s VAL 130 Cb 0.21 -3.24 0.01 0.00 0.00 0.00 0.00 36.38 33.36 2x91 s VAL 130 CO 0.29 0.03 -0.04 -0.54 0.00 0.00 0.00 175.10 174.84 2x91 s LYS 131 N 1.23 0.41 0.32 2.72 -0.14 -1.26 -4.37 119.74 118.64 2x91 s LYS 131 Ca 0.71 -0.11 0.10 0.00 -1.36 0.00 0.00 55.97 55.31 2x91 s LYS 131 Cb -0.44 -0.43 -0.06 0.00 -1.68 0.00 0.00 37.83 35.21 2x91 s LYS 131 CO 0.31 0.03 -0.13 0.14 -0.76 0.00 0.00 175.35 174.94 2x91 s VAL 132 N 0.22 2.30 0.21 3.17 -7.23 0.04 -4.90 120.40 114.22 2x91 s VAL 132 Ca -0.02 -2.28 -0.19 0.00 -1.81 0.00 0.00 61.98 57.68 2x91 s VAL 132 Cb -0.05 -2.50 -0.08 0.00 0.56 0.00 0.00 36.38 34.30 2x91 s VAL 132 CO -0.00 -0.28 0.71 0.00 -0.31 0.00 0.00 175.10 175.21 2x91 n ASP 134 N 0.75 3.32 -0.14 0.00 4.64 0.58 -4.90 116.55 120.80 2x91 n ASP 134 Ca -0.03 1.18 0.06 0.00 -1.38 0.00 0.00 54.79 54.62 2x91 n ASP 134 Cb 0.51 -1.53 0.36 0.00 -1.04 0.00 0.00 41.12 39.42 2x91 n ASP 134 CO 0.00 0.00 0.00 0.22 -0.82 0.00 0.00 177.20 176.60 2x91 h TYR 135 N 3.72 0.71 0.00 -0.67 3.20 -1.96 -2.81 116.97 119.16 2x91 h TYR 135 Ca -0.47 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.42 2x91 h TYR 135 Cb 1.25 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 39.29 2x91 h TYR 135 CO 0.55 0.40 -1.27 1.63 -1.64 0.00 0.00 178.16 177.83 2x91 n LYS 136 N -4.47 0.24 -3.46 1.82 5.02 -1.26 -4.81 118.16 111.24 2x91 n LYS 136 Ca 0.09 -0.06 -0.27 0.00 -2.02 0.00 0.00 58.31 56.05 2x91 n LYS 136 Cb 0.18 -1.52 -0.12 0.00 -0.02 0.00 0.00 35.03 33.55 2x91 n LYS 136 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2x91 s ASP 137 N -3.60 2.81 0.00 4.39 -1.08 -1.06 -5.00 116.67 113.13 2x91 s ASP 137 Ca 0.03 -1.93 0.12 0.00 -0.52 0.00 0.00 52.55 50.25 2x91 s ASP 137 Cb 0.15 -0.25 0.70 0.00 -1.46 0.00 0.00 42.92 42.06 2x91 s ASP 137 CO 0.86 -0.33 1.19 -1.54 0.52 0.00 0.00 175.17 175.88 2x91 n SER 138 N 4.30 0.00 -0.00 -0.34 3.41 -1.24 -1.89 113.62 117.85 2x91 n SER 138 Ca 0.09 -0.25 -0.15 0.00 -0.26 0.00 0.00 58.87 58.30 2x91 n SER 138 Cb 0.39 -0.07 -0.14 0.00 -0.26 0.00 0.00 64.21 64.13 2x91 n SER 138 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2x91 h THR 139 N 0.00 0.78 -2.70 6.66 2.02 -1.94 -3.44 112.91 114.29 2x91 h THR 139 Ca 0.00 -2.56 -0.57 0.00 0.77 0.00 0.00 66.41 64.05 2x91 h THR 139 Cb 0.03 2.48 -0.10 0.00 -1.74 0.00 0.00 68.15 68.82 2x91 h THR 139 CO 0.00 0.69 0.85 -0.75 0.37 0.00 0.00 175.52 176.68 2x91 s LYS 140 N -2.58 3.25 -0.33 6.66 2.20 -0.79 -4.89 119.74 123.25 2x91 s LYS 140 Ca -0.12 -0.30 0.08 0.00 -0.36 0.00 0.00 55.97 55.26 2x91 s LYS 140 Cb 0.07 -4.14 0.45 0.00 -1.51 0.00 0.00 37.83 32.70 2x91 s LYS 140 CO 0.80 -1.89 1.16 0.00 -0.36 0.00 0.00 175.35 175.06 2x91 n ASP 142 N -0.63 1.61 -4.63 0.00 5.75 -1.21 -4.37 116.55 113.07 2x91 n ASP 142 Ca 0.40 -3.42 -0.42 0.00 -0.01 0.00 0.00 54.79 51.34 2x91 n ASP 142 Cb 0.87 -0.47 -0.04 0.00 -1.03 0.00 0.00 41.12 40.46 2x91 n ASP 142 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2x91 s LEU 143 N -2.53 4.04 0.32 -2.12 1.02 -1.04 -4.89 118.68 113.48 2x91 s LEU 143 Ca 0.35 0.89 0.03 0.00 0.02 0.00 0.00 54.13 55.42 2x91 s LEU 143 Cb 0.35 -3.28 -0.03 0.00 0.02 0.00 0.00 46.19 43.26 2x91 s LEU 143 CO -0.07 -0.70 0.49 0.00 0.02 0.00 0.00 176.35 176.09 2x91 s ALA 144 N 3.19 3.84 0.14 4.21 0.00 -1.26 -0.78 121.76 131.11 2x91 s ALA 144 Ca 0.38 -1.10 -0.22 0.00 0.00 0.00 0.00 51.96 51.02 2x91 s ALA 144 Cb -0.14 -1.94 0.01 0.00 0.00 0.00 0.00 23.12 21.06 2x91 s ALA 144 CO 0.12 0.02 1.64 1.25 0.00 0.00 0.00 175.76 178.79 2x91 h LEU 145 N 0.86 -0.68 -8.32 0.00 5.85 -1.95 -0.24 115.31 110.83 2x91 h LEU 145 Ca -0.50 0.12 -0.69 0.00 0.84 0.00 0.00 57.88 57.66 2x91 h LEU 145 Cb 1.23 0.32 -0.27 0.00 0.37 0.00 0.00 40.66 42.31 2x91 h LEU 145 CO 0.60 -0.26 -0.60 -0.62 -0.34 0.00 0.00 178.44 177.22 2x91 s ASP 146 N -5.03 5.28 -0.00 1.25 -1.08 -1.26 -1.17 116.67 114.65 2x91 s ASP 146 Ca -0.15 -0.90 0.17 0.00 -0.52 0.00 0.00 52.55 51.15 2x91 s ASP 146 Cb 0.11 -1.90 -0.20 0.00 -1.46 0.00 0.00 42.92 39.48 2x91 s ASP 146 CO 0.68 -0.27 0.69 -0.81 0.52 0.00 0.00 175.17 175.98 2x91 n PRO 147 N 4.86 1.16 0.22 4.34 -0.04 -1.26 -4.99 135.00 139.30 2x91 n PRO 147 Ca -0.13 -0.02 -0.15 0.00 -0.04 0.00 0.00 63.50 63.15 2x91 n PRO 147 Cb 0.46 -1.33 -0.08 0.00 -0.04 0.00 0.00 33.50 32.51 2x91 n PRO 147 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2x91 h GLU 148 N 0.00 -0.52 -0.25 0.54 3.07 -1.47 -1.43 114.58 114.52 2x91 h GLU 148 Ca 0.00 0.04 -0.14 0.00 -0.50 0.00 0.00 59.36 58.75 2x91 h GLU 148 Cb 0.47 0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 28.50 2x91 h GLU 148 CO 0.00 -0.35 -0.40 0.82 -1.40 0.00 0.00 179.01 177.68 2x91 h ILE 149 N -0.54 1.31 -0.29 3.13 2.04 -0.89 -2.99 117.51 119.27 2x91 h ILE 149 Ca -0.04 -1.60 -0.02 0.00 1.00 0.00 0.00 64.86 64.19 2x91 h ILE 149 Cb 0.44 1.73 -0.02 0.00 -0.74 0.00 0.00 36.82 38.23 2x91 h ILE 149 CO 0.06 0.51 0.08 -0.33 0.00 0.00 0.00 178.15 178.47 2x91 h GLU 150 N 0.43 0.42 -0.27 2.37 5.08 -1.13 -1.25 114.58 120.22 2x91 h GLU 150 Ca 0.02 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2x91 h GLU 150 Cb 0.99 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 2x91 h GLU 150 CO 0.09 0.38 0.18 1.49 -1.00 0.00 0.00 179.01 180.15 2x91 h GLU 151 N 0.42 0.35 0.00 2.33 4.57 -1.15 -1.78 114.58 119.32 2x91 h GLU 151 Ca 0.10 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.26 2x91 h GLU 151 Cb 0.15 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 2x91 h GLU 151 CO -0.01 0.23 -0.00 0.28 -1.18 0.00 0.00 179.01 178.33 2x91 h VAL 152 N 0.36 1.18 -0.92 0.32 2.07 -1.25 -1.72 116.25 116.29 2x91 h VAL 152 Ca 0.10 -0.56 0.12 0.00 0.82 0.00 0.00 66.70 67.19 2x91 h VAL 152 Cb -0.03 1.56 -0.07 0.00 -1.52 0.00 0.00 31.29 31.22 2x91 h VAL 152 CO -0.03 0.14 0.59 0.40 0.02 0.00 0.00 177.57 178.70 2x91 h ILE 153 N -0.24 0.91 0.00 4.57 1.08 -1.23 0.22 117.51 122.81 2x91 h ILE 153 Ca -0.00 -0.29 -0.10 0.00 -0.39 0.00 0.00 64.86 64.07 2x91 h ILE 153 Cb 0.24 -0.02 -0.02 0.00 -3.07 0.00 0.00 36.82 33.96 2x91 h ILE 153 CO 0.00 0.16 -0.54 0.77 -0.69 0.00 0.00 178.15 177.84 2x91 h SER 154 N 0.85 0.00 0.00 1.72 4.64 -1.21 -3.37 113.55 116.18 2x91 h SER 154 Ca 0.45 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.63 2x91 h SER 154 Cb 0.54 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.61 2x91 h SER 154 CO -0.21 0.48 -1.54 0.29 -0.87 0.00 0.00 176.83 174.98 2x91 n LYS 155 N -3.20 0.94 -2.15 4.77 5.02 -0.66 -4.78 118.16 118.11 2x91 n LYS 155 Ca 0.01 0.04 -0.41 0.00 -2.02 0.00 0.00 58.31 55.94 2x91 n LYS 155 Cb 0.73 -1.19 -0.02 0.00 -0.02 0.00 0.00 35.03 34.53 2x91 n LYS 155 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2x91 s SER 156 N -4.66 6.82 -0.18 4.39 0.15 0.69 -4.93 113.70 115.98 2x91 s SER 156 Ca -0.10 2.62 0.16 0.00 0.70 0.00 0.00 55.95 59.32 2x91 s SER 156 Cb 0.03 -2.64 0.41 0.00 -1.71 0.00 0.00 66.02 62.11 2x91 s SER 156 CO 0.25 -0.52 1.28 0.54 1.20 0.00 0.00 173.24 175.99 2x91 n ARG 157 N 1.22 1.86 -3.23 5.44 5.12 -1.26 -4.92 116.66 120.89 2x91 n ARG 157 Ca 0.01 -2.86 -0.44 0.00 -1.93 0.00 0.00 57.85 52.64 2x91 n ARG 157 Cb 0.42 -1.66 -0.07 0.00 -1.16 0.00 0.00 32.46 29.99 2x91 n ARG 157 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2x91 s ASP 158 N -2.63 6.20 0.43 0.55 -1.08 -1.26 -4.97 116.67 113.92 2x91 s ASP 158 Ca 0.38 -1.02 0.11 0.00 -0.52 0.00 0.00 52.55 51.49 2x91 s ASP 158 Cb 0.33 -2.26 0.95 0.00 -1.46 0.00 0.00 42.92 40.48 2x91 s ASP 158 CO 0.03 -0.81 2.03 1.12 0.52 0.00 0.00 175.17 178.06 2x91 h HIS 159 N 8.91 0.26 -0.06 -5.34 2.07 -1.97 -1.23 115.15 117.79 2x91 h HIS 159 Ca -0.28 -0.01 -0.18 0.00 -2.85 0.00 0.00 60.37 57.06 2x91 h HIS 159 Cb 1.10 -0.08 -0.01 0.00 2.57 0.00 0.00 27.41 30.99 2x91 h HIS 159 CO 0.71 0.25 -0.74 0.93 -3.07 0.00 0.00 177.93 176.01 2x91 h GLU 160 N 0.27 0.33 -0.05 5.12 5.08 -1.99 -1.80 114.58 121.54 2x91 h GLU 160 Ca 0.07 -0.28 -0.00 0.00 -1.00 0.00 0.00 59.36 58.14 2x91 h GLU 160 Cb 0.13 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 2x91 h GLU 160 CO -0.00 0.93 0.02 1.49 -1.00 0.00 0.00 179.01 180.45 2x91 h GLU 161 N 0.22 0.07 -0.64 2.33 4.81 -1.80 -1.81 114.58 117.76 2x91 h GLU 161 Ca -0.03 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.26 2x91 h GLU 161 Cb 1.31 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.62 2x91 h GLU 161 CO 0.12 0.23 0.32 -0.07 -0.73 0.00 0.00 179.01 178.89 2x91 h LEU 162 N -0.10 0.44 -0.98 1.64 3.38 -1.23 -2.28 115.31 116.18 2x91 h LEU 162 Ca 0.02 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 2x91 h LEU 162 Cb 0.19 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2x91 h LEU 162 CO -0.00 0.28 -0.06 0.00 0.09 0.00 0.00 178.44 178.75 2x91 h ALA 163 N 1.37 1.15 0.21 1.53 0.00 -1.24 -1.26 119.26 121.01 2x91 h ALA 163 Ca 0.30 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2x91 h ALA 163 Cb 0.26 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2x91 h ALA 163 CO -0.22 0.54 -0.11 -0.92 0.00 0.00 0.00 179.25 178.54 2x91 h TYR 164 N 0.62 -0.28 -0.20 0.00 3.20 -0.79 -2.00 116.97 117.52 2x91 h TYR 164 Ca 0.12 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.89 2x91 h TYR 164 Cb 0.48 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 2x91 h TYR 164 CO 0.02 -0.18 -0.29 1.88 -1.64 0.00 0.00 178.16 177.95 2x91 h TYR 165 N -0.29 0.44 0.32 -3.82 0.05 -1.22 -1.52 116.97 110.92 2x91 h TYR 165 Ca -0.02 -0.10 -0.02 0.00 0.05 0.00 0.00 58.73 58.64 2x91 h TYR 165 Cb 0.23 -0.11 0.00 0.00 1.01 0.00 0.00 36.73 37.87 2x91 h TYR 165 CO -0.07 0.65 -0.15 2.35 -1.05 0.00 0.00 178.16 179.89 2x91 h TRP 166 N 0.34 -0.39 -0.29 4.88 7.01 -1.16 -1.51 115.95 124.83 2x91 h TRP 166 Ca 0.05 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.03 2x91 h TRP 166 Cb 0.69 0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.87 2x91 h TRP 166 CO 0.02 -0.24 0.16 -0.09 -2.79 0.00 0.00 178.44 175.51 2x91 h ARG 167 N -0.44 0.39 -0.43 2.65 2.43 -1.17 -1.19 114.38 116.63 2x91 h ARG 167 Ca -0.04 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.10 2x91 h ARG 167 Cb 0.33 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 2x91 h ARG 167 CO 0.07 0.32 0.27 0.93 -1.51 0.00 0.00 179.97 180.05 2x91 h GLU 168 N 0.35 0.52 -0.15 0.20 4.39 -1.27 -1.50 114.58 117.13 2x91 h GLU 168 Ca 0.10 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.74 2x91 h GLU 168 Cb 0.04 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.56 2x91 h GLU 168 CO -0.02 0.35 -0.03 0.35 -1.16 0.00 0.00 179.01 178.49 2x91 h PHE 169 N 0.54 0.32 -0.72 4.33 3.57 -1.10 -2.83 116.94 121.06 2x91 h PHE 169 Ca 0.16 -0.07 -0.06 0.00 3.53 0.00 0.00 57.97 61.54 2x91 h PHE 169 Cb -0.02 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.61 2x91 h PHE 169 CO -0.06 0.56 0.21 1.88 -2.23 0.00 0.00 178.31 178.68 2x91 h TYR 170 N -0.02 1.15 -0.96 0.41 -1.99 -1.17 0.18 116.97 114.57 2x91 h TYR 170 Ca 0.04 -0.12 0.02 0.00 2.00 0.00 0.00 58.73 60.67 2x91 h TYR 170 Cb 0.46 -0.33 -0.05 0.00 2.00 0.00 0.00 36.73 38.81 2x91 h TYR 170 CO 0.05 0.92 0.63 -0.44 -0.00 0.00 0.00 178.16 179.32 2x91 h ASP 171 N 1.07 1.09 0.21 3.88 3.32 -1.30 0.12 116.42 124.81 2x91 h ASP 171 Ca 0.23 -0.02 -0.35 0.00 0.02 0.00 0.00 57.03 56.91 2x91 h ASP 171 Cb 0.31 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 2x91 h ASP 171 CO -0.01 0.77 -1.86 0.11 -1.72 0.00 0.00 179.24 176.54 2x91 h LYS 172 N 1.27 0.28 0.02 3.56 1.57 -1.22 -3.05 116.57 119.00 2x91 h LYS 172 Ca 0.36 -0.47 -0.28 0.00 -1.87 0.00 0.00 60.65 58.39 2x91 h LYS 172 Cb -0.10 0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.34 2x91 h LYS 172 CO -0.09 1.17 -1.55 0.00 -0.57 0.00 0.00 179.45 178.41 2x91 h ALA 173 N 0.21 0.62 -0.48 3.86 0.00 -0.71 -3.38 119.26 119.38 2x91 h ALA 173 Ca -0.37 -1.31 0.00 0.00 0.00 0.00 0.00 54.91 53.23 2x91 h ALA 173 Cb 2.05 0.34 0.00 0.00 0.00 0.00 0.00 17.79 20.18 2x91 h ALA 173 CO 0.12 1.46 0.00 0.41 0.00 0.00 0.00 179.25 181.24 2x91 n GLY 174 N 1.54 -0.41 0.35 0.00 0.00 0.40 -3.75 105.19 103.32 2x91 n GLY 174 Ca -0.14 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.95 2x91 n GLY 174 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2x91 h THR 175 N 0.00 1.01 0.00 2.61 2.02 -0.71 -2.39 112.91 115.45 2x91 h THR 175 Ca 0.00 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.91 2x91 h THR 175 Cb 0.00 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 66.58 2x91 h THR 175 CO 0.00 0.14 0.00 0.00 0.37 0.00 0.00 175.52 176.03 2x91 n ALA 176 N -2.44 1.17 -0.10 6.16 0.00 -1.16 -2.62 120.51 121.52 2x91 n ALA 176 Ca 0.11 0.11 0.01 0.00 0.00 0.00 0.00 53.44 53.68 2x91 n ALA 176 Cb 0.24 -1.24 0.03 0.00 0.00 0.00 0.00 19.45 18.49 2x91 n ALA 176 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2x91 n VAL 177 N -2.00 1.07 -0.06 0.00 0.31 -0.90 -4.78 118.33 111.97 2x91 n VAL 177 Ca -0.00 -1.09 -0.07 0.00 -0.01 0.00 0.00 64.34 63.16 2x91 n VAL 177 Cb 0.07 0.44 -0.01 0.00 -0.91 0.00 0.00 33.84 33.43 2x91 n VAL 177 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2x91 h ARG 178 N 0.29 0.06 -0.52 5.55 2.43 -1.62 -0.10 114.38 120.48 2x91 h ARG 178 Ca 0.00 -0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 2x91 h ARG 178 Cb 0.57 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 2x91 h ARG 178 CO 0.00 0.04 0.06 0.66 -1.51 0.00 0.00 179.97 179.22 2x91 h SER 179 N 0.06 0.79 -0.42 -3.80 4.64 -1.86 -0.89 113.55 112.07 2x91 h SER 179 Ca 0.12 -0.17 -0.06 0.00 -0.47 0.00 0.00 61.79 61.21 2x91 h SER 179 Cb 0.17 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 2x91 h SER 179 CO -0.22 0.82 0.02 1.56 -0.87 0.00 0.00 176.83 178.14 2x91 h GLN 180 N 0.78 0.72 -0.70 4.77 7.50 -1.85 -2.80 115.11 123.53 2x91 h GLN 180 Ca 0.16 -0.22 -0.02 0.00 0.50 0.00 0.00 58.65 59.08 2x91 h GLN 180 Cb 0.39 -0.07 -0.03 0.00 0.05 0.00 0.00 27.48 27.82 2x91 h GLN 180 CO 0.01 0.79 0.37 0.35 -1.50 0.00 0.00 178.83 178.84 2x91 h PHE 181 N 0.56 0.96 -0.47 2.96 3.57 -0.55 -1.03 116.94 122.94 2x91 h PHE 181 Ca 0.12 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 2x91 h PHE 181 Cb 0.45 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 2x91 h PHE 181 CO 0.03 0.68 0.23 0.93 -2.23 0.00 0.00 178.31 177.96 2x91 h GLU 182 N 0.98 0.68 -0.32 1.11 5.08 -1.10 -1.21 114.58 119.81 2x91 h GLU 182 Ca 0.25 -0.10 -0.11 0.00 -1.00 0.00 0.00 59.36 58.40 2x91 h GLU 182 Cb 0.05 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2x91 h GLU 182 CO -0.04 0.57 -0.26 -0.09 -1.00 0.00 0.00 179.01 178.19 2x91 h ARG 183 N 0.62 0.63 -0.21 2.33 9.65 -1.22 -2.34 114.38 123.84 2x91 h ARG 183 Ca 0.16 -0.25 0.01 0.00 -1.10 0.00 0.00 59.98 58.79 2x91 h ARG 183 Cb 0.11 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.64 2x91 h ARG 183 CO -0.02 0.83 0.13 -0.92 2.80 0.00 0.00 179.97 182.79 2x91 h TYR 184 N 0.55 0.25 -0.50 2.20 3.20 -0.94 -0.70 116.97 121.03 2x91 h TYR 184 Ca 0.07 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.00 2x91 h TYR 184 Cb 0.73 -0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.87 2x91 h TYR 184 CO 0.03 0.15 0.23 0.28 -1.64 0.00 0.00 178.16 177.21 2x91 h VAL 185 N 0.27 0.92 -0.35 1.81 2.07 -1.10 0.16 116.25 120.04 2x91 h VAL 185 Ca 0.08 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.48 2x91 h VAL 185 Cb -0.02 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 2x91 h VAL 185 CO -0.03 0.08 0.15 -0.33 0.02 0.00 0.00 177.57 177.46 2x91 h GLU 186 N 0.45 0.30 0.01 1.57 5.08 -1.15 -1.46 114.58 119.38 2x91 h GLU 186 Ca 0.22 -0.02 -0.21 0.00 -1.00 0.00 0.00 59.36 58.36 2x91 h GLU 186 Cb 0.17 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2x91 h GLU 186 CO -0.18 0.20 -0.90 -0.07 -1.00 0.00 0.00 179.01 177.06 2x91 h LEU 187 N 0.31 0.32 -0.77 1.33 3.38 -0.86 -1.73 115.31 117.29 2x91 h LEU 187 Ca 0.15 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.87 2x91 h LEU 187 Cb 0.10 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 2x91 h LEU 187 CO -0.13 1.07 0.51 -1.13 0.09 0.00 0.00 178.44 178.85 2x91 h ASN 188 N 0.13 0.89 -0.31 -0.43 -0.73 -0.61 -0.78 115.58 113.74 2x91 h ASN 188 Ca -0.05 -0.02 -0.06 0.00 1.87 0.00 0.00 56.30 58.04 2x91 h ASN 188 Cb 1.54 -0.22 -0.01 0.00 0.27 0.00 0.00 38.32 39.90 2x91 h ASN 188 CO 0.14 0.64 -0.03 0.74 -0.37 0.00 0.00 177.43 178.56 2x91 h THR 189 N 1.05 1.27 -0.54 -3.57 2.02 -1.17 -1.55 112.91 110.42 2x91 h THR 189 Ca 0.28 -1.01 0.04 0.00 0.77 0.00 0.00 66.41 66.49 2x91 h THR 189 Cb -0.12 1.30 -0.04 0.00 -1.74 0.00 0.00 68.15 67.55 2x91 h THR 189 CO -0.06 0.33 0.31 0.50 0.37 0.00 0.00 175.52 176.96 2x91 h LYS 190 N 0.36 0.58 -0.17 6.66 3.64 -1.17 -1.65 116.57 124.83 2x91 h LYS 190 Ca 0.09 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.44 2x91 h LYS 190 Cb 0.49 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 2x91 h LYS 190 CO 0.02 0.39 0.08 0.00 -2.27 0.00 0.00 179.45 177.67 2x91 h ALA 191 N 1.26 0.20 -0.66 5.00 0.00 -1.02 -1.77 119.26 122.27 2x91 h ALA 191 Ca 0.23 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.16 2x91 h ALA 191 Cb 0.08 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 2x91 h ALA 191 CO -0.13 -0.35 0.43 0.00 0.00 0.00 0.00 179.25 179.21 2x91 h ALA 192 N 1.08 0.85 -0.09 0.00 0.00 -1.04 -2.45 119.26 117.60 2x91 h ALA 192 Ca 0.07 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 2x91 h ALA 192 Cb 0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2x91 h ALA 192 CO -0.04 0.22 -0.36 0.87 0.00 0.00 0.00 179.25 179.94 2x91 h LYS 193 N 0.86 0.19 0.00 0.00 1.57 -1.14 -0.74 116.57 117.30 2x91 h LYS 193 Ca 0.25 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2x91 h LYS 193 Cb -0.04 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 2x91 h LYS 193 CO -0.08 0.53 -0.02 -0.07 -0.57 0.00 0.00 179.45 179.24 2x91 h LEU 194 N 0.17 0.00 -1.65 2.94 3.38 -0.90 -0.21 115.31 119.04 2x91 h LEU 194 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2x91 h LEU 194 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2x91 h LEU 194 CO 0.05 0.02 0.00 0.59 0.09 0.00 0.00 178.44 179.20 2x91 n ASN 195 N -3.14 2.47 -1.40 -0.43 3.02 -0.64 -4.96 115.26 110.19 2x91 n ASN 195 Ca 0.00 -1.85 -0.16 0.00 -0.03 0.00 0.00 54.58 52.54 2x91 n ASN 195 Cb 0.29 -0.17 -0.05 0.00 -0.61 0.00 0.00 39.78 39.24 2x91 n ASN 195 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2x91 n ASN 196 N 0.85 -4.87 -4.88 6.41 3.02 -0.09 -5.03 115.26 110.68 2x91 n ASN 196 Ca 0.17 0.27 -0.30 0.00 -0.03 0.00 0.00 54.58 54.69 2x91 n ASN 196 Cb 0.45 -3.83 -0.03 0.00 -0.61 0.00 0.00 39.78 35.76 2x91 n ASN 196 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2x91 s PHE 197 N -2.65 3.48 0.19 3.10 0.08 -0.38 -4.98 117.98 116.82 2x91 s PHE 197 Ca 0.00 1.02 -0.07 0.00 0.12 0.00 0.00 56.93 58.00 2x91 s PHE 197 Cb 0.00 -2.43 0.11 0.00 -0.57 0.00 0.00 43.02 40.14 2x91 s PHE 197 CO 0.00 -0.12 1.64 1.15 -0.10 0.00 0.00 175.22 177.79 2x91 h THR 198 N 1.02 1.26 -2.96 0.64 2.02 -1.95 -3.22 112.91 109.73 2x91 h THR 198 Ca -0.47 -1.21 -0.01 0.00 0.77 0.00 0.00 66.41 65.49 2x91 h THR 198 Cb 1.19 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 2x91 h THR 198 CO 0.64 0.43 0.31 -0.94 0.37 0.00 0.00 175.52 176.32 2x91 s SER 199 N -6.64 0.03 0.60 4.18 1.04 -1.26 -4.74 113.70 106.91 2x91 s SER 199 Ca -0.11 -1.16 0.36 0.00 0.48 0.00 0.00 55.95 55.52 2x91 s SER 199 Cb 0.13 0.83 1.94 0.00 0.10 0.00 0.00 66.02 69.02 2x91 s SER 199 CO 0.85 -1.66 2.23 1.23 0.98 0.00 0.00 173.24 176.87 2x91 h GLY 200 N 2.00 0.00 0.88 7.32 0.00 -1.81 -2.42 103.07 109.04 2x91 h GLY 200 Ca -0.33 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 2x91 h GLY 200 CO 0.42 0.00 0.05 0.00 0.00 0.00 0.00 176.54 177.01 2x91 h ALA 201 N 1.97 0.14 -0.39 3.60 0.00 -1.90 -1.28 119.26 121.40 2x91 h ALA 201 Ca -0.00 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 2x91 h ALA 201 Cb 0.15 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2x91 h ALA 201 CO 0.00 -0.28 -0.17 0.93 0.00 0.00 0.00 179.25 179.73 2x91 h GLU 202 N 0.03 0.72 -0.29 0.00 3.07 -1.85 -1.09 114.58 115.17 2x91 h GLU 202 Ca 0.04 -0.26 0.02 0.00 -0.50 0.00 0.00 59.36 58.66 2x91 h GLU 202 Cb 0.15 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 27.99 2x91 h GLU 202 CO -0.00 0.84 0.15 0.00 -1.40 0.00 0.00 179.01 178.60 2x91 h ALA 203 N 1.18 0.35 -0.31 3.43 0.00 -1.30 -1.58 119.26 121.03 2x91 h ALA 203 Ca 0.10 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2x91 h ALA 203 Cb 0.64 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2x91 h ALA 203 CO 0.04 -0.24 0.12 -1.49 0.00 0.00 0.00 179.25 177.69 2x91 h TRP 204 N 0.31 0.48 0.00 0.00 6.55 -1.05 -3.07 115.95 119.17 2x91 h TRP 204 Ca 0.12 -0.04 -0.02 0.00 0.95 0.00 0.00 58.89 59.90 2x91 h TRP 204 Cb 0.03 -0.14 -0.00 0.00 -0.86 0.00 0.00 29.16 28.18 2x91 h TRP 204 CO -0.09 0.47 -0.09 -0.07 -1.05 0.00 0.00 178.44 177.61 2x91 h LEU 205 N 0.35 0.00 -1.95 -4.49 3.38 -0.99 -2.39 115.31 109.22 2x91 h LEU 205 Ca 0.10 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.11 2x91 h LEU 205 Cb 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2x91 h LEU 205 CO -0.01 0.09 0.13 -0.78 0.09 0.00 0.00 178.44 177.96 2x91 h ASP 206 N 0.00 0.06 0.00 -0.43 3.58 -1.18 -1.72 116.42 116.72 2x91 h ASP 206 Ca -0.00 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2x91 h ASP 206 Cb 0.26 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.30 2x91 h ASP 206 CO 0.01 0.04 0.00 -0.33 -2.88 0.00 0.00 179.24 176.08 2x91 h GLU 207 N 0.06 0.00 -0.01 0.28 4.39 -1.57 -2.10 114.58 115.63 2x91 h GLU 207 Ca 0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.79 2x91 h GLU 207 Cb 0.26 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 2x91 h GLU 207 CO -0.01 0.00 -0.29 0.66 -1.16 0.00 0.00 179.01 178.21 2x91 n TYR 208 N -3.04 0.00 -4.06 4.33 4.01 -0.64 -4.61 117.16 113.14 2x91 n TYR 208 Ca -0.03 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.42 2x91 n TYR 208 Cb 0.07 -0.05 -0.04 0.00 -0.31 0.00 0.00 39.34 39.02 2x91 n TYR 208 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2x91 n GLU 209 N -0.09 -2.10 -3.19 -0.72 1.02 -0.79 -4.91 120.64 109.86 2x91 n GLU 209 Ca 0.12 0.28 0.04 0.00 -0.02 0.00 0.00 57.16 57.58 2x91 n GLU 209 Cb 0.43 -4.01 -0.01 0.00 -0.02 0.00 0.00 31.44 27.82 2x91 n GLU 209 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2x91 s ASP 210 N -4.24 -1.12 0.00 1.62 3.68 -1.26 -5.01 116.67 110.34 2x91 s ASP 210 Ca 0.08 0.78 0.16 0.00 2.13 0.00 0.00 52.55 55.70 2x91 s ASP 210 Cb -0.04 1.97 0.74 0.00 -1.45 0.00 0.00 42.92 44.15 2x91 s ASP 210 CO 0.93 -0.21 1.46 -0.90 0.13 0.00 0.00 175.17 176.58 2x91 n ASP 211 N 5.43 0.00 -0.93 -0.34 5.75 -1.26 -1.90 116.55 123.29 2x91 n ASP 211 Ca -0.03 0.22 0.07 0.00 -0.01 0.00 0.00 54.79 55.05 2x91 n ASP 211 Cb 0.52 -0.37 0.24 0.00 -1.03 0.00 0.00 41.12 40.48 2x91 n ASP 211 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2x91 n THR 212 N -1.37 1.68 -0.27 2.12 -2.24 -1.26 -4.77 114.28 108.18 2x91 n THR 212 Ca 0.06 -1.39 -0.04 0.00 -2.27 0.00 0.00 64.05 60.41 2x91 n THR 212 Cb 0.14 0.13 0.07 0.00 -2.10 0.00 0.00 70.33 68.57 2x91 n THR 212 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2x91 h PHE 213 N 2.34 0.94 -0.20 4.78 3.57 -1.79 -1.32 116.94 125.26 2x91 h PHE 213 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2x91 h PHE 213 Cb 1.16 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.57 2x91 h PHE 213 CO 0.45 0.58 0.13 0.93 -2.23 0.00 0.00 178.31 178.17 2x91 h GLU 214 N 1.01 0.27 -0.72 1.11 5.08 -1.86 -2.26 114.58 117.22 2x91 h GLU 214 Ca 0.28 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.59 2x91 h GLU 214 Cb -0.10 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 2x91 h GLU 214 CO -0.07 0.19 0.33 0.37 -1.00 0.00 0.00 179.01 178.84 2x91 h GLN 215 N 0.27 1.03 -0.61 2.33 5.75 -1.82 -1.09 115.11 120.97 2x91 h GLN 215 Ca 0.07 -0.15 0.03 0.00 -0.15 0.00 0.00 58.65 58.46 2x91 h GLN 215 Cb -0.02 -0.19 -0.04 0.00 1.07 0.00 0.00 27.48 28.30 2x91 h GLN 215 CO -0.02 0.80 0.37 1.96 -2.65 0.00 0.00 178.83 179.29 2x91 h GLN 216 N 1.02 0.69 -0.31 1.69 4.20 -0.98 -0.58 115.11 120.85 2x91 h GLN 216 Ca 0.25 -0.04 -0.17 0.00 0.06 0.00 0.00 58.65 58.75 2x91 h GLN 216 Cb 0.12 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 27.74 2x91 h GLN 216 CO -0.03 0.46 -0.47 -0.07 -0.67 0.00 0.00 178.83 178.04 2x91 h LEU 217 N 0.71 0.91 -0.73 1.46 3.38 -0.99 -1.67 115.31 118.39 2x91 h LEU 217 Ca 0.25 -0.45 0.05 0.00 0.09 0.00 0.00 57.88 57.81 2x91 h LEU 217 Cb 0.06 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 2x91 h LEU 217 CO -0.12 1.23 0.45 -0.33 0.09 0.00 0.00 178.44 179.76 2x91 h GLU 218 N 0.66 0.82 -0.25 1.13 4.39 -0.94 0.87 114.58 121.26 2x91 h GLU 218 Ca 0.03 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 2x91 h GLU 218 Cb 1.06 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.51 2x91 h GLU 218 CO 0.11 0.54 0.09 -0.44 -1.16 0.00 0.00 179.01 178.15 2x91 h ASP 219 N 0.84 0.36 -0.24 1.42 3.32 -0.91 -1.18 116.42 120.03 2x91 h ASP 219 Ca 0.31 -0.19 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 2x91 h ASP 219 Cb 0.10 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 2x91 h ASP 219 CO -0.14 0.45 0.03 0.40 -1.72 0.00 0.00 179.24 178.26 2x91 h ILE 220 N 0.25 1.23 -0.60 0.35 2.04 -1.12 -2.75 117.51 116.91 2x91 h ILE 220 Ca 0.08 -0.79 0.04 0.00 1.00 0.00 0.00 64.86 65.19 2x91 h ILE 220 Cb 0.21 1.29 -0.05 0.00 -0.74 0.00 0.00 36.82 37.54 2x91 h ILE 220 CO -0.00 0.25 0.34 0.15 0.00 0.00 0.00 178.15 178.88 2x91 h PHE 221 N 0.20 0.63 -0.56 1.37 3.57 -0.77 -1.90 116.94 119.48 2x91 h PHE 221 Ca 0.07 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.66 2x91 h PHE 221 Cb 0.34 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.86 2x91 h PHE 221 CO 0.02 0.32 0.38 0.00 -2.23 0.00 0.00 178.31 176.80 2x91 h ALA 222 N 1.30 1.87 -0.12 2.41 0.00 -1.12 0.21 119.26 123.80 2x91 h ALA 222 Ca 0.26 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 2x91 h ALA 222 Cb 0.11 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2x91 h ALA 222 CO -0.14 0.03 -0.50 -0.44 0.00 0.00 0.00 179.25 178.20 2x91 h ASP 223 N 0.51 0.34 0.59 0.00 3.32 -1.05 -3.29 116.42 116.85 2x91 h ASP 223 Ca 0.25 -0.17 -0.06 0.00 0.02 0.00 0.00 57.03 57.07 2x91 h ASP 223 Cb 0.31 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 2x91 h ASP 223 CO -0.07 0.79 -1.46 -0.38 -1.72 0.00 0.00 179.24 176.40 2x91 n ILE 224 N -3.96 0.61 -0.27 0.35 2.08 -0.76 -4.42 119.36 112.98 2x91 n ILE 224 Ca -0.02 -0.58 0.07 0.00 0.56 0.00 0.00 62.75 62.78 2x91 n ILE 224 Cb 0.55 -0.33 0.22 0.00 -0.75 0.00 0.00 39.64 39.32 2x91 n ILE 224 CO 0.00 0.00 0.00 -0.09 0.56 0.00 0.00 176.55 177.02 2x91 h ARG 225 N 0.00 0.46 -0.95 0.38 2.43 -0.69 -1.73 114.38 114.29 2x91 h ARG 225 Ca -0.07 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.13 2x91 h ARG 225 Cb 1.20 -0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 30.59 2x91 h ARG 225 CO 0.01 0.31 0.62 -1.35 -1.51 0.00 0.00 179.97 178.04 2x91 h PRO 226 N 0.48 1.08 -0.70 0.20 0.11 -1.77 -0.59 132.00 130.81 2x91 h PRO 226 Ca 0.45 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 66.44 2x91 h PRO 226 Cb 0.71 -0.24 -0.03 0.00 0.11 0.00 0.00 31.00 31.54 2x91 h PRO 226 CO -0.42 0.72 0.23 1.25 -0.21 0.00 0.00 178.00 179.57 2x91 h LEU 227 N 1.12 1.01 -0.79 2.35 5.85 -1.61 -2.52 115.31 120.72 2x91 h LEU 227 Ca 0.40 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.93 2x91 h LEU 227 Cb 0.14 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 2x91 h LEU 227 CO -0.15 0.94 0.52 0.22 -0.34 0.00 0.00 178.44 179.64 2x91 h TYR 228 N 1.03 0.99 -0.97 1.25 3.20 -0.90 -1.96 116.97 119.61 2x91 h TYR 228 Ca 0.23 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.17 2x91 h TYR 228 Cb 0.28 -0.34 -0.06 0.00 1.54 0.00 0.00 36.73 38.16 2x91 h TYR 228 CO 0.02 0.62 0.63 1.96 -1.64 0.00 0.00 178.16 179.76 2x91 h GLN 229 N 1.07 1.15 -0.47 1.82 1.08 -0.87 0.38 115.11 119.28 2x91 h GLN 229 Ca 0.29 -0.07 -0.11 0.00 -1.45 0.00 0.00 58.65 57.31 2x91 h GLN 229 Cb -0.12 -0.26 -0.01 0.00 -0.05 0.00 0.00 27.48 27.03 2x91 h GLN 229 CO -0.06 0.76 -0.14 1.96 -0.95 0.00 0.00 178.83 180.40 2x91 h GLN 230 N 1.19 0.92 -0.11 1.46 1.08 -1.03 -1.31 115.11 117.31 2x91 h GLN 230 Ca 0.39 -0.37 -0.02 0.00 -1.45 0.00 0.00 58.65 57.21 2x91 h GLN 230 Cb 0.06 -0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.44 2x91 h GLN 230 CO -0.13 1.02 -0.00 0.82 -0.95 0.00 0.00 178.83 179.59 2x91 h ILE 231 N 0.77 1.25 -0.27 2.54 2.04 -0.90 -1.93 117.51 121.01 2x91 h ILE 231 Ca 0.12 -0.82 0.06 0.00 1.00 0.00 0.00 64.86 65.22 2x91 h ILE 231 Cb 0.70 1.57 -0.06 0.00 -0.74 0.00 0.00 36.82 38.29 2x91 h ILE 231 CO 0.05 0.23 -0.15 -0.74 0.00 0.00 0.00 178.15 177.55 2x91 h HIS 232 N -0.07 -0.37 -0.43 1.37 2.76 -0.91 -0.62 115.15 116.88 2x91 h HIS 232 Ca 0.03 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.25 2x91 h HIS 232 Cb 0.36 0.20 -0.03 0.00 1.55 0.00 0.00 27.41 29.50 2x91 h HIS 232 CO 0.03 -0.22 0.26 0.78 -1.30 0.00 0.00 177.93 177.49 2x91 h GLY 233 N -0.12 0.60 1.01 5.26 0.00 -1.18 -1.09 103.07 107.55 2x91 h GLY 233 Ca 0.14 -0.20 -0.06 0.00 0.00 0.00 0.00 47.33 47.21 2x91 h GLY 233 CO -0.34 0.18 0.11 -1.82 0.00 0.00 0.00 176.54 174.67 2x91 h TYR 234 N 0.53 0.97 -0.42 5.60 5.03 -1.14 -1.55 116.97 126.00 2x91 h TYR 234 Ca 0.17 -0.13 -0.01 0.00 2.58 0.00 0.00 58.73 61.34 2x91 h TYR 234 Cb -0.01 -0.27 -0.02 0.00 1.55 0.00 0.00 36.73 37.98 2x91 h TYR 234 CO -0.06 0.85 0.21 0.28 -1.32 0.00 0.00 178.16 178.11 2x91 h VAL 235 N 0.82 1.17 -0.48 1.81 2.07 -0.87 -1.37 116.25 119.41 2x91 h VAL 235 Ca 0.17 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.22 2x91 h VAL 235 Cb 0.38 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 2x91 h VAL 235 CO 0.01 0.18 0.32 -0.09 0.02 0.00 0.00 177.57 178.01 2x91 h ARG 236 N 0.54 0.63 -0.41 1.57 2.43 -1.11 0.12 114.38 118.15 2x91 h ARG 236 Ca 0.14 -0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.35 2x91 h ARG 236 Cb 0.10 -0.14 -0.07 0.00 -0.42 0.00 0.00 29.97 29.45 2x91 h ARG 236 CO -0.02 0.42 0.01 0.35 -1.51 0.00 0.00 179.97 179.22 2x91 h PHE 237 N 0.65 -0.00 -0.26 2.20 3.57 -1.10 -1.35 116.94 120.65 2x91 h PHE 237 Ca 0.18 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.57 2x91 h PHE 237 Cb -0.08 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 2x91 h PHE 237 CO -0.04 -0.07 -0.38 0.00 -2.23 0.00 0.00 178.31 175.59 2x91 h ARG 238 N 0.12 0.59 -0.16 1.11 2.47 -0.73 -2.91 114.38 114.87 2x91 h ARG 238 Ca 0.20 -0.29 -0.08 0.00 -1.26 0.00 0.00 59.98 58.55 2x91 h ARG 238 Cb 0.28 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.59 2x91 h ARG 238 CO -0.33 0.88 -0.26 -0.07 0.56 0.00 0.00 179.97 180.75 2x91 h LEU 239 N 0.49 0.29 -0.96 3.04 3.38 -0.51 -2.73 115.31 118.31 2x91 h LEU 239 Ca 0.05 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 2x91 h LEU 239 Cb 0.88 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 2x91 h LEU 239 CO 0.08 0.56 0.25 0.03 0.09 0.00 0.00 178.44 179.45 2x91 h ARG 240 N 0.27 1.00 -0.18 1.13 3.08 -1.06 0.12 114.38 118.74 2x91 h ARG 240 Ca 0.04 -0.18 -0.09 0.00 0.07 0.00 0.00 59.98 59.83 2x91 h ARG 240 Cb 0.61 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 2x91 h ARG 240 CO 0.04 0.83 -0.28 0.87 -1.07 0.00 0.00 179.97 180.37 2x91 h LYS 241 N 0.98 0.34 0.00 0.04 1.57 -1.37 0.69 116.57 118.82 2x91 h LYS 241 Ca 0.23 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2x91 h LYS 241 Cb 0.21 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.50 2x91 h LYS 241 CO -0.02 0.60 -0.00 1.25 -0.57 0.00 0.00 179.45 180.71 2x91 h HIS 242 N 0.30 -0.00 0.00 -1.35 2.76 -1.17 -3.40 115.15 112.29 2x91 h HIS 242 Ca 0.04 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 2x91 h HIS 242 Cb 0.65 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.61 2x91 h HIS 242 CO 0.02 0.69 -1.33 0.66 -1.30 0.00 0.00 177.93 176.67 2x91 n TYR 243 N -4.66 0.58 0.00 5.26 4.01 0.38 -5.09 117.16 117.63 2x91 n TYR 243 Ca -0.07 0.17 0.00 0.00 -0.16 0.00 0.00 57.90 57.84 2x91 n TYR 243 Cb 0.33 -0.76 0.00 0.00 -0.31 0.00 0.00 39.34 38.61 2x91 n TYR 243 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2x91 n GLY 244 N 1.23 -0.48 0.03 2.72 0.00 0.24 -4.52 105.19 104.41 2x91 n GLY 244 Ca -0.01 -1.66 0.10 0.00 0.00 0.00 0.00 46.02 44.45 2x91 n GLY 244 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2x91 n ASP 245 N -1.16 0.19 0.23 1.61 9.92 -1.26 -2.24 116.55 123.84 2x91 n ASP 245 Ca 0.00 0.53 0.11 0.00 -0.53 0.00 0.00 54.79 54.90 2x91 n ASP 245 Cb 0.00 -0.58 0.51 0.00 -0.64 0.00 0.00 41.12 40.41 2x91 n ASP 245 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2x91 h ALA 246 N 2.61 1.04 0.00 2.24 0.00 -1.95 -3.33 119.26 119.85 2x91 h ALA 246 Ca 0.00 -0.17 -0.30 0.00 0.00 0.00 0.00 54.91 54.44 2x91 h ALA 246 Cb 0.39 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 2x91 h ALA 246 CO 0.00 0.24 -2.13 0.28 0.00 0.00 0.00 179.25 177.63 2x91 n VAL 247 N -3.37 1.14 -3.96 0.00 0.31 -0.98 -4.95 118.33 106.52 2x91 n VAL 247 Ca 0.00 -0.49 -0.29 0.00 -0.01 0.00 0.00 64.34 63.55 2x91 n VAL 247 Cb 0.40 -1.08 -0.16 0.00 -0.91 0.00 0.00 33.84 32.08 2x91 n VAL 247 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2x91 s VAL 248 N -2.40 1.36 0.47 2.52 1.01 -0.95 -4.81 120.40 117.60 2x91 s VAL 248 Ca -0.23 -0.62 -0.13 0.00 0.00 0.00 0.00 61.98 61.00 2x91 s VAL 248 Cb 0.06 -1.38 -0.07 0.00 0.00 0.00 0.00 36.38 35.00 2x91 s VAL 248 CO 0.50 0.31 0.89 -0.94 0.00 0.00 0.00 175.10 175.86 2x91 s SER 249 N 1.55 6.55 0.25 3.32 1.04 -1.26 -4.25 113.70 120.89 2x91 s SER 249 Ca 0.03 1.35 0.01 0.00 0.48 0.00 0.00 55.95 57.82 2x91 s SER 249 Cb -0.14 -2.42 0.30 0.00 0.10 0.00 0.00 66.02 63.86 2x91 s SER 249 CO -0.09 -0.52 1.63 -0.08 0.98 0.00 0.00 173.24 175.16 2x91 h GLU 250 N 0.98 0.45 -0.00 4.02 4.81 -1.94 -3.35 114.58 119.54 2x91 h GLU 250 Ca -0.47 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 58.54 2x91 h GLU 250 Cb 1.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.57 2x91 h GLU 250 CO 0.63 0.78 -0.37 0.25 -0.73 0.00 0.00 179.01 179.56 2x91 n THR 251 N -4.03 0.00 -2.78 0.32 -2.24 -1.26 -4.85 114.28 99.45 2x91 n THR 251 Ca -0.02 -0.31 -0.20 0.00 -2.27 0.00 0.00 64.05 61.25 2x91 n THR 251 Cb 0.50 1.03 0.03 0.00 -2.10 0.00 0.00 70.33 69.79 2x91 n THR 251 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2x91 s GLY 252 N -1.73 1.82 0.59 3.38 0.00 -1.26 -1.22 107.32 108.90 2x91 s GLY 252 Ca 0.05 -1.37 -0.20 0.00 0.00 0.00 0.00 44.72 43.20 2x91 s GLY 252 CO 0.34 -1.13 1.33 -4.14 0.00 0.00 0.00 173.10 169.50 2x91 s PRO 253 N -4.64 2.87 0.09 2.90 0.02 -1.26 -4.79 135.00 130.20 2x91 s PRO 253 Ca 0.55 2.15 -0.31 0.00 0.02 0.00 0.00 61.00 63.41 2x91 s PRO 253 Cb -0.10 -2.06 -0.07 0.00 0.02 0.00 0.00 34.50 32.29 2x91 s PRO 253 CO 0.37 -1.37 1.33 0.42 -0.33 0.00 0.00 177.00 177.42 2x91 s ILE 254 N -1.35 3.57 -0.07 2.83 1.01 -0.44 -4.74 121.20 122.01 2x91 s ILE 254 Ca 0.77 1.12 -0.29 0.00 0.00 0.00 0.00 60.65 62.24 2x91 s ILE 254 Cb -0.39 -3.72 -0.07 0.00 0.01 0.00 0.00 42.46 38.30 2x91 s ILE 254 CO 0.44 0.08 1.98 -2.84 0.00 0.00 0.00 174.94 174.60 2x91 s PRO 255 N 1.19 3.83 0.47 2.79 0.02 -1.26 -1.80 135.00 140.23 2x91 s PRO 255 Ca 0.63 2.32 0.24 0.00 0.02 0.00 0.00 61.00 64.21 2x91 s PRO 255 Cb -0.34 -4.20 1.14 0.00 0.02 0.00 0.00 34.50 31.12 2x91 s PRO 255 CO 0.30 -1.30 1.93 0.00 -0.33 0.00 0.00 177.00 177.59 2x91 h MET 256 N 11.78 0.00 0.00 5.54 -0.00 -1.37 -2.67 114.93 128.21 2x91 h MET 256 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.25 2x91 h MET 256 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.83 2x91 h MET 256 CO 0.95 0.20 0.00 -2.39 -0.00 0.00 0.00 176.91 175.67 2x91 n HIS 257 N -3.56 0.00 1.06 -0.10 1.44 -1.26 -2.08 115.22 110.72 2x91 n HIS 257 Ca -0.01 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.82 2x91 n HIS 257 Cb 0.35 -0.45 0.32 0.00 0.12 0.00 0.00 29.99 30.32 2x91 n HIS 257 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2x91 n LEU 258 N -1.45 2.32 -1.15 2.39 4.77 -1.01 -4.40 117.00 118.47 2x91 n LEU 258 Ca 0.03 -0.88 0.12 0.00 -0.03 0.00 0.00 56.01 55.25 2x91 n LEU 258 Cb 0.12 -0.08 0.21 0.00 -2.33 0.00 0.00 43.42 41.34 2x91 n LEU 258 CO 0.10 0.44 0.70 0.18 -1.33 0.00 0.00 177.39 177.48 2x91 n LEU 259 N 0.78 3.47 0.00 2.23 4.77 -0.88 -4.96 117.00 122.40 2x91 n LEU 259 Ca 0.17 -1.49 0.00 0.00 -0.03 0.00 0.00 56.01 54.66 2x91 n LEU 259 Cb 0.46 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 2x91 n LEU 259 CO 0.15 0.74 0.00 0.61 -1.33 0.00 0.00 177.39 177.56 2x91 n GLY 260 N 1.50 0.71 3.12 -0.72 0.00 -1.26 -4.39 105.19 104.14 2x91 n GLY 260 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 2x91 n GLY 260 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2x91 s ASN 261 N -2.36 -0.27 0.59 1.61 3.84 -1.26 -3.92 114.94 113.17 2x91 s ASN 261 Ca 0.00 0.52 0.29 0.00 0.21 0.00 0.00 52.86 53.88 2x91 s ASN 261 Cb 0.00 0.49 1.69 0.00 -0.55 0.00 0.00 41.25 42.88 2x91 s ASN 261 CO 0.00 -0.11 2.14 -0.03 -2.79 0.00 0.00 177.10 176.31 2x91 h MET 262 N 6.20 0.00 -0.05 0.43 1.85 -1.93 -1.52 114.93 119.91 2x91 h MET 262 Ca -0.30 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.79 2x91 h MET 262 Cb 1.18 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.21 2x91 h MET 262 CO 0.36 0.00 0.00 0.91 -0.40 0.00 0.00 176.91 177.78 2x91 n TRP 263 N -3.84 0.06 -3.01 1.39 8.01 -1.26 -4.98 117.44 113.81 2x91 n TRP 263 Ca 0.00 -0.19 -0.20 0.00 -1.31 0.00 0.00 57.50 55.81 2x91 n TRP 263 Cb 0.26 -0.02 0.00 0.00 -2.01 0.00 0.00 31.31 29.54 2x91 n TRP 263 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2x91 n ALA 264 N 0.08 -0.96 0.13 6.99 0.00 -0.57 -4.88 120.51 121.30 2x91 n ALA 264 Ca 0.03 0.12 0.01 0.00 0.00 0.00 0.00 53.44 53.60 2x91 n ALA 264 Cb 0.18 -2.54 0.02 0.00 0.00 0.00 0.00 19.45 17.10 2x91 n ALA 264 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2x91 h GLN 265 N -0.72 0.00 -3.01 0.00 3.07 -1.93 -3.45 115.11 109.07 2x91 h GLN 265 Ca -0.40 0.00 -0.15 0.00 0.09 0.00 0.00 58.65 58.19 2x91 h GLN 265 Cb 1.28 0.00 -0.25 0.00 0.08 0.00 0.00 27.48 28.59 2x91 h GLN 265 CO 0.48 0.57 -0.37 -0.65 0.09 0.00 0.00 178.83 178.95 2x91 s GLN 266 N -2.95 0.35 -0.04 0.06 -0.21 -1.26 -3.30 119.66 112.31 2x91 s GLN 266 Ca 0.03 0.42 0.11 0.00 0.02 0.00 0.00 55.36 55.95 2x91 s GLN 266 Cb 0.08 0.17 0.34 0.00 1.00 0.00 0.00 33.01 34.59 2x91 s GLN 266 CO 0.75 -0.04 1.27 0.91 -2.12 0.00 0.00 175.29 176.07 2x91 n TRP 267 N 2.92 0.53 0.27 0.91 8.01 -0.01 -4.44 117.44 125.64 2x91 n TRP 267 Ca -0.13 -0.59 0.14 0.00 -1.31 0.00 0.00 57.50 55.61 2x91 n TRP 267 Cb 0.58 -0.09 0.85 0.00 -2.01 0.00 0.00 31.31 30.64 2x91 n TRP 267 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 2x91 h SER 268 N 1.82 0.00 0.69 -0.99 4.64 -1.83 -2.17 113.55 115.70 2x91 h SER 268 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2x91 h SER 268 Cb 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 2x91 h SER 268 CO 0.05 0.00 0.00 -0.33 -0.87 0.00 0.00 176.83 175.68 2x91 h GLU 269 N 0.00 0.00 -0.53 4.77 4.39 -1.84 -2.11 114.58 119.27 2x91 h GLU 269 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2x91 h GLU 269 Cb 0.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 2x91 h GLU 269 CO -0.00 0.00 0.00 0.44 -1.16 0.00 0.00 179.01 178.29 2x91 n ILE 270 N -2.73 1.62 -0.12 3.13 -5.35 -0.82 -4.64 119.36 110.45 2x91 n ILE 270 Ca 0.00 -1.24 0.15 0.00 -0.27 0.00 0.00 62.75 61.39 2x91 n ILE 270 Cb 0.22 0.20 0.52 0.00 -1.74 0.00 0.00 39.64 38.85 2x91 n ILE 270 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2x91 h ALA 271 N 3.27 2.12 0.00 -1.28 0.00 -1.49 -1.65 119.26 120.22 2x91 h ALA 271 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2x91 h ALA 271 Cb 1.23 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 2x91 h ALA 271 CO 0.15 -0.29 -0.02 0.38 0.00 0.00 0.00 179.25 179.47 2x91 h ASP 272 N 0.37 0.00 -0.01 0.00 2.03 -1.83 -0.94 116.42 116.03 2x91 h ASP 272 Ca 0.32 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.62 2x91 h ASP 272 Cb 0.76 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.26 2x91 h ASP 272 CO -0.09 0.02 -0.25 2.30 -1.03 0.00 0.00 179.24 180.19 2x91 n ILE 273 N -3.22 0.00 -0.20 4.15 -5.35 -0.64 -4.59 119.36 109.51 2x91 n ILE 273 Ca -0.02 -0.38 0.00 0.00 -0.27 0.00 0.00 62.75 62.08 2x91 n ILE 273 Cb 0.15 1.12 0.00 0.00 -1.74 0.00 0.00 39.64 39.16 2x91 n ILE 273 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 2x91 n VAL 274 N -0.32 0.47 -2.08 7.28 0.24 -1.07 -4.77 118.33 118.08 2x91 n VAL 274 Ca 0.04 -0.64 -0.41 0.00 -2.04 0.00 0.00 64.34 61.29 2x91 n VAL 274 Cb 0.22 0.84 -0.03 0.00 -1.47 0.00 0.00 33.84 33.41 2x91 n VAL 274 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2x91 s SER 275 N -0.47 6.74 0.27 -1.34 1.04 -0.38 -4.92 113.70 114.63 2x91 s SER 275 Ca 0.00 2.54 -0.01 0.00 0.48 0.00 0.00 55.95 58.96 2x91 s SER 275 Cb 0.00 -2.61 0.58 0.00 0.10 0.00 0.00 66.02 64.09 2x91 s SER 275 CO 0.00 -0.65 1.69 -0.65 0.98 0.00 0.00 173.24 174.61 2x91 h PRO 276 N 5.49 0.33 -2.98 4.02 0.11 -1.91 -3.32 132.00 133.74 2x91 h PRO 276 Ca -0.45 -0.02 -0.61 0.00 0.11 0.00 0.00 66.00 65.03 2x91 h PRO 276 Cb 1.21 -0.07 -0.40 0.00 0.11 0.00 0.00 31.00 31.85 2x91 h PRO 276 CO 0.80 0.22 -0.72 -0.06 -0.21 0.00 0.00 178.00 178.03 2x91 s PHE 277 N -5.97 2.35 -0.24 0.65 0.08 -1.26 -4.99 117.98 108.60 2x91 s PHE 277 Ca -0.12 -2.70 0.27 0.00 0.12 0.00 0.00 56.93 54.50 2x91 s PHE 277 Cb 0.23 -2.06 1.19 0.00 -0.57 0.00 0.00 43.02 41.81 2x91 s PHE 277 CO 0.77 -0.73 1.81 -1.35 -0.10 0.00 0.00 175.22 175.61 2x91 h PRO 278 N 6.29 0.00 -0.01 0.24 0.11 -1.97 -1.47 132.00 135.19 2x91 h PRO 278 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 2x91 h PRO 278 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 2x91 h PRO 278 CO 0.54 0.00 -0.24 0.39 -0.21 0.00 0.00 178.00 178.48 2x91 n GLU 279 N -2.48 0.81 -4.17 1.05 1.02 -1.26 -4.90 120.64 110.71 2x91 n GLU 279 Ca 0.01 -0.46 -0.22 0.00 -0.02 0.00 0.00 57.16 56.47 2x91 n GLU 279 Cb 0.21 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 30.08 2x91 n GLU 279 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2x91 s LYS 280 N -2.50 2.66 0.37 3.49 -0.14 -0.56 -5.08 119.74 117.98 2x91 s LYS 280 Ca 0.25 -1.22 -0.28 0.00 -1.36 0.00 0.00 55.97 53.35 2x91 s LYS 280 Cb 0.19 -2.39 -0.11 0.00 -1.68 0.00 0.00 37.83 33.84 2x91 s LYS 280 CO 0.52 0.36 1.48 -1.25 -0.76 0.00 0.00 175.35 175.70 2x91 s PRO 281 N -3.79 4.13 -0.11 -1.68 0.04 -1.26 -4.94 135.00 127.38 2x91 s PRO 281 Ca 0.33 2.55 0.01 0.00 0.04 0.00 0.00 61.00 63.93 2x91 s PRO 281 Cb -0.07 -2.98 0.02 0.00 0.04 0.00 0.00 34.50 31.51 2x91 s PRO 281 CO 0.23 -0.52 -0.13 -1.17 0.04 0.00 0.00 177.00 175.45 2x91 s LEU 282 N -1.93 1.61 -0.14 -3.56 2.96 -1.26 -4.77 118.68 111.59 2x91 s LEU 282 Ca 0.53 -0.41 -0.29 0.00 -0.22 0.00 0.00 54.13 53.74 2x91 s LEU 282 Cb -0.46 -1.04 -0.03 0.00 0.50 0.00 0.00 46.19 45.16 2x91 s LEU 282 CO 0.61 -0.02 1.44 -0.69 -1.32 0.00 0.00 176.35 176.37 2x91 s VAL 283 N 1.20 3.96 -0.33 1.68 1.01 -1.26 -4.95 120.40 121.71 2x91 s VAL 283 Ca -0.03 1.15 0.03 0.00 0.00 0.00 0.00 61.98 63.13 2x91 s VAL 283 Cb -0.14 -3.78 0.16 0.00 0.00 0.00 0.00 36.38 32.61 2x91 s VAL 283 CO -0.04 -0.15 0.39 -0.62 0.00 0.00 0.00 175.10 174.68 2x91 s ASP 284 N 2.75 0.78 0.00 3.32 3.68 -1.26 -5.04 116.67 120.90 2x91 s ASP 284 Ca 0.63 -0.97 0.23 0.00 2.13 0.00 0.00 52.55 54.57 2x91 s ASP 284 Cb -0.26 0.85 0.77 0.00 -1.45 0.00 0.00 42.92 42.83 2x91 s ASP 284 CO 0.22 -0.31 1.57 1.33 0.13 0.00 0.00 175.17 178.11 2x91 n VAL 285 N 4.82 0.18 -0.17 1.11 0.24 -1.26 -4.36 118.33 118.89 2x91 n VAL 285 Ca 0.05 -0.36 -0.02 0.00 -2.04 0.00 0.00 64.34 61.97 2x91 n VAL 285 Cb 0.48 0.48 0.08 0.00 -1.47 0.00 0.00 33.84 33.41 2x91 n VAL 285 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2x91 h SER 286 N 2.50 0.11 -0.54 -1.34 0.02 -1.91 -0.60 113.55 111.78 2x91 h SER 286 Ca 0.00 0.08 -0.04 0.00 -0.84 0.00 0.00 61.79 60.99 2x91 h SER 286 Cb 0.54 0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.15 2x91 h SER 286 CO 0.00 0.08 0.20 0.00 -1.14 0.00 0.00 176.83 175.97 2x91 h ALA 287 N 1.39 0.71 -0.29 3.77 0.00 -1.91 -2.20 119.26 120.72 2x91 h ALA 287 Ca 0.27 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 2x91 h ALA 287 Cb 0.33 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2x91 h ALA 287 CO -0.30 0.34 -0.20 0.93 0.00 0.00 0.00 179.25 180.02 2x91 h GLU 288 N 0.74 0.54 -0.08 0.00 4.39 -1.74 -1.11 114.58 117.32 2x91 h GLU 288 Ca 0.18 -0.19 0.02 0.00 0.34 0.00 0.00 59.36 59.71 2x91 h GLU 288 Cb 0.23 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 2x91 h GLU 288 CO -0.01 0.71 -0.03 0.52 -1.16 0.00 0.00 179.01 179.04 2x91 h MET 289 N 0.48 -0.02 -0.32 2.33 2.86 -0.90 -1.13 114.93 118.24 2x91 h MET 289 Ca 0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 2x91 h MET 289 Cb 0.61 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.26 2x91 h MET 289 CO 0.04 -0.01 0.21 0.93 1.06 0.00 0.00 176.91 179.14 2x91 h GLU 290 N -0.02 0.42 -0.71 1.72 5.08 -1.21 -1.84 114.58 118.02 2x91 h GLU 290 Ca 0.04 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.39 2x91 h GLU 290 Cb 0.08 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 2x91 h GLU 290 CO -0.09 0.28 0.47 -0.22 -1.00 0.00 0.00 179.01 178.45 2x91 h LYS 291 N 0.43 0.90 -0.05 2.33 3.64 -1.05 -1.38 116.57 121.40 2x91 h LYS 291 Ca 0.12 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2x91 h LYS 291 Cb -0.05 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.57 2x91 h LYS 291 CO -0.03 0.60 0.00 1.04 -2.27 0.00 0.00 179.45 178.79 2x91 n GLN 292 N -4.44 1.26 -2.44 1.90 6.02 -0.44 -4.92 117.38 114.32 2x91 n GLN 292 Ca 0.08 -0.38 -0.11 0.00 -0.01 0.00 0.00 57.00 56.58 2x91 n GLN 292 Cb 0.06 -1.36 0.01 0.00 1.02 0.00 0.00 30.24 29.97 2x91 n GLN 292 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2x91 n GLY 293 N 0.94 0.03 3.70 1.08 0.00 -0.52 -5.00 105.19 105.42 2x91 n GLY 293 Ca 0.16 -0.39 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 2x91 n GLY 293 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2x91 n TYR 294 N -3.93 1.84 -4.31 1.61 0.53 -0.71 -5.05 117.16 107.15 2x91 n TYR 294 Ca -0.09 0.45 -0.17 0.00 -1.02 0.00 0.00 57.90 57.08 2x91 n TYR 294 Cb 0.57 -2.30 -0.10 0.00 -1.03 0.00 0.00 39.34 36.49 2x91 n TYR 294 CO 0.00 0.00 0.00 0.95 -1.02 0.00 0.00 176.86 176.79 2x91 s THR 295 N -1.34 1.34 0.23 -0.72 -4.23 -1.26 -4.88 115.64 104.78 2x91 s THR 295 Ca 0.72 -2.10 -0.08 0.00 -1.18 0.00 0.00 61.69 59.05 2x91 s THR 295 Cb -0.43 -2.06 0.21 0.00 1.34 0.00 0.00 72.50 71.56 2x91 s THR 295 CO 0.49 -0.58 1.68 -0.65 -0.54 0.00 0.00 174.62 175.02 2x91 h PRO 296 N 2.61 0.21 -0.38 3.99 0.11 -1.90 -1.04 132.00 135.60 2x91 h PRO 296 Ca -0.38 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.79 2x91 h PRO 296 Cb 1.21 -0.05 -0.06 0.00 0.11 0.00 0.00 31.00 32.21 2x91 h PRO 296 CO 0.64 0.14 -0.02 1.25 -0.21 0.00 0.00 178.00 179.79 2x91 h LEU 297 N 0.21 -0.21 -1.05 2.35 5.85 -1.97 -1.83 115.31 118.66 2x91 h LEU 297 Ca 0.36 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 59.17 2x91 h LEU 297 Cb 0.60 0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.77 2x91 h LEU 297 CO -0.50 -0.06 0.49 0.50 -0.34 0.00 0.00 178.44 178.52 2x91 h LYS 298 N 0.08 1.14 -0.39 1.25 1.63 -1.79 -0.85 116.57 117.63 2x91 h LYS 298 Ca 0.19 -0.11 -0.01 0.00 -0.85 0.00 0.00 60.65 59.87 2x91 h LYS 298 Cb 0.27 -0.24 -0.02 0.00 -0.60 0.00 0.00 32.23 31.65 2x91 h LYS 298 CO -0.34 0.81 0.21 0.52 -3.45 0.00 0.00 179.45 177.20 2x91 h MET 299 N 1.15 0.55 -0.43 1.90 2.86 -0.58 -0.27 114.93 120.12 2x91 h MET 299 Ca 0.30 -0.07 -0.11 0.00 -2.06 0.00 0.00 59.70 57.76 2x91 h MET 299 Cb -0.02 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.52 2x91 h MET 299 CO -0.05 0.46 -0.18 0.74 1.06 0.00 0.00 176.91 178.94 2x91 h PHE 300 N 0.50 0.92 -0.73 -0.22 0.04 -1.07 -1.94 116.94 114.45 2x91 h PHE 300 Ca 0.14 -0.20 -0.03 0.00 2.80 0.00 0.00 57.97 60.68 2x91 h PHE 300 Cb 0.08 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 37.97 2x91 h PHE 300 CO -0.02 0.93 0.34 1.96 -0.60 0.00 0.00 178.31 180.92 2x91 h GLN 301 N 0.73 1.05 -0.47 1.51 4.20 -0.94 -0.26 115.11 120.92 2x91 h GLN 301 Ca 0.11 -0.15 -0.11 0.00 0.06 0.00 0.00 58.65 58.55 2x91 h GLN 301 Cb 0.69 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.27 2x91 h GLN 301 CO 0.05 0.82 -0.15 0.52 -0.67 0.00 0.00 178.83 179.40 2x91 h MET 302 N 1.04 0.90 -0.22 1.46 2.86 -0.81 -0.08 114.93 120.09 2x91 h MET 302 Ca 0.25 -0.34 -0.02 0.00 -2.06 0.00 0.00 59.70 57.54 2x91 h MET 302 Cb 0.12 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 2x91 h MET 302 CO -0.03 0.99 0.08 0.78 1.06 0.00 0.00 176.91 179.78 2x91 h GLY 303 N 0.95 0.36 0.34 8.32 0.00 -1.03 -1.71 103.07 110.29 2x91 h GLY 303 Ca 0.12 -0.21 0.08 0.00 0.00 0.00 0.00 47.33 47.32 2x91 h GLY 303 CO 0.05 0.20 0.03 -1.80 0.00 0.00 0.00 176.54 175.02 2x91 h ASP 304 N 0.19 -0.11 -1.00 0.19 3.58 -0.90 -1.60 116.42 116.77 2x91 h ASP 304 Ca 0.07 0.09 0.11 0.00 0.42 0.00 0.00 57.03 57.73 2x91 h ASP 304 Cb 0.21 0.15 -0.08 0.00 1.72 0.00 0.00 39.33 41.34 2x91 h ASP 304 CO -0.00 -0.02 0.64 -0.78 -2.88 0.00 0.00 179.24 176.19 2x91 h ASP 305 N 0.15 0.94 -0.15 2.28 3.58 -0.82 -1.44 116.42 120.96 2x91 h ASP 305 Ca 0.22 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.70 2x91 h ASP 305 Cb 0.31 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.20 2x91 h ASP 305 CO -0.34 0.52 0.05 0.15 -2.88 0.00 0.00 179.24 176.74 2x91 h PHE 306 N 1.02 0.24 -0.10 0.28 3.57 -0.36 -0.42 116.94 121.18 2x91 h PHE 306 Ca 0.49 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.96 2x91 h PHE 306 Cb 0.44 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.11 2x91 h PHE 306 CO -0.00 0.34 0.05 0.74 -2.23 0.00 0.00 178.31 177.20 2x91 h PHE 307 N 0.07 0.14 -0.15 0.41 0.04 -1.13 -2.87 116.94 113.46 2x91 h PHE 307 Ca 0.05 -0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.77 2x91 h PHE 307 Cb 0.21 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 2x91 h PHE 307 CO -0.00 0.21 -0.08 1.79 -0.60 0.00 0.00 178.31 179.63 2x91 h THR 308 N 0.03 1.15 0.00 -1.55 1.35 -1.25 -1.39 112.91 111.26 2x91 h THR 308 Ca 0.03 -0.64 -0.02 0.00 -0.55 0.00 0.00 66.41 65.23 2x91 h THR 308 Cb 0.12 1.13 -0.00 0.00 -1.73 0.00 0.00 68.15 67.67 2x91 h THR 308 CO -0.00 0.20 -0.12 0.77 -0.25 0.00 0.00 175.52 176.12 2x91 h SER 309 N 0.22 0.00 -0.45 5.36 4.64 -0.86 -1.15 113.55 121.32 2x91 h SER 309 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2x91 h SER 309 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 2x91 h SER 309 CO 0.01 0.12 0.00 0.23 -0.87 0.00 0.00 176.83 176.32 2x91 n MET 310 N -3.72 2.24 -2.57 4.77 2.00 -0.61 -3.66 117.12 115.57 2x91 n MET 310 Ca -0.02 -1.70 -0.15 0.00 0.00 0.00 0.00 57.70 55.83 2x91 n MET 310 Cb 0.23 -1.44 0.01 0.00 0.00 0.00 0.00 33.22 32.02 2x91 n MET 310 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 2x91 n ASN 311 N 0.79 -4.67 -5.00 7.83 5.15 -0.43 -3.89 115.26 115.03 2x91 n ASN 311 Ca 0.16 -0.12 -0.21 0.00 -0.60 0.00 0.00 54.58 53.80 2x91 n ASN 311 Cb 0.45 -3.65 0.05 0.00 -0.53 0.00 0.00 39.78 36.09 2x91 n ASN 311 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2x91 s LEU 312 N -4.60 3.02 0.04 1.20 1.43 -0.71 -4.91 118.68 114.13 2x91 s LEU 312 Ca 0.12 -0.93 -0.30 0.00 -1.03 0.00 0.00 54.13 51.99 2x91 s LEU 312 Cb -0.05 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.58 2x91 s LEU 312 CO 0.15 -1.28 1.02 -0.89 0.23 0.00 0.00 176.35 175.58 2x91 s THR 313 N -2.69 4.63 0.48 5.49 2.01 -1.26 -4.09 115.64 120.21 2x91 s THR 313 Ca 0.55 1.95 -0.22 0.00 0.31 0.00 0.00 61.69 64.27 2x91 s THR 313 Cb -0.05 -4.25 -0.07 0.00 0.01 0.00 0.00 72.50 68.15 2x91 s THR 313 CO 0.35 0.18 1.20 -0.75 -0.69 0.00 0.00 174.62 174.92 2x91 s LYS 314 N 0.79 3.60 0.15 4.92 2.20 -1.26 -4.68 119.74 125.46 2x91 s LYS 314 Ca 0.52 1.86 -0.31 0.00 -0.36 0.00 0.00 55.97 57.68 2x91 s LYS 314 Cb -0.23 -2.35 -0.10 0.00 -1.51 0.00 0.00 37.83 33.64 2x91 s LYS 314 CO 0.29 -0.71 1.56 -0.51 -0.36 0.00 0.00 175.35 175.62 2x91 s LEU 315 N -3.17 4.37 0.76 5.43 1.43 -1.26 -5.00 118.68 121.24 2x91 s LEU 315 Ca 0.66 2.57 -0.11 0.00 -1.03 0.00 0.00 54.13 56.22 2x91 s LEU 315 Cb -0.31 -3.59 0.05 0.00 0.03 0.00 0.00 46.19 42.37 2x91 s LEU 315 CO 0.37 -0.81 1.10 -2.16 0.23 0.00 0.00 176.35 175.08 2x91 s PRO 316 N 1.27 2.37 0.33 1.29 0.04 -1.26 -4.96 135.00 134.08 2x91 s PRO 316 Ca 0.70 0.59 0.01 0.00 0.04 0.00 0.00 61.00 62.34 2x91 s PRO 316 Cb -0.43 -1.95 0.58 0.00 0.04 0.00 0.00 34.50 32.74 2x91 s PRO 316 CO 0.31 -1.41 1.98 0.37 0.04 0.00 0.00 177.00 178.29 2x91 h GLN 317 N -0.93 0.92 -0.87 4.56 5.75 -1.94 -1.94 115.11 120.66 2x91 h GLN 317 Ca -0.46 -0.06 0.11 0.00 -0.15 0.00 0.00 58.65 58.10 2x91 h GLN 317 Cb 1.26 -0.21 -0.06 0.00 1.07 0.00 0.00 27.48 29.54 2x91 h GLN 317 CO 0.61 0.61 0.56 -0.44 -2.65 0.00 0.00 178.83 177.52 2x91 h ASP 318 N 0.95 0.72 -0.02 -0.69 5.19 -1.91 -0.50 116.42 120.14 2x91 h ASP 318 Ca 0.29 0.03 0.01 0.00 -0.62 0.00 0.00 57.03 56.74 2x91 h ASP 318 Cb -0.01 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.36 2x91 h ASP 318 CO -0.08 0.40 -0.05 0.15 -3.12 0.00 0.00 179.24 176.55 2x91 h PHE 319 N 0.78 -0.11 -0.29 4.55 3.57 -1.39 0.22 116.94 124.26 2x91 h PHE 319 Ca 0.41 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.80 2x91 h PHE 319 Cb 0.53 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 2x91 h PHE 319 CO -0.00 -0.07 -0.30 -1.49 -2.23 0.00 0.00 178.31 174.22 2x91 h TRP 320 N -0.07 0.70 -0.16 0.41 4.06 -1.42 -1.42 115.95 118.05 2x91 h TRP 320 Ca 0.03 -0.17 -0.19 0.00 2.06 0.00 0.00 58.89 60.62 2x91 h TRP 320 Cb 0.11 -0.16 -0.00 0.00 -1.00 0.00 0.00 29.16 28.11 2x91 h TRP 320 CO -0.13 0.84 -0.65 -0.44 -3.56 0.00 0.00 178.44 174.50 2x91 h ASP 321 N 0.52 0.70 0.00 -3.49 3.32 -0.96 -3.38 116.42 113.14 2x91 h ASP 321 Ca 0.06 -0.42 0.00 0.00 0.02 0.00 0.00 57.03 56.70 2x91 h ASP 321 Cb 0.78 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.12 2x91 h ASP 321 CO 0.06 1.17 -1.39 0.29 -1.72 0.00 0.00 179.24 177.65 2x91 n LYS 322 N -3.93 0.81 -1.63 3.56 5.02 0.05 -5.01 118.16 117.04 2x91 n LYS 322 Ca -0.05 -0.09 -0.34 0.00 -2.02 0.00 0.00 58.31 55.81 2x91 n LYS 322 Cb 0.67 -1.25 0.07 0.00 -0.02 0.00 0.00 35.03 34.50 2x91 n LYS 322 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2x91 s SER 323 N -3.19 4.68 -0.27 4.39 0.01 -0.54 -4.92 113.70 113.86 2x91 s SER 323 Ca -0.03 2.20 -0.02 0.00 1.31 0.00 0.00 55.95 59.40 2x91 s SER 323 Cb 0.08 -2.57 0.03 0.00 0.21 0.00 0.00 66.02 63.77 2x91 s SER 323 CO 0.50 -1.93 -0.03 -0.63 0.41 0.00 0.00 173.24 171.56 2x91 s ILE 324 N -2.11 3.03 -0.51 1.44 1.01 0.04 -4.98 121.20 119.12 2x91 s ILE 324 Ca 0.71 -1.07 0.05 0.00 0.00 0.00 0.00 60.65 60.34 2x91 s ILE 324 Cb -0.25 -2.59 0.07 0.00 0.01 0.00 0.00 42.46 39.70 2x91 s ILE 324 CO 0.42 0.11 0.80 2.30 0.00 0.00 0.00 174.94 178.58 2x91 n ILE 325 N 4.68 0.34 -3.99 2.92 -5.35 -1.25 -0.51 119.36 116.21 2x91 n ILE 325 Ca -0.15 -0.67 -0.10 0.00 -0.27 0.00 0.00 62.75 61.55 2x91 n ILE 325 Cb 0.46 0.89 -0.11 0.00 -1.74 0.00 0.00 39.64 39.14 2x91 n ILE 325 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 2x91 s GLU 326 N -0.59 0.32 0.08 6.28 2.02 -1.14 -3.09 118.70 122.58 2x91 s GLU 326 Ca 0.07 -0.56 -0.31 0.00 0.02 0.00 0.00 54.97 54.19 2x91 s GLU 326 Cb 0.04 0.01 -0.09 0.00 0.10 0.00 0.00 34.13 34.19 2x91 s GLU 326 CO 0.06 -0.02 1.81 0.21 0.02 0.00 0.00 175.26 177.34 2x91 s LYS 327 N -1.28 4.15 0.40 1.61 2.20 -1.26 -4.81 119.74 120.75 2x91 s LYS 327 Ca -0.13 2.52 -0.26 0.00 -0.36 0.00 0.00 55.97 57.74 2x91 s LYS 327 Cb -0.09 -3.73 -0.10 0.00 -1.51 0.00 0.00 37.83 32.40 2x91 s LYS 327 CO -0.01 -0.84 1.27 -2.30 -0.36 0.00 0.00 175.35 173.12 2x91 n PRO 328 N 6.12 1.98 0.00 4.03 -0.02 -1.26 -4.93 135.00 140.92 2x91 n PRO 328 Ca 0.18 0.70 0.13 0.00 -2.02 0.00 0.00 63.50 62.49 2x91 n PRO 328 Cb 0.39 -2.37 0.32 0.00 -0.02 0.00 0.00 33.50 31.83 2x91 n PRO 328 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2x91 n THR 329 N -0.06 0.00 -1.72 3.45 -2.24 -1.26 -4.90 114.28 107.55 2x91 n THR 329 Ca 0.06 -0.34 -0.30 0.00 -2.27 0.00 0.00 64.05 61.20 2x91 n THR 329 Cb 0.39 0.93 0.22 0.00 -2.10 0.00 0.00 70.33 69.76 2x91 n THR 329 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2x91 s ASP 330 N -2.05 2.29 0.00 3.42 1.47 -1.26 -4.95 116.67 115.58 2x91 s ASP 330 Ca 0.32 0.26 0.18 0.00 1.18 0.00 0.00 52.55 54.49 2x91 s ASP 330 Cb 0.20 -0.26 1.10 0.00 -0.34 0.00 0.00 42.92 43.63 2x91 s ASP 330 CO 0.34 -3.25 1.71 0.61 0.68 0.00 0.00 175.17 175.26 2x91 n GLY 331 N -3.13 -1.00 3.78 2.12 0.00 -1.26 -4.95 105.19 100.75 2x91 n GLY 331 Ca 0.16 -0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 2x91 n GLY 331 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2x91 s ARG 332 N -2.00 3.14 0.08 1.61 1.70 -1.26 -5.04 118.95 117.18 2x91 s ARG 332 Ca 0.28 1.47 -0.17 0.00 -0.47 0.00 0.00 55.73 56.84 2x91 s ARG 332 Cb 0.13 -1.99 -0.07 0.00 -0.57 0.00 0.00 34.95 32.45 2x91 s ARG 332 CO 0.21 -0.99 0.52 -0.51 -1.08 0.00 0.00 175.30 173.46 2x91 s ASP 333 N -2.21 6.93 0.23 -2.89 1.11 -1.26 -5.02 116.67 113.56 2x91 s ASP 333 Ca 0.69 1.13 -0.16 0.00 0.18 0.00 0.00 52.55 54.39 2x91 s ASP 333 Cb -0.21 -2.31 0.01 0.00 1.07 0.00 0.00 42.92 41.48 2x91 s ASP 333 CO 0.34 0.23 0.54 -1.48 1.18 0.00 0.00 175.17 175.98 2x91 s LEU 334 N -1.38 0.13 -0.47 1.23 2.34 -1.26 -0.41 118.68 118.86 2x91 s LEU 334 Ca 0.31 -0.69 -0.22 0.00 0.06 0.00 0.00 54.13 53.58 2x91 s LEU 334 Cb -0.17 2.09 0.03 0.00 -0.56 0.00 0.00 46.19 47.58 2x91 s LEU 334 CO 0.18 -1.15 0.74 -0.69 -1.06 0.00 0.00 176.35 174.37 2x91 s VAL 335 N -3.94 4.70 -0.29 1.48 1.01 -0.30 -4.81 120.40 118.24 2x91 s VAL 335 Ca 0.15 0.20 0.20 0.00 0.00 0.00 0.00 61.98 62.52 2x91 s VAL 335 Cb -0.02 -4.31 0.17 0.00 0.00 0.00 0.00 36.38 32.22 2x91 s VAL 335 CO 0.04 -0.75 1.43 0.00 0.00 0.00 0.00 175.10 175.82 2x91 n HIS 337 N -3.08 1.95 -1.67 0.00 -0.00 -1.26 -3.89 115.22 107.27 2x91 n HIS 337 Ca 0.02 0.27 -0.44 0.00 -0.00 0.00 0.00 57.72 57.57 2x91 n HIS 337 Cb 0.63 -2.55 -0.02 0.00 -0.00 0.00 0.00 29.99 28.05 2x91 n HIS 337 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2x91 n ALA 338 N 7.65 1.04 -3.07 1.57 0.00 -1.26 -4.93 120.51 121.51 2x91 n ALA 338 Ca 0.32 0.39 -0.12 0.00 0.00 0.00 0.00 53.44 54.03 2x91 n ALA 338 Cb 0.22 -2.24 -0.06 0.00 0.00 0.00 0.00 19.45 17.37 2x91 n ALA 338 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2x91 s SER 339 N 0.01 -0.24 0.01 0.00 1.04 -0.87 -5.03 113.70 108.63 2x91 s SER 339 Ca 0.63 -0.15 0.07 0.00 0.48 0.00 0.00 55.95 56.98 2x91 s SER 339 Cb -0.63 0.43 -0.02 0.00 0.10 0.00 0.00 66.02 65.90 2x91 s SER 339 CO 0.55 -0.72 -0.21 0.00 0.98 0.00 0.00 173.24 173.84 2x91 s ALA 340 N -2.96 1.77 -0.05 5.32 0.00 -1.26 -1.75 121.76 122.83 2x91 s ALA 340 Ca -0.02 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 50.97 2x91 s ALA 340 Cb 0.00 -0.40 0.01 0.00 0.00 0.00 0.00 23.12 22.74 2x91 s ALA 340 CO -0.06 0.42 -0.09 -1.58 0.00 0.00 0.00 175.76 174.45 2x91 s TRP 341 N -0.64 1.08 -0.17 0.00 0.52 0.56 -5.01 118.94 115.29 2x91 s TRP 341 Ca 0.08 -0.34 -0.04 0.00 0.02 0.00 0.00 56.10 55.82 2x91 s TRP 341 Cb -0.08 -0.82 -0.03 0.00 -1.15 0.00 0.00 33.47 31.39 2x91 s TRP 341 CO 0.00 -0.19 -0.03 0.34 0.02 0.00 0.00 176.95 177.09 2x91 s ASP 342 N 0.58 4.79 0.00 2.95 3.68 -1.26 -1.69 116.67 125.72 2x91 s ASP 342 Ca -0.10 -0.15 0.21 0.00 2.13 0.00 0.00 52.55 54.64 2x91 s ASP 342 Cb -0.13 -1.79 0.27 0.00 -1.45 0.00 0.00 42.92 39.82 2x91 s ASP 342 CO 0.02 0.14 1.25 0.49 0.13 0.00 0.00 175.17 177.20 2x91 n PHE 343 N 3.70 0.22 -1.35 -5.34 3.72 -0.85 -4.99 117.46 112.58 2x91 n PHE 343 Ca -0.17 -0.13 -0.12 0.00 -0.05 0.00 0.00 57.45 56.98 2x91 n PHE 343 Cb 0.52 -0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.01 2x91 n PHE 343 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2x91 n TYR 344 N 1.26 0.00 0.00 1.38 4.02 -1.26 -4.26 117.16 118.30 2x91 n TYR 344 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.04 2x91 n TYR 344 Cb 0.55 -2.23 0.00 0.00 -0.02 0.00 0.00 39.34 37.64 2x91 n TYR 344 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 2x91 n LEU 345 N -1.35 0.00 -4.10 7.72 4.77 -1.26 -4.73 117.00 118.04 2x91 n LEU 345 Ca -0.12 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.55 2x91 n LEU 345 Cb 0.40 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.33 2x91 n LEU 345 CO 0.18 0.00 -0.52 -0.89 -1.33 0.00 0.00 177.39 174.83 2x91 s THR 346 N 4.05 1.84 0.00 -5.08 2.01 -1.26 -4.81 115.64 112.39 2x91 s THR 346 Ca 0.00 -0.82 0.00 0.00 0.31 0.00 0.00 61.69 61.18 2x91 s THR 346 Cb 0.00 -1.67 0.00 0.00 0.01 0.00 0.00 72.50 70.84 2x91 s THR 346 CO 0.00 0.51 0.00 0.47 -0.69 0.00 0.00 174.62 174.91 2x91 n ASP 347 N 4.41 -5.15 -4.40 3.53 10.43 -1.26 -4.92 116.55 119.18 2x91 n ASP 347 Ca -0.19 0.00 -0.45 0.00 2.57 0.00 0.00 54.79 56.72 2x91 n ASP 347 Cb 0.51 -2.71 -0.02 0.00 1.84 0.00 0.00 41.12 40.74 2x91 n ASP 347 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 2x91 s ASP 348 N -2.00 6.71 0.03 -2.24 -1.08 -1.26 -4.46 116.67 112.36 2x91 s ASP 348 Ca 0.00 -2.35 0.05 0.00 -0.52 0.00 0.00 52.55 49.72 2x91 s ASP 348 Cb 0.00 -2.32 -0.02 0.00 -1.46 0.00 0.00 42.92 39.12 2x91 s ASP 348 CO 0.00 -0.85 -0.14 0.68 0.52 0.00 0.00 175.17 175.38 2x91 s VAL 349 N 1.62 1.09 0.05 1.11 -7.23 -1.26 -2.01 120.40 113.77 2x91 s VAL 349 Ca 0.28 -0.90 -0.08 0.00 -1.81 0.00 0.00 61.98 59.47 2x91 s VAL 349 Cb -0.07 -0.97 -0.00 0.00 0.56 0.00 0.00 36.38 35.90 2x91 s VAL 349 CO -0.09 0.07 0.17 -0.13 -0.31 0.00 0.00 175.10 174.81 2x91 s ARG 350 N -0.94 0.72 -0.00 4.82 0.52 -0.68 -3.53 118.95 119.85 2x91 s ARG 350 Ca 0.02 -0.77 0.07 0.00 -0.52 0.00 0.00 55.73 54.54 2x91 s ARG 350 Cb -0.07 0.29 -0.02 0.00 0.52 0.00 0.00 34.95 35.67 2x91 s ARG 350 CO 0.01 -0.21 -0.23 0.42 0.02 0.00 0.00 175.30 175.31 2x91 s ILE 351 N -3.01 1.83 -0.30 1.52 1.01 -1.26 -0.32 121.20 120.67 2x91 s ILE 351 Ca -0.02 -1.06 0.01 0.00 0.00 0.00 0.00 60.65 59.59 2x91 s ILE 351 Cb 0.01 -1.53 0.07 0.00 0.01 0.00 0.00 42.46 41.01 2x91 s ILE 351 CO -0.06 0.45 -0.03 -0.75 0.00 0.00 0.00 174.94 174.55 2x91 s LYS 352 N -0.71 2.14 -0.03 2.79 2.20 -0.72 -0.78 119.74 124.64 2x91 s LYS 352 Ca 0.09 -1.45 -0.00 0.00 -0.36 0.00 0.00 55.97 54.24 2x91 s LYS 352 Cb -0.09 -3.07 0.03 0.00 -1.51 0.00 0.00 37.83 33.19 2x91 s LYS 352 CO -0.00 -0.68 0.04 -1.14 -0.36 0.00 0.00 175.35 173.21 2x91 s GLN 353 N 1.11 -0.02 -1.38 4.03 0.74 0.34 -2.05 119.66 122.43 2x91 s GLN 353 Ca -0.03 0.22 -0.11 0.00 0.05 0.00 0.00 55.36 55.48 2x91 s GLN 353 Cb -0.20 -0.24 0.10 0.00 1.10 0.00 0.00 33.01 33.76 2x91 s GLN 353 CO -0.04 -0.17 2.09 0.00 -0.55 0.00 0.00 175.29 176.61 2x91 s THR 355 N 1.70 2.83 0.24 0.00 2.01 -1.18 -4.72 115.64 116.52 2x91 s THR 355 Ca 0.44 0.65 0.10 0.00 0.31 0.00 0.00 61.69 63.19 2x91 s THR 355 Cb 0.12 -3.42 -0.04 0.00 0.01 0.00 0.00 72.50 69.17 2x91 s THR 355 CO -0.04 0.08 -0.07 -0.13 -0.69 0.00 0.00 174.62 173.77 2x91 s ARG 356 N 0.26 2.10 -1.22 4.92 0.52 -1.26 -4.75 118.95 119.52 2x91 s ARG 356 Ca 0.62 -1.43 -0.14 0.00 -0.52 0.00 0.00 55.73 54.26 2x91 s ARG 356 Cb -0.41 -2.09 0.16 0.00 0.52 0.00 0.00 34.95 33.13 2x91 s ARG 356 CO 0.38 0.38 1.47 0.08 0.02 0.00 0.00 175.30 177.63 2x91 s VAL 357 N -2.14 4.93 0.10 3.52 1.01 -1.26 -4.71 120.40 121.85 2x91 s VAL 357 Ca 0.29 -2.56 -0.01 0.00 0.00 0.00 0.00 61.98 59.70 2x91 s VAL 357 Cb -0.07 -4.95 -0.04 0.00 0.00 0.00 0.00 36.38 31.32 2x91 s VAL 357 CO 0.17 -1.67 0.03 0.42 0.00 0.00 0.00 175.10 174.05 2x91 s THR 358 N 1.88 0.14 0.11 3.92 -4.23 -1.26 -4.74 115.64 111.46 2x91 s THR 358 Ca 0.44 -1.88 -0.21 0.00 -1.18 0.00 0.00 61.69 58.86 2x91 s THR 358 Cb -0.02 -1.87 -0.09 0.00 1.34 0.00 0.00 72.50 71.86 2x91 s THR 358 CO 0.01 -0.64 1.74 -0.61 -0.54 0.00 0.00 174.62 174.58 2x91 h GLN 359 N 2.96 0.07 -0.61 3.99 4.15 -1.90 -1.58 115.11 122.19 2x91 h GLN 359 Ca -0.35 -0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.14 2x91 h GLN 359 Cb 1.18 -0.02 -0.06 0.00 0.21 0.00 0.00 27.48 28.79 2x91 h GLN 359 CO 0.61 0.05 0.29 0.22 -1.93 0.00 0.00 178.83 178.07 2x91 h ASP 360 N 0.07 0.38 0.32 -0.69 3.58 -1.97 -1.78 116.42 116.33 2x91 h ASP 360 Ca 0.06 0.05 -0.06 0.00 0.42 0.00 0.00 57.03 57.49 2x91 h ASP 360 Cb 0.05 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.08 2x91 h ASP 360 CO -0.08 0.24 -0.31 1.56 -2.88 0.00 0.00 179.24 177.78 2x91 h GLN 361 N 0.53 0.00 -0.57 0.28 1.08 -1.78 -1.53 115.11 113.12 2x91 h GLN 361 Ca 0.29 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.42 2x91 h GLN 361 Cb 0.27 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.67 2x91 h GLN 361 CO -0.23 0.31 0.07 1.25 -0.95 0.00 0.00 178.83 179.28 2x91 h LEU 362 N 0.00 0.87 -0.39 1.46 5.85 -0.42 -0.24 115.31 122.45 2x91 h LEU 362 Ca -0.00 -0.20 -0.11 0.00 0.84 0.00 0.00 57.88 58.41 2x91 h LEU 362 Cb 0.55 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 2x91 h LEU 362 CO 0.04 0.89 -0.19 -0.26 -0.34 0.00 0.00 178.44 178.58 2x91 h PHE 363 N 0.86 0.94 -0.94 1.25 0.04 -0.98 -2.76 116.94 115.35 2x91 h PHE 363 Ca 0.17 -0.23 0.06 0.00 2.80 0.00 0.00 57.97 60.77 2x91 h PHE 363 Cb 0.41 -0.22 -0.06 0.00 2.20 0.00 0.00 35.95 38.28 2x91 h PHE 363 CO 0.03 0.99 0.60 1.15 -0.60 0.00 0.00 178.31 180.48 2x91 h THR 364 N 0.61 1.09 -0.40 -1.55 2.02 -1.05 0.51 112.91 114.15 2x91 h THR 364 Ca 0.09 -0.38 0.04 0.00 0.77 0.00 0.00 66.41 66.92 2x91 h THR 364 Cb 0.74 -0.12 -0.04 0.00 -1.74 0.00 0.00 68.15 66.99 2x91 h THR 364 CO 0.06 0.20 0.18 0.58 0.37 0.00 0.00 175.52 176.91 2x91 h VAL 365 N 1.12 0.95 -0.52 3.16 2.07 -0.93 -1.18 116.25 120.92 2x91 h VAL 365 Ca 0.40 -0.13 -0.11 0.00 0.82 0.00 0.00 66.70 67.68 2x91 h VAL 365 Cb 0.12 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 2x91 h VAL 365 CO -0.16 0.07 -0.09 0.45 0.02 0.00 0.00 177.57 177.86 2x91 h HIS 366 N 0.38 1.07 -0.12 1.57 -0.00 -1.13 -1.02 115.15 115.89 2x91 h HIS 366 Ca 0.17 -0.21 0.04 0.00 -0.00 0.00 0.00 60.37 60.37 2x91 h HIS 366 Cb 0.10 -0.27 -0.04 0.00 -0.00 0.00 0.00 27.41 27.21 2x91 h HIS 366 CO -0.11 0.99 -0.10 1.25 -0.00 0.00 0.00 177.93 179.96 2x91 h HIS 367 N 0.87 -0.25 -0.41 2.45 6.17 -0.66 -1.25 115.15 122.06 2x91 h HIS 367 Ca 0.14 0.02 -0.09 0.00 0.71 0.00 0.00 60.37 61.15 2x91 h HIS 367 Cb 0.63 0.13 -0.02 0.00 2.52 0.00 0.00 27.41 30.68 2x91 h HIS 367 CO 0.04 -0.15 -0.10 0.93 0.71 0.00 0.00 177.93 179.35 2x91 h GLU 368 N -0.11 0.73 0.00 5.26 4.39 -1.08 -2.53 114.58 121.24 2x91 h GLU 368 Ca 0.08 -0.23 -0.03 0.00 0.34 0.00 0.00 59.36 59.52 2x91 h GLU 368 Cb 0.23 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.81 2x91 h GLU 368 CO -0.19 0.81 -0.15 -0.07 -1.16 0.00 0.00 179.01 178.24 2x91 h LEU 369 N 0.67 0.00 -0.67 1.33 3.38 -1.01 -2.47 115.31 116.54 2x91 h LEU 369 Ca 0.12 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 2x91 h LEU 369 Cb 0.56 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 2x91 h LEU 369 CO 0.03 0.15 0.29 1.23 0.09 0.00 0.00 178.44 180.24 2x91 h GLY 370 N 2.01 1.06 0.94 0.83 0.00 -0.78 -0.58 103.07 106.55 2x91 h GLY 370 Ca -0.00 -0.55 -0.00 0.00 0.00 0.00 0.00 47.33 46.77 2x91 h GLY 370 CO 0.02 0.52 0.09 0.45 0.00 0.00 0.00 176.54 177.62 2x91 h HIS 371 N 0.94 0.22 -0.52 5.60 3.86 -1.37 -2.47 115.15 121.40 2x91 h HIS 371 Ca 0.23 -0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.49 2x91 h HIS 371 Cb 0.17 -0.07 -0.05 0.00 1.06 0.00 0.00 27.41 28.52 2x91 h HIS 371 CO 0.01 0.21 0.24 0.82 0.86 0.00 0.00 177.93 180.07 2x91 h ILE 372 N 0.16 0.91 -0.54 2.45 1.08 -1.28 -1.26 117.51 119.03 2x91 h ILE 372 Ca 0.06 -0.16 0.02 0.00 -0.39 0.00 0.00 64.86 64.39 2x91 h ILE 372 Cb 0.07 0.40 -0.03 0.00 -3.07 0.00 0.00 36.82 34.18 2x91 h ILE 372 CO -0.01 0.09 0.33 -0.61 -0.69 0.00 0.00 178.15 177.25 2x91 h GLN 373 N 0.47 0.63 -0.37 2.37 5.75 -1.04 -1.43 115.11 121.49 2x91 h GLN 373 Ca 0.24 -0.04 0.04 0.00 -0.15 0.00 0.00 58.65 58.74 2x91 h GLN 373 Cb 0.19 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 28.56 2x91 h GLN 373 CO -0.19 0.42 0.14 -0.92 -2.65 0.00 0.00 178.83 175.63 2x91 h TYR 374 N 0.65 0.25 -0.55 3.99 -0.00 -0.95 0.82 116.97 121.18 2x91 h TYR 374 Ca 0.21 0.02 0.09 0.00 -0.00 0.00 0.00 58.73 59.05 2x91 h TYR 374 Cb 0.01 -0.06 -0.07 0.00 -0.00 0.00 0.00 36.73 36.61 2x91 h TYR 374 CO -0.06 0.11 0.17 0.74 -0.00 0.00 0.00 178.16 179.12 2x91 h PHE 375 N 0.30 0.30 -0.23 -3.82 0.04 -0.75 -2.15 116.94 110.62 2x91 h PHE 375 Ca 0.17 0.03 -0.13 0.00 2.80 0.00 0.00 57.97 60.83 2x91 h PHE 375 Cb 0.14 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.23 2x91 h PHE 375 CO -0.14 0.06 -0.41 -0.07 -0.60 0.00 0.00 178.31 177.15 2x91 h LEU 376 N 0.34 0.59 -0.98 1.54 3.38 -0.70 -2.48 115.31 116.99 2x91 h LEU 376 Ca 0.28 -0.27 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 2x91 h LEU 376 Cb 0.35 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2x91 h LEU 376 CO -0.31 0.93 -0.36 1.56 0.09 0.00 0.00 178.44 180.35 2x91 h GLN 377 N 0.46 0.27 -0.34 1.13 1.08 -0.35 -3.25 115.11 114.11 2x91 h GLN 377 Ca 0.04 -0.12 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 2x91 h GLN 377 Cb 0.91 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.33 2x91 h GLN 377 CO 0.08 0.60 0.00 2.48 -0.95 0.00 0.00 178.83 181.04 2x91 n TYR 378 N -4.06 0.48 0.28 2.96 0.18 -0.85 -4.18 117.16 111.96 2x91 n TYR 378 Ca -0.01 -0.51 0.12 0.00 1.88 0.00 0.00 57.90 59.38 2x91 n TYR 378 Cb 0.45 -0.04 0.58 0.00 -0.38 0.00 0.00 39.34 39.95 2x91 n TYR 378 CO 0.00 0.00 0.00 -0.56 -2.08 0.00 0.00 176.86 174.22 2x91 h GLN 379 N 2.01 0.00 0.00 -3.48 3.07 -1.48 -0.99 115.11 114.24 2x91 h GLN 379 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2x91 h GLN 379 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.31 2x91 h GLN 379 CO 0.01 0.00 -0.17 -2.39 0.09 0.00 0.00 178.83 176.37 2x91 n HIS 380 N -2.33 0.81 -1.74 0.06 1.44 -1.26 -4.91 115.22 107.29 2x91 n HIS 380 Ca 0.00 0.24 -0.33 0.00 -2.01 0.00 0.00 57.72 55.62 2x91 n HIS 380 Cb 0.14 -0.85 0.05 0.00 0.12 0.00 0.00 29.99 29.44 2x91 n HIS 380 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 2x91 s GLN 381 N -3.11 2.82 0.61 -1.40 -1.52 -0.38 -5.00 119.66 111.67 2x91 s GLN 381 Ca 0.10 1.33 -0.19 0.00 -1.95 0.00 0.00 55.36 54.65 2x91 s GLN 381 Cb 0.13 -1.96 -0.04 0.00 -0.22 0.00 0.00 33.01 30.92 2x91 s GLN 381 CO 0.63 -1.23 1.08 -0.35 -0.25 0.00 0.00 175.29 175.17 2x91 n PRO 382 N -2.50 1.01 -0.29 2.91 -0.04 -1.26 -4.75 135.00 130.08 2x91 n PRO 382 Ca 0.10 0.39 0.05 0.00 -0.04 0.00 0.00 63.50 64.00 2x91 n PRO 382 Cb 0.52 -2.30 0.14 0.00 -0.04 0.00 0.00 33.50 31.82 2x91 n PRO 382 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 2x91 h PHE 383 N 0.57 -0.30 0.00 0.54 3.57 -1.95 0.57 116.94 119.94 2x91 h PHE 383 Ca -0.49 0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.07 2x91 h PHE 383 Cb 1.35 0.26 -0.00 0.00 2.79 0.00 0.00 35.95 40.36 2x91 h PHE 383 CO 0.39 -0.34 -0.01 -0.39 -2.23 0.00 0.00 178.31 175.73 2x91 h VAL 384 N 0.02 0.20 -0.02 1.41 -1.51 -1.89 -0.35 116.25 114.10 2x91 h VAL 384 Ca 0.42 -0.11 0.00 0.00 -1.23 0.00 0.00 66.70 65.78 2x91 h VAL 384 Cb 0.70 1.09 0.00 0.00 -2.13 0.00 0.00 31.29 30.95 2x91 h VAL 384 CO -0.81 0.01 -0.05 -1.22 -1.23 0.00 0.00 177.57 174.27 2x91 n TYR 385 N -3.34 0.00 -1.87 5.19 4.01 0.18 -4.65 117.16 116.69 2x91 n TYR 385 Ca -0.03 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.31 2x91 n TYR 385 Cb 0.11 -0.01 -0.01 0.00 -0.31 0.00 0.00 39.34 39.13 2x91 n TYR 385 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2x91 n ARG 386 N 0.67 3.71 -3.83 -0.72 1.74 -0.14 -1.12 116.66 116.96 2x91 n ARG 386 Ca 0.15 -2.99 -0.07 0.00 -0.77 0.00 0.00 57.85 54.17 2x91 n ARG 386 Cb 0.48 -2.91 0.00 0.00 -1.02 0.00 0.00 32.46 29.02 2x91 n ARG 386 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2x91 s THR 387 N 1.06 0.00 0.74 0.55 -1.32 -1.26 -5.01 115.64 110.40 2x91 s THR 387 Ca 0.52 -0.96 -0.12 0.00 -1.21 0.00 0.00 61.69 59.92 2x91 s THR 387 Cb 0.15 -2.47 0.04 0.00 -1.51 0.00 0.00 72.50 68.71 2x91 s THR 387 CO -0.06 0.00 1.11 -0.83 -2.21 0.00 0.00 174.62 172.63 2x91 s GLY 388 N -3.02 1.89 0.22 6.08 0.00 -1.26 -2.33 107.32 108.91 2x91 s GLY 388 Ca 0.14 0.44 -0.08 0.00 0.00 0.00 0.00 44.72 45.22 2x91 s GLY 388 CO 0.09 0.80 1.82 0.00 0.00 0.00 0.00 173.10 175.80 2x91 h ALA 389 N -0.73 1.01 -2.67 3.20 0.00 -1.91 -3.38 119.26 114.77 2x91 h ALA 389 Ca -0.45 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.33 2x91 h ALA 389 Cb 1.24 -0.15 -0.12 0.00 0.00 0.00 0.00 17.79 18.76 2x91 h ALA 389 CO 0.51 0.11 -0.38 0.54 0.00 0.00 0.00 179.25 180.03 2x91 s ASN 390 N -5.64 0.05 0.54 0.00 2.20 -1.26 -4.15 114.94 106.68 2x91 s ASN 390 Ca -0.13 -1.09 0.21 0.00 -0.94 0.00 0.00 52.86 50.91 2x91 s ASN 390 Cb 0.17 0.46 1.39 0.00 -2.00 0.00 0.00 41.25 41.27 2x91 s ASN 390 CO 0.77 -0.95 2.10 -0.65 -2.94 0.00 0.00 177.10 175.44 2x91 h PRO 391 N 2.50 0.00 -0.25 3.55 0.11 -1.83 -1.30 132.00 134.78 2x91 h PRO 391 Ca -0.32 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.72 2x91 h PRO 391 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 2x91 h PRO 391 CO 0.46 0.00 -0.18 0.78 -0.21 0.00 0.00 178.00 178.85 2x91 h GLY 392 N 0.00 0.47 0.94 -0.55 0.00 -1.91 -3.04 103.07 98.98 2x91 h GLY 392 Ca 0.09 -0.34 0.02 0.00 0.00 0.00 0.00 47.33 47.09 2x91 h GLY 392 CO -0.00 0.32 0.35 0.74 0.00 0.00 0.00 176.54 177.94 2x91 h PHE 393 N 0.40 0.66 -0.93 5.60 0.05 -1.54 -2.01 116.94 119.16 2x91 h PHE 393 Ca 0.07 0.02 -0.01 0.00 3.82 0.00 0.00 57.97 61.87 2x91 h PHE 393 Cb 0.55 -0.22 -0.04 0.00 2.00 0.00 0.00 35.95 38.23 2x91 h PHE 393 CO 0.02 0.39 0.56 1.25 -0.18 0.00 0.00 178.31 180.35 2x91 h HIS 394 N 0.70 1.23 0.00 -0.55 2.76 -1.55 -2.40 115.15 115.34 2x91 h HIS 394 Ca 0.21 -0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.31 2x91 h HIS 394 Cb -0.03 -0.40 -0.01 0.00 1.55 0.00 0.00 27.41 28.52 2x91 h HIS 394 CO -0.05 0.81 -0.31 0.93 -1.30 0.00 0.00 177.93 178.02 2x91 h GLU 395 N 1.28 0.00 0.03 5.26 4.39 -1.44 -3.31 114.58 120.79 2x91 h GLU 395 Ca 0.33 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.81 2x91 h GLU 395 Cb -0.06 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 2x91 h GLU 395 CO -0.06 0.31 -1.08 0.00 -1.16 0.00 0.00 179.01 177.02 2x91 h ALA 396 N 1.69 0.30 0.22 3.43 0.00 -0.84 -3.38 119.26 120.68 2x91 h ALA 396 Ca -0.00 -0.92 0.01 0.00 0.00 0.00 0.00 54.91 54.00 2x91 h ALA 396 Cb 0.85 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 2x91 h ALA 396 CO 0.04 1.19 -0.48 0.28 0.00 0.00 0.00 179.25 180.28 2x91 h VAL 397 N 0.02 0.07 -0.22 0.00 2.07 -1.63 -1.78 116.25 114.77 2x91 h VAL 397 Ca -0.05 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.41 2x91 h VAL 397 Cb 1.83 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 2x91 h VAL 397 CO 0.15 0.00 -0.13 1.23 0.02 0.00 0.00 177.57 178.84 2x91 h GLY 398 N -0.78 0.38 1.91 2.17 0.00 -1.75 -2.61 103.07 102.39 2x91 h GLY 398 Ca -0.01 -0.25 -0.09 0.00 0.00 0.00 0.00 47.33 46.98 2x91 h GLY 398 CO -0.21 0.23 -0.40 -0.55 0.00 0.00 0.00 176.54 175.61 2x91 h ASP 399 N 0.33 0.10 -0.82 0.19 5.19 -1.64 -1.42 116.42 118.35 2x91 h ASP 399 Ca 0.06 -0.04 0.01 0.00 -0.62 0.00 0.00 57.03 56.45 2x91 h ASP 399 Cb 0.44 -0.03 -0.04 0.00 0.18 0.00 0.00 39.33 39.87 2x91 h ASP 399 CO 0.03 0.49 0.54 0.58 -3.12 0.00 0.00 179.24 177.76 2x91 h VAL 400 N 0.09 1.19 -0.25 -1.35 2.07 -0.93 -0.43 116.25 116.63 2x91 h VAL 400 Ca 0.01 -0.37 -0.17 0.00 0.82 0.00 0.00 66.70 66.99 2x91 h VAL 400 Cb 0.74 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 2x91 h VAL 400 CO 0.06 0.20 -0.49 -0.07 0.02 0.00 0.00 177.57 177.28 2x91 h LEU 401 N 1.09 0.87 -1.30 2.57 3.38 -1.51 -3.14 115.31 117.27 2x91 h LEU 401 Ca 0.31 -0.54 0.10 0.00 0.09 0.00 0.00 57.88 57.83 2x91 h LEU 401 Cb -0.09 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.35 2x91 h LEU 401 CO -0.08 1.25 0.54 0.28 0.09 0.00 0.00 178.44 180.52 2x91 h SER 402 N 0.52 0.71 -0.78 -0.43 0.02 -0.95 0.75 113.55 113.40 2x91 h SER 402 Ca 0.01 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 60.99 2x91 h SER 402 Cb 1.10 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 63.47 2x91 h SER 402 CO 0.11 0.42 0.51 -0.07 -1.14 0.00 0.00 176.83 176.66 2x91 h LEU 403 N 0.78 0.87 0.02 5.07 3.38 -1.04 -0.17 115.31 124.23 2x91 h LEU 403 Ca 0.38 -0.02 -0.24 0.00 0.09 0.00 0.00 57.88 58.09 2x91 h LEU 403 Cb 0.43 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2x91 h LEU 403 CO -0.15 0.63 -1.11 0.77 0.09 0.00 0.00 178.44 178.66 2x91 h SER 404 N 1.03 0.30 -0.93 -0.43 4.64 -1.38 -3.21 113.55 113.57 2x91 h SER 404 Ca 0.29 -0.30 0.03 0.00 -0.47 0.00 0.00 61.79 61.33 2x91 h SER 404 Cb -0.09 -0.10 -0.05 0.00 -0.31 0.00 0.00 62.40 61.85 2x91 h SER 404 CO -0.07 1.21 0.61 0.58 -0.87 0.00 0.00 176.83 178.29 2x91 h VAL 405 N 0.07 1.18 0.00 0.95 2.07 -0.67 -2.65 116.25 117.20 2x91 h VAL 405 Ca -0.09 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.02 2x91 h VAL 405 Cb 1.84 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 2x91 h VAL 405 CO 0.17 0.22 0.00 0.77 0.02 0.00 0.00 177.57 178.75 2x91 h SER 406 N 1.20 0.00 -3.99 0.57 4.64 -1.03 -3.36 113.55 111.58 2x91 h SER 406 Ca 0.36 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 61.17 2x91 h SER 406 Cb -0.03 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.12 2x91 h SER 406 CO -0.10 0.00 0.50 0.42 -0.87 0.00 0.00 176.83 176.78 2x91 s THR 407 N -3.39 3.06 0.32 2.95 -4.23 -1.00 -4.89 115.64 108.47 2x91 s THR 407 Ca 0.03 0.83 0.05 0.00 -1.18 0.00 0.00 61.69 61.42 2x91 s THR 407 Cb 0.09 -3.43 0.30 0.00 1.34 0.00 0.00 72.50 70.80 2x91 s THR 407 CO 0.41 0.01 1.84 -0.65 -0.54 0.00 0.00 174.62 175.69 2x91 h PRO 408 N 2.19 0.82 -0.18 3.99 0.11 -1.88 -1.18 132.00 135.86 2x91 h PRO 408 Ca -0.49 -0.05 0.05 0.00 0.11 0.00 0.00 66.00 65.62 2x91 h PRO 408 Cb 1.25 -0.18 -0.07 0.00 0.11 0.00 0.00 31.00 32.10 2x91 h PRO 408 CO 0.61 0.54 -0.34 -0.22 -0.21 0.00 0.00 178.00 178.37 2x91 h LYS 409 N 0.84 -0.37 -0.28 1.05 3.64 -1.92 -1.01 116.57 118.52 2x91 h LYS 409 Ca 0.49 0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.75 2x91 h LYS 409 Cb 0.64 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.54 2x91 h LYS 409 CO -0.25 -0.25 -0.36 1.25 -2.27 0.00 0.00 179.45 177.57 2x91 h HIS 410 N -0.39 0.90 -0.03 1.91 2.76 -1.69 -3.01 115.15 115.61 2x91 h HIS 410 Ca 0.11 -0.29 -0.06 0.00 -2.20 0.00 0.00 60.37 57.92 2x91 h HIS 410 Cb 0.56 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 29.33 2x91 h HIS 410 CO -0.45 1.06 -0.28 -0.07 -1.30 0.00 0.00 177.93 176.90 2x91 h LEU 411 N 0.48 0.05 -0.62 0.26 3.38 -1.05 -1.48 115.31 116.33 2x91 h LEU 411 Ca 0.03 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.86 2x91 h LEU 411 Cb 0.95 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 2x91 h LEU 411 CO 0.09 0.33 -0.33 -0.33 0.09 0.00 0.00 178.44 178.29 2x91 h GLU 412 N 0.05 0.73 -0.98 1.13 5.08 -1.21 -1.16 114.58 118.22 2x91 h GLU 412 Ca 0.01 -0.34 0.02 0.00 -1.00 0.00 0.00 59.36 58.04 2x91 h GLU 412 Cb 0.52 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.71 2x91 h GLU 412 CO 0.04 0.96 0.65 0.87 -1.00 0.00 0.00 179.01 180.52 2x91 h LYS 413 N 0.62 1.27 -0.47 2.33 1.57 -1.14 -2.38 116.57 118.36 2x91 h LYS 413 Ca 0.07 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2x91 h LYS 413 Cb 0.85 -0.29 0.00 0.00 0.08 0.00 0.00 32.23 32.88 2x91 h LYS 413 CO 0.07 0.84 0.00 0.44 -0.57 0.00 0.00 179.45 180.23 2x91 n ILE 414 N -4.40 0.63 -1.63 1.86 -5.35 -0.97 -4.93 119.36 104.56 2x91 n ILE 414 Ca 0.12 -0.64 -0.13 0.00 -0.27 0.00 0.00 62.75 61.83 2x91 n ILE 414 Cb 0.04 0.35 -0.04 0.00 -1.74 0.00 0.00 39.64 38.25 2x91 n ILE 414 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2x91 n GLY 415 N 1.28 0.92 0.04 3.28 0.00 -0.90 -4.89 105.19 104.92 2x91 n GLY 415 Ca 0.16 -0.40 0.11 0.00 0.00 0.00 0.00 46.02 45.89 2x91 n GLY 415 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2x91 n LEU 416 N -1.58 0.55 -4.02 0.99 4.77 -0.47 -4.80 117.00 112.43 2x91 n LEU 416 Ca -0.14 0.03 -0.31 0.00 -0.03 0.00 0.00 56.01 55.57 2x91 n LEU 416 Cb 0.48 -0.07 -0.16 0.00 -2.33 0.00 0.00 43.42 41.34 2x91 n LEU 416 CO 0.19 -0.00 -0.48 -0.22 -1.33 0.00 0.00 177.39 175.55 2x91 s LEU 417 N -4.29 2.11 0.12 2.23 2.96 -1.00 -4.76 118.68 116.05 2x91 s LEU 417 Ca 0.01 -0.74 0.10 0.00 -0.22 0.00 0.00 54.13 53.28 2x91 s LEU 417 Cb 0.13 -1.27 -0.04 0.00 0.50 0.00 0.00 46.19 45.52 2x91 s LEU 417 CO 0.82 -0.10 -0.26 -0.54 -1.32 0.00 0.00 176.35 174.96 2x91 s LYS 418 N 1.40 1.34 -1.46 1.98 1.02 -1.26 -4.32 119.74 118.44 2x91 s LYS 418 Ca 0.01 -1.31 -0.09 0.00 0.02 0.00 0.00 55.97 54.61 2x91 s LYS 418 Cb -0.15 -1.79 0.04 0.00 -0.52 0.00 0.00 37.83 35.42 2x91 s LYS 418 CO -0.10 0.42 0.77 -0.25 -0.92 0.00 0.00 175.35 175.27 2x91 n ASP 419 N 0.95 -5.30 -4.68 2.83 10.43 -1.26 -4.95 116.55 114.56 2x91 n ASP 419 Ca -0.18 -0.47 -0.39 0.00 2.57 0.00 0.00 54.79 56.31 2x91 n ASP 419 Cb 0.53 -4.27 -0.06 0.00 1.84 0.00 0.00 41.12 39.16 2x91 n ASP 419 CO 0.00 0.00 0.00 -0.47 -1.07 0.00 0.00 177.20 175.66 2x91 s TYR 420 N -3.17 3.42 -0.26 1.24 5.04 -1.26 -5.05 117.35 117.30 2x91 s TYR 420 Ca 0.46 0.88 -0.05 0.00 -2.44 0.00 0.00 57.07 55.92 2x91 s TYR 420 Cb -0.22 -2.70 0.00 0.00 0.35 0.00 0.00 41.96 39.39 2x91 s TYR 420 CO 0.57 -0.06 0.02 0.08 -1.34 0.00 0.00 175.55 174.83 2x91 s VAL 421 N 1.45 3.68 -1.23 3.14 1.01 -1.26 -5.04 120.40 122.16 2x91 s VAL 421 Ca 0.27 -0.62 -0.08 0.00 0.00 0.00 0.00 61.98 61.55 2x91 s VAL 421 Cb -0.16 -2.81 0.20 0.00 0.00 0.00 0.00 36.38 33.61 2x91 s VAL 421 CO 0.11 0.23 1.76 -1.14 0.00 0.00 0.00 175.10 176.05 2x91 n ARG 422 N 4.82 3.82 -1.57 2.72 0.63 -1.26 -4.75 116.66 121.08 2x91 n ARG 422 Ca -0.16 -3.80 -0.18 0.00 -0.92 0.00 0.00 57.85 52.79 2x91 n ARG 422 Cb 0.49 -2.82 0.12 0.00 0.45 0.00 0.00 32.46 30.69 2x91 n ARG 422 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 2x91 n ASP 423 N 3.30 0.43 -0.36 6.15 3.85 -1.26 -4.84 116.55 123.81 2x91 n ASP 423 Ca 0.36 -1.52 0.02 0.00 -0.71 0.00 0.00 54.79 52.95 2x91 n ASP 423 Cb 0.36 -0.59 0.16 0.00 -1.35 0.00 0.00 41.12 39.71 2x91 n ASP 423 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 2x91 h ASP 424 N -0.86 1.02 -0.21 -1.12 3.45 -1.99 -1.40 116.42 115.30 2x91 h ASP 424 Ca -0.26 0.01 -0.18 0.00 0.43 0.00 0.00 57.03 57.02 2x91 h ASP 424 Cb 0.82 -0.21 0.00 0.00 -0.56 0.00 0.00 39.33 39.38 2x91 h ASP 424 CO 0.22 0.65 -0.57 -0.33 -1.57 0.00 0.00 179.24 177.64 2x91 h GLU 425 N 1.16 0.76 -0.70 3.56 5.08 -1.96 -2.40 114.58 120.06 2x91 h GLU 425 Ca 0.42 -0.54 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 2x91 h GLU 425 Cb 0.15 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 2x91 h GLU 425 CO -0.17 1.16 0.36 0.00 -1.00 0.00 0.00 179.01 179.36 2x91 h ALA 426 N 0.60 1.31 -0.47 3.43 0.00 -1.80 -2.17 119.26 120.16 2x91 h ALA 426 Ca -0.01 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2x91 h ALA 426 Cb 1.19 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 2x91 h ALA 426 CO 0.12 0.55 0.17 -0.09 0.00 0.00 0.00 179.25 180.01 2x91 h ARG 427 N 0.99 0.71 -0.56 0.00 2.43 -1.14 -1.83 114.38 114.98 2x91 h ARG 427 Ca 0.25 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 2x91 h ARG 427 Cb 0.06 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 2x91 h ARG 427 CO -0.04 0.65 0.30 0.82 -1.51 0.00 0.00 179.97 180.20 2x91 h ILE 428 N 0.62 1.19 -0.47 1.20 1.08 -1.24 0.38 117.51 120.26 2x91 h ILE 428 Ca 0.15 -0.48 0.07 0.00 -0.39 0.00 0.00 64.86 64.22 2x91 h ILE 428 Cb 0.22 0.49 -0.06 0.00 -3.07 0.00 0.00 36.82 34.40 2x91 h ILE 428 CO -0.01 0.20 0.14 0.78 -0.69 0.00 0.00 178.15 178.57 2x91 h ASN 429 N 0.75 0.11 -0.42 1.72 2.35 -1.20 0.13 115.58 119.02 2x91 h ASN 429 Ca 0.20 0.07 -0.10 0.00 -0.55 0.00 0.00 56.30 55.92 2x91 h ASN 429 Cb 0.05 0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 2x91 h ASN 429 CO -0.03 0.09 -0.11 -0.61 -1.65 0.00 0.00 177.43 175.12 2x91 h GLN 430 N 0.30 0.81 -0.81 0.81 5.75 -0.98 0.10 115.11 121.09 2x91 h GLN 430 Ca 0.23 -0.32 -0.04 0.00 -0.15 0.00 0.00 58.65 58.38 2x91 h GLN 430 Cb 0.26 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.73 2x91 h GLN 430 CO -0.26 0.94 0.36 -0.07 -2.65 0.00 0.00 178.83 177.15 2x91 h LEU 431 N 0.63 1.08 -0.35 -2.39 3.38 -0.70 -1.27 115.31 115.70 2x91 h LEU 431 Ca 0.10 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 2x91 h LEU 431 Cb 0.64 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2x91 h LEU 431 CO 0.04 0.93 -0.01 0.15 0.09 0.00 0.00 178.44 179.65 2x91 h PHE 432 N 1.16 0.67 -0.61 1.13 3.04 -0.53 -0.73 116.94 121.07 2x91 h PHE 432 Ca 0.27 -0.12 0.05 0.00 3.98 0.00 0.00 57.97 62.16 2x91 h PHE 432 Cb 0.16 -0.17 -0.05 0.00 2.56 0.00 0.00 35.95 38.44 2x91 h PHE 432 CO 0.02 0.73 0.33 1.25 -2.02 0.00 0.00 178.31 178.61 2x91 h LEU 433 N 0.42 0.48 -0.60 0.59 5.85 -0.82 -0.01 115.31 121.23 2x91 h LEU 433 Ca 0.10 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 2x91 h LEU 433 Cb 0.46 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 2x91 h LEU 433 CO 0.02 0.32 0.21 0.74 -0.34 0.00 0.00 178.44 179.39 2x91 h THR 434 N 0.62 1.24 -0.62 1.05 2.02 -1.08 -2.98 112.91 113.16 2x91 h THR 434 Ca 0.27 -0.78 -0.04 0.00 0.77 0.00 0.00 66.41 66.63 2x91 h THR 434 Cb 0.16 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 2x91 h THR 434 CO -0.17 0.30 0.22 0.00 0.37 0.00 0.00 175.52 176.24 2x91 h ALA 435 N 1.07 1.23 -0.02 6.16 0.00 -0.60 0.26 119.26 127.36 2x91 h ALA 435 Ca 0.20 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.94 2x91 h ALA 435 Cb 0.25 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2x91 h ALA 435 CO -0.01 0.55 0.04 -0.07 0.00 0.00 0.00 179.25 179.76 2x91 h LEU 436 N 0.89 0.00 0.01 0.00 3.38 -0.85 -0.06 115.31 118.69 2x91 h LEU 436 Ca 0.21 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.83 2x91 h LEU 436 Cb 0.21 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 2x91 h LEU 436 CO -0.01 0.00 -1.94 0.47 0.09 0.00 0.00 178.44 177.05 2x91 n ASP 437 N -3.62 1.93 0.01 -0.43 10.43 -0.77 -0.83 116.55 123.29 2x91 n ASP 437 Ca -0.02 0.32 -0.18 0.00 2.57 0.00 0.00 54.79 57.48 2x91 n ASP 437 Cb 0.12 -0.85 -0.14 0.00 1.84 0.00 0.00 41.12 42.08 2x91 n ASP 437 CO 0.00 0.00 0.00 0.11 -1.07 0.00 0.00 177.20 176.24 2x91 h LYS 438 N -0.81 0.22 0.09 -1.24 1.79 -0.20 -3.25 116.57 113.17 2x91 h LYS 438 Ca -0.52 -0.38 -0.21 0.00 -2.18 0.00 0.00 60.65 57.36 2x91 h LYS 438 Cb 1.55 0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 32.34 2x91 h LYS 438 CO -0.26 1.07 -1.07 0.82 -1.08 0.00 0.00 179.45 178.93 2x91 h ILE 439 N 0.06 1.22 -0.81 1.86 1.08 -1.22 -3.36 117.51 116.35 2x91 h ILE 439 Ca -0.37 -2.39 0.13 0.00 -0.39 0.00 0.00 64.86 61.84 2x91 h ILE 439 Cb 2.04 2.84 -0.06 0.00 -3.07 0.00 0.00 36.82 38.57 2x91 h ILE 439 CO 0.11 0.64 0.53 0.58 -0.69 0.00 0.00 178.15 179.31 2x91 h VAL 440 N -0.52 0.87 -0.03 1.67 2.07 -1.68 -1.94 116.25 116.70 2x91 h VAL 440 Ca -0.23 -0.21 -0.05 0.00 0.82 0.00 0.00 66.70 67.02 2x91 h VAL 440 Cb 1.56 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 2x91 h VAL 440 CO 0.03 0.11 -0.22 0.15 0.02 0.00 0.00 177.57 177.66 2x91 h PHE 441 N 0.62 0.06 0.29 1.57 3.57 -1.58 -3.34 116.94 118.13 2x91 h PHE 441 Ca 0.39 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.88 2x91 h PHE 441 Cb 0.65 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 2x91 h PHE 441 CO -0.00 0.28 -0.22 -0.07 -2.23 0.00 0.00 178.31 176.07 2x91 h LEU 442 N 0.05 -0.56 -0.94 0.59 3.38 -1.48 0.59 115.31 116.94 2x91 h LEU 442 Ca 0.01 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 2x91 h LEU 442 Cb 0.42 0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 2x91 h LEU 442 CO 0.03 -0.33 0.24 1.55 0.09 0.00 0.00 178.44 180.02 2x91 h PRO 443 N -0.51 1.01 -0.09 1.13 0.13 -1.75 -2.11 132.00 129.81 2x91 h PRO 443 Ca -0.02 -0.19 0.04 0.00 -0.87 0.00 0.00 66.00 64.97 2x91 h PRO 443 Cb 0.44 -0.16 -0.06 0.00 0.13 0.00 0.00 31.00 31.35 2x91 h PRO 443 CO -0.00 0.84 -0.30 0.35 -0.23 0.00 0.00 178.00 178.66 2x91 h PHE 444 N 0.98 -0.81 -0.84 1.56 3.57 -1.56 -1.70 116.94 118.15 2x91 h PHE 444 Ca 0.22 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.75 2x91 h PHE 444 Cb 0.23 0.37 -0.04 0.00 2.79 0.00 0.00 35.95 39.30 2x91 h PHE 444 CO 0.02 -0.38 0.51 0.00 -2.23 0.00 0.00 178.31 176.23 2x91 h ALA 445 N 0.44 1.07 -0.71 2.41 0.00 -0.70 -2.36 119.26 119.41 2x91 h ALA 445 Ca 0.09 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2x91 h ALA 445 Cb 0.52 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2x91 h ALA 445 CO -0.31 0.52 0.37 0.35 0.00 0.00 0.00 179.25 180.17 2x91 h PHE 446 N 1.15 1.00 -0.13 0.00 3.04 -1.13 -2.98 116.94 117.88 2x91 h PHE 446 Ca 0.30 -0.04 -0.08 0.00 3.98 0.00 0.00 57.97 62.13 2x91 h PHE 446 Cb -0.06 -0.31 -0.01 0.00 2.56 0.00 0.00 35.95 38.12 2x91 h PHE 446 CO -0.00 0.72 -0.30 1.79 -2.02 0.00 0.00 178.31 178.50 2x91 h THR 447 N 0.98 1.26 -0.44 4.41 1.35 -0.80 -0.99 112.91 118.68 2x91 h THR 447 Ca 0.25 -1.24 0.05 0.00 -0.55 0.00 0.00 66.41 64.92 2x91 h THR 447 Cb 0.08 1.49 -0.05 0.00 -1.73 0.00 0.00 68.15 67.94 2x91 h THR 447 CO -0.04 0.38 0.18 0.24 -0.25 0.00 0.00 175.52 176.03 2x91 h MET 448 N 0.22 0.36 0.00 4.72 2.86 -1.31 -0.45 114.93 121.34 2x91 h MET 448 Ca 0.03 -0.02 -0.26 0.00 -2.06 0.00 0.00 59.70 57.39 2x91 h MET 448 Cb 0.65 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.18 2x91 h MET 448 CO 0.05 0.24 -1.40 -0.44 1.06 0.00 0.00 176.91 176.41 2x91 h ASP 449 N 0.37 0.01 -0.93 1.22 3.45 -1.60 -2.96 116.42 115.98 2x91 h ASP 449 Ca 0.20 -0.02 0.05 0.00 0.43 0.00 0.00 57.03 57.70 2x91 h ASP 449 Cb 0.17 -0.00 -0.06 0.00 -0.56 0.00 0.00 39.33 38.87 2x91 h ASP 449 CO -0.19 1.01 0.59 0.11 -1.57 0.00 0.00 179.24 179.20 2x91 h LYS 450 N 0.00 1.07 0.74 3.56 1.57 -1.06 0.35 116.57 122.80 2x91 h LYS 450 Ca -0.17 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.51 2x91 h LYS 450 Cb 1.91 -0.24 0.01 0.00 0.08 0.00 0.00 32.23 33.99 2x91 h LYS 450 CO 0.10 0.71 -0.35 -0.92 -0.57 0.00 0.00 179.45 178.42 2x91 h TYR 451 N 1.10 -0.92 -0.59 -1.35 3.20 -1.15 -2.03 116.97 115.23 2x91 h TYR 451 Ca 0.39 -0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.18 2x91 h TYR 451 Cb 0.12 0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.67 2x91 h TYR 451 CO -0.02 -0.56 0.12 0.00 -1.64 0.00 0.00 178.16 176.07 2x91 h ARG 452 N -1.07 0.94 -0.80 1.82 3.08 -1.34 -1.82 114.38 115.19 2x91 h ARG 452 Ca -0.10 -0.21 0.08 0.00 0.07 0.00 0.00 59.98 59.82 2x91 h ARG 452 Cb 0.78 -0.13 -0.07 0.00 0.08 0.00 0.00 29.97 30.63 2x91 h ARG 452 CO 0.17 0.85 0.46 -1.49 -1.07 0.00 0.00 179.97 178.89 2x91 h TRP 453 N 0.89 0.84 -0.18 3.04 6.55 -0.33 0.11 115.95 126.87 2x91 h TRP 453 Ca 0.19 0.03 -0.11 0.00 0.95 0.00 0.00 58.89 59.95 2x91 h TRP 453 Cb 0.35 -0.26 -0.01 0.00 -0.86 0.00 0.00 29.16 28.38 2x91 h TRP 453 CO 0.02 0.36 -0.36 0.66 -1.05 0.00 0.00 178.44 178.08 2x91 h SER 454 N 0.79 0.38 -0.11 -3.49 4.64 -0.58 0.33 113.55 115.52 2x91 h SER 454 Ca 0.38 -0.15 -0.06 0.00 -0.47 0.00 0.00 61.79 61.48 2x91 h SER 454 Cb 0.31 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.29 2x91 h SER 454 CO -0.23 0.72 -0.17 -0.07 -0.87 0.00 0.00 176.83 176.21 2x91 h LEU 455 N 0.32 0.33 -0.72 5.97 3.38 -0.95 -0.28 115.31 123.36 2x91 h LEU 455 Ca 0.04 -0.54 0.02 0.00 0.09 0.00 0.00 57.88 57.49 2x91 h LEU 455 Cb 0.78 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 2x91 h LEU 455 CO 0.06 0.81 0.46 -0.26 0.09 0.00 0.00 178.44 179.60 2x91 h PHE 456 N -0.13 0.87 0.00 1.13 0.05 -0.59 -2.08 116.94 116.18 2x91 h PHE 456 Ca 0.01 0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.82 2x91 h PHE 456 Cb 0.74 -0.29 0.00 0.00 2.00 0.00 0.00 35.95 38.40 2x91 h PHE 456 CO 0.10 0.51 0.00 0.54 -0.18 0.00 0.00 178.31 179.29 2x91 n ARG 457 N -4.63 0.41 -2.53 1.51 1.74 0.09 -4.59 116.66 108.65 2x91 n ARG 457 Ca 0.07 0.05 -0.10 0.00 -0.77 0.00 0.00 57.85 57.10 2x91 n ARG 457 Cb 0.06 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.01 2x91 n ARG 457 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2x91 n GLY 458 N 0.77 0.09 0.03 -0.13 0.00 -0.78 -4.94 105.19 100.22 2x91 n GLY 458 Ca 0.13 -0.38 0.11 0.00 0.00 0.00 0.00 46.02 45.88 2x91 n GLY 458 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2x91 n GLU 459 N -2.21 0.19 -4.59 1.61 1.02 -0.13 -4.82 120.64 111.71 2x91 n GLU 459 Ca -0.07 0.01 -0.30 0.00 -0.02 0.00 0.00 57.16 56.79 2x91 n GLU 459 Cb 0.56 -1.58 -0.17 0.00 -0.02 0.00 0.00 31.44 30.24 2x91 n GLU 459 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2x91 s VAL 460 N -3.12 1.71 0.42 2.62 1.01 -1.23 -5.04 120.40 116.78 2x91 s VAL 460 Ca 0.06 -0.78 -0.25 0.00 0.00 0.00 0.00 61.98 61.02 2x91 s VAL 460 Cb 0.15 -1.54 -0.08 0.00 0.00 0.00 0.00 36.38 34.91 2x91 s VAL 460 CO 0.77 0.48 1.25 -1.81 0.00 0.00 0.00 175.10 175.79 2x91 s ASP 461 N 0.87 6.28 0.53 3.32 1.01 -1.26 -4.91 116.67 122.50 2x91 s ASP 461 Ca -0.08 2.52 0.30 0.00 0.71 0.00 0.00 52.55 56.00 2x91 s ASP 461 Cb -0.15 -2.63 1.44 0.00 1.01 0.00 0.00 42.92 42.59 2x91 s ASP 461 CO -0.01 -0.86 1.90 0.11 0.21 0.00 0.00 175.17 176.52 2x91 h LYS 462 N 2.49 0.04 0.00 8.23 1.57 -2.00 0.27 116.57 127.17 2x91 h LYS 462 Ca -0.49 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 2x91 h LYS 462 Cb 1.25 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.55 2x91 h LYS 462 CO 0.62 0.02 0.00 0.00 -0.57 0.00 0.00 179.45 179.52 2x91 h ALA 463 N 1.58 1.00 -0.16 3.86 0.00 -2.00 -3.17 119.26 120.37 2x91 h ALA 463 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 2x91 h ALA 463 Cb 1.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.38 2x91 h ALA 463 CO -0.02 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.32 2x91 n ASN 464 N -2.92 2.54 -0.33 0.00 5.03 0.95 -4.81 115.26 115.72 2x91 n ASN 464 Ca -0.01 -2.16 -0.04 0.00 0.87 0.00 0.00 54.58 53.25 2x91 n ASN 464 Cb 0.20 -0.17 0.09 0.00 -1.02 0.00 0.00 39.78 38.88 2x91 n ASN 464 CO 0.00 0.00 0.00 -0.50 -1.83 0.00 0.00 177.26 174.93 2x91 h TRP 465 N 0.95 1.19 -0.04 3.10 4.06 -1.52 -1.51 115.95 122.17 2x91 h TRP 465 Ca 0.00 -0.01 -0.14 0.00 2.06 0.00 0.00 58.89 60.80 2x91 h TRP 465 Cb 0.70 -0.39 0.01 0.00 -1.00 0.00 0.00 29.16 28.48 2x91 h TRP 465 CO 0.13 0.80 -0.52 -0.97 -3.56 0.00 0.00 178.44 174.32 2x91 h ASN 466 N 1.23 0.53 1.06 -3.49 -1.24 -1.87 -3.06 115.58 108.76 2x91 h ASN 466 Ca 0.32 -0.70 -0.04 0.00 0.71 0.00 0.00 56.30 56.59 2x91 h ASN 466 Cb -0.03 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 38.85 2x91 h ASN 466 CO -0.06 1.16 -0.17 0.00 -1.29 0.00 0.00 177.43 177.07 2x91 h ALA 468 N 1.83 1.35 0.33 0.00 0.00 -1.29 0.17 119.26 121.65 2x91 h ALA 468 Ca -0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2x91 h ALA 468 Cb 0.75 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2x91 h ALA 468 CO 0.02 0.49 -0.16 0.35 0.00 0.00 0.00 179.25 179.95 2x91 h PHE 469 N 0.79 -0.41 -0.07 0.00 3.57 -1.32 -2.95 116.94 116.54 2x91 h PHE 469 Ca 0.19 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.60 2x91 h PHE 469 Cb 0.16 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 2x91 h PHE 469 CO 0.01 -0.11 -0.32 -1.49 -2.23 0.00 0.00 178.31 174.17 2x91 h TRP 470 N -0.70 0.15 -0.70 0.41 4.06 -1.37 -2.33 115.95 115.47 2x91 h TRP 470 Ca -0.05 -0.03 0.05 0.00 2.06 0.00 0.00 58.89 60.92 2x91 h TRP 470 Cb 0.48 -0.04 -0.05 0.00 -1.00 0.00 0.00 29.16 28.56 2x91 h TRP 470 CO 0.01 0.44 0.42 0.87 -3.56 0.00 0.00 178.44 176.62 2x91 h LYS 471 N 0.12 0.78 -0.35 0.49 1.57 -0.70 -0.73 116.57 117.75 2x91 h LYS 471 Ca 0.02 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 2x91 h LYS 471 Cb 0.62 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 2x91 h LYS 471 CO 0.05 0.51 -0.03 -0.07 -0.57 0.00 0.00 179.45 179.34 2x91 h LEU 472 N 0.80 0.63 -1.11 2.94 3.38 -1.28 0.49 115.31 121.16 2x91 h LEU 472 Ca 0.30 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2x91 h LEU 472 Cb 0.11 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 2x91 h LEU 472 CO -0.15 0.81 0.57 0.03 0.09 0.00 0.00 178.44 179.79 2x91 h ARG 473 N 0.44 1.17 0.63 1.13 2.47 -1.20 -0.85 114.38 118.16 2x91 h ARG 473 Ca 0.10 -0.08 -0.03 0.00 -1.26 0.00 0.00 59.98 58.70 2x91 h ARG 473 Cb 0.50 -0.26 0.01 0.00 -1.65 0.00 0.00 29.97 28.57 2x91 h ARG 473 CO 0.02 0.79 -0.30 0.22 0.56 0.00 0.00 179.97 181.26 2x91 h ASP 474 N 1.20 -0.72 -0.63 7.04 -0.00 -1.04 -1.36 116.42 120.91 2x91 h ASP 474 Ca 0.32 -0.01 0.10 0.00 -0.00 0.00 0.00 57.03 57.43 2x91 h ASP 474 Cb -0.11 0.19 -0.07 0.00 -0.00 0.00 0.00 39.33 39.33 2x91 h ASP 474 CO -0.07 -0.35 0.24 -0.08 -0.00 0.00 0.00 179.24 178.99 2x91 h GLU 475 N -1.14 0.42 0.07 0.28 4.81 -0.65 -0.72 114.58 117.65 2x91 h GLU 475 Ca -0.09 -0.03 -0.34 0.00 -0.13 0.00 0.00 59.36 58.78 2x91 h GLU 475 Cb 0.69 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.94 2x91 h GLU 475 CO 0.14 0.28 -1.88 0.66 -0.73 0.00 0.00 179.01 177.48 2x91 n TYR 476 N -4.98 0.98 0.05 0.92 4.01 -0.35 -4.59 117.16 113.20 2x91 n TYR 476 Ca 0.09 0.27 0.10 0.00 -0.16 0.00 0.00 57.90 58.20 2x91 n TYR 476 Cb 0.28 -1.12 -0.16 0.00 -0.31 0.00 0.00 39.34 38.04 2x91 n TYR 476 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2x91 n SER 477 N -3.78 0.38 -2.19 7.72 7.64 -0.57 -4.85 113.62 117.97 2x91 n SER 477 Ca -0.35 -0.06 -0.16 0.00 1.01 0.00 0.00 58.87 59.31 2x91 n SER 477 Cb 0.93 1.87 0.03 0.00 -1.01 0.00 0.00 64.21 66.03 2x91 n SER 477 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2x91 n GLY 478 N 1.35 -0.15 3.55 0.23 0.00 -0.28 -4.96 105.19 104.94 2x91 n GLY 478 Ca -0.03 -0.14 -0.26 0.00 0.00 0.00 0.00 46.02 45.58 2x91 n GLY 478 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2x91 s ILE 479 N -3.00 2.16 0.10 -0.61 -5.25 -1.23 -1.33 121.20 112.05 2x91 s ILE 479 Ca 0.22 -2.16 -0.17 0.00 -0.99 0.00 0.00 60.65 57.55 2x91 s ILE 479 Cb -0.10 -2.71 0.04 0.00 2.95 0.00 0.00 42.46 42.64 2x91 s ILE 479 CO 0.28 -0.16 0.41 -1.83 -1.79 0.00 0.00 174.94 171.85 2x91 s GLU 480 N -3.64 1.04 0.78 0.37 -1.05 -0.75 -3.62 118.70 111.84 2x91 s GLU 480 Ca 0.33 -0.60 -0.14 0.00 -0.15 0.00 0.00 54.97 54.42 2x91 s GLU 480 Cb 0.04 0.46 0.07 0.00 -0.44 0.00 0.00 34.13 34.26 2x91 s GLU 480 CO 0.17 -0.39 1.21 -2.14 0.95 0.00 0.00 175.26 175.05 2x91 s PRO 481 N -3.42 1.81 0.48 -4.83 0.02 -1.26 -1.05 135.00 126.74 2x91 s PRO 481 Ca 0.01 1.76 0.27 0.00 0.02 0.00 0.00 61.00 63.06 2x91 s PRO 481 Cb 0.01 -1.79 0.96 0.00 0.02 0.00 0.00 34.50 33.69 2x91 s PRO 481 CO -0.09 -2.09 1.83 -1.00 -0.33 0.00 0.00 177.00 175.32 2x91 h PRO 482 N -0.70 0.00 -5.21 5.54 0.13 -1.96 -3.44 132.00 126.37 2x91 h PRO 482 Ca -0.47 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.29 2x91 h PRO 482 Cb 1.30 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.28 2x91 h PRO 482 CO 0.47 0.12 -0.71 0.14 -0.23 0.00 0.00 178.00 177.79 2x91 s VAL 483 N -3.55 1.30 0.06 1.56 -7.23 -1.26 -5.08 120.40 106.20 2x91 s VAL 483 Ca 0.02 -2.10 -0.31 0.00 -1.81 0.00 0.00 61.98 57.79 2x91 s VAL 483 Cb 0.09 -2.01 -0.08 0.00 0.56 0.00 0.00 36.38 34.94 2x91 s VAL 483 CO 0.61 -0.62 1.64 -0.69 -0.31 0.00 0.00 175.10 175.73 2x91 s VAL 484 N -3.24 3.09 0.35 1.32 1.01 -1.26 -4.91 120.40 116.76 2x91 s VAL 484 Ca 0.21 0.53 0.08 0.00 0.00 0.00 0.00 61.98 62.79 2x91 s VAL 484 Cb 0.02 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 2x91 s VAL 484 CO 0.04 -0.00 0.23 -0.13 0.00 0.00 0.00 175.10 175.23 2x91 s ARG 485 N 2.65 2.52 0.06 2.72 1.81 0.11 -5.01 118.95 123.81 2x91 s ARG 485 Ca 0.73 -1.46 -0.00 0.00 -1.72 0.00 0.00 55.73 53.28 2x91 s ARG 485 Cb -0.39 -2.30 0.00 0.00 -0.45 0.00 0.00 34.95 31.81 2x91 s ARG 485 CO 0.32 0.06 0.09 -1.13 -0.68 0.00 0.00 175.30 173.95 2x91 n SER 486 N -1.28 -0.24 0.00 0.23 3.41 -1.26 -0.95 113.62 113.53 2x91 n SER 486 Ca -0.02 -1.35 0.13 0.00 -0.26 0.00 0.00 58.87 57.37 2x91 n SER 486 Cb 0.61 0.45 0.70 0.00 -0.26 0.00 0.00 64.21 65.71 2x91 n SER 486 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2x91 n GLU 487 N -0.11 0.62 0.23 4.33 -0.58 -1.25 -1.67 120.64 122.21 2x91 n GLU 487 Ca 0.00 0.02 0.13 0.00 -0.42 0.00 0.00 57.16 56.89 2x91 n GLU 487 Cb 0.11 -1.50 0.34 0.00 -0.57 0.00 0.00 31.44 29.81 2x91 n GLU 487 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2x91 h LYS 488 N 0.00 0.00 -6.28 3.49 1.57 -1.95 -3.45 116.57 109.94 2x91 h LYS 488 Ca 0.00 0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 58.33 2x91 h LYS 488 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2x91 h LYS 488 CO 0.00 0.05 -0.37 -0.51 -0.57 0.00 0.00 179.45 178.05 2x91 s ASP 489 N -6.07 6.11 -0.29 0.86 -0.00 -0.67 -5.04 116.67 111.58 2x91 s ASP 489 Ca 0.05 -0.06 -0.00 0.00 -0.00 0.00 0.00 52.55 52.53 2x91 s ASP 489 Cb 0.07 -1.50 0.14 0.00 -0.00 0.00 0.00 42.92 41.62 2x91 s ASP 489 CO 0.63 -0.29 0.29 0.12 -0.00 0.00 0.00 175.17 175.92 2x91 s PHE 490 N -2.11 -0.46 -0.10 4.23 5.36 -1.26 -4.72 117.98 118.92 2x91 s PHE 490 Ca 0.41 -0.17 0.22 0.00 -0.96 0.00 0.00 56.93 56.42 2x91 s PHE 490 Cb -0.09 -0.46 -0.23 0.00 -0.34 0.00 0.00 43.02 41.89 2x91 s PHE 490 CO 0.31 -0.92 0.62 -0.25 -1.46 0.00 0.00 175.22 173.52 2x91 n ASP 491 N 5.31 0.27 -0.21 6.13 8.00 -1.26 -1.00 116.55 133.79 2x91 n ASP 491 Ca -0.02 0.11 -0.00 0.00 0.71 0.00 0.00 54.79 55.59 2x91 n ASP 491 Cb 0.46 1.42 0.11 0.00 -0.02 0.00 0.00 41.12 43.09 2x91 n ASP 491 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2x91 h ALA 492 N 1.90 0.82 0.00 2.24 0.00 -1.94 -1.94 119.26 120.34 2x91 h ALA 492 Ca -0.05 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2x91 h ALA 492 Cb 1.12 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2x91 h ALA 492 CO 0.00 -0.15 0.00 -2.30 0.00 0.00 0.00 179.25 176.80 2x91 n PRO 493 N -4.96 0.25 0.09 0.00 -0.02 -1.26 -2.24 135.00 126.86 2x91 n PRO 493 Ca 0.09 0.12 0.08 0.00 -2.02 0.00 0.00 63.50 61.78 2x91 n PRO 493 Cb 0.26 -1.50 0.39 0.00 -0.02 0.00 0.00 33.50 32.63 2x91 n PRO 493 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2x91 n ALA 494 N -1.24 1.35 -2.71 3.55 0.00 -0.73 -4.03 120.51 116.71 2x91 n ALA 494 Ca 0.08 0.08 -0.36 0.00 0.00 0.00 0.00 53.44 53.23 2x91 n ALA 494 Cb 0.11 -1.26 -0.08 0.00 0.00 0.00 0.00 19.45 18.22 2x91 n ALA 494 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2x91 s LYS 495 N -3.26 4.21 0.18 0.00 2.47 -0.95 -4.90 119.74 117.49 2x91 s LYS 495 Ca 0.02 0.01 -0.21 0.00 -1.56 0.00 0.00 55.97 54.23 2x91 s LYS 495 Cb 0.07 -3.46 0.12 0.00 -1.46 0.00 0.00 37.83 33.10 2x91 s LYS 495 CO 0.24 0.18 1.59 -0.92 0.16 0.00 0.00 175.35 176.60 2x91 h TYR 496 N 6.89 -0.86 0.00 4.03 3.20 -1.89 -0.53 116.97 127.81 2x91 h TYR 496 Ca -0.40 0.07 -0.00 0.00 3.14 0.00 0.00 58.73 61.54 2x91 h TYR 496 Cb 1.16 0.46 -0.00 0.00 1.54 0.00 0.00 36.73 39.89 2x91 h TYR 496 CO 0.62 -0.37 -0.01 0.45 -1.64 0.00 0.00 178.16 177.20 2x91 h HIS 497 N -0.17 0.00 0.06 -3.82 3.86 -1.92 0.84 115.15 114.01 2x91 h HIS 497 Ca 0.23 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.28 2x91 h HIS 497 Cb 0.54 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.03 2x91 h HIS 497 CO -0.60 0.01 -0.63 0.82 0.86 0.00 0.00 177.93 178.38 2x91 h ILE 498 N 0.00 1.49 -0.33 2.45 2.04 -1.37 0.12 117.51 121.92 2x91 h ILE 498 Ca -0.00 -2.28 -0.06 0.00 1.00 0.00 0.00 64.86 63.52 2x91 h ILE 498 Cb 0.02 2.92 -0.02 0.00 -0.74 0.00 0.00 36.82 39.01 2x91 h ILE 498 CO 0.00 0.65 -0.05 0.28 0.00 0.00 0.00 178.15 179.03 2x91 h SER 499 N -0.30 0.50 -0.38 1.72 0.02 -1.08 -3.16 113.55 110.87 2x91 h SER 499 Ca -0.10 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 2x91 h SER 499 Cb 1.41 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.82 2x91 h SER 499 CO 0.12 0.61 0.00 0.00 -1.14 0.00 0.00 176.83 176.42 2x91 n ALA 500 N -2.48 2.45 -3.61 3.77 0.00 0.22 -3.78 120.51 117.09 2x91 n ALA 500 Ca 0.01 -0.86 -0.23 0.00 0.00 0.00 0.00 53.44 52.36 2x91 n ALA 500 Cb 0.28 -0.96 0.04 0.00 0.00 0.00 0.00 19.45 18.81 2x91 n ALA 500 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2x91 n ASP 501 N 1.07 -3.60 -4.29 0.00 4.64 -0.74 -4.99 116.55 108.64 2x91 n ASP 501 Ca 0.18 -0.87 -0.35 0.00 -1.38 0.00 0.00 54.79 52.38 2x91 n ASP 501 Cb 0.49 -4.05 -0.14 0.00 -1.04 0.00 0.00 41.12 36.38 2x91 n ASP 501 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 2x91 s VAL 502 N -3.55 3.16 0.29 5.18 1.01 0.34 -5.05 120.40 121.78 2x91 s VAL 502 Ca 0.25 -0.57 -0.30 0.00 0.00 0.00 0.00 61.98 61.36 2x91 s VAL 502 Cb -0.07 -2.42 -0.13 0.00 0.00 0.00 0.00 36.38 33.77 2x91 s VAL 502 CO 0.81 0.45 1.33 1.21 0.00 0.00 0.00 175.10 178.90 2x91 n GLU 503 N 4.67 2.03 -0.01 2.72 0.00 -1.26 -4.66 120.64 124.13 2x91 n GLU 503 Ca -0.19 0.72 0.07 0.00 0.00 0.00 0.00 57.16 57.76 2x91 n GLU 503 Cb 0.51 -2.32 -0.11 0.00 0.00 0.00 0.00 31.44 29.52 2x91 n GLU 503 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 2x91 n TYR 504 N 1.12 0.00 0.19 4.31 9.36 -1.26 -4.51 117.16 126.37 2x91 n TYR 504 Ca 0.08 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.44 2x91 n TYR 504 Cb 0.33 -0.28 0.71 0.00 -0.63 0.00 0.00 39.34 39.48 2x91 n TYR 504 CO 0.00 0.00 0.00 1.25 0.22 0.00 0.00 176.86 178.33 2x91 h LEU 505 N 0.00 0.00 -1.54 2.98 5.85 -1.92 -0.11 115.31 120.57 2x91 h LEU 505 Ca 0.00 0.00 0.29 0.00 0.84 0.00 0.00 57.88 59.01 2x91 h LEU 505 Cb 0.61 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.56 2x91 h LEU 505 CO 0.00 0.00 0.71 0.08 -0.34 0.00 0.00 178.44 178.89 2x91 h ARG 506 N 0.00 0.27 0.17 1.25 0.11 -1.89 -0.52 114.38 113.76 2x91 h ARG 506 Ca 0.08 -0.02 -0.31 0.00 0.10 0.00 0.00 59.98 59.84 2x91 h ARG 506 Cb 0.34 -0.06 0.03 0.00 1.11 0.00 0.00 29.97 31.39 2x91 h ARG 506 CO -0.00 0.18 -1.32 1.88 0.10 0.00 0.00 179.97 180.81 2x91 h TYR 507 N 0.28 0.89 0.08 4.08 0.05 -1.33 0.39 116.97 121.41 2x91 h TYR 507 Ca 0.59 -0.60 0.01 0.00 0.05 0.00 0.00 58.73 58.77 2x91 h TYR 507 Cb 1.72 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 39.39 2x91 h TYR 507 CO -0.00 1.46 -0.11 1.25 -1.05 0.00 0.00 178.16 179.70 2x91 h LEU 508 N 0.19 -0.30 -0.26 3.88 5.85 -1.42 0.06 115.31 123.31 2x91 h LEU 508 Ca -0.20 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.61 2x91 h LEU 508 Cb 2.00 0.11 -0.05 0.00 0.37 0.00 0.00 40.66 43.09 2x91 h LEU 508 CO 0.24 -0.17 -0.07 0.58 -0.34 0.00 0.00 178.44 178.68 2x91 h VAL 509 N -0.23 0.72 -0.32 1.05 2.07 -1.15 -2.57 116.25 115.83 2x91 h VAL 509 Ca 0.01 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.59 2x91 h VAL 509 Cb 0.24 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 30.68 2x91 h VAL 509 CO -0.05 0.00 -0.00 -1.28 0.02 0.00 0.00 177.57 176.25 2x91 h SER 510 N -0.01 -0.13 0.41 0.57 0.87 -0.69 -0.05 113.55 114.52 2x91 h SER 510 Ca 0.13 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.75 2x91 h SER 510 Cb 0.20 0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.29 2x91 h SER 510 CO -0.28 -0.03 -0.07 -0.26 -0.53 0.00 0.00 176.83 175.67 2x91 h PHE 511 N 0.09 0.00 0.00 2.24 0.05 -0.72 0.16 116.94 118.76 2x91 h PHE 511 Ca 0.15 0.00 -0.03 0.00 3.82 0.00 0.00 57.97 61.92 2x91 h PHE 511 Cb 0.21 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.15 2x91 h PHE 511 CO -0.23 0.07 -0.18 0.82 -0.18 0.00 0.00 178.31 178.60 2x91 h ILE 512 N 0.00 0.85 0.00 -0.55 2.04 -1.00 -3.40 117.51 115.45 2x91 h ILE 512 Ca -0.00 -1.69 -0.05 0.00 1.00 0.00 0.00 64.86 64.12 2x91 h ILE 512 Cb 0.29 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 2x91 h ILE 512 CO 0.01 0.29 -0.23 0.16 0.00 0.00 0.00 178.15 178.38 2x91 h ILE 513 N -1.00 0.49 -0.01 -0.67 3.07 -0.79 -2.93 117.51 115.67 2x91 h ILE 513 Ca -0.04 -1.27 0.00 0.00 1.55 0.00 0.00 64.86 65.10 2x91 h ILE 513 Cb 0.61 1.91 -0.00 0.00 -0.27 0.00 0.00 36.82 39.06 2x91 h ILE 513 CO -0.02 0.23 0.01 0.06 -1.05 0.00 0.00 178.15 177.37 2x91 h GLN 514 N 0.00 0.00 0.03 0.16 3.07 -0.90 -0.48 115.11 116.99 2x91 h GLN 514 Ca -0.00 0.00 -0.21 0.00 0.09 0.00 0.00 58.65 58.52 2x91 h GLN 514 Cb 0.89 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.43 2x91 h GLN 514 CO 0.03 0.00 -0.98 0.74 0.09 0.00 0.00 178.83 178.71 2x91 h PHE 515 N 0.00 0.23 -0.32 0.06 0.04 -1.73 0.74 116.94 115.96 2x91 h PHE 515 Ca 0.00 -0.14 -0.01 0.00 2.80 0.00 0.00 57.97 60.62 2x91 h PHE 515 Cb 0.02 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 2x91 h PHE 515 CO 0.00 1.03 0.15 1.96 -0.60 0.00 0.00 178.31 180.84 2x91 h GLN 516 N 0.06 0.46 -0.28 1.51 4.20 -1.31 -0.86 115.11 118.90 2x91 h GLN 516 Ca -0.05 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 2x91 h GLN 516 Cb 1.67 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 29.36 2x91 h GLN 516 CO 0.14 0.44 0.11 0.74 -0.67 0.00 0.00 178.83 179.60 2x91 h PHE 517 N 0.37 0.42 -0.19 2.96 0.05 -1.12 -2.63 116.94 116.80 2x91 h PHE 517 Ca 0.11 -0.03 -0.01 0.00 3.82 0.00 0.00 57.97 61.86 2x91 h PHE 517 Cb 0.14 -0.13 -0.01 0.00 2.00 0.00 0.00 35.95 37.95 2x91 h PHE 517 CO -0.01 0.41 0.09 -0.92 -0.18 0.00 0.00 178.31 177.70 2x91 h TYR 518 N 0.30 0.28 -0.35 -0.55 3.20 -0.79 -0.38 116.97 118.67 2x91 h TYR 518 Ca 0.09 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.97 2x91 h TYR 518 Cb 0.17 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.33 2x91 h TYR 518 CO -0.01 0.29 0.19 -0.22 -1.64 0.00 0.00 178.16 176.77 2x91 h LYS 519 N 0.18 0.37 -0.38 1.82 3.64 -1.19 0.26 116.57 121.27 2x91 h LYS 519 Ca 0.07 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.34 2x91 h LYS 519 Cb 0.12 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 2x91 h LYS 519 CO -0.01 0.24 -0.11 0.77 -2.27 0.00 0.00 179.45 178.08 2x91 h SER 520 N 0.38 0.75 -0.93 4.20 0.02 -1.37 -0.62 113.55 115.97 2x91 h SER 520 Ca 0.15 -0.37 -0.01 0.00 -0.84 0.00 0.00 61.79 60.72 2x91 h SER 520 Cb 0.04 -0.20 -0.05 0.00 0.14 0.00 0.00 62.40 62.33 2x91 h SER 520 CO -0.09 0.95 0.56 0.00 -1.14 0.00 0.00 176.83 177.11 2x91 h ALA 521 N 0.82 1.23 -0.44 3.77 0.00 -0.94 -0.00 119.26 123.70 2x91 h ALA 521 Ca 0.09 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2x91 h ALA 521 Cb 0.63 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2x91 h ALA 521 CO 0.04 0.66 -0.05 0.00 0.00 0.00 0.00 179.25 179.90 2x91 h ILE 523 N 0.65 1.01 -0.57 0.00 2.04 -0.85 0.15 117.51 119.96 2x91 h ILE 523 Ca 0.12 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.93 2x91 h ILE 523 Cb 0.57 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 2x91 h ILE 523 CO 0.03 0.03 0.38 0.11 0.00 0.00 0.00 178.15 178.70 2x91 h LYS 524 N 0.15 0.75 0.00 2.37 1.57 -0.88 -1.80 116.57 118.73 2x91 h LYS 524 Ca 0.05 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2x91 h LYS 524 Cb -0.00 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.14 2x91 h LYS 524 CO -0.02 0.50 0.00 0.00 -0.57 0.00 0.00 179.45 179.36 2x91 n ALA 525 N -2.45 2.42 -1.17 3.86 0.00 -0.01 -4.73 120.51 118.43 2x91 n ALA 525 Ca 0.05 -0.14 -0.06 0.00 0.00 0.00 0.00 53.44 53.30 2x91 n ALA 525 Cb 0.05 -1.46 -0.03 0.00 0.00 0.00 0.00 19.45 18.01 2x91 n ALA 525 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x91 n GLY 526 N 1.07 0.82 0.00 0.00 0.00 -0.68 -4.91 105.19 101.49 2x91 n GLY 526 Ca 0.14 -0.52 0.11 0.00 0.00 0.00 0.00 46.02 45.75 2x91 n GLY 526 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2x91 n GLN 527 N -2.47 0.02 -3.83 1.61 1.13 0.50 -4.86 117.38 109.47 2x91 n GLN 527 Ca -0.06 -0.00 -0.19 0.00 -1.94 0.00 0.00 57.00 54.81 2x91 n GLN 527 Cb 0.24 -1.50 -0.17 0.00 0.11 0.00 0.00 30.24 28.92 2x91 n GLN 527 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 2x91 s TYR 528 N -3.01 0.35 -0.06 1.08 5.04 -1.01 -4.54 117.35 115.20 2x91 s TYR 528 Ca 0.09 0.02 -0.01 0.00 -2.44 0.00 0.00 57.07 54.72 2x91 s TYR 528 Cb 0.17 -0.52 0.03 0.00 0.35 0.00 0.00 41.96 41.98 2x91 s TYR 528 CO 0.80 -0.19 0.01 0.34 -1.34 0.00 0.00 175.55 175.16 2x91 s ASP 529 N 1.52 1.44 0.39 4.32 3.68 -1.14 -4.40 116.67 122.48 2x91 s ASP 529 Ca -0.03 -0.06 0.28 0.00 2.13 0.00 0.00 52.55 54.87 2x91 s ASP 529 Cb -0.13 -0.39 1.32 0.00 -1.45 0.00 0.00 42.92 42.27 2x91 s ASP 529 CO -0.03 -0.19 1.84 1.55 0.13 0.00 0.00 175.17 178.47 2x91 h PRO 530 N 8.25 0.00 -0.10 4.34 0.13 -2.00 -2.35 132.00 140.27 2x91 h PRO 530 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 2x91 h PRO 530 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2x91 h PRO 530 CO 0.26 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.78 2x91 n ASP 531 N -2.51 2.74 -4.25 1.44 8.00 -1.26 -4.89 116.55 115.83 2x91 n ASP 531 Ca -0.00 -1.83 -0.35 0.00 0.71 0.00 0.00 54.79 53.31 2x91 n ASP 531 Cb 0.16 -0.05 -0.14 0.00 -0.02 0.00 0.00 41.12 41.07 2x91 n ASP 531 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2x91 s ASN 532 N -1.55 4.55 0.55 -2.24 3.84 -0.89 -4.99 114.94 114.22 2x91 s ASN 532 Ca 0.25 -0.80 0.28 0.00 0.21 0.00 0.00 52.86 52.80 2x91 s ASN 532 Cb 0.17 -1.73 1.62 0.00 -0.55 0.00 0.00 41.25 40.75 2x91 s ASN 532 CO 0.25 -0.14 2.15 1.62 -2.79 0.00 0.00 177.10 178.19 2x91 h VAL 533 N 6.04 0.55 -0.00 -5.21 3.04 -1.90 -2.14 116.25 116.63 2x91 h VAL 533 Ca -0.33 -0.30 0.00 0.00 -1.01 0.00 0.00 66.70 65.06 2x91 h VAL 533 Cb 1.12 1.19 0.00 0.00 -2.01 0.00 0.00 31.29 31.59 2x91 h VAL 533 CO 0.58 0.07 -0.18 -0.62 -1.01 0.00 0.00 177.57 176.41 2x91 n GLU 534 N -3.73 0.10 -3.24 4.17 -0.58 -1.26 -4.26 120.64 111.84 2x91 n GLU 534 Ca -0.02 -0.03 -0.26 0.00 -0.42 0.00 0.00 57.16 56.42 2x91 n GLU 534 Cb 0.17 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.48 2x91 n GLU 534 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2x91 n LEU 535 N -1.42 3.53 -4.83 -4.62 4.77 -0.80 -5.09 117.00 108.54 2x91 n LEU 535 Ca 0.08 -5.43 -0.33 0.00 -0.03 0.00 0.00 56.01 50.30 2x91 n LEU 535 Cb 0.33 -0.45 -0.06 0.00 -2.33 0.00 0.00 43.42 40.91 2x91 n LEU 535 CO 0.29 2.16 0.65 -2.16 -1.33 0.00 0.00 177.39 177.00 2x91 s PRO 536 N -2.67 4.16 0.34 3.23 0.04 -1.26 -2.87 135.00 135.96 2x91 s PRO 536 Ca 0.42 1.06 0.02 0.00 0.04 0.00 0.00 61.00 62.55 2x91 s PRO 536 Cb 0.20 -2.18 0.60 0.00 0.04 0.00 0.00 34.50 33.16 2x91 s PRO 536 CO -0.06 -0.08 1.96 1.25 0.04 0.00 0.00 177.00 180.11 2x91 h LEU 537 N 1.68 0.70 0.00 -3.56 5.85 -1.92 -2.61 115.31 115.46 2x91 h LEU 537 Ca -0.48 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.19 2x91 h LEU 537 Cb 1.18 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.03 2x91 h LEU 537 CO 0.61 0.57 0.00 -0.90 -0.34 0.00 0.00 178.44 178.38 2x91 n ASP 538 N -4.39 0.00 -0.43 1.25 5.75 -1.26 -2.59 116.55 114.87 2x91 n ASP 538 Ca 0.05 -0.98 0.06 0.00 -0.01 0.00 0.00 54.79 53.91 2x91 n ASP 538 Cb 0.10 0.00 0.10 0.00 -1.03 0.00 0.00 41.12 40.29 2x91 n ASP 538 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2x91 n ASN 539 N -0.90 1.48 -4.72 -1.12 5.15 -0.98 -4.82 115.26 109.34 2x91 n ASN 539 Ca 0.16 -2.84 -0.42 0.00 -0.60 0.00 0.00 54.58 50.88 2x91 n ASN 539 Cb 0.07 -0.37 -0.03 0.00 -0.53 0.00 0.00 39.78 38.91 2x91 n ASN 539 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2x91 s ASP 541 N 0.55 3.59 0.00 0.00 3.68 -1.26 -4.40 116.67 118.83 2x91 s ASP 541 Ca 0.54 -0.95 0.17 0.00 2.13 0.00 0.00 52.55 54.44 2x91 s ASP 541 Cb -0.28 -1.40 0.55 0.00 -1.45 0.00 0.00 42.92 40.33 2x91 s ASP 541 CO 0.31 -0.11 1.42 2.30 0.13 0.00 0.00 175.17 179.23 2x91 n ILE 542 N 4.59 0.38 -1.67 4.11 -5.35 -1.26 -4.93 119.36 115.23 2x91 n ILE 542 Ca -0.17 -0.46 -0.44 0.00 -0.27 0.00 0.00 62.75 61.41 2x91 n ILE 542 Cb 0.46 0.37 -0.02 0.00 -1.74 0.00 0.00 39.64 38.71 2x91 n ILE 542 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2x91 n TYR 543 N 0.56 2.10 -0.92 4.28 9.36 -1.26 -2.02 117.16 129.26 2x91 n TYR 543 Ca 0.15 0.50 0.00 0.00 3.32 0.00 0.00 57.90 61.87 2x91 n TYR 543 Cb 0.35 -2.42 0.00 0.00 -0.63 0.00 0.00 39.34 36.64 2x91 n TYR 543 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2x91 n GLY 544 N 1.65 0.70 3.50 2.98 0.00 -1.24 -4.98 105.19 107.80 2x91 n GLY 544 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 2x91 n GLY 544 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2x91 s SER 545 N -2.61 6.31 0.33 1.61 0.15 -0.86 -4.73 113.70 113.90 2x91 s SER 545 Ca 0.00 -0.52 0.13 0.00 0.70 0.00 0.00 55.95 56.26 2x91 s SER 545 Cb 0.00 -2.38 0.55 0.00 -1.71 0.00 0.00 66.02 62.48 2x91 s SER 545 CO 0.00 -1.08 1.71 0.00 1.20 0.00 0.00 173.24 175.08 2x91 h ALA 546 N 9.17 1.12 -0.45 5.45 0.00 -1.79 -2.26 119.26 130.50 2x91 h ALA 546 Ca -0.26 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.15 2x91 h ALA 546 Cb 1.08 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 2x91 h ALA 546 CO 1.03 0.61 0.07 0.00 0.00 0.00 0.00 179.25 180.96 2x91 h ALA 547 N 1.51 0.60 -0.34 0.00 0.00 -1.89 0.84 119.26 119.98 2x91 h ALA 547 Ca -0.00 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.52 2x91 h ALA 547 Cb 0.90 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2x91 h ALA 547 CO 0.06 0.32 -0.40 0.00 0.00 0.00 0.00 179.25 179.24 2x91 h ALA 548 N 0.95 0.65 -0.69 0.00 0.00 -1.81 -3.06 119.26 115.30 2x91 h ALA 548 Ca 0.14 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 2x91 h ALA 548 Cb 0.39 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2x91 h ALA 548 CO 0.01 0.67 0.36 0.78 0.00 0.00 0.00 179.25 181.07 2x91 h GLY 549 N 0.86 1.03 1.01 0.00 0.00 -1.27 -2.42 103.07 102.27 2x91 h GLY 549 Ca 0.05 -0.46 0.01 0.00 0.00 0.00 0.00 47.33 46.93 2x91 h GLY 549 CO 0.09 0.44 0.52 0.00 0.00 0.00 0.00 176.54 177.59 2x91 h ALA 550 N 1.43 1.00 -0.52 3.60 0.00 -0.74 0.65 119.26 124.67 2x91 h ALA 550 Ca 0.24 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2x91 h ALA 550 Cb 0.05 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 2x91 h ALA 550 CO -0.04 0.42 0.15 0.00 0.00 0.00 0.00 179.25 179.79 2x91 h ALA 551 N 1.28 0.69 -0.45 0.00 0.00 -1.40 -0.87 119.26 118.51 2x91 h ALA 551 Ca 0.29 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2x91 h ALA 551 Cb -0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 2x91 h ALA 551 CO -0.06 0.36 0.29 0.74 0.00 0.00 0.00 179.25 180.58 2x91 h PHE 552 N 0.72 0.57 -0.14 0.00 0.04 -1.07 -2.36 116.94 114.69 2x91 h PHE 552 Ca 0.17 0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.96 2x91 h PHE 552 Cb 0.29 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.23 2x91 h PHE 552 CO 0.02 0.37 0.04 1.25 -0.60 0.00 0.00 178.31 179.39 2x91 h HIS 553 N 0.60 0.07 -0.82 -0.55 2.76 -0.63 0.12 115.15 116.70 2x91 h HIS 553 Ca 0.16 0.01 0.13 0.00 -2.20 0.00 0.00 60.37 58.47 2x91 h HIS 553 Cb -0.05 -0.01 -0.09 0.00 1.55 0.00 0.00 27.41 28.81 2x91 h HIS 553 CO -0.04 0.03 0.43 -0.91 -1.30 0.00 0.00 177.93 176.15 2x91 h ASN 554 N 0.11 0.55 0.01 3.26 2.35 -1.02 -1.98 115.58 118.85 2x91 h ASN 554 Ca 0.06 0.08 -0.00 0.00 -0.55 0.00 0.00 56.30 55.89 2x91 h ASN 554 Cb 0.04 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.40 2x91 h ASN 554 CO -0.07 0.27 -0.00 -0.03 -1.65 0.00 0.00 177.43 175.94 2x91 h MET 555 N 0.66 -0.01 -0.21 0.81 4.05 -1.15 -3.38 114.93 115.70 2x91 h MET 555 Ca 0.43 0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 59.80 2x91 h MET 555 Cb 0.54 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.33 2x91 h MET 555 CO -0.32 0.49 -0.08 -0.07 0.23 0.00 0.00 176.91 177.16 2x91 h LEU 556 N -0.99 0.30 -2.37 3.39 3.38 -0.77 -2.41 115.31 115.84 2x91 h LEU 556 Ca -0.00 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2x91 h LEU 556 Cb 0.51 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 2x91 h LEU 556 CO 0.00 0.43 -0.00 0.77 0.09 0.00 0.00 178.44 179.72 2x91 h SER 557 N 0.31 0.00 0.72 -0.43 4.64 -1.52 -2.21 113.55 115.06 2x91 h SER 557 Ca 0.07 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.30 2x91 h SER 557 Cb 0.35 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 2x91 h SER 557 CO 0.02 0.00 -0.39 0.24 -0.87 0.00 0.00 176.83 175.84 2x91 h MET 558 N 0.00 0.00 0.00 4.77 2.86 -1.60 -3.42 114.93 117.54 2x91 h MET 558 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2x91 h MET 558 Cb 0.21 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.87 2x91 h MET 558 CO 0.00 0.39 0.00 0.41 1.06 0.00 0.00 176.91 178.77 2x91 n GLY 559 N 0.08 3.22 1.59 8.32 0.00 -0.83 -1.62 105.19 115.94 2x91 n GLY 559 Ca -0.01 -0.06 -0.04 0.00 0.00 0.00 0.00 46.02 45.91 2x91 n GLY 559 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x91 n ALA 560 N 10.10 4.29 0.27 4.61 0.00 -0.28 -3.37 120.51 136.13 2x91 n ALA 560 Ca 0.00 -2.59 0.15 0.00 0.00 0.00 0.00 53.44 51.00 2x91 n ALA 560 Cb 0.00 -1.04 0.75 0.00 0.00 0.00 0.00 19.45 19.16 2x91 n ALA 560 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2x91 h SER 561 N 1.91 0.00 -4.64 0.00 4.64 -1.52 -3.44 113.55 110.50 2x91 h SER 561 Ca 0.24 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.28 2x91 h SER 561 Cb 2.05 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.95 2x91 h SER 561 CO 0.59 0.09 -0.73 -0.54 -0.87 0.00 0.00 176.83 175.37 2x91 s LYS 562 N -3.97 0.68 0.54 4.77 -0.14 -1.26 -4.99 119.74 115.36 2x91 s LYS 562 Ca -0.02 -0.98 -0.21 0.00 -1.36 0.00 0.00 55.97 53.40 2x91 s LYS 562 Cb 0.12 -0.35 -0.06 0.00 -1.68 0.00 0.00 37.83 35.85 2x91 s LYS 562 CO 0.56 0.05 1.09 -2.30 -0.76 0.00 0.00 175.35 173.98 2x91 n PRO 563 N 0.93 1.26 0.04 -1.68 -0.02 -1.26 -4.75 135.00 129.50 2x91 n PRO 563 Ca -0.19 0.47 0.16 0.00 -2.02 0.00 0.00 63.50 61.92 2x91 n PRO 563 Cb 0.57 -2.25 0.64 0.00 -0.02 0.00 0.00 33.50 32.44 2x91 n PRO 563 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 2x91 h TRP 564 N 1.05 0.09 0.00 6.00 5.08 -1.91 -0.38 115.95 125.87 2x91 h TRP 564 Ca -0.48 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.48 2x91 h TRP 564 Cb 1.34 -0.03 -0.00 0.00 -3.00 0.00 0.00 29.16 27.47 2x91 h TRP 564 CO 0.41 0.04 -0.06 -1.35 -1.28 0.00 0.00 178.44 176.21 2x91 h PRO 565 N 0.08 0.00 -0.05 0.12 0.11 -1.90 -0.37 132.00 129.98 2x91 h PRO 565 Ca 0.21 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.17 2x91 h PRO 565 Cb 0.72 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.82 2x91 h PRO 565 CO -0.02 0.06 -0.63 -0.44 -0.21 0.00 0.00 178.00 176.75 2x91 h ASP 566 N 0.00 0.23 -0.24 -2.05 3.45 -1.40 -1.39 116.42 115.03 2x91 h ASP 566 Ca -0.00 -0.14 -0.14 0.00 0.43 0.00 0.00 57.03 57.18 2x91 h ASP 566 Cb 0.12 -0.07 -0.00 0.00 -0.56 0.00 0.00 39.33 38.82 2x91 h ASP 566 CO 0.01 0.81 -0.40 0.00 -1.57 0.00 0.00 179.24 178.08 2x91 h ALA 567 N 1.19 0.37 -0.67 3.45 0.00 -1.26 -1.96 119.26 120.38 2x91 h ALA 567 Ca -0.01 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 2x91 h ALA 567 Cb 1.15 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 2x91 h ALA 567 CO 0.10 0.48 0.40 1.25 0.00 0.00 0.00 179.25 181.48 2x91 h LEU 568 N 0.42 0.81 -1.28 0.00 5.85 -1.12 -2.74 115.31 117.25 2x91 h LEU 568 Ca 0.02 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 2x91 h LEU 568 Cb 1.00 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.79 2x91 h LEU 568 CO 0.09 0.63 0.35 -0.08 -0.34 0.00 0.00 178.44 179.09 2x91 h GLU 569 N 0.92 0.84 0.00 1.25 4.81 0.03 -1.05 114.58 121.38 2x91 h GLU 569 Ca 0.24 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.35 2x91 h GLU 569 Cb -0.03 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 2x91 h GLU 569 CO -0.05 0.61 -0.18 0.00 -0.73 0.00 0.00 179.01 178.66 2x91 h ALA 570 N 1.53 1.41 0.01 2.92 0.00 -1.07 0.37 119.26 124.43 2x91 h ALA 570 Ca 0.22 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2x91 h ALA 570 Cb 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2x91 h ALA 570 CO -0.04 0.23 -0.00 0.35 0.00 0.00 0.00 179.25 179.78 2x91 h PHE 571 N 0.00 -0.01 0.00 0.00 3.57 -0.96 -3.41 116.94 116.13 2x91 h PHE 571 Ca -0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2x91 h PHE 571 Cb 0.39 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.14 2x91 h PHE 571 CO 0.00 0.40 -0.18 0.27 -2.23 0.00 0.00 178.31 176.57 2x91 n ASN 572 N -4.72 0.02 0.00 0.41 0.23 -0.74 -4.84 115.26 105.63 2x91 n ASN 572 Ca -0.04 -1.37 0.00 0.00 -0.53 0.00 0.00 54.58 52.64 2x91 n ASN 572 Cb 0.20 -0.07 0.00 0.00 -2.08 0.00 0.00 39.78 37.83 2x91 n ASN 572 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2x91 n GLY 573 N -0.01 1.35 3.90 4.83 0.00 0.12 -5.00 105.19 110.38 2x91 n GLY 573 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 2x91 n GLY 573 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x91 s GLU 574 N -0.04 3.64 0.00 1.61 2.02 -1.26 -4.81 118.70 119.86 2x91 s GLU 574 Ca 0.00 0.03 0.00 0.00 0.02 0.00 0.00 54.97 55.02 2x91 s GLU 574 Cb 0.00 -2.63 0.00 0.00 0.10 0.00 0.00 34.13 31.60 2x91 s GLU 574 CO 0.00 0.19 0.34 0.54 0.02 0.00 0.00 175.26 176.36 2x91 n ARG 575 N -0.99 -0.64 -5.07 1.61 1.74 -1.26 -1.15 116.66 110.89 2x91 n ARG 575 Ca -0.01 -0.34 -0.30 0.00 -0.77 0.00 0.00 57.85 56.42 2x91 n ARG 575 Cb 0.54 -0.84 -0.17 0.00 -1.02 0.00 0.00 32.46 30.97 2x91 n ARG 575 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2x91 s ILE 576 N -0.01 1.81 0.02 0.55 1.01 -1.26 -4.64 121.20 118.69 2x91 s ILE 576 Ca 0.00 -0.90 -0.30 0.00 0.00 0.00 0.00 60.65 59.45 2x91 s ILE 576 Cb 0.00 -1.56 -0.06 0.00 0.01 0.00 0.00 42.46 40.84 2x91 s ILE 576 CO 0.00 0.51 1.46 -0.32 0.00 0.00 0.00 174.94 176.58 2x91 s MET 577 N 0.21 4.27 -0.02 2.79 -2.45 -1.26 -5.02 119.30 117.83 2x91 s MET 577 Ca -0.12 2.05 -0.03 0.00 -1.25 0.00 0.00 55.69 56.35 2x91 s MET 577 Cb -0.16 -3.56 0.00 0.00 1.25 0.00 0.00 34.83 32.37 2x91 s MET 577 CO 0.06 -0.60 0.07 0.45 1.05 0.00 0.00 175.02 176.04 2x91 s SER 578 N 1.95 -0.04 0.00 1.11 0.15 -1.26 -5.02 113.70 110.59 2x91 s SER 578 Ca 0.66 0.06 0.21 0.00 0.70 0.00 0.00 55.95 57.58 2x91 s SER 578 Cb -0.34 0.14 0.91 0.00 -1.71 0.00 0.00 66.02 65.03 2x91 s SER 578 CO 0.28 -0.07 1.63 0.61 1.20 0.00 0.00 173.24 176.88 2x91 n GLY 579 N 2.80 -0.15 0.21 9.45 0.00 -1.26 -4.30 105.19 111.94 2x91 n GLY 579 Ca -0.14 -0.32 -0.05 0.00 0.00 0.00 0.00 46.02 45.50 2x91 n GLY 579 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2x91 h LYS 580 N 1.50 0.54 -0.37 1.61 3.64 -1.96 -2.44 116.57 119.10 2x91 h LYS 580 Ca 0.00 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.27 2x91 h LYS 580 Cb 0.33 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 2x91 h LYS 580 CO 0.00 0.36 -0.08 0.00 -2.27 0.00 0.00 179.45 177.46 2x91 h ALA 581 N 1.25 0.51 -0.62 5.00 0.00 -1.90 -0.45 119.26 123.05 2x91 h ALA 581 Ca 0.21 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 2x91 h ALA 581 Cb 0.07 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2x91 h ALA 581 CO -0.12 0.36 0.08 0.97 0.00 0.00 0.00 179.25 180.54 2x91 h ILE 582 N 0.52 1.26 -0.34 0.00 2.10 -1.82 -1.52 117.51 117.70 2x91 h ILE 582 Ca 0.10 -1.04 -0.10 0.00 1.08 0.00 0.00 64.86 64.89 2x91 h ILE 582 Cb 0.59 0.70 -0.01 0.00 -1.09 0.00 0.00 36.82 37.00 2x91 h ILE 582 CO 0.03 0.39 -0.22 0.00 -1.08 0.00 0.00 178.15 177.27 2x91 h ALA 583 N 1.10 0.98 -0.28 0.18 0.00 -1.26 -2.57 119.26 117.42 2x91 h ALA 583 Ca 0.19 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2x91 h ALA 583 Cb 0.45 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2x91 h ALA 583 CO 0.02 0.60 0.11 1.49 0.00 0.00 0.00 179.25 181.47 2x91 h GLU 584 N 0.57 0.42 -0.47 0.00 4.81 -0.87 -0.61 114.58 118.44 2x91 h GLU 584 Ca 0.08 -0.07 0.07 0.00 -0.13 0.00 0.00 59.36 59.30 2x91 h GLU 584 Cb 0.69 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.95 2x91 h GLU 584 CO 0.05 0.44 0.15 -0.92 -0.73 0.00 0.00 179.01 178.00 2x91 h TYR 585 N 0.30 0.26 -0.02 0.92 3.20 -1.10 -2.96 116.97 117.58 2x91 h TYR 585 Ca 0.09 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.99 2x91 h TYR 585 Cb 0.18 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.40 2x91 h TYR 585 CO -0.01 0.08 -0.13 1.19 -1.64 0.00 0.00 178.16 177.65 2x91 n PHE 586 N -5.03 0.00 -0.24 -3.82 3.72 -0.98 -4.48 117.46 106.63 2x91 n PHE 586 Ca 0.04 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.50 2x91 n PHE 586 Cb 0.19 -0.04 0.17 0.00 -0.94 0.00 0.00 39.48 38.87 2x91 n PHE 586 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 2x91 h GLU 587 N 2.36 0.26 -0.67 -1.08 4.57 -0.93 0.91 114.58 120.01 2x91 h GLU 587 Ca 0.00 -0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.20 2x91 h GLU 587 Cb 0.61 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.10 2x91 h GLU 587 CO 0.00 0.17 0.44 -1.35 -1.18 0.00 0.00 179.01 177.10 2x91 h PRO 588 N 0.27 0.78 -0.31 0.92 0.11 -1.81 -1.79 132.00 130.17 2x91 h PRO 588 Ca 0.41 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.40 2x91 h PRO 588 Cb 0.68 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 2x91 h PRO 588 CO -0.50 0.52 -0.09 1.25 -0.21 0.00 0.00 178.00 178.97 2x91 h LEU 589 N 0.81 0.61 -0.55 2.35 5.85 -1.22 -2.75 115.31 120.41 2x91 h LEU 589 Ca 0.27 -0.37 0.04 0.00 0.84 0.00 0.00 57.88 58.65 2x91 h LEU 589 Cb 0.06 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 2x91 h LEU 589 CO -0.07 0.84 0.30 -0.09 -0.34 0.00 0.00 178.44 179.08 2x91 h ARG 590 N 0.37 0.56 -0.15 1.25 2.43 -0.53 0.20 114.38 118.52 2x91 h ARG 590 Ca 0.08 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2x91 h ARG 590 Cb 0.59 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 2x91 h ARG 590 CO 0.03 0.37 0.08 0.28 -1.51 0.00 0.00 179.97 179.23 2x91 h VAL 591 N 0.58 1.10 -0.43 0.20 2.07 -1.37 -1.94 116.25 116.45 2x91 h VAL 591 Ca 0.24 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 2x91 h VAL 591 Cb 0.11 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 2x91 h VAL 591 CO -0.14 0.09 0.17 -0.25 0.02 0.00 0.00 177.57 177.46 2x91 h TRP 592 N 0.14 0.66 -0.24 1.57 7.01 -1.15 -3.11 115.95 120.84 2x91 h TRP 592 Ca 0.05 -0.05 -0.12 0.00 2.11 0.00 0.00 58.89 60.88 2x91 h TRP 592 Cb 0.08 -0.20 -0.00 0.00 -2.10 0.00 0.00 29.16 26.94 2x91 h TRP 592 CO -0.04 0.58 -0.32 1.25 -2.79 0.00 0.00 178.44 177.12 2x91 h LEU 593 N 0.56 0.69 -0.51 0.65 5.85 -0.53 -0.10 115.31 121.91 2x91 h LEU 593 Ca 0.14 -0.50 0.07 0.00 0.84 0.00 0.00 57.88 58.43 2x91 h LEU 593 Cb 0.20 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 40.97 2x91 h LEU 593 CO -0.01 1.06 0.18 -0.33 -0.34 0.00 0.00 178.44 179.00 2x91 h GLU 594 N 0.34 0.35 -0.57 1.25 5.08 -1.44 0.10 114.58 119.70 2x91 h GLU 594 Ca 0.03 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.26 2x91 h GLU 594 Cb 0.90 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 2x91 h GLU 594 CO 0.07 0.23 -0.08 0.00 -1.00 0.00 0.00 179.01 178.24 2x91 h ALA 595 N 1.34 0.77 -0.66 3.43 0.00 -1.45 -2.29 119.26 120.41 2x91 h ALA 595 Ca 0.25 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 2x91 h ALA 595 Cb 0.27 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2x91 h ALA 595 CO -0.25 0.67 0.09 1.49 0.00 0.00 0.00 179.25 181.25 2x91 h GLU 596 N 0.94 1.10 -0.43 0.00 4.57 -0.48 -0.11 114.58 120.18 2x91 h GLU 596 Ca 0.15 -0.31 -0.09 0.00 -1.18 0.00 0.00 59.36 57.94 2x91 h GLU 596 Cb 0.65 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.10 2x91 h GLU 596 CO 0.04 1.02 -0.09 -0.91 -1.18 0.00 0.00 179.01 177.90 2x91 h ASN 597 N 1.02 0.74 -0.22 1.04 2.35 -0.72 -1.62 115.58 118.18 2x91 h ASN 597 Ca 0.20 -0.21 -0.06 0.00 -0.55 0.00 0.00 56.30 55.67 2x91 h ASN 597 Cb 0.47 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 2x91 h ASN 597 CO 0.02 0.86 -0.11 0.40 -1.65 0.00 0.00 177.43 176.95 2x91 h ILE 598 N 0.69 1.30 -0.90 2.81 2.04 -1.24 0.11 117.51 122.32 2x91 h ILE 598 Ca 0.12 -1.18 0.12 0.00 1.00 0.00 0.00 64.86 64.92 2x91 h ILE 598 Cb 0.55 1.60 -0.08 0.00 -0.74 0.00 0.00 36.82 38.15 2x91 h ILE 598 CO 0.03 0.36 0.52 0.50 0.00 0.00 0.00 178.15 179.57 2x91 h LYS 599 N 0.18 0.79 -0.70 2.37 3.64 -0.80 -2.45 116.57 119.60 2x91 h LYS 599 Ca 0.05 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2x91 h LYS 599 Cb 0.60 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 2x91 h LYS 599 CO 0.03 0.53 0.00 0.09 -2.27 0.00 0.00 179.45 177.83 2x91 n ASN 600 N -4.73 3.92 -3.92 4.20 3.02 -0.63 -4.96 115.26 112.17 2x91 n ASN 600 Ca 0.17 -2.06 -0.27 0.00 -0.03 0.00 0.00 54.58 52.38 2x91 n ASN 600 Cb 0.35 -0.49 0.01 0.00 -0.61 0.00 0.00 39.78 39.04 2x91 n ASN 600 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2x91 n ASN 601 N 1.51 -2.30 -4.68 6.41 5.15 -0.80 -4.89 115.26 115.66 2x91 n ASN 601 Ca 0.24 -0.89 -0.42 0.00 -0.60 0.00 0.00 54.58 52.90 2x91 n ASN 601 Cb 0.64 -3.51 -0.03 0.00 -0.53 0.00 0.00 39.78 36.35 2x91 n ASN 601 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2x91 s VAL 602 N -3.59 4.34 0.19 3.44 1.01 0.31 -4.99 120.40 121.11 2x91 s VAL 602 Ca 0.31 1.65 -0.30 0.00 0.00 0.00 0.00 61.98 63.64 2x91 s VAL 602 Cb -0.16 -4.06 -0.09 0.00 0.00 0.00 0.00 36.38 32.07 2x91 s VAL 602 CO 0.86 -0.02 1.38 -2.28 0.00 0.00 0.00 175.10 175.05 2x91 s HIS 603 N 2.31 3.18 -0.07 5.22 2.46 -1.26 -4.89 115.29 122.24 2x91 s HIS 603 Ca 0.54 1.05 0.03 0.00 0.47 0.00 0.00 55.06 57.16 2x91 s HIS 603 Cb -0.23 -3.70 -0.02 0.00 -0.13 0.00 0.00 32.58 28.49 2x91 s HIS 603 CO 0.20 -2.34 -0.17 0.42 -2.47 0.00 0.00 174.74 170.38 2x91 s ILE 604 N 0.44 2.75 0.00 0.89 -1.09 -1.26 -4.63 121.20 118.29 2x91 s ILE 604 Ca 0.61 -0.82 0.00 0.00 -2.23 0.00 0.00 60.65 58.21 2x91 s ILE 604 Cb -0.38 -2.08 0.00 0.00 -1.58 0.00 0.00 42.46 38.42 2x91 s ILE 604 CO 0.37 0.57 0.00 0.61 -1.23 0.00 0.00 174.94 175.25 2x91 n GLY 605 N 2.80 0.21 3.26 6.18 0.00 -1.26 -5.09 105.19 111.29 2x91 n GLY 605 Ca -0.17 -1.92 -0.13 0.00 0.00 0.00 0.00 46.02 43.79 2x91 n GLY 605 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2x91 s TRP 606 N -1.48 -0.20 0.66 1.61 -2.14 -1.26 -4.82 118.94 111.31 2x91 s TRP 606 Ca 0.00 0.29 -0.13 0.00 2.66 0.00 0.00 56.10 58.92 2x91 s TRP 606 Cb 0.00 0.12 -0.00 0.00 -3.10 0.00 0.00 33.47 30.48 2x91 s TRP 606 CO 0.00 -0.42 1.07 0.95 -2.66 0.00 0.00 176.95 175.90 2x91 s THR 607 N -1.43 3.72 0.26 0.66 -4.23 -0.36 -4.94 115.64 109.32 2x91 s THR 607 Ca -0.13 0.69 -0.30 0.00 -1.18 0.00 0.00 61.69 60.77 2x91 s THR 607 Cb -0.05 -3.27 -0.11 0.00 1.34 0.00 0.00 72.50 70.41 2x91 s THR 607 CO 0.04 -0.60 1.55 -0.89 -0.54 0.00 0.00 174.62 174.18 2x91 s THR 608 N -2.69 2.31 0.55 3.99 2.01 -1.26 -4.18 115.64 116.37 2x91 s THR 608 Ca 0.62 0.25 -0.21 0.00 0.31 0.00 0.00 61.69 62.66 2x91 s THR 608 Cb -0.16 -3.16 -0.05 0.00 0.01 0.00 0.00 72.50 69.14 2x91 s THR 608 CO 0.46 0.04 1.29 -0.55 -0.69 0.00 0.00 174.62 175.17 2x91 s SER 609 N 0.56 5.35 -0.18 3.53 0.15 -1.26 -4.95 113.70 116.89 2x91 s SER 609 Ca 0.63 2.61 0.17 0.00 0.70 0.00 0.00 55.95 60.06 2x91 s SER 609 Cb -0.46 -2.62 0.51 0.00 -1.71 0.00 0.00 66.02 61.74 2x91 s SER 609 CO 0.44 -1.50 1.40 0.59 1.20 0.00 0.00 173.24 175.36 2x91 n ASN 610 N -1.11 3.73 -0.52 5.45 3.02 -1.26 -4.71 115.26 119.86 2x91 n ASN 610 Ca 0.11 -3.04 0.13 0.00 -0.03 0.00 0.00 54.58 51.75 2x91 n ASN 610 Cb 0.47 -0.54 0.48 0.00 -0.61 0.00 0.00 39.78 39.58 2x91 n ASN 610 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2x91 n LYS 611 N -0.61 1.72 -3.87 3.52 4.76 -1.26 -4.70 118.16 117.72 2x91 n LYS 611 Ca 0.21 -1.05 -0.29 0.00 -2.87 0.00 0.00 58.31 54.32 2x91 n LYS 611 Cb 0.88 -1.47 -0.16 0.00 -1.84 0.00 0.00 35.03 32.44 2x91 n LYS 611 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2x91 s VAL 613 N 1.60 4.80 -2.00 0.00 1.01 -0.13 -4.97 120.40 120.71 2x91 s VAL 613 Ca -0.02 1.70 0.29 0.00 0.00 0.00 0.00 61.98 63.95 2x91 s VAL 613 Cb -0.17 -4.17 0.83 0.00 0.00 0.00 0.00 36.38 32.87 2x91 s VAL 613 CO -0.07 -0.09 2.09 -1.20 0.00 0.00 0.00 175.10 175.82