#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x96 h LEU 18 N 0.00 0.02 -0.15 0.00 3.38 -2.00 -3.07 115.31 113.49 2x96 h LEU 18 Ca 0.00 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2x96 h LEU 18 Cb 0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2x96 h LEU 18 CO 0.00 0.93 0.09 0.58 0.09 0.00 0.00 178.44 180.13 2x96 h VAL 19 N 0.01 1.07 -0.20 1.22 2.07 -2.00 -0.72 116.25 117.69 2x96 h VAL 19 Ca -0.01 -0.17 -0.09 0.00 0.82 0.00 0.00 66.70 67.25 2x96 h VAL 19 Cb 1.62 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 2x96 h VAL 19 CO 0.12 0.06 -0.27 0.11 0.02 0.00 0.00 177.57 177.62 2x96 h LYS 20 N 0.17 0.38 -0.34 1.57 6.56 -2.01 -3.05 116.57 119.85 2x96 h LYS 20 Ca 0.05 -0.14 -0.17 0.00 -1.06 0.00 0.00 60.65 59.34 2x96 h LYS 20 Cb 0.02 -0.02 -0.00 0.00 -0.57 0.00 0.00 32.23 31.66 2x96 h LYS 20 CO -0.01 0.62 -0.43 1.49 -2.06 0.00 0.00 179.45 179.06 2x96 h GLU 21 N 0.34 0.89 -0.34 3.15 4.81 -1.38 -2.45 114.58 119.61 2x96 h GLU 21 Ca 0.05 -0.51 -0.04 0.00 -0.13 0.00 0.00 59.36 58.73 2x96 h GLU 21 Cb 0.65 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.05 2x96 h GLU 21 CO 0.05 1.15 0.04 1.49 -0.73 0.00 0.00 179.01 181.01 2x96 h GLU 22 N 0.69 0.51 -0.27 1.92 4.81 -1.10 0.27 114.58 121.40 2x96 h GLU 22 Ca 0.04 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 2x96 h GLU 22 Cb 1.03 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.32 2x96 h GLU 22 CO 0.10 0.51 0.09 0.82 -0.73 0.00 0.00 179.01 179.80 2x96 h ILE 23 N 0.50 1.19 -0.63 2.32 2.04 -1.43 -2.19 117.51 119.31 2x96 h ILE 23 Ca 0.11 -0.61 -0.04 0.00 1.00 0.00 0.00 64.86 65.32 2x96 h ILE 23 Cb 0.26 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 2x96 h ILE 23 CO 0.00 0.20 0.22 1.56 0.00 0.00 0.00 178.15 180.13 2x96 h GLN 24 N 0.28 0.94 -0.81 2.37 4.20 -0.89 -2.95 115.11 118.24 2x96 h GLN 24 Ca 0.09 -0.17 -0.04 0.00 0.06 0.00 0.00 58.65 58.59 2x96 h GLN 24 Cb 0.22 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 27.82 2x96 h GLN 24 CO -0.00 0.79 0.34 0.00 -0.67 0.00 0.00 178.83 179.29 2x96 h ALA 25 N 1.32 1.05 -0.70 3.87 0.00 -0.37 -1.00 119.26 123.44 2x96 h ALA 25 Ca 0.21 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.94 2x96 h ALA 25 Cb 0.23 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 2x96 h ALA 25 CO -0.01 0.67 0.46 -0.22 0.00 0.00 0.00 179.25 180.15 2x96 h LYS 26 N 1.18 0.91 -0.32 0.00 3.64 -1.23 -0.81 116.57 119.94 2x96 h LYS 26 Ca 0.27 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.47 2x96 h LYS 26 Cb 0.19 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 2x96 h LYS 26 CO -0.03 0.60 -0.33 0.93 -2.27 0.00 0.00 179.45 178.36 2x96 h GLU 27 N 0.94 0.70 -0.48 1.90 5.08 -1.42 -1.89 114.58 119.40 2x96 h GLU 27 Ca 0.26 -0.32 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2x96 h GLU 27 Cb -0.09 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 2x96 h GLU 27 CO -0.06 0.93 0.30 -0.92 -1.00 0.00 0.00 179.01 178.25 2x96 h TYR 28 N 0.59 0.56 -0.36 4.33 3.20 -0.73 -2.45 116.97 122.11 2x96 h TYR 28 Ca 0.06 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.85 2x96 h TYR 28 Cb 0.84 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.92 2x96 h TYR 28 CO 0.04 0.33 -0.15 -0.07 -1.64 0.00 0.00 178.16 176.67 2x96 h LEU 29 N 0.60 0.75 -0.31 2.82 3.38 -1.04 -0.96 115.31 120.55 2x96 h LEU 29 Ca 0.19 -0.40 0.04 0.00 0.09 0.00 0.00 57.88 57.80 2x96 h LEU 29 Cb -0.01 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 2x96 h LEU 29 CO -0.07 0.98 0.08 -0.08 0.09 0.00 0.00 178.44 179.44 2x96 h GLU 30 N 0.52 0.20 -0.25 1.13 4.81 -1.25 0.72 114.58 120.46 2x96 h GLU 30 Ca 0.08 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.23 2x96 h GLU 30 Cb 0.69 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 2x96 h GLU 30 CO 0.05 0.13 -0.12 -0.97 -0.73 0.00 0.00 179.01 177.37 2x96 h ASN 31 N 0.21 0.54 -0.54 1.04 -1.24 -1.41 -3.14 115.58 111.03 2x96 h ASN 31 Ca 0.14 -0.41 -0.04 0.00 0.71 0.00 0.00 56.30 56.70 2x96 h ASN 31 Cb 0.13 -0.15 -0.02 0.00 0.73 0.00 0.00 38.32 39.01 2x96 h ASN 31 CO -0.17 0.83 0.17 0.25 -1.29 0.00 0.00 177.43 177.22 2x96 h LEU 32 N 0.24 0.79 -0.58 0.34 5.85 -0.91 -1.69 115.31 119.35 2x96 h LEU 32 Ca 0.05 -0.21 0.06 0.00 0.84 0.00 0.00 57.88 58.62 2x96 h LEU 32 Cb 0.63 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.40 2x96 h LEU 32 CO 0.04 0.79 0.29 0.78 -0.34 0.00 0.00 178.44 180.00 2x96 h ASN 33 N 0.75 0.42 -0.86 1.25 2.35 -0.93 0.97 115.58 119.52 2x96 h ASN 33 Ca 0.17 0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.94 2x96 h ASN 33 Cb 0.28 -0.04 -0.04 0.00 0.05 0.00 0.00 38.32 38.57 2x96 h ASN 33 CO -0.00 0.28 0.45 0.11 -1.65 0.00 0.00 177.43 176.61 2x96 h LYS 34 N 0.55 1.22 -0.56 0.81 1.57 -1.44 -1.75 116.57 116.97 2x96 h LYS 34 Ca 0.26 -0.16 -0.09 0.00 -1.87 0.00 0.00 60.65 58.79 2x96 h LYS 34 Cb 0.18 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 2x96 h LYS 34 CO -0.19 0.91 0.00 1.49 -0.57 0.00 0.00 179.45 181.10 2x96 h GLU 35 N 1.22 0.97 -0.55 3.15 4.81 -0.60 -2.72 114.58 120.87 2x96 h GLU 35 Ca 0.30 -0.29 -0.10 0.00 -0.13 0.00 0.00 59.36 59.14 2x96 h GLU 35 Cb 0.07 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 2x96 h GLU 35 CO -0.04 0.96 -0.03 -0.07 -0.73 0.00 0.00 179.01 179.10 2x96 h LEU 36 N 0.90 0.98 -0.43 1.64 3.38 -0.44 -0.90 115.31 120.44 2x96 h LEU 36 Ca 0.16 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.83 2x96 h LEU 36 Cb 0.52 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 2x96 h LEU 36 CO 0.03 1.06 0.26 0.00 0.09 0.00 0.00 178.44 179.88 2x96 h ALA 37 N 0.95 0.54 -0.46 1.53 0.00 -1.29 0.32 119.26 120.85 2x96 h ALA 37 Ca 0.15 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 2x96 h ALA 37 Cb 0.58 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2x96 h ALA 37 CO 0.03 -0.05 -0.08 -0.22 0.00 0.00 0.00 179.25 178.94 2x96 h LYS 38 N 0.53 0.86 -0.37 0.00 1.63 -1.32 0.48 116.57 118.38 2x96 h LYS 38 Ca 0.17 -0.31 -0.13 0.00 -0.85 0.00 0.00 60.65 59.52 2x96 h LYS 38 Cb -0.02 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.54 2x96 h LYS 38 CO -0.06 0.95 -0.29 0.00 -3.45 0.00 0.00 179.45 176.59 2x96 h ARG 39 N 0.70 0.79 -0.10 1.90 3.08 -1.07 -3.12 114.38 116.56 2x96 h ARG 39 Ca 0.12 -0.36 -0.15 0.00 0.07 0.00 0.00 59.98 59.66 2x96 h ARG 39 Cb 0.61 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 2x96 h ARG 39 CO 0.04 0.98 -0.59 1.15 -1.07 0.00 0.00 179.97 180.48 2x96 h THR 40 N 0.68 1.36 -0.69 2.04 2.02 -0.75 -2.93 112.91 114.64 2x96 h THR 40 Ca 0.08 -1.92 0.14 0.00 0.77 0.00 0.00 66.41 65.49 2x96 h THR 40 Cb 0.83 1.93 -0.10 0.00 -1.74 0.00 0.00 68.15 69.06 2x96 h THR 40 CO 0.07 0.57 0.15 -1.13 0.37 0.00 0.00 175.52 175.56 2x96 h ASN 41 N 0.25 -0.01 -0.42 4.18 -0.73 -0.85 0.19 115.58 118.19 2x96 h ASN 41 Ca -0.00 0.14 -0.03 0.00 1.87 0.00 0.00 56.30 58.27 2x96 h ASN 41 Cb 1.10 0.19 -0.02 0.00 0.27 0.00 0.00 38.32 39.86 2x96 h ASN 41 CO 0.10 -0.02 0.13 0.58 -0.37 0.00 0.00 177.43 177.84 2x96 h VAL 42 N 0.26 1.22 -0.52 2.57 2.07 -1.49 -0.98 116.25 119.38 2x96 h VAL 42 Ca 0.38 -0.73 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 2x96 h VAL 42 Cb 0.62 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 2x96 h VAL 42 CO -0.48 0.26 0.23 -0.08 0.02 0.00 0.00 177.57 177.52 2x96 h GLU 43 N 0.54 0.76 -0.50 1.57 4.81 -1.26 -2.63 114.58 117.87 2x96 h GLU 43 Ca 0.14 -0.12 -0.07 0.00 -0.13 0.00 0.00 59.36 59.17 2x96 h GLU 43 Cb 0.27 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 2x96 h GLU 43 CO -0.00 0.65 0.04 1.15 -0.73 0.00 0.00 179.01 180.11 2x96 h THR 44 N 0.69 1.24 -0.55 0.32 2.02 -0.47 -1.15 112.91 115.01 2x96 h THR 44 Ca 0.18 -0.95 -0.04 0.00 0.77 0.00 0.00 66.41 66.37 2x96 h THR 44 Cb 0.16 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 2x96 h THR 44 CO -0.02 0.34 0.20 -0.33 0.37 0.00 0.00 175.52 176.08 2x96 h GLU 45 N 0.76 0.83 -0.26 6.66 4.39 -1.04 0.96 114.58 126.88 2x96 h GLU 45 Ca 0.15 -0.17 -0.10 0.00 0.34 0.00 0.00 59.36 59.58 2x96 h GLU 45 Cb 0.41 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 2x96 h GLU 45 CO 0.01 0.74 -0.27 0.00 -1.16 0.00 0.00 179.01 178.33 2x96 h ALA 46 N 1.05 1.03 -0.29 3.43 0.00 -1.18 -1.51 119.26 121.80 2x96 h ALA 46 Ca 0.18 -0.36 -0.16 0.00 0.00 0.00 0.00 54.91 54.57 2x96 h ALA 46 Cb 0.24 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2x96 h ALA 46 CO -0.01 0.58 -0.46 0.00 0.00 0.00 0.00 179.25 179.36 2x96 h ALA 47 N 1.25 0.64 -0.32 0.00 0.00 -0.97 -2.44 119.26 117.41 2x96 h ALA 47 Ca 0.06 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 2x96 h ALA 47 Cb 0.72 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2x96 h ALA 47 CO 0.06 0.67 0.15 2.35 0.00 0.00 0.00 179.25 182.48 2x96 h TRP 48 N 0.60 0.47 -0.65 0.00 2.91 -0.65 -1.56 115.95 117.07 2x96 h TRP 48 Ca 0.03 -0.02 -0.03 0.00 1.13 0.00 0.00 58.89 60.00 2x96 h TRP 48 Cb 1.03 -0.14 -0.03 0.00 -0.51 0.00 0.00 29.16 29.50 2x96 h TRP 48 CO 0.05 0.42 0.27 0.00 -1.03 0.00 0.00 178.44 178.15 2x96 h ALA 49 N 1.00 1.26 -0.15 2.65 0.00 -1.24 -1.30 119.26 121.48 2x96 h ALA 49 Ca 0.11 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 2x96 h ALA 49 Cb 0.13 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2x96 h ALA 49 CO -0.01 0.55 -0.34 -0.92 0.00 0.00 0.00 179.25 178.53 2x96 h TYR 50 N 0.93 0.64 -0.12 0.00 3.20 -1.36 -2.13 116.97 118.12 2x96 h TYR 50 Ca 0.22 -0.24 -0.04 0.00 3.14 0.00 0.00 58.73 61.81 2x96 h TYR 50 Cb 0.16 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 2x96 h TYR 50 CO 0.01 0.97 -0.10 0.78 -1.64 0.00 0.00 178.16 178.18 2x96 h GLY 51 N 0.13 0.20 1.59 1.82 0.00 -1.09 -2.37 103.07 103.35 2x96 h GLY 51 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.22 2x96 h GLY 51 CO 0.08 0.11 -0.37 1.76 0.00 0.00 0.00 176.54 178.11 2x96 h SER 52 N 0.18 0.00 -1.05 0.19 0.02 -1.24 -1.70 113.55 109.95 2x96 h SER 52 Ca 0.04 -0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 2x96 h SER 52 Cb 0.29 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 62.65 2x96 h SER 52 CO 0.02 0.02 -0.49 0.21 -1.14 0.00 0.00 176.83 175.45 2x96 s ASN 53 N -5.36 -1.37 -0.43 3.07 2.47 -0.81 -4.73 114.94 107.78 2x96 s ASN 53 Ca 0.05 -1.33 -0.28 0.00 0.42 0.00 0.00 52.86 51.72 2x96 s ASN 53 Cb 0.09 1.85 -0.01 0.00 -1.45 0.00 0.00 41.25 41.74 2x96 s ASN 53 CO 0.70 -0.11 1.64 -0.63 -3.72 0.00 0.00 177.10 174.98 2x96 s ILE 54 N 1.30 3.62 0.08 -5.21 1.01 0.02 -4.44 121.20 117.58 2x96 s ILE 54 Ca 0.23 0.59 0.01 0.00 0.00 0.00 0.00 60.65 61.48 2x96 s ILE 54 Cb -0.02 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.44 2x96 s ILE 54 CO -0.06 -0.70 -0.05 0.42 0.00 0.00 0.00 174.94 174.55 2x96 s THR 55 N 6.71 0.48 0.35 2.92 -4.23 -1.26 -4.57 115.64 116.03 2x96 s THR 55 Ca 0.68 -1.84 0.02 0.00 -1.18 0.00 0.00 61.69 59.37 2x96 s THR 55 Cb -0.17 -1.56 0.25 0.00 1.34 0.00 0.00 72.50 72.37 2x96 s THR 55 CO 0.30 -0.91 2.00 0.44 -0.54 0.00 0.00 174.62 175.91 2x96 h ASP 56 N 3.11 0.71 -0.22 3.99 3.32 -1.99 -0.16 116.42 125.18 2x96 h ASP 56 Ca -0.35 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 56.64 2x96 h ASP 56 Cb 1.16 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 2x96 h ASP 56 CO 0.64 0.53 0.01 -0.08 -1.72 0.00 0.00 179.24 178.63 2x96 h GLU 57 N 0.84 0.39 -0.23 3.56 4.81 -1.97 -1.85 114.58 120.12 2x96 h GLU 57 Ca 0.22 -0.12 -0.10 0.00 -0.13 0.00 0.00 59.36 59.24 2x96 h GLU 57 Cb -0.07 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 2x96 h GLU 57 CO -0.05 0.56 -0.27 -0.91 -0.73 0.00 0.00 179.01 177.61 2x96 h ASN 58 N 0.16 0.46 0.22 1.04 2.35 -1.81 -1.87 115.58 116.14 2x96 h ASN 58 Ca 0.06 -0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 2x96 h ASN 58 Cb 0.37 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.62 2x96 h ASN 58 CO 0.01 0.72 -0.13 -0.08 -1.65 0.00 0.00 177.43 176.30 2x96 h GLU 59 N 0.40 -0.32 -0.49 0.81 4.81 -0.95 -0.89 114.58 117.94 2x96 h GLU 59 Ca 0.06 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.38 2x96 h GLU 59 Cb 0.68 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 30.08 2x96 h GLU 59 CO 0.05 -0.22 0.14 -0.22 -0.73 0.00 0.00 179.01 178.03 2x96 h LYS 60 N -0.34 0.28 -0.30 1.92 3.64 -1.20 -1.46 116.57 119.11 2x96 h LYS 60 Ca -0.02 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 2x96 h LYS 60 Cb 0.28 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 2x96 h LYS 60 CO 0.03 0.19 0.13 0.87 -2.27 0.00 0.00 179.45 178.40 2x96 h LYS 61 N 0.29 0.45 0.01 1.90 1.57 -1.21 -1.49 116.57 118.09 2x96 h LYS 61 Ca 0.24 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.96 2x96 h LYS 61 Cb 0.29 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 2x96 h LYS 61 CO -0.28 0.44 -0.08 -0.22 -0.57 0.00 0.00 179.45 178.75 2x96 h LYS 62 N 0.35 -0.13 -0.02 3.15 3.64 -0.87 -2.54 116.57 120.14 2x96 h LYS 62 Ca 0.10 0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.39 2x96 h LYS 62 Cb 0.15 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 2x96 h LYS 62 CO -0.01 -0.09 -0.47 -0.91 -2.27 0.00 0.00 179.45 175.70 2x96 h ASN 63 N -0.14 0.06 -0.16 4.20 2.35 -1.21 -2.50 115.58 118.18 2x96 h ASN 63 Ca 0.03 -0.03 -0.22 0.00 -0.55 0.00 0.00 56.30 55.53 2x96 h ASN 63 Cb 0.17 -0.02 0.01 0.00 0.05 0.00 0.00 38.32 38.53 2x96 h ASN 63 CO -0.07 0.53 -0.75 -0.33 -1.65 0.00 0.00 177.43 175.15 2x96 h GLU 64 N 0.05 0.81 -0.64 0.81 5.08 -1.19 -2.10 114.58 117.39 2x96 h GLU 64 Ca -0.00 -0.64 -0.09 0.00 -1.00 0.00 0.00 59.36 57.63 2x96 h GLU 64 Cb 0.85 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 2x96 h GLU 64 CO 0.06 1.25 0.05 0.82 -1.00 0.00 0.00 179.01 180.19 2x96 h ILE 65 N 0.56 1.27 -0.62 3.13 1.08 -1.39 -2.18 117.51 119.34 2x96 h ILE 65 Ca -0.05 -1.11 -0.02 0.00 -0.39 0.00 0.00 64.86 63.30 2x96 h ILE 65 Cb 1.38 0.72 -0.03 0.00 -3.07 0.00 0.00 36.82 35.82 2x96 h ILE 65 CO 0.16 0.41 0.33 0.28 -0.69 0.00 0.00 178.15 178.63 2x96 h SER 66 N 1.01 0.79 -0.82 1.72 0.02 -1.44 -0.75 113.55 114.09 2x96 h SER 66 Ca 0.19 -0.11 0.04 0.00 -0.84 0.00 0.00 61.79 61.07 2x96 h SER 66 Cb 0.51 -0.20 -0.05 0.00 0.14 0.00 0.00 62.40 62.80 2x96 h SER 66 CO 0.02 0.67 0.54 0.00 -1.14 0.00 0.00 176.83 176.92 2x96 h ALA 67 N 1.15 1.52 -0.33 3.77 0.00 -1.21 0.16 119.26 124.32 2x96 h ALA 67 Ca 0.22 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 2x96 h ALA 67 Cb 0.07 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2x96 h ALA 67 CO -0.03 0.39 -0.14 1.49 0.00 0.00 0.00 179.25 180.96 2x96 h GLU 68 N 0.99 0.67 -0.49 0.00 4.81 -0.78 -2.43 114.58 117.34 2x96 h GLU 68 Ca 0.33 -0.29 -0.10 0.00 -0.13 0.00 0.00 59.36 59.17 2x96 h GLU 68 Cb 0.07 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 2x96 h GLU 68 CO -0.10 0.87 -0.11 1.25 -0.73 0.00 0.00 179.01 180.20 2x96 h LEU 69 N 0.44 0.91 -0.84 1.64 5.85 -0.76 -2.68 115.31 119.86 2x96 h LEU 69 Ca 0.07 -0.29 0.03 0.00 0.84 0.00 0.00 57.88 58.54 2x96 h LEU 69 Cb 0.66 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.40 2x96 h LEU 69 CO 0.04 1.03 0.54 0.00 -0.34 0.00 0.00 178.44 179.71 2x96 h ALA 70 N 1.05 1.10 -0.84 1.25 0.00 -0.94 -0.28 119.26 120.61 2x96 h ALA 70 Ca 0.13 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2x96 h ALA 70 Cb 0.64 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 2x96 h ALA 70 CO 0.04 0.36 0.51 -0.22 0.00 0.00 0.00 179.25 179.95 2x96 h LYS 71 N 1.04 1.14 -0.49 0.00 3.64 -1.23 -1.61 116.57 119.05 2x96 h LYS 71 Ca 0.33 -0.10 -0.12 0.00 -1.27 0.00 0.00 60.65 59.49 2x96 h LYS 71 Cb 0.01 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.58 2x96 h LYS 71 CO -0.12 0.80 -0.17 0.35 -2.27 0.00 0.00 179.45 178.04 2x96 h PHE 72 N 1.15 1.10 -0.91 1.91 3.57 -1.09 -2.97 116.94 119.70 2x96 h PHE 72 Ca 0.30 -0.25 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 2x96 h PHE 72 Cb -0.05 -0.26 -0.04 0.00 2.79 0.00 0.00 35.95 38.38 2x96 h PHE 72 CO -0.00 1.06 0.51 0.52 -2.23 0.00 0.00 178.31 178.16 2x96 h MET 73 N 0.85 1.26 -0.52 1.11 2.86 -0.69 -0.88 114.93 118.93 2x96 h MET 73 Ca 0.12 -0.14 0.06 0.00 -2.06 0.00 0.00 59.70 57.68 2x96 h MET 73 Cb 0.74 -0.25 -0.05 0.00 0.06 0.00 0.00 31.60 32.09 2x96 h MET 73 CO 0.06 0.91 0.23 0.87 1.06 0.00 0.00 176.91 180.04 2x96 h LYS 74 N 1.27 0.43 -0.79 1.72 1.57 -1.23 -0.11 116.57 119.42 2x96 h LYS 74 Ca 0.32 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 59.03 2x96 h LYS 74 Cb 0.01 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.18 2x96 h LYS 74 CO -0.05 0.28 0.30 1.49 -0.57 0.00 0.00 179.45 180.90 2x96 h GLU 75 N 0.44 1.19 0.20 3.15 4.81 -1.27 -1.34 114.58 121.76 2x96 h GLU 75 Ca 0.24 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 2x96 h GLU 75 Cb 0.21 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.40 2x96 h GLU 75 CO -0.21 0.97 -0.10 0.28 -0.73 0.00 0.00 179.01 179.23 2x96 h VAL 76 N 1.16 0.82 -0.88 0.32 2.07 -0.63 -0.26 116.25 118.84 2x96 h VAL 76 Ca 0.26 -0.08 0.04 0.00 0.82 0.00 0.00 66.70 67.75 2x96 h VAL 76 Cb 0.23 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 30.82 2x96 h VAL 76 CO -0.02 0.02 0.58 0.00 0.02 0.00 0.00 177.57 178.17 2x96 h ALA 77 N 0.49 1.47 -0.37 1.67 0.00 -0.91 -1.43 119.26 120.18 2x96 h ALA 77 Ca -0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2x96 h ALA 77 Cb 0.24 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2x96 h ALA 77 CO 0.05 0.44 0.18 1.03 0.00 0.00 0.00 179.25 180.94 2x96 h SER 78 N 1.08 0.49 0.29 0.00 0.87 -1.04 -3.08 113.55 112.16 2x96 h SER 78 Ca 0.36 -0.13 -0.03 0.00 -1.23 0.00 0.00 61.79 60.76 2x96 h SER 78 Cb 0.07 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 61.90 2x96 h SER 78 CO -0.11 0.48 -0.15 0.44 -0.53 0.00 0.00 176.83 176.95 2x96 h ASP 79 N 0.46 0.00 0.09 6.23 3.45 -0.03 -2.80 116.42 123.83 2x96 h ASP 79 Ca 0.13 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.57 2x96 h ASP 79 Cb 0.12 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 38.89 2x96 h ASP 79 CO -0.02 0.15 -0.07 0.71 -1.57 0.00 0.00 179.24 178.45 2x96 h THR 80 N 0.00 0.89 0.00 0.35 1.35 -1.23 -1.79 112.91 112.48 2x96 h THR 80 Ca -0.00 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 2x96 h THR 80 Cb 0.34 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 67.90 2x96 h THR 80 CO 0.02 0.07 0.00 0.35 -0.25 0.00 0.00 175.52 175.71 2x96 n THR 81 N -4.23 0.83 0.70 6.82 -2.24 -1.05 -1.97 114.28 113.13 2x96 n THR 81 Ca -0.03 0.19 0.13 0.00 -2.27 0.00 0.00 64.05 62.08 2x96 n THR 81 Cb 0.15 -1.07 0.44 0.00 -2.10 0.00 0.00 70.33 67.75 2x96 n THR 81 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2x96 n LYS 82 N -2.07 0.21 -4.38 -0.78 5.02 -0.67 -4.76 118.16 110.72 2x96 n LYS 82 Ca 0.03 0.17 -0.34 0.00 -2.02 0.00 0.00 58.31 56.14 2x96 n LYS 82 Cb 0.23 -1.74 -0.10 0.00 -0.02 0.00 0.00 35.03 33.40 2x96 n LYS 82 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2x96 s PHE 83 N -3.08 3.11 -0.37 2.13 0.08 -0.83 -5.01 117.98 114.01 2x96 s PHE 83 Ca 0.11 0.04 -0.07 0.00 0.12 0.00 0.00 56.93 57.13 2x96 s PHE 83 Cb 0.14 -1.85 -0.20 0.00 -0.57 0.00 0.00 43.02 40.54 2x96 s PHE 83 CO 0.59 0.29 3.41 1.04 -0.10 0.00 0.00 175.22 180.45 2x96 n GLN 84 N 2.64 2.41 0.06 0.44 1.13 -1.26 -4.73 117.38 118.07 2x96 n GLN 84 Ca -0.18 -1.39 0.04 0.00 -1.94 0.00 0.00 57.00 53.52 2x96 n GLN 84 Cb 0.53 -2.17 0.44 0.00 0.11 0.00 0.00 30.24 29.14 2x96 n GLN 84 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 2x96 h TRP 85 N 3.40 0.39 0.00 1.08 5.08 -1.95 0.02 115.95 123.97 2x96 h TRP 85 Ca 0.35 -0.01 0.00 0.00 1.08 0.00 0.00 58.89 60.31 2x96 h TRP 85 Cb 1.19 -0.13 0.00 0.00 -3.00 0.00 0.00 29.16 27.23 2x96 h TRP 85 CO 1.78 0.31 0.00 0.00 -1.28 0.00 0.00 178.44 179.24 2x96 h ARG 86 N 0.40 0.00 -0.01 0.12 3.08 -1.95 -2.33 114.38 113.69 2x96 h ARG 86 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 2x96 h ARG 86 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 2x96 h ARG 86 CO -0.01 0.00 -0.23 0.43 -1.07 0.00 0.00 179.97 179.09 2x96 n SER 87 N -2.81 1.19 -4.79 7.04 7.64 -0.01 -4.99 113.62 116.89 2x96 n SER 87 Ca -0.01 -1.04 -0.33 0.00 1.01 0.00 0.00 58.87 58.51 2x96 n SER 87 Cb 0.14 0.14 0.03 0.00 -1.01 0.00 0.00 64.21 63.51 2x96 n SER 87 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2x96 s TYR 88 N -2.42 2.85 0.11 1.43 2.02 -0.88 -4.98 117.35 115.48 2x96 s TYR 88 Ca 0.26 1.52 -0.05 0.00 -0.37 0.00 0.00 57.07 58.42 2x96 s TYR 88 Cb 0.19 -3.05 -0.16 0.00 -0.40 0.00 0.00 41.96 38.54 2x96 s TYR 88 CO 0.49 -1.36 1.24 1.96 -1.57 0.00 0.00 175.55 176.32 2x96 h GLN 89 N 0.12 0.40 -6.33 -0.62 1.08 -1.94 -3.45 115.11 104.37 2x96 h GLN 89 Ca -0.46 -0.49 -0.57 0.00 -1.45 0.00 0.00 58.65 55.67 2x96 h GLN 89 Cb 1.23 0.16 -0.07 0.00 -0.05 0.00 0.00 27.48 28.75 2x96 h GLN 89 CO 0.56 1.17 0.83 0.45 -0.95 0.00 0.00 178.83 180.89 2x96 s SER 90 N -7.14 6.89 0.32 1.46 0.15 -1.26 -4.91 113.70 109.20 2x96 s SER 90 Ca -0.06 0.96 -0.00 0.00 0.70 0.00 0.00 55.95 57.56 2x96 s SER 90 Cb 0.08 -2.54 0.52 0.00 -1.71 0.00 0.00 66.02 62.38 2x96 s SER 90 CO 0.88 -0.91 1.98 -0.33 1.20 0.00 0.00 173.24 176.06 2x96 h GLU 91 N 8.22 0.98 -0.15 5.44 4.39 -1.99 -1.76 114.58 129.70 2x96 h GLU 91 Ca -0.21 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.43 2x96 h GLU 91 Cb 1.06 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.48 2x96 h GLU 91 CO 1.04 0.65 0.08 0.22 -1.16 0.00 0.00 179.01 179.84 2x96 h ASP 92 N 1.01 0.20 -0.47 1.42 3.58 -1.94 -0.10 116.42 120.12 2x96 h ASP 92 Ca 0.28 -0.10 -0.03 0.00 0.42 0.00 0.00 57.03 57.61 2x96 h ASP 92 Cb -0.09 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 40.89 2x96 h ASP 92 CO -0.06 0.24 0.20 -0.07 -2.88 0.00 0.00 179.24 176.66 2x96 h LEU 93 N 0.14 0.64 -0.85 2.28 3.38 -1.91 -2.06 115.31 116.93 2x96 h LEU 93 Ca 0.05 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 57.88 2x96 h LEU 93 Cb 0.09 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.63 2x96 h LEU 93 CO -0.01 0.63 0.56 0.11 0.09 0.00 0.00 178.44 179.82 2x96 h LYS 94 N 0.62 1.08 -0.74 1.13 1.57 -1.21 -1.51 116.57 117.52 2x96 h LYS 94 Ca 0.16 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.82 2x96 h LYS 94 Cb 0.18 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 2x96 h LYS 94 CO -0.01 0.72 0.25 -0.09 -0.57 0.00 0.00 179.45 179.75 2x96 h ARG 95 N 1.12 1.14 -0.26 3.15 2.43 -0.73 -0.59 114.38 120.64 2x96 h ARG 95 Ca 0.32 -0.23 -0.03 0.00 -0.81 0.00 0.00 59.98 59.23 2x96 h ARG 95 Cb -0.08 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.29 2x96 h ARG 95 CO -0.09 0.95 0.04 1.96 -1.51 0.00 0.00 179.97 181.33 2x96 h GLN 96 N 1.09 0.44 -0.76 0.20 4.20 -1.07 -2.15 115.11 117.05 2x96 h GLN 96 Ca 0.24 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.81 2x96 h GLN 96 Cb 0.28 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.97 2x96 h GLN 96 CO -0.01 0.56 0.37 0.74 -0.67 0.00 0.00 178.83 179.82 2x96 h PHE 97 N 0.24 1.08 -0.62 2.96 0.04 -1.08 -2.29 116.94 117.28 2x96 h PHE 97 Ca 0.08 -0.05 0.01 0.00 2.80 0.00 0.00 57.97 60.81 2x96 h PHE 97 Cb 0.34 -0.34 -0.03 0.00 2.20 0.00 0.00 35.95 38.12 2x96 h PHE 97 CO 0.02 0.79 0.40 -0.22 -0.60 0.00 0.00 178.31 178.71 2x96 h LYS 98 N 1.06 0.80 -0.81 1.51 3.64 -1.04 -2.08 116.57 119.64 2x96 h LYS 98 Ca 0.26 -0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.66 2x96 h LYS 98 Cb 0.11 -0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 31.69 2x96 h LYS 98 CO -0.03 0.53 0.53 0.00 -2.27 0.00 0.00 179.45 178.20 2x96 h ALA 99 N 1.23 1.61 0.00 5.00 0.00 -1.05 -2.30 119.26 123.75 2x96 h ALA 99 Ca 0.23 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 2x96 h ALA 99 Cb -0.08 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2x96 h ALA 99 CO -0.06 0.26 -0.32 -0.07 0.00 0.00 0.00 179.25 179.07 2x96 h LEU 100 N 0.89 0.00 -0.97 0.00 3.38 -0.83 -3.01 115.31 114.77 2x96 h LEU 100 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 2x96 h LEU 100 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2x96 h LEU 100 CO -0.12 0.32 0.00 0.71 0.09 0.00 0.00 178.44 179.43 2x96 h THR 101 N 0.00 0.00 -2.46 0.22 1.35 -0.93 -3.39 112.91 107.69 2x96 h THR 101 Ca -0.00 -0.58 -0.63 0.00 -0.55 0.00 0.00 66.41 64.64 2x96 h THR 101 Cb 0.86 1.55 -0.14 0.00 -1.73 0.00 0.00 68.15 68.69 2x96 h THR 101 CO 0.04 0.00 0.72 -0.54 -0.25 0.00 0.00 175.52 175.49 2x96 s LYS 102 N -3.49 3.26 0.11 4.72 1.02 -1.14 -4.87 119.74 119.34 2x96 s LYS 102 Ca 0.03 -1.00 0.11 0.00 0.02 0.00 0.00 55.97 55.14 2x96 s LYS 102 Cb 0.08 -4.45 -0.15 0.00 -0.52 0.00 0.00 37.83 32.79 2x96 s LYS 102 CO 0.56 -1.87 1.10 -0.07 -0.92 0.00 0.00 175.35 174.15 2x96 h LEU 103 N 11.41 0.00 0.00 3.17 3.38 -1.87 -3.50 115.31 127.90 2x96 h LEU 103 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2x96 h LEU 103 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 2x96 h LEU 103 CO 1.19 0.84 0.00 0.61 0.09 0.00 0.00 178.44 181.17 2x96 n GLY 104 N 1.38 3.19 0.33 0.83 0.00 -1.26 -2.32 105.19 107.34 2x96 n GLY 104 Ca -0.05 -0.21 0.15 0.00 0.00 0.00 0.00 46.02 45.92 2x96 n GLY 104 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2x96 h TYR 105 N 0.00 0.00 0.00 1.61 0.05 -1.96 -1.98 116.97 114.70 2x96 h TYR 105 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2x96 h TYR 105 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 2x96 h TYR 105 CO 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 178.16 177.11 2x96 n ALA 106 N -2.55 1.17 0.40 3.88 0.00 -0.98 -1.46 120.51 120.96 2x96 n ALA 106 Ca 0.04 0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.71 2x96 n ALA 106 Cb 0.38 -1.21 0.44 0.00 0.00 0.00 0.00 19.45 19.05 2x96 n ALA 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2x96 h ALA 107 N 2.08 1.00 -2.80 0.00 0.00 -1.52 -3.43 119.26 114.59 2x96 h ALA 107 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 2x96 h ALA 107 Cb 0.07 0.00 0.09 0.00 0.00 0.00 0.00 17.79 17.95 2x96 h ALA 107 CO 0.00 0.00 0.51 -0.51 0.00 0.00 0.00 179.25 179.25 2x96 s LEU 108 N -5.28 3.87 0.64 0.00 1.43 -0.53 -4.99 118.68 113.80 2x96 s LEU 108 Ca 0.06 2.42 -0.17 0.00 -1.03 0.00 0.00 54.13 55.41 2x96 s LEU 108 Cb 0.09 -4.36 -0.04 0.00 0.03 0.00 0.00 46.19 41.91 2x96 s LEU 108 CO 0.55 -1.26 0.86 -2.65 0.23 0.00 0.00 176.35 174.08 2x96 n PRO 109 N -0.95 0.69 -0.24 1.29 -0.02 -1.26 -4.60 135.00 129.92 2x96 n PRO 109 Ca 0.10 0.28 -0.01 0.00 -2.02 0.00 0.00 63.50 61.85 2x96 n PRO 109 Cb 0.48 -2.08 0.06 0.00 -0.02 0.00 0.00 33.50 31.94 2x96 n PRO 109 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2x96 h GLU 110 N 0.20 -0.05 -0.47 -0.52 4.81 -1.96 0.47 114.58 117.06 2x96 h GLU 110 Ca -0.48 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.71 2x96 h GLU 110 Cb 1.36 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.74 2x96 h GLU 110 CO 0.49 -0.03 0.09 -0.44 -0.73 0.00 0.00 179.01 178.38 2x96 h ASP 111 N -0.05 0.73 -0.74 1.04 3.32 -1.99 -1.74 116.42 116.99 2x96 h ASP 111 Ca 0.31 -0.25 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 2x96 h ASP 111 Cb 0.54 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 2x96 h ASP 111 CO -0.73 0.79 0.32 0.44 -1.72 0.00 0.00 179.24 178.35 2x96 h ASP 112 N 0.64 0.99 -0.49 6.45 3.32 -1.61 -0.91 116.42 124.81 2x96 h ASP 112 Ca 0.14 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 2x96 h ASP 112 Cb 0.36 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 2x96 h ASP 112 CO 0.01 0.87 0.20 0.22 -1.72 0.00 0.00 179.24 178.81 2x96 h TYR 113 N 1.04 0.74 -0.78 4.55 3.20 -0.82 -1.00 116.97 123.90 2x96 h TYR 113 Ca 0.25 -0.05 -0.04 0.00 3.14 0.00 0.00 58.73 62.03 2x96 h TYR 113 Cb 0.17 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.18 2x96 h TYR 113 CO 0.01 0.62 0.34 0.00 -1.64 0.00 0.00 178.16 177.49 2x96 h ALA 114 N 1.04 1.13 -0.66 1.82 0.00 -1.04 -1.48 119.26 120.08 2x96 h ALA 114 Ca 0.16 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 2x96 h ALA 114 Cb 0.19 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2x96 h ALA 114 CO -0.01 0.64 0.08 1.49 0.00 0.00 0.00 179.25 181.44 2x96 h GLU 115 N 1.12 1.11 -0.32 0.00 4.81 -0.99 -1.98 114.58 118.33 2x96 h GLU 115 Ca 0.26 -0.31 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 2x96 h GLU 115 Cb 0.17 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 2x96 h GLU 115 CO -0.03 1.03 0.14 1.25 -0.73 0.00 0.00 179.01 180.67 2x96 h LEU 116 N 1.02 0.44 -1.03 1.64 5.85 -0.80 -0.60 115.31 121.83 2x96 h LEU 116 Ca 0.20 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.77 2x96 h LEU 116 Cb 0.48 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 2x96 h LEU 116 CO 0.02 0.47 0.64 -0.07 -0.34 0.00 0.00 178.44 179.16 2x96 h LEU 117 N 0.38 1.13 -0.71 2.25 3.38 -1.19 0.54 115.31 121.09 2x96 h LEU 117 Ca 0.11 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 2x96 h LEU 117 Cb 0.16 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 2x96 h LEU 117 CO -0.01 0.83 0.07 0.44 0.09 0.00 0.00 178.44 179.86 2x96 h ASP 118 N 1.33 1.02 -0.42 -0.43 3.45 -1.13 -1.71 116.42 118.53 2x96 h ASP 118 Ca 0.36 -0.25 -0.05 0.00 0.43 0.00 0.00 57.03 57.51 2x96 h ASP 118 Cb -0.14 -0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 38.34 2x96 h ASP 118 CO -0.08 1.03 0.05 0.74 -1.57 0.00 0.00 179.24 179.42 2x96 h THR 119 N 0.99 1.25 -0.32 0.35 2.02 -0.51 -1.92 112.91 114.77 2x96 h THR 119 Ca 0.19 -0.92 -0.03 0.00 0.77 0.00 0.00 66.41 66.42 2x96 h THR 119 Cb 0.47 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 2x96 h THR 119 CO 0.02 0.32 0.08 -0.07 0.37 0.00 0.00 175.52 176.23 2x96 h LEU 120 N 0.56 0.49 -0.86 2.58 3.38 -0.76 -2.29 115.31 118.40 2x96 h LEU 120 Ca 0.13 -0.23 -0.11 0.00 0.09 0.00 0.00 57.88 57.76 2x96 h LEU 120 Cb 0.40 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2x96 h LEU 120 CO 0.01 0.59 -0.30 0.77 0.09 0.00 0.00 178.44 179.60 2x96 h SER 121 N 0.37 0.50 -0.76 -0.43 4.64 -1.34 -1.20 113.55 115.33 2x96 h SER 121 Ca 0.10 -0.19 0.02 0.00 -0.47 0.00 0.00 61.79 61.26 2x96 h SER 121 Cb 0.29 -0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 62.20 2x96 h SER 121 CO 0.00 0.78 0.49 0.00 -0.87 0.00 0.00 176.83 177.23 2x96 h ALA 122 N 1.25 0.98 -0.14 5.18 0.00 -1.21 0.39 119.26 125.71 2x96 h ALA 122 Ca 0.05 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 2x96 h ALA 122 Cb 0.74 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2x96 h ALA 122 CO 0.06 0.32 -0.42 0.52 0.00 0.00 0.00 179.25 179.73 2x96 h MET 123 N 0.97 0.54 -0.50 0.00 2.07 -1.15 -2.09 114.93 114.76 2x96 h MET 123 Ca 0.29 -0.38 -0.05 0.00 -2.07 0.00 0.00 59.70 57.49 2x96 h MET 123 Cb -0.03 0.06 -0.02 0.00 -1.87 0.00 0.00 31.60 29.74 2x96 h MET 123 CO -0.09 1.00 0.12 1.49 1.07 0.00 0.00 176.91 180.50 2x96 h GLU 124 N 0.16 0.80 -0.41 1.72 4.81 -1.11 -2.19 114.58 118.36 2x96 h GLU 124 Ca -0.01 -0.19 -0.12 0.00 -0.13 0.00 0.00 59.36 58.90 2x96 h GLU 124 Cb 1.03 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 2x96 h GLU 124 CO 0.09 0.77 -0.23 0.66 -0.73 0.00 0.00 179.01 179.57 2x96 h SER 125 N 0.69 0.85 -0.13 1.04 4.64 -0.98 -1.52 113.55 118.14 2x96 h SER 125 Ca 0.16 -0.31 0.03 0.00 -0.47 0.00 0.00 61.79 61.19 2x96 h SER 125 Cb 0.33 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 62.16 2x96 h SER 125 CO 0.00 1.05 -0.07 -1.13 -0.87 0.00 0.00 176.83 175.81 2x96 h ASN 126 N 0.72 -0.24 -0.51 4.97 -0.73 -1.30 -0.80 115.58 117.69 2x96 h ASN 126 Ca 0.10 0.06 0.05 0.00 1.87 0.00 0.00 56.30 58.37 2x96 h ASN 126 Cb 0.76 0.13 -0.05 0.00 0.27 0.00 0.00 38.32 39.44 2x96 h ASN 126 CO 0.06 -0.10 0.25 0.15 -0.37 0.00 0.00 177.43 177.43 2x96 h PHE 127 N -0.07 0.46 0.00 0.67 3.57 -1.17 -2.68 116.94 117.72 2x96 h PHE 127 Ca 0.08 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.52 2x96 h PHE 127 Cb 0.18 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 2x96 h PHE 127 CO -0.20 0.22 -0.39 0.00 -2.23 0.00 0.00 178.31 175.71 2x96 h ALA 128 N 1.28 1.10 -0.06 2.41 0.00 -1.01 -3.13 119.26 119.85 2x96 h ALA 128 Ca 0.23 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2x96 h ALA 128 Cb 0.15 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2x96 h ALA 128 CO -0.17 0.48 0.00 1.63 0.00 0.00 0.00 179.25 181.20 2x96 n LYS 129 N -3.70 1.93 -1.68 0.00 5.02 -0.33 -4.77 118.16 114.63 2x96 n LYS 129 Ca -0.01 -1.36 -0.44 0.00 -2.02 0.00 0.00 58.31 54.48 2x96 n LYS 129 Cb 0.48 -1.47 -0.04 0.00 -0.02 0.00 0.00 35.03 33.98 2x96 n LYS 129 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2x96 n VAL 130 N 0.64 0.34 -4.29 -0.18 0.31 -1.06 -4.99 118.33 109.09 2x96 n VAL 130 Ca 0.17 -0.06 -0.18 0.00 -0.01 0.00 0.00 64.34 64.26 2x96 n VAL 130 Cb 0.44 -1.98 -0.15 0.00 -0.91 0.00 0.00 33.84 31.24 2x96 n VAL 130 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2x96 s LYS 131 N 2.63 0.70 0.33 5.55 -0.14 -1.26 -4.29 119.74 123.26 2x96 s LYS 131 Ca 0.83 -0.25 0.09 0.00 -1.36 0.00 0.00 55.97 55.29 2x96 s LYS 131 Cb -0.55 -0.68 -0.06 0.00 -1.68 0.00 0.00 37.83 34.86 2x96 s LYS 131 CO 0.40 0.12 -0.10 0.14 -0.76 0.00 0.00 175.35 175.14 2x96 s VAL 132 N 0.04 2.21 0.17 3.17 -7.23 -0.07 -4.90 120.40 113.79 2x96 s VAL 132 Ca -0.00 -2.22 -0.18 0.00 -1.81 0.00 0.00 61.98 57.77 2x96 s VAL 132 Cb -0.06 -2.60 -0.08 0.00 0.56 0.00 0.00 36.38 34.21 2x96 s VAL 132 CO -0.00 -0.23 0.64 0.00 -0.31 0.00 0.00 175.10 175.20 2x96 n ASP 134 N 0.92 2.82 -0.15 0.00 2.03 0.62 -4.90 116.55 117.89 2x96 n ASP 134 Ca -0.05 1.18 0.05 0.00 0.52 0.00 0.00 54.79 56.49 2x96 n ASP 134 Cb 0.51 -1.47 0.35 0.00 -0.72 0.00 0.00 41.12 39.79 2x96 n ASP 134 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 2x96 h TYR 135 N 3.36 0.74 -0.01 -0.67 3.20 -1.96 -2.82 116.97 118.81 2x96 h TYR 135 Ca -0.46 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.43 2x96 h TYR 135 Cb 1.28 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 39.30 2x96 h TYR 135 CO 0.53 0.42 -0.59 1.63 -1.64 0.00 0.00 178.16 178.52 2x96 n LYS 136 N -4.46 1.05 -3.42 1.82 5.02 -1.26 -4.82 118.16 112.08 2x96 n LYS 136 Ca 0.08 -0.69 -0.21 0.00 -2.02 0.00 0.00 58.31 55.47 2x96 n LYS 136 Cb 0.15 -1.44 -0.10 0.00 -0.02 0.00 0.00 35.03 33.62 2x96 n LYS 136 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2x96 s ASP 137 N -2.51 2.05 0.00 4.39 -1.08 -1.06 -4.99 116.67 113.46 2x96 s ASP 137 Ca 0.15 -1.37 0.12 0.00 -0.52 0.00 0.00 52.55 50.92 2x96 s ASP 137 Cb 0.17 0.22 0.61 0.00 -1.46 0.00 0.00 42.92 42.45 2x96 s ASP 137 CO 0.62 -0.34 1.28 -1.54 0.52 0.00 0.00 175.17 175.71 2x96 n SER 138 N 4.72 0.00 0.05 -0.34 3.41 -1.25 -2.08 113.62 118.13 2x96 n SER 138 Ca 0.04 0.10 -0.20 0.00 -0.26 0.00 0.00 58.87 58.56 2x96 n SER 138 Cb 0.43 -0.28 -0.15 0.00 -0.26 0.00 0.00 64.21 63.96 2x96 n SER 138 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2x96 h THR 139 N 0.00 1.52 -2.71 6.66 2.02 -1.94 -3.44 112.91 115.02 2x96 h THR 139 Ca 0.00 -2.52 -0.55 0.00 0.77 0.00 0.00 66.41 64.10 2x96 h THR 139 Cb 0.11 3.19 -0.09 0.00 -1.74 0.00 0.00 68.15 69.62 2x96 h THR 139 CO 0.00 0.71 0.96 -0.75 0.37 0.00 0.00 175.52 176.82 2x96 s LYS 140 N -2.45 3.30 -0.35 6.66 2.20 -0.88 -4.89 119.74 123.33 2x96 s LYS 140 Ca -0.14 -0.12 0.07 0.00 -0.36 0.00 0.00 55.97 55.43 2x96 s LYS 140 Cb 0.01 -4.12 0.45 0.00 -1.51 0.00 0.00 37.83 32.65 2x96 s LYS 140 CO 0.83 -1.93 1.14 0.00 -0.36 0.00 0.00 175.35 175.03 2x96 n ASP 142 N -0.58 1.65 -4.63 0.00 5.75 -1.21 -4.44 116.55 113.08 2x96 n ASP 142 Ca 0.39 -3.31 -0.42 0.00 -0.01 0.00 0.00 54.79 51.43 2x96 n ASP 142 Cb 0.83 -0.45 -0.03 0.00 -1.03 0.00 0.00 41.12 40.43 2x96 n ASP 142 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2x96 s LEU 143 N -2.47 4.02 0.35 -2.12 1.02 -1.00 -4.89 118.68 113.59 2x96 s LEU 143 Ca 0.34 0.88 0.01 0.00 0.02 0.00 0.00 54.13 55.37 2x96 s LEU 143 Cb 0.33 -3.31 -0.03 0.00 0.02 0.00 0.00 46.19 43.20 2x96 s LEU 143 CO -0.06 -0.73 0.55 0.00 0.02 0.00 0.00 176.35 176.13 2x96 s ALA 144 N 3.28 3.73 0.15 4.21 0.00 -1.26 -0.89 121.76 130.97 2x96 s ALA 144 Ca 0.39 -0.95 -0.20 0.00 0.00 0.00 0.00 51.96 51.20 2x96 s ALA 144 Cb -0.13 -2.08 0.03 0.00 0.00 0.00 0.00 23.12 20.93 2x96 s ALA 144 CO 0.13 -0.04 1.67 1.25 0.00 0.00 0.00 175.76 178.77 2x96 h LEU 145 N 0.74 -0.44 -8.28 0.00 5.85 -1.95 0.09 115.31 111.33 2x96 h LEU 145 Ca -0.49 0.10 -0.69 0.00 0.84 0.00 0.00 57.88 57.64 2x96 h LEU 145 Cb 1.22 0.24 -0.28 0.00 0.37 0.00 0.00 40.66 42.22 2x96 h LEU 145 CO 0.61 -0.17 -0.61 -0.62 -0.34 0.00 0.00 178.44 177.31 2x96 s ASP 146 N -5.14 5.27 -0.00 1.25 -1.08 -1.26 -1.08 116.67 114.63 2x96 s ASP 146 Ca -0.14 -0.98 0.16 0.00 -0.52 0.00 0.00 52.55 51.07 2x96 s ASP 146 Cb 0.12 -1.88 -0.18 0.00 -1.46 0.00 0.00 42.92 39.52 2x96 s ASP 146 CO 0.69 -0.28 0.65 -0.81 0.52 0.00 0.00 175.17 175.94 2x96 n PRO 147 N 4.84 1.61 0.29 4.34 -0.04 -1.26 -4.99 135.00 139.79 2x96 n PRO 147 Ca -0.13 -0.01 -0.16 0.00 -0.04 0.00 0.00 63.50 63.15 2x96 n PRO 147 Cb 0.46 -1.27 -0.08 0.00 -0.04 0.00 0.00 33.50 32.57 2x96 n PRO 147 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2x96 h GLU 148 N 0.00 -0.68 -0.39 0.54 3.07 -1.42 -1.29 114.58 114.41 2x96 h GLU 148 Ca 0.00 0.05 -0.11 0.00 -0.50 0.00 0.00 59.36 58.80 2x96 h GLU 148 Cb 0.41 0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.47 2x96 h GLU 148 CO 0.00 -0.42 -0.18 0.82 -1.40 0.00 0.00 179.01 177.83 2x96 h ILE 149 N -0.78 1.28 -0.20 3.13 2.04 -0.93 -2.85 117.51 119.20 2x96 h ILE 149 Ca -0.07 -1.31 -0.01 0.00 1.00 0.00 0.00 64.86 64.47 2x96 h ILE 149 Cb 0.57 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 2x96 h ILE 149 CO 0.12 0.44 0.08 -0.33 0.00 0.00 0.00 178.15 178.46 2x96 h GLU 150 N 0.62 0.27 -0.42 2.37 5.08 -1.08 -1.30 114.58 120.11 2x96 h GLU 150 Ca 0.09 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 2x96 h GLU 150 Cb 0.73 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 2x96 h GLU 150 CO 0.06 0.23 0.06 1.49 -1.00 0.00 0.00 179.01 179.84 2x96 h GLU 151 N 0.28 0.71 -0.01 2.33 4.81 -1.01 -2.16 114.58 119.53 2x96 h GLU 151 Ca 0.07 -0.20 -0.00 0.00 -0.13 0.00 0.00 59.36 59.10 2x96 h GLU 151 Cb 0.05 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.35 2x96 h GLU 151 CO -0.01 0.75 0.00 0.28 -0.73 0.00 0.00 179.01 179.30 2x96 h VAL 152 N 0.56 1.22 -0.91 0.32 2.07 -1.21 -1.48 116.25 116.82 2x96 h VAL 152 Ca 0.13 -0.66 0.11 0.00 0.82 0.00 0.00 66.70 67.10 2x96 h VAL 152 Cb 0.39 1.65 -0.07 0.00 -1.52 0.00 0.00 31.29 31.75 2x96 h VAL 152 CO 0.01 0.17 0.58 0.40 0.02 0.00 0.00 177.57 178.76 2x96 h ILE 153 N -0.26 0.94 0.00 4.57 1.08 -1.28 0.11 117.51 122.68 2x96 h ILE 153 Ca 0.00 -0.30 -0.17 0.00 -0.39 0.00 0.00 64.86 64.00 2x96 h ILE 153 Cb 0.28 -0.01 -0.02 0.00 -3.07 0.00 0.00 36.82 33.99 2x96 h ILE 153 CO 0.00 0.16 -0.84 0.77 -0.69 0.00 0.00 178.15 177.55 2x96 h SER 154 N 0.88 0.00 0.00 1.72 4.64 -1.30 -3.36 113.55 116.13 2x96 h SER 154 Ca 0.43 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.58 2x96 h SER 154 Cb 0.46 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.52 2x96 h SER 154 CO -0.19 0.76 -1.63 0.29 -0.87 0.00 0.00 176.83 175.19 2x96 n LYS 155 N -3.26 1.27 -2.15 4.77 5.02 -0.57 -4.74 118.16 118.50 2x96 n LYS 155 Ca -0.00 0.03 -0.41 0.00 -2.02 0.00 0.00 58.31 55.91 2x96 n LYS 155 Cb 0.85 -1.23 -0.03 0.00 -0.02 0.00 0.00 35.03 34.61 2x96 n LYS 155 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2x96 s SER 156 N -4.66 6.83 -0.22 4.39 0.15 0.34 -4.93 113.70 115.60 2x96 s SER 156 Ca -0.10 2.57 0.13 0.00 0.70 0.00 0.00 55.95 59.24 2x96 s SER 156 Cb 0.03 -2.63 0.45 0.00 -1.71 0.00 0.00 66.02 62.16 2x96 s SER 156 CO 0.30 -0.53 1.35 0.54 1.20 0.00 0.00 173.24 176.10 2x96 n ARG 157 N 1.60 1.88 -3.29 5.44 5.12 -1.26 -4.92 116.66 121.24 2x96 n ARG 157 Ca 0.03 -3.05 -0.44 0.00 -1.93 0.00 0.00 57.85 52.46 2x96 n ARG 157 Cb 0.42 -1.72 -0.07 0.00 -1.16 0.00 0.00 32.46 29.93 2x96 n ARG 157 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2x96 s ASP 158 N -2.65 6.18 0.44 0.55 -1.08 -1.26 -4.97 116.67 113.88 2x96 s ASP 158 Ca 0.40 -1.26 0.10 0.00 -0.52 0.00 0.00 52.55 51.27 2x96 s ASP 158 Cb 0.36 -2.23 0.98 0.00 -1.46 0.00 0.00 42.92 40.58 2x96 s ASP 158 CO 0.00 -0.78 2.08 1.12 0.52 0.00 0.00 175.17 178.11 2x96 h HIS 159 N 8.88 0.33 -0.12 -5.34 2.07 -1.97 -0.53 115.15 118.47 2x96 h HIS 159 Ca -0.28 0.00 -0.22 0.00 -2.85 0.00 0.00 60.37 57.02 2x96 h HIS 159 Cb 1.10 -0.11 0.01 0.00 2.57 0.00 0.00 27.41 30.98 2x96 h HIS 159 CO 0.70 0.23 -0.80 0.93 -3.07 0.00 0.00 177.93 175.91 2x96 h GLU 160 N 0.35 0.70 -0.20 5.12 5.08 -1.99 -1.53 114.58 122.12 2x96 h GLU 160 Ca 0.09 -0.59 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2x96 h GLU 160 Cb -0.01 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2x96 h GLU 160 CO -0.02 1.20 0.13 1.49 -1.00 0.00 0.00 179.01 180.81 2x96 h GLU 161 N 0.46 0.26 -0.73 2.33 4.81 -1.82 -0.98 114.58 118.92 2x96 h GLU 161 Ca -0.06 -0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.23 2x96 h GLU 161 Cb 1.42 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 30.68 2x96 h GLU 161 CO 0.16 0.18 0.41 -0.07 -0.73 0.00 0.00 179.01 178.95 2x96 h LEU 162 N 0.26 0.59 -0.70 1.64 3.38 -1.10 -2.25 115.31 117.14 2x96 h LEU 162 Ca 0.07 0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 2x96 h LEU 162 Cb -0.03 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2x96 h LEU 162 CO -0.02 0.37 -0.25 0.00 0.09 0.00 0.00 178.44 178.63 2x96 h ALA 163 N 1.39 0.88 -0.11 1.53 0.00 -1.03 -1.39 119.26 120.53 2x96 h ALA 163 Ca 0.34 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.88 2x96 h ALA 163 Cb 0.25 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2x96 h ALA 163 CO -0.21 0.63 0.00 -0.92 0.00 0.00 0.00 179.25 178.75 2x96 h TYR 164 N 0.64 -0.00 -0.29 0.00 3.20 -0.73 -1.43 116.97 118.36 2x96 h TYR 164 Ca 0.08 0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.84 2x96 h TYR 164 Cb 0.76 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.03 2x96 h TYR 164 CO 0.04 -0.01 -0.34 1.88 -1.64 0.00 0.00 178.16 178.09 2x96 h TYR 165 N 0.04 0.73 0.17 -3.82 0.05 -1.29 -1.61 116.97 111.24 2x96 h TYR 165 Ca 0.05 -0.19 0.01 0.00 0.05 0.00 0.00 58.73 58.65 2x96 h TYR 165 Cb 0.06 -0.16 -0.03 0.00 1.01 0.00 0.00 36.73 37.60 2x96 h TYR 165 CO -0.13 0.88 -0.26 2.35 -1.05 0.00 0.00 178.16 179.95 2x96 h TRP 166 N 0.53 -0.71 -0.39 4.88 7.01 -1.10 -1.29 115.95 124.88 2x96 h TRP 166 Ca 0.06 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.05 2x96 h TRP 166 Cb 0.84 0.29 -0.02 0.00 -2.10 0.00 0.00 29.16 28.17 2x96 h TRP 166 CO 0.04 -0.37 0.16 -0.09 -2.79 0.00 0.00 178.44 175.38 2x96 h ARG 167 N -0.50 0.59 -0.39 2.65 2.43 -1.12 -1.57 114.38 116.47 2x96 h ARG 167 Ca 0.02 -0.11 0.02 0.00 -0.81 0.00 0.00 59.98 59.10 2x96 h ARG 167 Cb 0.51 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.93 2x96 h ARG 167 CO -0.12 0.56 0.22 0.93 -1.51 0.00 0.00 179.97 180.05 2x96 h GLU 168 N 0.49 0.44 0.00 0.20 4.39 -1.24 -1.77 114.58 117.10 2x96 h GLU 168 Ca 0.13 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.80 2x96 h GLU 168 Cb 0.19 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 2x96 h GLU 168 CO -0.01 0.29 -0.00 0.35 -1.16 0.00 0.00 179.01 178.48 2x96 h PHE 169 N 0.45 -0.00 -0.76 4.33 3.57 -1.07 -2.87 116.94 120.58 2x96 h PHE 169 Ca 0.15 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 2x96 h PHE 169 Cb 0.01 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.72 2x96 h PHE 169 CO -0.08 0.36 0.39 1.88 -2.23 0.00 0.00 178.31 178.64 2x96 h TYR 170 N -0.37 1.06 -0.85 0.41 -1.99 -1.25 0.21 116.97 114.20 2x96 h TYR 170 Ca -0.00 -0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.69 2x96 h TYR 170 Cb 0.37 -0.34 -0.04 0.00 2.00 0.00 0.00 36.73 38.72 2x96 h TYR 170 CO 0.05 0.76 0.50 -0.44 -0.00 0.00 0.00 178.16 179.03 2x96 h ASP 171 N 1.07 1.02 0.26 3.88 3.32 -1.35 0.28 116.42 124.91 2x96 h ASP 171 Ca 0.27 -0.06 -0.34 0.00 0.02 0.00 0.00 57.03 56.91 2x96 h ASP 171 Cb 0.07 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.36 2x96 h ASP 171 CO -0.04 0.79 -1.75 0.11 -1.72 0.00 0.00 179.24 176.63 2x96 h LYS 172 N 1.17 0.31 0.00 3.56 1.57 -1.16 -2.97 116.57 119.05 2x96 h LYS 172 Ca 0.30 -0.53 -0.15 0.00 -1.87 0.00 0.00 60.65 58.40 2x96 h LYS 172 Cb -0.04 0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 2x96 h LYS 172 CO -0.06 1.20 -1.39 0.00 -0.57 0.00 0.00 179.45 178.64 2x96 n ALA 173 N -2.83 1.98 -0.40 3.86 0.00 0.69 -4.29 120.51 119.53 2x96 n ALA 173 Ca -0.24 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.69 2x96 n ALA 173 Cb 1.06 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 19.54 2x96 n ALA 173 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x96 n GLY 174 N 1.38 -0.46 0.37 0.00 0.00 0.06 -3.47 105.19 103.07 2x96 n GLY 174 Ca -0.09 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.00 2x96 n GLY 174 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2x96 h THR 175 N 0.00 0.94 -0.02 2.61 2.02 -0.71 -2.42 112.91 115.33 2x96 h THR 175 Ca 0.00 -0.33 0.01 0.00 0.77 0.00 0.00 66.41 66.86 2x96 h THR 175 Cb 0.00 -0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 66.30 2x96 h THR 175 CO 0.00 0.18 0.09 0.00 0.37 0.00 0.00 175.52 176.16 2x96 h ALA 176 N 1.54 1.22 -0.22 6.16 0.00 -1.71 -2.47 119.26 123.79 2x96 h ALA 176 Ca 0.47 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.33 2x96 h ALA 176 Cb 0.46 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2x96 h ALA 176 CO -0.23 -0.11 -0.03 1.33 0.00 0.00 0.00 179.25 180.22 2x96 n VAL 177 N -3.21 2.27 -0.02 0.00 0.24 -0.91 -4.79 118.33 111.92 2x96 n VAL 177 Ca -0.02 -2.20 -0.09 0.00 -2.04 0.00 0.00 64.34 59.99 2x96 n VAL 177 Cb 0.17 -0.27 -0.03 0.00 -1.47 0.00 0.00 33.84 32.24 2x96 n VAL 177 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 2x96 h ARG 178 N 1.23 -0.14 -0.75 7.34 2.43 -1.56 -0.16 114.38 122.77 2x96 h ARG 178 Ca 0.05 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.20 2x96 h ARG 178 Cb 1.40 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.95 2x96 h ARG 178 CO 0.21 -0.10 0.35 0.66 -1.51 0.00 0.00 179.97 179.59 2x96 h SER 179 N -0.15 0.97 -0.34 -3.80 4.64 -1.86 -0.31 113.55 112.70 2x96 h SER 179 Ca 0.10 -0.11 -0.04 0.00 -0.47 0.00 0.00 61.79 61.27 2x96 h SER 179 Cb 0.30 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 2x96 h SER 179 CO -0.25 0.82 0.05 1.56 -0.87 0.00 0.00 176.83 178.14 2x96 h GLN 180 N 1.06 0.57 -0.82 4.77 7.50 -1.84 -2.40 115.11 123.95 2x96 h GLN 180 Ca 0.26 -0.15 0.01 0.00 0.50 0.00 0.00 58.65 59.26 2x96 h GLN 180 Cb 0.11 -0.06 -0.04 0.00 0.05 0.00 0.00 27.48 27.54 2x96 h GLN 180 CO -0.03 0.65 0.54 0.35 -1.50 0.00 0.00 178.83 178.84 2x96 h PHE 181 N 0.40 1.03 -0.45 2.96 3.57 -0.58 -0.08 116.94 123.79 2x96 h PHE 181 Ca 0.10 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.66 2x96 h PHE 181 Cb 0.36 -0.35 -0.04 0.00 2.79 0.00 0.00 35.95 38.72 2x96 h PHE 181 CO 0.02 0.64 0.22 0.93 -2.23 0.00 0.00 178.31 177.90 2x96 h GLU 182 N 1.11 0.44 -0.36 1.11 5.08 -0.96 -0.60 114.58 120.39 2x96 h GLU 182 Ca 0.30 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.55 2x96 h GLU 182 Cb -0.12 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 2x96 h GLU 182 CO -0.07 0.29 -0.16 -0.09 -1.00 0.00 0.00 179.01 177.98 2x96 h ARG 183 N 0.45 0.66 -0.34 2.33 9.65 -1.04 -2.64 114.38 123.45 2x96 h ARG 183 Ca 0.20 -0.23 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 2x96 h ARG 183 Cb 0.10 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.62 2x96 h ARG 183 CO -0.14 0.79 0.21 -0.92 2.80 0.00 0.00 179.97 182.71 2x96 h TYR 184 N 0.59 0.43 -0.65 2.20 3.20 -0.51 -1.44 116.97 120.80 2x96 h TYR 184 Ca 0.10 0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.01 2x96 h TYR 184 Cb 0.61 -0.14 -0.05 0.00 1.54 0.00 0.00 36.73 38.68 2x96 h TYR 184 CO 0.03 0.30 0.38 0.28 -1.64 0.00 0.00 178.16 177.50 2x96 h VAL 185 N 0.44 1.03 -0.22 1.81 2.07 -1.01 0.16 116.25 120.52 2x96 h VAL 185 Ca 0.12 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.39 2x96 h VAL 185 Cb -0.02 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 2x96 h VAL 185 CO -0.02 0.13 0.14 -0.33 0.02 0.00 0.00 177.57 177.51 2x96 h GLU 186 N 0.72 0.30 -0.08 1.57 5.08 -1.19 -1.39 114.58 119.59 2x96 h GLU 186 Ca 0.27 -0.02 -0.19 0.00 -1.00 0.00 0.00 59.36 58.42 2x96 h GLU 186 Cb 0.10 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 2x96 h GLU 186 CO -0.14 0.22 -0.75 -0.07 -1.00 0.00 0.00 179.01 177.27 2x96 h LEU 187 N 0.29 0.53 -0.57 1.33 3.38 -0.99 -1.37 115.31 117.90 2x96 h LEU 187 Ca 0.08 -0.35 0.02 0.00 0.09 0.00 0.00 57.88 57.72 2x96 h LEU 187 Cb -0.01 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 2x96 h LEU 187 CO -0.02 1.10 0.35 -1.13 0.09 0.00 0.00 178.44 178.84 2x96 h ASN 188 N 0.30 0.58 -0.25 -0.43 -0.73 -0.62 -0.63 115.58 113.80 2x96 h ASN 188 Ca -0.04 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.12 2x96 h ASN 188 Cb 1.33 -0.12 -0.01 0.00 0.27 0.00 0.00 38.32 39.79 2x96 h ASN 188 CO 0.13 0.40 0.09 0.74 -0.37 0.00 0.00 177.43 178.43 2x96 h THR 189 N 0.70 1.18 -0.98 -3.57 2.02 -1.12 -1.64 112.91 109.49 2x96 h THR 189 Ca 0.23 -0.56 0.05 0.00 0.77 0.00 0.00 66.41 66.89 2x96 h THR 189 Cb 0.01 1.09 -0.06 0.00 -1.74 0.00 0.00 68.15 67.45 2x96 h THR 189 CO -0.09 0.19 0.64 0.50 0.37 0.00 0.00 175.52 177.12 2x96 h LYS 190 N 0.25 1.18 -0.20 6.66 3.64 -1.04 -1.42 116.57 125.64 2x96 h LYS 190 Ca 0.08 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 2x96 h LYS 190 Cb 0.20 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 2x96 h LYS 190 CO -0.00 0.78 0.03 0.00 -2.27 0.00 0.00 179.45 177.98 2x96 h ALA 191 N 1.42 0.26 -0.58 5.00 0.00 -0.92 -1.94 119.26 122.50 2x96 h ALA 191 Ca 0.40 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.17 2x96 h ALA 191 Cb 0.06 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 2x96 h ALA 191 CO -0.14 -0.06 0.34 0.00 0.00 0.00 0.00 179.25 179.39 2x96 h ALA 192 N 0.83 0.76 -0.16 0.00 0.00 -0.97 -2.36 119.26 117.36 2x96 h ALA 192 Ca 0.06 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 2x96 h ALA 192 Cb 0.32 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2x96 h ALA 192 CO 0.00 0.04 -0.29 0.87 0.00 0.00 0.00 179.25 179.87 2x96 h LYS 193 N 0.66 0.30 0.00 0.00 1.57 -1.20 -0.61 116.57 117.29 2x96 h LYS 193 Ca 0.25 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.88 2x96 h LYS 193 Cb 0.08 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 2x96 h LYS 193 CO -0.13 0.57 -0.16 -0.07 -0.57 0.00 0.00 179.45 179.09 2x96 h LEU 194 N 0.27 0.00 -1.53 2.94 3.38 -0.90 -0.71 115.31 118.75 2x96 h LEU 194 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2x96 h LEU 194 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2x96 h LEU 194 CO 0.05 0.16 0.00 0.59 0.09 0.00 0.00 178.44 179.32 2x96 n ASN 195 N -3.52 2.27 -1.64 -0.43 3.02 -0.76 -4.95 115.26 109.25 2x96 n ASN 195 Ca -0.01 -1.87 -0.17 0.00 -0.03 0.00 0.00 54.58 52.50 2x96 n ASN 195 Cb 0.31 -0.21 -0.04 0.00 -0.61 0.00 0.00 39.78 39.23 2x96 n ASN 195 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2x96 n ASN 196 N 0.72 -5.05 -4.88 6.41 3.02 -0.27 -5.03 115.26 110.19 2x96 n ASN 196 Ca 0.16 0.20 -0.30 0.00 -0.03 0.00 0.00 54.58 54.61 2x96 n ASN 196 Cb 0.40 -4.10 -0.04 0.00 -0.61 0.00 0.00 39.78 35.43 2x96 n ASN 196 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2x96 s PHE 197 N -2.75 3.45 0.20 3.10 0.08 -0.31 -4.98 117.98 116.77 2x96 s PHE 197 Ca 0.00 0.99 -0.09 0.00 0.12 0.00 0.00 56.93 57.95 2x96 s PHE 197 Cb 0.00 -2.39 0.12 0.00 -0.57 0.00 0.00 43.02 40.19 2x96 s PHE 197 CO 0.00 0.01 1.74 1.15 -0.10 0.00 0.00 175.22 178.02 2x96 h THR 198 N 1.36 1.26 -2.95 0.64 2.02 -1.95 -3.23 112.91 110.05 2x96 h THR 198 Ca -0.47 -0.87 -0.02 0.00 0.77 0.00 0.00 66.41 65.82 2x96 h THR 198 Cb 1.18 0.45 0.01 0.00 -1.74 0.00 0.00 68.15 68.06 2x96 h THR 198 CO 0.65 0.34 0.30 -1.54 0.37 0.00 0.00 175.52 175.64 2x96 n SER 199 N -4.29 -2.25 0.28 4.18 3.41 -1.26 -4.73 113.62 108.96 2x96 n SER 199 Ca 0.06 -2.53 0.13 0.00 -0.26 0.00 0.00 58.87 56.26 2x96 n SER 199 Cb 0.22 3.74 0.80 0.00 -0.26 0.00 0.00 64.21 68.70 2x96 n SER 199 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2x96 h GLY 200 N 1.96 0.00 0.81 5.00 0.00 -1.81 -1.93 103.07 107.10 2x96 h GLY 200 Ca -0.33 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.01 2x96 h GLY 200 CO 0.42 0.00 -0.08 0.00 0.00 0.00 0.00 176.54 176.88 2x96 h ALA 201 N 1.95 -0.10 -0.30 3.60 0.00 -1.90 -0.45 119.26 122.05 2x96 h ALA 201 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2x96 h ALA 201 Cb 0.13 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2x96 h ALA 201 CO 0.01 -0.58 -0.25 0.93 0.00 0.00 0.00 179.25 179.36 2x96 h GLU 202 N -0.15 0.59 -0.28 0.00 3.07 -1.82 -0.84 114.58 115.16 2x96 h GLU 202 Ca 0.03 -0.23 0.00 0.00 -0.50 0.00 0.00 59.36 58.65 2x96 h GLU 202 Cb 0.18 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 2x96 h GLU 202 CO -0.07 0.79 0.18 0.00 -1.40 0.00 0.00 179.01 178.51 2x96 h ALA 203 N 1.21 0.35 -0.40 3.43 0.00 -1.19 -1.48 119.26 121.18 2x96 h ALA 203 Ca 0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2x96 h ALA 203 Cb 0.71 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2x96 h ALA 203 CO 0.05 -0.18 0.19 -1.49 0.00 0.00 0.00 179.25 177.83 2x96 h TRP 204 N 0.38 0.57 0.00 0.00 6.55 -0.78 -3.06 115.95 119.60 2x96 h TRP 204 Ca 0.10 -0.03 -0.02 0.00 0.95 0.00 0.00 58.89 59.90 2x96 h TRP 204 Cb -0.04 -0.18 -0.00 0.00 -0.86 0.00 0.00 29.16 28.08 2x96 h TRP 204 CO -0.06 0.47 -0.09 -0.07 -1.05 0.00 0.00 178.44 177.64 2x96 h LEU 205 N 0.50 0.00 -2.09 -4.49 3.38 -0.96 -2.54 115.31 109.11 2x96 h LEU 205 Ca 0.14 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.16 2x96 h LEU 205 Cb 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2x96 h LEU 205 CO -0.02 0.09 0.14 -0.78 0.09 0.00 0.00 178.44 177.96 2x96 h ASP 206 N 0.00 0.00 0.37 -0.43 3.58 -1.16 -1.90 116.42 116.88 2x96 h ASP 206 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2x96 h ASP 206 Cb 0.38 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.43 2x96 h ASP 206 CO 0.01 0.00 0.00 -0.33 -2.88 0.00 0.00 179.24 176.04 2x96 h GLU 207 N 0.00 0.00 -0.02 0.28 4.39 -1.61 -2.37 114.58 115.26 2x96 h GLU 207 Ca 0.08 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.78 2x96 h GLU 207 Cb 0.35 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 2x96 h GLU 207 CO -0.00 0.00 -0.22 0.66 -1.16 0.00 0.00 179.01 178.29 2x96 n TYR 208 N -2.54 0.00 -4.11 4.33 4.01 -0.71 -4.59 117.16 113.55 2x96 n TYR 208 Ca -0.00 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.44 2x96 n TYR 208 Cb 0.14 -0.02 -0.05 0.00 -0.31 0.00 0.00 39.34 39.10 2x96 n TYR 208 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2x96 n GLU 209 N 0.41 -2.01 -3.20 -0.72 1.02 -0.89 -4.91 120.64 110.34 2x96 n GLU 209 Ca 0.13 0.25 0.04 0.00 -0.02 0.00 0.00 57.16 57.55 2x96 n GLU 209 Cb 0.49 -3.98 -0.01 0.00 -0.02 0.00 0.00 31.44 27.91 2x96 n GLU 209 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2x96 s ASP 210 N -4.30 -1.33 0.12 1.62 3.68 -1.26 -5.00 116.67 110.20 2x96 s ASP 210 Ca 0.05 0.93 0.17 0.00 2.13 0.00 0.00 52.55 55.82 2x96 s ASP 210 Cb -0.02 2.16 0.73 0.00 -1.45 0.00 0.00 42.92 44.33 2x96 s ASP 210 CO 0.94 -0.25 1.51 -0.90 0.13 0.00 0.00 175.17 176.61 2x96 n ASP 211 N 5.43 0.29 -0.93 -0.34 5.75 -1.26 -1.98 116.55 123.51 2x96 n ASP 211 Ca -0.02 0.58 0.08 0.00 -0.01 0.00 0.00 54.79 55.42 2x96 n ASP 211 Cb 0.51 -0.64 0.26 0.00 -1.03 0.00 0.00 41.12 40.21 2x96 n ASP 211 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2x96 n THR 212 N -1.84 2.12 -0.20 2.12 -2.24 -1.26 -4.78 114.28 108.21 2x96 n THR 212 Ca 0.02 -1.71 -0.06 0.00 -2.27 0.00 0.00 64.05 60.03 2x96 n THR 212 Cb 0.16 -0.14 0.03 0.00 -2.10 0.00 0.00 70.33 68.28 2x96 n THR 212 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2x96 h PHE 213 N 2.02 0.72 -0.41 4.78 3.57 -1.81 -1.41 116.94 124.41 2x96 h PHE 213 Ca 0.00 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.52 2x96 h PHE 213 Cb 1.37 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.85 2x96 h PHE 213 CO 0.50 0.46 0.27 0.93 -2.23 0.00 0.00 178.31 178.24 2x96 h GLU 214 N 0.77 0.54 -0.78 1.11 5.08 -1.86 -2.02 114.58 117.42 2x96 h GLU 214 Ca 0.21 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.49 2x96 h GLU 214 Cb -0.08 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.01 2x96 h GLU 214 CO -0.04 0.36 0.31 0.37 -1.00 0.00 0.00 179.01 179.00 2x96 h GLN 215 N 0.55 1.16 -0.61 2.33 5.75 -1.84 -0.74 115.11 121.71 2x96 h GLN 215 Ca 0.15 -0.21 0.06 0.00 -0.15 0.00 0.00 58.65 58.50 2x96 h GLN 215 Cb -0.06 -0.19 -0.05 0.00 1.07 0.00 0.00 27.48 28.25 2x96 h GLN 215 CO -0.04 0.94 0.33 1.96 -2.65 0.00 0.00 178.83 179.37 2x96 h GLN 216 N 1.13 0.59 -0.42 1.69 4.20 -0.88 -0.27 115.11 121.15 2x96 h GLN 216 Ca 0.26 -0.04 -0.15 0.00 0.06 0.00 0.00 58.65 58.79 2x96 h GLN 216 Cb 0.21 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 2x96 h GLN 216 CO -0.02 0.39 -0.31 -0.07 -0.67 0.00 0.00 178.83 178.15 2x96 h LEU 217 N 0.61 0.98 -0.75 1.46 3.38 -1.05 -1.83 115.31 118.11 2x96 h LEU 217 Ca 0.28 -0.41 0.04 0.00 0.09 0.00 0.00 57.88 57.88 2x96 h LEU 217 Cb 0.18 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.60 2x96 h LEU 217 CO -0.18 1.20 0.46 -0.33 0.09 0.00 0.00 178.44 179.68 2x96 h GLU 218 N 0.79 0.85 -0.20 1.13 4.39 -0.74 0.11 114.58 120.91 2x96 h GLU 218 Ca 0.08 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 2x96 h GLU 218 Cb 0.89 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.34 2x96 h GLU 218 CO 0.08 0.56 0.06 -0.44 -1.16 0.00 0.00 179.01 178.11 2x96 h ASP 219 N 0.87 0.30 -0.44 1.42 3.32 -0.91 -0.57 116.42 120.42 2x96 h ASP 219 Ca 0.32 -0.21 -0.05 0.00 0.02 0.00 0.00 57.03 57.11 2x96 h ASP 219 Cb 0.09 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 2x96 h ASP 219 CO -0.14 0.43 0.08 0.40 -1.72 0.00 0.00 179.24 178.29 2x96 h ILE 220 N 0.15 1.24 -0.73 0.35 2.04 -1.15 -2.76 117.51 116.66 2x96 h ILE 220 Ca 0.06 -0.86 -0.01 0.00 1.00 0.00 0.00 64.86 65.05 2x96 h ILE 220 Cb 0.24 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 2x96 h ILE 220 CO -0.00 0.30 0.41 0.15 0.00 0.00 0.00 178.15 179.01 2x96 h PHE 221 N 0.58 0.99 -0.73 1.37 3.57 -0.70 -2.34 116.94 119.67 2x96 h PHE 221 Ca 0.13 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.68 2x96 h PHE 221 Cb 0.36 -0.32 -0.05 0.00 2.79 0.00 0.00 35.95 38.74 2x96 h PHE 221 CO 0.02 0.69 0.48 0.00 -2.23 0.00 0.00 178.31 177.27 2x96 h ALA 222 N 1.21 1.69 -0.37 2.41 0.00 -0.96 0.99 119.26 124.24 2x96 h ALA 222 Ca 0.26 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 2x96 h ALA 222 Cb 0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2x96 h ALA 222 CO -0.04 0.19 -0.31 -0.44 0.00 0.00 0.00 179.25 178.65 2x96 h ASP 223 N 0.77 0.85 1.11 0.00 3.32 -1.14 -3.27 116.42 118.06 2x96 h ASP 223 Ca 0.31 -0.35 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 2x96 h ASP 223 Cb 0.25 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 2x96 h ASP 223 CO -0.10 1.09 -0.90 0.40 -1.72 0.00 0.00 179.24 178.01 2x96 h ILE 224 N 0.69 0.03 -0.81 0.35 1.08 -1.08 -3.39 117.51 114.37 2x96 h ILE 224 Ca 0.08 -1.06 0.13 0.00 -0.39 0.00 0.00 64.86 63.61 2x96 h ILE 224 Cb 0.85 1.59 -0.09 0.00 -3.07 0.00 0.00 36.82 36.11 2x96 h ILE 224 CO 0.07 0.02 0.42 -0.09 -0.69 0.00 0.00 178.15 177.88 2x96 h ARG 225 N 0.00 0.62 -0.86 2.37 2.43 -0.86 -1.94 114.38 116.14 2x96 h ARG 225 Ca -0.01 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.15 2x96 h ARG 225 Cb 1.03 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 30.40 2x96 h ARG 225 CO 0.00 0.41 0.57 -1.35 -1.51 0.00 0.00 179.97 178.09 2x96 h PRO 226 N 0.64 1.09 -0.71 0.20 0.11 -1.76 -0.80 132.00 130.76 2x96 h PRO 226 Ca 0.43 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 66.44 2x96 h PRO 226 Cb 0.54 -0.25 -0.03 0.00 0.11 0.00 0.00 31.00 31.37 2x96 h PRO 226 CO -0.33 0.72 0.34 1.25 -0.21 0.00 0.00 178.00 179.77 2x96 h LEU 227 N 1.12 0.94 -0.80 2.35 5.85 -1.64 -2.59 115.31 120.54 2x96 h LEU 227 Ca 0.33 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.93 2x96 h LEU 227 Cb -0.05 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.69 2x96 h LEU 227 CO -0.09 0.81 0.52 0.22 -0.34 0.00 0.00 178.44 179.57 2x96 h TYR 228 N 1.00 0.98 -0.96 1.25 3.20 -0.95 -2.18 116.97 119.31 2x96 h TYR 228 Ca 0.24 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.18 2x96 h TYR 228 Cb 0.13 -0.33 -0.06 0.00 1.54 0.00 0.00 36.73 38.01 2x96 h TYR 228 CO 0.01 0.59 0.63 1.96 -1.64 0.00 0.00 178.16 179.70 2x96 h GLN 229 N 1.03 1.14 -0.45 1.82 1.08 -0.90 0.61 115.11 119.45 2x96 h GLN 229 Ca 0.31 -0.07 -0.10 0.00 -1.45 0.00 0.00 58.65 57.34 2x96 h GLN 229 Cb -0.05 -0.26 -0.01 0.00 -0.05 0.00 0.00 27.48 27.11 2x96 h GLN 229 CO -0.09 0.75 -0.10 1.96 -0.95 0.00 0.00 178.83 180.40 2x96 h GLN 230 N 1.17 0.86 -0.16 1.46 1.08 -1.09 -0.64 115.11 117.80 2x96 h GLN 230 Ca 0.39 -0.33 -0.03 0.00 -1.45 0.00 0.00 58.65 57.24 2x96 h GLN 230 Cb 0.07 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.44 2x96 h GLN 230 CO -0.13 0.96 -0.01 0.82 -0.95 0.00 0.00 178.83 179.52 2x96 h ILE 231 N 0.70 1.27 -0.23 2.54 2.04 -1.02 -1.41 117.51 121.39 2x96 h ILE 231 Ca 0.11 -0.90 0.06 0.00 1.00 0.00 0.00 64.86 65.14 2x96 h ILE 231 Cb 0.64 1.55 -0.07 0.00 -0.74 0.00 0.00 36.82 38.20 2x96 h ILE 231 CO 0.04 0.27 -0.23 -0.74 0.00 0.00 0.00 178.15 177.48 2x96 h HIS 232 N 0.02 -0.62 -0.40 1.37 2.76 -0.86 -0.06 115.15 117.35 2x96 h HIS 232 Ca 0.04 0.04 0.03 0.00 -2.20 0.00 0.00 60.37 58.28 2x96 h HIS 232 Cb 0.41 0.31 -0.04 0.00 1.55 0.00 0.00 27.41 29.65 2x96 h HIS 232 CO 0.04 -0.31 0.20 0.78 -1.30 0.00 0.00 177.93 177.33 2x96 h GLY 233 N -0.24 0.55 0.93 5.26 0.00 -1.01 -1.00 103.07 107.55 2x96 h GLY 233 Ca 0.13 -0.14 -0.04 0.00 0.00 0.00 0.00 47.33 47.28 2x96 h GLY 233 CO -0.38 0.09 0.06 -1.82 0.00 0.00 0.00 176.54 174.50 2x96 h TYR 234 N 0.40 0.66 -0.51 5.60 5.03 -0.99 -1.63 116.97 125.53 2x96 h TYR 234 Ca 0.17 -0.09 -0.01 0.00 2.58 0.00 0.00 58.73 61.38 2x96 h TYR 234 Cb 0.09 -0.18 -0.02 0.00 1.55 0.00 0.00 36.73 38.16 2x96 h TYR 234 CO -0.11 0.66 0.29 0.28 -1.32 0.00 0.00 178.16 177.97 2x96 h VAL 235 N 0.47 1.17 -0.46 1.81 2.07 -0.77 -1.12 116.25 119.42 2x96 h VAL 235 Ca 0.11 -0.42 0.02 0.00 0.82 0.00 0.00 66.70 67.24 2x96 h VAL 235 Cb 0.36 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 2x96 h VAL 235 CO 0.01 0.18 0.27 -0.09 0.02 0.00 0.00 177.57 177.96 2x96 h ARG 236 N 0.68 0.53 -0.36 1.57 2.43 -1.12 0.67 114.38 118.78 2x96 h ARG 236 Ca 0.18 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.38 2x96 h ARG 236 Cb 0.03 -0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 29.41 2x96 h ARG 236 CO -0.03 0.35 0.01 0.35 -1.51 0.00 0.00 179.97 179.14 2x96 h PHE 237 N 0.54 0.01 -0.28 2.20 3.57 -0.98 -1.63 116.94 120.37 2x96 h PHE 237 Ca 0.18 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.59 2x96 h PHE 237 Cb 0.02 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 2x96 h PHE 237 CO -0.07 -0.05 -0.33 0.00 -2.23 0.00 0.00 178.31 175.63 2x96 h ARG 238 N 0.12 0.61 -0.18 1.11 2.47 -0.80 -2.86 114.38 114.85 2x96 h ARG 238 Ca 0.18 -0.28 -0.08 0.00 -1.26 0.00 0.00 59.98 58.54 2x96 h ARG 238 Cb 0.24 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.53 2x96 h ARG 238 CO -0.28 0.86 -0.22 -0.07 0.56 0.00 0.00 179.97 180.82 2x96 h LEU 239 N 0.52 0.32 -1.00 3.04 3.38 -0.65 -2.71 115.31 118.20 2x96 h LEU 239 Ca 0.06 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 2x96 h LEU 239 Cb 0.82 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 2x96 h LEU 239 CO 0.07 0.55 0.32 0.03 0.09 0.00 0.00 178.44 179.50 2x96 h ARG 240 N 0.29 1.04 0.00 1.13 3.08 -1.07 0.11 114.38 118.96 2x96 h ARG 240 Ca 0.05 -0.16 -0.09 0.00 0.07 0.00 0.00 59.98 59.86 2x96 h ARG 240 Cb 0.56 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 2x96 h ARG 240 CO 0.04 0.82 -0.41 0.87 -1.07 0.00 0.00 179.97 180.21 2x96 h LYS 241 N 1.03 0.00 0.00 0.04 1.57 -1.37 0.58 116.57 118.42 2x96 h LYS 241 Ca 0.25 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.93 2x96 h LYS 241 Cb 0.14 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 2x96 h LYS 241 CO -0.03 0.41 -0.56 1.25 -0.57 0.00 0.00 179.45 179.96 2x96 h HIS 242 N 0.00 0.00 0.00 -1.35 2.76 -1.20 -3.41 115.15 111.96 2x96 h HIS 242 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2x96 h HIS 242 Cb 0.86 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.82 2x96 h HIS 242 CO 0.00 1.01 -1.42 0.66 -1.30 0.00 0.00 177.93 176.88 2x96 n TYR 243 N -4.56 0.52 0.00 5.26 4.01 0.35 -5.09 117.16 117.65 2x96 n TYR 243 Ca -0.18 0.15 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 2x96 n TYR 243 Cb 0.50 -0.73 0.00 0.00 -0.31 0.00 0.00 39.34 38.79 2x96 n TYR 243 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2x96 n GLY 244 N 1.23 -0.37 0.16 2.72 0.00 0.20 -4.50 105.19 104.63 2x96 n GLY 244 Ca -0.02 -1.67 0.13 0.00 0.00 0.00 0.00 46.02 44.47 2x96 n GLY 244 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2x96 h ASP 245 N 0.00 0.00 0.57 1.61 5.19 -1.73 -2.35 116.42 119.71 2x96 h ASP 245 Ca 0.00 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.36 2x96 h ASP 245 Cb 0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 2x96 h ASP 245 CO 0.00 0.00 -0.24 0.00 -3.12 0.00 0.00 179.24 175.88 2x96 h ALA 246 N 2.23 1.20 0.02 3.45 0.00 -1.95 -3.30 119.26 120.91 2x96 h ALA 246 Ca 0.00 -0.22 -0.39 0.00 0.00 0.00 0.00 54.91 54.31 2x96 h ALA 246 Cb 0.48 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 2x96 h ALA 246 CO 0.00 0.30 -2.40 0.28 0.00 0.00 0.00 179.25 177.42 2x96 n VAL 247 N -3.67 1.53 -3.95 0.00 0.31 -0.95 -4.92 118.33 106.68 2x96 n VAL 247 Ca -0.01 -0.60 -0.29 0.00 -0.01 0.00 0.00 64.34 63.43 2x96 n VAL 247 Cb 0.36 -1.42 -0.16 0.00 -0.91 0.00 0.00 33.84 31.71 2x96 n VAL 247 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2x96 s VAL 248 N -2.52 1.35 0.45 2.52 1.01 -0.93 -4.80 120.40 117.47 2x96 s VAL 248 Ca -0.32 -0.67 -0.12 0.00 0.00 0.00 0.00 61.98 60.87 2x96 s VAL 248 Cb 0.09 -1.41 -0.06 0.00 0.00 0.00 0.00 36.38 35.00 2x96 s VAL 248 CO 0.63 0.26 0.83 -0.94 0.00 0.00 0.00 175.10 175.89 2x96 s SER 249 N 1.55 6.51 0.26 3.32 1.04 -1.26 -4.18 113.70 120.94 2x96 s SER 249 Ca 0.02 1.23 0.03 0.00 0.48 0.00 0.00 55.95 57.71 2x96 s SER 249 Cb -0.14 -2.37 0.33 0.00 0.10 0.00 0.00 66.02 63.94 2x96 s SER 249 CO -0.09 -0.48 1.64 -0.08 0.98 0.00 0.00 173.24 175.22 2x96 h GLU 250 N 1.03 0.40 0.00 4.02 4.81 -1.95 -3.36 114.58 119.54 2x96 h GLU 250 Ca -0.47 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 58.56 2x96 h GLU 250 Cb 1.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.57 2x96 h GLU 250 CO 0.63 0.74 -0.76 0.25 -0.73 0.00 0.00 179.01 179.14 2x96 n THR 251 N -4.02 0.00 -2.78 0.32 -2.24 -1.26 -4.86 114.28 99.44 2x96 n THR 251 Ca -0.02 -0.23 -0.20 0.00 -2.27 0.00 0.00 64.05 61.33 2x96 n THR 251 Cb 0.50 0.84 0.04 0.00 -2.10 0.00 0.00 70.33 69.61 2x96 n THR 251 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2x96 s GLY 252 N -2.38 1.85 0.59 3.38 0.00 -1.26 -1.13 107.32 108.38 2x96 s GLY 252 Ca 0.03 -1.55 -0.20 0.00 0.00 0.00 0.00 44.72 43.00 2x96 s GLY 252 CO 0.49 -1.25 1.33 -4.14 0.00 0.00 0.00 173.10 169.53 2x96 s PRO 253 N -4.68 2.85 0.09 2.90 0.02 -1.26 -4.78 135.00 130.15 2x96 s PRO 253 Ca 0.58 2.16 -0.31 0.00 0.02 0.00 0.00 61.00 63.46 2x96 s PRO 253 Cb -0.09 -2.06 -0.07 0.00 0.02 0.00 0.00 34.50 32.30 2x96 s PRO 253 CO 0.38 -1.39 1.32 0.42 -0.33 0.00 0.00 177.00 177.39 2x96 s ILE 254 N -1.34 3.60 -0.03 2.83 1.01 -0.34 -4.74 121.20 122.19 2x96 s ILE 254 Ca 0.77 1.14 -0.30 0.00 0.00 0.00 0.00 60.65 62.26 2x96 s ILE 254 Cb -0.39 -3.73 -0.07 0.00 0.01 0.00 0.00 42.46 38.27 2x96 s ILE 254 CO 0.44 0.08 1.93 -2.84 0.00 0.00 0.00 174.94 174.55 2x96 s PRO 255 N 1.18 3.98 0.47 2.79 0.02 -1.26 -1.73 135.00 140.46 2x96 s PRO 255 Ca 0.62 2.40 0.25 0.00 0.02 0.00 0.00 61.00 64.29 2x96 s PRO 255 Cb -0.34 -4.15 1.12 0.00 0.02 0.00 0.00 34.50 31.15 2x96 s PRO 255 CO 0.30 -1.12 1.92 0.00 -0.33 0.00 0.00 177.00 177.76 2x96 h MET 256 N 11.05 0.00 0.00 5.54 -0.00 -1.27 -2.77 114.93 127.48 2x96 h MET 256 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.24 2x96 h MET 256 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.82 2x96 h MET 256 CO 0.95 0.19 0.00 -2.39 -0.00 0.00 0.00 176.91 175.66 2x96 n HIS 257 N -3.50 0.25 1.38 -0.10 1.44 -1.26 -2.14 115.22 111.29 2x96 n HIS 257 Ca -0.01 0.10 0.13 0.00 -2.01 0.00 0.00 57.72 55.93 2x96 n HIS 257 Cb 0.36 -0.66 0.44 0.00 0.12 0.00 0.00 29.99 30.25 2x96 n HIS 257 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2x96 n LEU 258 N -1.73 1.78 -1.03 2.39 4.77 -1.04 -4.35 117.00 117.80 2x96 n LEU 258 Ca 0.03 -0.61 0.11 0.00 -0.03 0.00 0.00 56.01 55.51 2x96 n LEU 258 Cb 0.18 -0.01 0.26 0.00 -2.33 0.00 0.00 43.42 41.52 2x96 n LEU 258 CO 0.15 0.31 0.72 0.18 -1.33 0.00 0.00 177.39 177.42 2x96 n LEU 259 N 0.40 3.06 0.00 2.23 4.77 -0.91 -4.95 117.00 121.60 2x96 n LEU 259 Ca 0.18 -1.36 0.00 0.00 -0.03 0.00 0.00 56.01 54.80 2x96 n LEU 259 Cb 0.40 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 2x96 n LEU 259 CO 0.16 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.51 2x96 n GLY 260 N 1.43 0.55 3.31 -0.72 0.00 -1.26 -4.35 105.19 104.14 2x96 n GLY 260 Ca 0.19 -0.08 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 2x96 n GLY 260 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2x96 s ASN 261 N -2.07 -0.42 0.53 1.61 3.84 -1.26 -3.99 114.94 113.18 2x96 s ASN 261 Ca 0.00 0.76 0.20 0.00 0.21 0.00 0.00 52.86 54.03 2x96 s ASN 261 Cb 0.00 0.79 1.36 0.00 -0.55 0.00 0.00 41.25 42.85 2x96 s ASN 261 CO 0.00 -0.18 2.12 -0.03 -2.79 0.00 0.00 177.10 176.22 2x96 h MET 262 N 5.28 0.00 -0.08 0.43 1.85 -1.92 -2.34 114.93 118.15 2x96 h MET 262 Ca -0.27 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.82 2x96 h MET 262 Cb 1.18 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.21 2x96 h MET 262 CO 0.26 0.00 0.00 0.91 -0.40 0.00 0.00 176.91 177.68 2x96 n TRP 263 N -4.42 0.10 -2.49 1.39 8.01 -1.26 -4.97 117.44 113.80 2x96 n TRP 263 Ca 0.00 -0.20 -0.16 0.00 -1.31 0.00 0.00 57.50 55.83 2x96 n TRP 263 Cb 0.22 -0.01 -0.01 0.00 -2.01 0.00 0.00 31.31 29.50 2x96 n TRP 263 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2x96 n ALA 264 N 0.23 -0.74 0.11 6.99 0.00 -0.88 -4.89 120.51 121.33 2x96 n ALA 264 Ca 0.05 0.13 -0.04 0.00 0.00 0.00 0.00 53.44 53.58 2x96 n ALA 264 Cb 0.23 -1.93 0.09 0.00 0.00 0.00 0.00 19.45 17.85 2x96 n ALA 264 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2x96 h GLN 265 N -0.11 0.06 -3.56 0.00 3.07 -1.93 -3.45 115.11 109.19 2x96 h GLN 265 Ca -0.38 -0.05 -0.17 0.00 0.09 0.00 0.00 58.65 58.13 2x96 h GLN 265 Cb 1.28 0.01 -0.23 0.00 0.08 0.00 0.00 27.48 28.62 2x96 h GLN 265 CO 0.45 0.75 -0.56 -0.65 0.09 0.00 0.00 178.83 178.91 2x96 s GLN 266 N -3.43 0.31 -0.06 0.06 -0.21 -1.26 -3.32 119.66 111.75 2x96 s GLN 266 Ca -0.01 -0.20 0.10 0.00 0.02 0.00 0.00 55.36 55.27 2x96 s GLN 266 Cb 0.12 0.13 0.26 0.00 1.00 0.00 0.00 33.01 34.52 2x96 s GLN 266 CO 0.79 -0.06 1.20 0.91 -2.12 0.00 0.00 175.29 176.00 2x96 n TRP 267 N 2.14 0.35 0.30 0.91 8.01 0.07 -4.46 117.44 124.76 2x96 n TRP 267 Ca -0.19 -0.66 0.17 0.00 -1.31 0.00 0.00 57.50 55.51 2x96 n TRP 267 Cb 0.57 -0.11 0.95 0.00 -2.01 0.00 0.00 31.31 30.70 2x96 n TRP 267 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 2x96 h SER 268 N 1.06 0.00 0.76 -0.99 4.64 -1.83 -2.16 113.55 115.02 2x96 h SER 268 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2x96 h SER 268 Cb 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 2x96 h SER 268 CO 0.05 0.03 0.00 -0.33 -0.87 0.00 0.00 176.83 175.71 2x96 h GLU 269 N 0.00 0.00 -0.48 4.77 4.39 -1.84 -2.40 114.58 119.02 2x96 h GLU 269 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2x96 h GLU 269 Cb 0.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 2x96 h GLU 269 CO 0.00 0.00 0.00 0.44 -1.16 0.00 0.00 179.01 178.29 2x96 n ILE 270 N -2.94 2.01 -0.12 3.13 -5.35 -0.81 -4.63 119.36 110.65 2x96 n ILE 270 Ca 0.00 -1.40 0.10 0.00 -0.27 0.00 0.00 62.75 61.18 2x96 n ILE 270 Cb 0.24 0.01 0.45 0.00 -1.74 0.00 0.00 39.64 38.60 2x96 n ILE 270 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2x96 h ALA 271 N 3.12 1.91 0.00 -1.28 0.00 -1.53 -2.02 119.26 119.45 2x96 h ALA 271 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2x96 h ALA 271 Cb 1.44 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 2x96 h ALA 271 CO 0.24 -0.04 -0.02 0.38 0.00 0.00 0.00 179.25 179.81 2x96 h ASP 272 N 0.53 0.00 -0.00 0.00 2.03 -1.84 -0.16 116.42 116.98 2x96 h ASP 272 Ca 0.29 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.59 2x96 h ASP 272 Cb 0.46 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.96 2x96 h ASP 272 CO -0.09 0.02 -0.52 2.30 -1.03 0.00 0.00 179.24 179.92 2x96 n ILE 273 N -3.18 0.00 -0.03 4.15 -5.35 -0.79 -4.61 119.36 109.55 2x96 n ILE 273 Ca -0.01 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.23 2x96 n ILE 273 Cb 0.19 1.02 0.00 0.00 -1.74 0.00 0.00 39.64 39.11 2x96 n ILE 273 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 2x96 n VAL 274 N -1.11 0.53 -2.16 7.28 0.24 -1.04 -4.79 118.33 117.27 2x96 n VAL 274 Ca 0.03 -0.75 -0.41 0.00 -2.04 0.00 0.00 64.34 61.17 2x96 n VAL 274 Cb 0.20 0.75 -0.03 0.00 -1.47 0.00 0.00 33.84 33.29 2x96 n VAL 274 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2x96 s SER 275 N -0.53 6.83 0.26 -1.34 1.04 -0.10 -4.93 113.70 114.94 2x96 s SER 275 Ca 0.00 2.49 -0.02 0.00 0.48 0.00 0.00 55.95 58.90 2x96 s SER 275 Cb 0.00 -2.62 0.56 0.00 0.10 0.00 0.00 66.02 64.07 2x96 s SER 275 CO 0.00 -0.56 1.68 -0.65 0.98 0.00 0.00 173.24 174.69 2x96 h PRO 276 N 5.08 0.29 -3.01 4.02 0.11 -1.91 -3.31 132.00 133.26 2x96 h PRO 276 Ca -0.45 -0.02 -0.62 0.00 0.11 0.00 0.00 66.00 65.02 2x96 h PRO 276 Cb 1.22 -0.07 -0.40 0.00 0.11 0.00 0.00 31.00 31.86 2x96 h PRO 276 CO 0.76 0.19 -0.71 -0.06 -0.21 0.00 0.00 178.00 177.97 2x96 s PHE 277 N -5.99 2.40 0.50 0.65 0.08 -1.26 -4.98 117.98 109.38 2x96 s PHE 277 Ca -0.12 -2.72 0.35 0.00 0.12 0.00 0.00 56.93 54.55 2x96 s PHE 277 Cb 0.23 -2.11 1.86 0.00 -0.57 0.00 0.00 43.02 42.43 2x96 s PHE 277 CO 0.76 -0.74 2.21 -1.35 -0.10 0.00 0.00 175.22 176.01 2x96 h PRO 278 N 6.33 0.00 -0.01 0.24 0.11 -1.97 -1.52 132.00 135.19 2x96 h PRO 278 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 2x96 h PRO 278 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 2x96 h PRO 278 CO 0.55 0.04 -0.12 0.39 -0.21 0.00 0.00 178.00 178.65 2x96 n GLU 279 N -3.44 0.94 -4.01 1.05 1.02 -1.26 -4.87 120.64 110.07 2x96 n GLU 279 Ca -0.02 -0.42 -0.22 0.00 -0.02 0.00 0.00 57.16 56.47 2x96 n GLU 279 Cb 0.15 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 30.03 2x96 n GLU 279 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2x96 s LYS 280 N -2.36 2.62 0.29 3.49 -0.14 -0.57 -5.08 119.74 117.98 2x96 s LYS 280 Ca 0.31 -1.33 -0.30 0.00 -1.36 0.00 0.00 55.97 53.29 2x96 s LYS 280 Cb 0.20 -2.37 -0.10 0.00 -1.68 0.00 0.00 37.83 33.87 2x96 s LYS 280 CO 0.45 0.20 1.46 -1.25 -0.76 0.00 0.00 175.35 175.45 2x96 s PRO 281 N -3.88 4.23 -0.16 -1.68 0.04 -1.26 -4.96 135.00 127.33 2x96 s PRO 281 Ca 0.37 2.39 0.01 0.00 0.04 0.00 0.00 61.00 63.81 2x96 s PRO 281 Cb -0.05 -3.07 0.01 0.00 0.04 0.00 0.00 34.50 31.43 2x96 s PRO 281 CO 0.24 -0.45 -0.20 -1.17 0.04 0.00 0.00 177.00 175.46 2x96 s LEU 282 N -0.84 2.17 -0.18 -3.56 2.96 -1.26 -4.81 118.68 113.16 2x96 s LEU 282 Ca 0.58 -0.61 -0.29 0.00 -0.22 0.00 0.00 54.13 53.59 2x96 s LEU 282 Cb -0.43 -1.48 -0.03 0.00 0.50 0.00 0.00 46.19 44.75 2x96 s LEU 282 CO 0.48 0.04 1.61 -0.69 -1.32 0.00 0.00 176.35 176.48 2x96 s VAL 283 N 1.04 3.70 -0.36 1.68 1.01 -1.26 -4.93 120.40 121.28 2x96 s VAL 283 Ca -0.01 0.80 0.03 0.00 0.00 0.00 0.00 61.98 62.81 2x96 s VAL 283 Cb -0.14 -3.66 0.16 0.00 0.00 0.00 0.00 36.38 32.73 2x96 s VAL 283 CO -0.07 -0.23 0.41 -0.62 0.00 0.00 0.00 175.10 174.59 2x96 s ASP 284 N 3.96 0.71 0.00 3.32 3.68 -1.26 -5.04 116.67 122.03 2x96 s ASP 284 Ca 0.71 -1.24 0.23 0.00 2.13 0.00 0.00 52.55 54.38 2x96 s ASP 284 Cb -0.27 0.83 0.70 0.00 -1.45 0.00 0.00 42.92 42.74 2x96 s ASP 284 CO 0.28 -0.27 1.53 1.33 0.13 0.00 0.00 175.17 178.18 2x96 n VAL 285 N 4.51 0.21 -0.18 1.11 0.24 -1.26 -4.35 118.33 118.60 2x96 n VAL 285 Ca 0.09 -0.41 -0.02 0.00 -2.04 0.00 0.00 64.34 61.96 2x96 n VAL 285 Cb 0.47 0.58 0.08 0.00 -1.47 0.00 0.00 33.84 33.51 2x96 n VAL 285 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2x96 h SER 286 N 2.81 0.19 -0.69 -1.34 0.02 -1.91 -0.76 113.55 111.88 2x96 h SER 286 Ca 0.00 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 2x96 h SER 286 Cb 0.61 0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.18 2x96 h SER 286 CO 0.00 0.13 0.38 0.00 -1.14 0.00 0.00 176.83 176.19 2x96 h ALA 287 N 1.38 0.88 -0.40 3.77 0.00 -1.91 -2.05 119.26 120.93 2x96 h ALA 287 Ca 0.27 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 2x96 h ALA 287 Cb 0.32 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2x96 h ALA 287 CO -0.28 0.39 -0.13 0.93 0.00 0.00 0.00 179.25 180.16 2x96 h GLU 288 N 0.94 0.73 -0.22 0.00 4.39 -1.71 -0.17 114.58 118.54 2x96 h GLU 288 Ca 0.24 -0.25 0.01 0.00 0.34 0.00 0.00 59.36 59.71 2x96 h GLU 288 Cb 0.04 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 2x96 h GLU 288 CO -0.04 0.83 0.12 0.52 -1.16 0.00 0.00 179.01 179.28 2x96 h MET 289 N 0.66 0.24 -0.73 2.33 2.86 -0.92 -0.21 114.93 119.16 2x96 h MET 289 Ca 0.11 -0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.69 2x96 h MET 289 Cb 0.60 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.17 2x96 h MET 289 CO 0.04 0.16 0.26 0.93 1.06 0.00 0.00 176.91 179.36 2x96 h GLU 290 N 0.24 1.11 -0.81 1.72 5.08 -1.18 -1.16 114.58 119.58 2x96 h GLU 290 Ca 0.09 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.20 2x96 h GLU 290 Cb 0.01 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.05 2x96 h GLU 290 CO -0.05 0.93 0.39 -0.22 -1.00 0.00 0.00 179.01 179.06 2x96 h LYS 291 N 1.06 1.16 -0.02 2.33 3.64 -0.74 -2.32 116.57 121.68 2x96 h LYS 291 Ca 0.24 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2x96 h LYS 291 Cb 0.26 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 2x96 h LYS 291 CO -0.01 0.89 0.00 1.04 -2.27 0.00 0.00 179.45 179.09 2x96 n GLN 292 N -4.31 1.20 -1.96 1.90 6.02 -0.12 -4.91 117.38 115.19 2x96 n GLN 292 Ca 0.08 -0.29 -0.05 0.00 -0.01 0.00 0.00 57.00 56.73 2x96 n GLN 292 Cb 0.14 -1.44 -0.00 0.00 1.02 0.00 0.00 30.24 29.95 2x96 n GLN 292 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2x96 n GLY 293 N 1.00 0.25 3.62 1.08 0.00 -0.87 -5.01 105.19 105.26 2x96 n GLY 293 Ca 0.20 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 2x96 n GLY 293 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2x96 n TYR 294 N -3.84 1.16 -4.32 1.61 0.53 -0.47 -5.03 117.16 106.79 2x96 n TYR 294 Ca -0.06 0.53 -0.17 0.00 -1.02 0.00 0.00 57.90 57.18 2x96 n TYR 294 Cb 0.49 -2.22 -0.10 0.00 -1.03 0.00 0.00 39.34 36.48 2x96 n TYR 294 CO 0.00 0.00 0.00 0.95 -1.02 0.00 0.00 176.86 176.79 2x96 s THR 295 N -1.32 1.29 0.24 -0.72 -4.23 -1.26 -4.87 115.64 104.78 2x96 s THR 295 Ca 0.65 -2.09 -0.05 0.00 -1.18 0.00 0.00 61.69 59.03 2x96 s THR 295 Cb -0.53 -2.15 0.21 0.00 1.34 0.00 0.00 72.50 71.38 2x96 s THR 295 CO 0.55 -0.51 1.73 -0.65 -0.54 0.00 0.00 174.62 175.21 2x96 h PRO 296 N 2.56 0.42 -0.41 3.99 0.11 -1.90 -1.28 132.00 135.49 2x96 h PRO 296 Ca -0.38 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 65.75 2x96 h PRO 296 Cb 1.21 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.18 2x96 h PRO 296 CO 0.64 0.28 0.15 1.25 -0.21 0.00 0.00 178.00 180.11 2x96 h LEU 297 N 0.43 0.17 -0.76 2.35 5.85 -1.97 -1.42 115.31 119.96 2x96 h LEU 297 Ca 0.41 0.04 0.03 0.00 0.84 0.00 0.00 57.88 59.20 2x96 h LEU 297 Cb 0.61 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.62 2x96 h LEU 297 CO -0.40 0.13 0.49 0.50 -0.34 0.00 0.00 178.44 178.81 2x96 h LYS 298 N 0.32 0.93 -0.31 1.25 1.63 -1.81 -0.71 116.57 117.86 2x96 h LYS 298 Ca 0.19 -0.06 -0.00 0.00 -0.85 0.00 0.00 60.65 59.93 2x96 h LYS 298 Cb 0.17 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 31.57 2x96 h LYS 298 CO -0.19 0.61 0.18 0.52 -3.45 0.00 0.00 179.45 177.13 2x96 h MET 299 N 0.95 0.42 -0.70 1.90 2.86 -0.71 -0.28 114.93 119.38 2x96 h MET 299 Ca 0.30 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.83 2x96 h MET 299 Cb -0.01 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.54 2x96 h MET 299 CO -0.10 0.33 0.15 0.74 1.06 0.00 0.00 176.91 179.09 2x96 h PHE 300 N 0.39 1.19 -0.43 -0.22 0.04 -1.05 -1.06 116.94 115.79 2x96 h PHE 300 Ca 0.11 -0.15 -0.04 0.00 2.80 0.00 0.00 57.97 60.69 2x96 h PHE 300 Cb 0.02 -0.33 -0.02 0.00 2.20 0.00 0.00 35.95 37.82 2x96 h PHE 300 CO -0.04 0.97 0.11 1.96 -0.60 0.00 0.00 178.31 180.71 2x96 h GLN 301 N 1.07 0.64 -0.27 1.51 4.20 -0.89 -0.39 115.11 120.98 2x96 h GLN 301 Ca 0.22 -0.11 -0.16 0.00 0.06 0.00 0.00 58.65 58.65 2x96 h GLN 301 Cb 0.40 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 2x96 h GLN 301 CO 0.01 0.58 -0.48 0.52 -0.67 0.00 0.00 178.83 178.79 2x96 h MET 302 N 0.63 0.72 -0.20 1.46 2.86 -0.67 -0.95 114.93 118.78 2x96 h MET 302 Ca 0.14 -0.42 -0.00 0.00 -2.06 0.00 0.00 59.70 57.36 2x96 h MET 302 Cb 0.23 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 2x96 h MET 302 CO -0.00 1.04 0.11 0.78 1.06 0.00 0.00 176.91 179.90 2x96 h GLY 303 N 0.91 0.29 0.45 8.32 0.00 -0.76 -1.47 103.07 110.79 2x96 h GLY 303 Ca 0.03 -0.12 0.07 0.00 0.00 0.00 0.00 47.33 47.31 2x96 h GLY 303 CO 0.10 0.12 0.11 -1.80 0.00 0.00 0.00 176.54 175.07 2x96 h ASP 304 N 0.23 0.05 -0.77 0.19 3.58 -0.99 -1.55 116.42 117.15 2x96 h ASP 304 Ca 0.07 0.07 0.11 0.00 0.42 0.00 0.00 57.03 57.70 2x96 h ASP 304 Cb 0.04 0.09 -0.08 0.00 1.72 0.00 0.00 39.33 41.10 2x96 h ASP 304 CO -0.01 0.06 0.40 -0.78 -2.88 0.00 0.00 179.24 176.02 2x96 h ASP 305 N 0.26 0.52 0.01 2.28 3.58 -0.94 -1.07 116.42 121.06 2x96 h ASP 305 Ca 0.23 0.07 -0.00 0.00 0.42 0.00 0.00 57.03 57.75 2x96 h ASP 305 Cb 0.28 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.31 2x96 h ASP 305 CO -0.28 0.28 -0.00 0.15 -2.88 0.00 0.00 179.24 176.50 2x96 h PHE 306 N 0.65 -0.01 -0.06 0.28 3.57 -0.27 -0.02 116.94 121.08 2x96 h PHE 306 Ca 0.39 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.89 2x96 h PHE 306 Cb 0.44 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.18 2x96 h PHE 306 CO -0.10 0.04 0.04 0.74 -2.23 0.00 0.00 178.31 176.80 2x96 h PHE 307 N -0.06 0.07 -0.11 0.41 0.04 -1.12 -2.87 116.94 113.30 2x96 h PHE 307 Ca -0.00 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.72 2x96 h PHE 307 Cb 0.05 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.17 2x96 h PHE 307 CO -0.06 0.08 -0.14 1.79 -0.60 0.00 0.00 178.31 179.37 2x96 h THR 308 N 0.05 1.16 0.00 -1.55 1.35 -1.13 -1.43 112.91 111.37 2x96 h THR 308 Ca 0.02 -0.73 -0.02 0.00 -0.55 0.00 0.00 66.41 65.13 2x96 h THR 308 Cb 0.02 1.24 -0.00 0.00 -1.73 0.00 0.00 68.15 67.68 2x96 h THR 308 CO -0.00 0.22 -0.09 0.77 -0.25 0.00 0.00 175.52 176.17 2x96 h SER 309 N 0.16 0.00 -0.42 5.36 4.64 -0.78 -0.51 113.55 122.01 2x96 h SER 309 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2x96 h SER 309 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 2x96 h SER 309 CO 0.02 0.09 0.00 0.23 -0.87 0.00 0.00 176.83 176.30 2x96 n MET 310 N -3.57 2.05 -1.75 4.77 2.00 -0.61 -3.62 117.12 116.39 2x96 n MET 310 Ca -0.02 -1.62 -0.10 0.00 0.00 0.00 0.00 57.70 55.97 2x96 n MET 310 Cb 0.21 -1.37 -0.02 0.00 0.00 0.00 0.00 33.22 32.04 2x96 n MET 310 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 2x96 n ASN 311 N 0.82 -3.71 -4.24 7.83 5.15 -0.20 -3.85 115.26 117.06 2x96 n ASN 311 Ca 0.16 0.11 -0.18 0.00 -0.60 0.00 0.00 54.58 54.07 2x96 n ASN 311 Cb 0.39 -2.54 0.08 0.00 -0.53 0.00 0.00 39.78 37.19 2x96 n ASN 311 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2x96 n LEU 312 N -1.25 0.00 -4.72 1.20 4.77 -0.80 -4.95 117.00 111.25 2x96 n LEU 312 Ca -0.11 -1.88 -0.41 0.00 -0.03 0.00 0.00 56.01 53.58 2x96 n LEU 312 Cb 0.46 -0.46 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 2x96 n LEU 312 CO 0.14 -0.81 0.61 -0.89 -1.33 0.00 0.00 177.39 175.11 2x96 s THR 313 N -2.31 4.84 0.40 -5.08 2.01 -1.26 -4.19 115.64 110.05 2x96 s THR 313 Ca 0.53 1.92 -0.26 0.00 0.31 0.00 0.00 61.69 64.20 2x96 s THR 313 Cb -0.03 -4.26 -0.09 0.00 0.01 0.00 0.00 72.50 68.13 2x96 s THR 313 CO 0.35 0.21 1.22 -0.75 -0.69 0.00 0.00 174.62 174.95 2x96 s LYS 314 N 0.77 4.05 0.22 4.92 2.20 -1.26 -4.69 119.74 125.95 2x96 s LYS 314 Ca 0.48 1.96 -0.31 0.00 -0.36 0.00 0.00 55.97 57.73 2x96 s LYS 314 Cb -0.21 -2.73 -0.11 0.00 -1.51 0.00 0.00 37.83 33.28 2x96 s LYS 314 CO 0.26 -0.36 1.59 -0.51 -0.36 0.00 0.00 175.35 175.97 2x96 s LEU 315 N -2.42 4.37 0.80 5.43 1.43 -1.26 -4.99 118.68 122.03 2x96 s LEU 315 Ca 0.56 2.76 -0.12 0.00 -1.03 0.00 0.00 54.13 56.31 2x96 s LEU 315 Cb -0.34 -3.61 0.07 0.00 0.03 0.00 0.00 46.19 42.35 2x96 s LEU 315 CO 0.43 -0.86 1.15 -2.16 0.23 0.00 0.00 176.35 175.13 2x96 s PRO 316 N 0.55 2.04 0.32 1.29 0.04 -1.26 -4.96 135.00 133.01 2x96 s PRO 316 Ca 0.68 0.27 0.02 0.00 0.04 0.00 0.00 61.00 62.00 2x96 s PRO 316 Cb -0.46 -1.95 0.53 0.00 0.04 0.00 0.00 34.50 32.66 2x96 s PRO 316 CO 0.37 -1.57 1.88 0.37 0.04 0.00 0.00 177.00 178.09 2x96 h GLN 317 N -1.04 0.70 -1.00 4.56 5.75 -1.94 -2.06 115.11 120.08 2x96 h GLN 317 Ca -0.47 -0.13 0.15 0.00 -0.15 0.00 0.00 58.65 58.06 2x96 h GLN 317 Cb 1.31 -0.11 -0.09 0.00 1.07 0.00 0.00 27.48 29.65 2x96 h GLN 317 CO 0.64 0.63 0.61 -0.44 -2.65 0.00 0.00 178.83 177.63 2x96 h ASP 318 N 0.68 0.85 0.23 -0.69 5.19 -1.91 -0.38 116.42 120.39 2x96 h ASP 318 Ca 0.16 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.64 2x96 h ASP 318 Cb 0.24 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 39.64 2x96 h ASP 318 CO -0.00 0.39 -0.22 0.15 -3.12 0.00 0.00 179.24 176.44 2x96 h PHE 319 N 0.88 -0.58 -0.49 4.55 3.57 -1.41 -0.12 116.94 123.35 2x96 h PHE 319 Ca 0.53 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.95 2x96 h PHE 319 Cb 0.67 0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.61 2x96 h PHE 319 CO -0.01 -0.33 -0.04 -1.49 -2.23 0.00 0.00 178.31 174.21 2x96 h TRP 320 N -0.47 0.91 -0.12 0.41 4.06 -1.48 -0.85 115.95 118.40 2x96 h TRP 320 Ca -0.00 -0.15 -0.12 0.00 2.06 0.00 0.00 58.89 60.68 2x96 h TRP 320 Cb 0.44 -0.24 -0.01 0.00 -1.00 0.00 0.00 29.16 28.35 2x96 h TRP 320 CO -0.15 0.86 -0.44 -0.44 -3.56 0.00 0.00 178.44 174.71 2x96 h ASP 321 N 0.77 0.31 0.00 -3.49 3.32 -0.88 -3.37 116.42 113.08 2x96 h ASP 321 Ca 0.14 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 2x96 h ASP 321 Cb 0.53 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.99 2x96 h ASP 321 CO 0.03 0.71 -1.29 0.29 -1.72 0.00 0.00 179.24 177.26 2x96 n LYS 322 N -4.01 0.35 -1.59 3.56 5.02 -0.07 -5.03 118.16 116.38 2x96 n LYS 322 Ca -0.02 -0.05 -0.34 0.00 -2.02 0.00 0.00 58.31 55.88 2x96 n LYS 322 Cb 0.50 -1.15 0.07 0.00 -0.02 0.00 0.00 35.03 34.44 2x96 n LYS 322 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2x96 s SER 323 N -2.77 4.56 -0.29 4.39 0.01 -0.33 -4.92 113.70 114.35 2x96 s SER 323 Ca -0.02 2.27 -0.05 0.00 1.31 0.00 0.00 55.95 59.46 2x96 s SER 323 Cb 0.04 -2.58 0.02 0.00 0.21 0.00 0.00 66.02 63.71 2x96 s SER 323 CO 0.25 -2.01 0.04 -0.63 0.41 0.00 0.00 173.24 171.30 2x96 s ILE 324 N -2.02 3.61 -0.49 1.44 1.01 -0.09 -4.97 121.20 119.70 2x96 s ILE 324 Ca 0.73 -0.87 0.04 0.00 0.00 0.00 0.00 60.65 60.55 2x96 s ILE 324 Cb -0.27 -2.89 0.06 0.00 0.01 0.00 0.00 42.46 39.37 2x96 s ILE 324 CO 0.43 0.07 0.79 2.30 0.00 0.00 0.00 174.94 178.52 2x96 n ILE 325 N 4.80 0.33 -4.04 2.92 -5.35 -1.25 -0.51 119.36 116.26 2x96 n ILE 325 Ca -0.15 -0.67 -0.12 0.00 -0.27 0.00 0.00 62.75 61.54 2x96 n ILE 325 Cb 0.47 0.89 -0.12 0.00 -1.74 0.00 0.00 39.64 39.14 2x96 n ILE 325 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 2x96 s GLU 326 N -0.58 0.42 0.09 6.28 2.02 -1.12 -3.05 118.70 122.76 2x96 s GLU 326 Ca 0.06 -0.58 -0.31 0.00 0.02 0.00 0.00 54.97 54.17 2x96 s GLU 326 Cb 0.04 -0.18 -0.09 0.00 0.10 0.00 0.00 34.13 34.00 2x96 s GLU 326 CO 0.06 0.03 1.70 0.21 0.02 0.00 0.00 175.26 177.28 2x96 s LYS 327 N -1.22 4.18 0.41 1.61 2.20 -1.26 -4.80 119.74 120.85 2x96 s LYS 327 Ca -0.09 2.42 -0.25 0.00 -0.36 0.00 0.00 55.97 57.68 2x96 s LYS 327 Cb -0.08 -3.58 -0.10 0.00 -1.51 0.00 0.00 37.83 32.56 2x96 s LYS 327 CO -0.00 -0.76 1.15 -2.30 -0.36 0.00 0.00 175.35 173.07 2x96 n PRO 328 N 5.54 1.66 -0.13 4.03 -0.02 -1.26 -4.94 135.00 139.88 2x96 n PRO 328 Ca 0.16 0.59 0.11 0.00 -2.02 0.00 0.00 63.50 62.35 2x96 n PRO 328 Cb 0.40 -2.20 0.17 0.00 -0.02 0.00 0.00 33.50 31.85 2x96 n PRO 328 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2x96 n THR 329 N -0.26 0.37 -1.73 3.45 -2.24 -1.26 -4.91 114.28 107.69 2x96 n THR 329 Ca 0.08 -0.69 -0.27 0.00 -2.27 0.00 0.00 64.05 60.90 2x96 n THR 329 Cb 0.39 1.10 0.19 0.00 -2.10 0.00 0.00 70.33 69.91 2x96 n THR 329 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2x96 n ASP 330 N 1.36 -0.17 -0.14 3.42 5.68 -1.26 -4.97 116.55 120.47 2x96 n ASP 330 Ca 0.17 -1.39 0.06 0.00 -0.50 0.00 0.00 54.79 53.12 2x96 n ASP 330 Cb 0.57 -0.92 0.32 0.00 -1.14 0.00 0.00 41.12 39.95 2x96 n ASP 330 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2x96 n GLY 331 N -3.04 -0.67 3.78 6.12 0.00 -1.26 -4.97 105.19 105.15 2x96 n GLY 331 Ca 0.15 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2x96 n GLY 331 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2x96 s ARG 332 N -1.93 2.97 0.08 1.61 1.70 -1.26 -5.03 118.95 117.09 2x96 s ARG 332 Ca 0.19 1.41 -0.20 0.00 -0.47 0.00 0.00 55.73 56.66 2x96 s ARG 332 Cb 0.09 -1.97 -0.07 0.00 -0.57 0.00 0.00 34.95 32.43 2x96 s ARG 332 CO 0.15 -1.12 0.59 -0.51 -1.08 0.00 0.00 175.30 173.32 2x96 s ASP 333 N -2.46 7.09 0.21 -2.89 -0.00 -1.26 -5.02 116.67 112.35 2x96 s ASP 333 Ca 0.68 1.29 -0.17 0.00 -0.00 0.00 0.00 52.55 54.35 2x96 s ASP 333 Cb -0.21 -2.37 0.02 0.00 -0.00 0.00 0.00 42.92 40.36 2x96 s ASP 333 CO 0.38 0.27 0.54 -1.48 -0.00 0.00 0.00 175.17 174.87 2x96 s LEU 334 N -1.09 0.09 -0.37 1.23 2.34 -1.26 -0.80 118.68 118.81 2x96 s LEU 334 Ca 0.30 -0.58 -0.24 0.00 0.06 0.00 0.00 54.13 53.67 2x96 s LEU 334 Cb -0.20 2.14 0.01 0.00 -0.56 0.00 0.00 46.19 47.59 2x96 s LEU 334 CO 0.20 -1.10 0.85 -0.69 -1.06 0.00 0.00 176.35 174.55 2x96 s VAL 335 N -3.90 4.65 -1.55 1.48 1.01 -0.64 -4.82 120.40 116.63 2x96 s VAL 335 Ca 0.12 1.01 0.24 0.00 0.00 0.00 0.00 61.98 63.34 2x96 s VAL 335 Cb -0.01 -4.28 0.05 0.00 0.00 0.00 0.00 36.38 32.14 2x96 s VAL 335 CO 0.00 -0.50 1.29 0.00 0.00 0.00 0.00 175.10 175.89 2x96 s HIS 337 N -2.68 2.39 0.70 0.00 5.65 -1.26 -4.25 115.29 115.83 2x96 s HIS 337 Ca 0.17 0.33 -0.16 0.00 0.25 0.00 0.00 55.06 55.65 2x96 s HIS 337 Cb 0.18 -3.94 0.02 0.00 -1.18 0.00 0.00 32.58 27.66 2x96 s HIS 337 CO 0.63 -3.79 1.23 0.00 -0.65 0.00 0.00 174.74 172.16 2x96 s ALA 338 N 2.80 2.22 -0.07 1.58 0.00 -1.26 -4.95 121.76 122.08 2x96 s ALA 338 Ca 0.73 0.97 -0.24 0.00 0.00 0.00 0.00 51.96 53.43 2x96 s ALA 338 Cb -0.38 -3.49 0.05 0.00 0.00 0.00 0.00 23.12 19.30 2x96 s ALA 338 CO 0.32 -1.73 0.54 -1.54 0.00 0.00 0.00 175.76 173.34 2x96 s SER 339 N -1.83 -0.50 -0.00 0.00 1.04 -0.80 -5.03 113.70 106.58 2x96 s SER 339 Ca 0.77 0.61 0.03 0.00 0.48 0.00 0.00 55.95 57.83 2x96 s SER 339 Cb -0.31 0.60 -0.03 0.00 0.10 0.00 0.00 66.02 66.37 2x96 s SER 339 CO 0.43 -0.47 -0.07 0.00 0.98 0.00 0.00 173.24 174.11 2x96 s ALA 340 N -0.92 3.02 -0.06 5.32 0.00 -1.26 -1.64 121.76 126.22 2x96 s ALA 340 Ca -0.10 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 50.88 2x96 s ALA 340 Cb -0.02 -1.15 0.01 0.00 0.00 0.00 0.00 23.12 21.96 2x96 s ALA 340 CO 0.06 0.61 -0.12 -1.58 0.00 0.00 0.00 175.76 174.74 2x96 s TRP 341 N -0.98 1.39 -0.18 0.00 0.52 0.86 -5.01 118.94 115.54 2x96 s TRP 341 Ca 0.17 -0.50 -0.04 0.00 0.02 0.00 0.00 56.10 55.75 2x96 s TRP 341 Cb -0.11 -1.03 -0.02 0.00 -1.15 0.00 0.00 33.47 31.16 2x96 s TRP 341 CO 0.07 -0.26 -0.04 0.34 0.02 0.00 0.00 176.95 177.08 2x96 s ASP 342 N 0.66 4.60 0.00 2.95 3.68 -1.26 -1.76 116.67 125.54 2x96 s ASP 342 Ca -0.14 -0.23 0.23 0.00 2.13 0.00 0.00 52.55 54.53 2x96 s ASP 342 Cb -0.15 -1.76 0.37 0.00 -1.45 0.00 0.00 42.92 39.92 2x96 s ASP 342 CO 0.03 0.10 1.35 0.49 0.13 0.00 0.00 175.17 177.27 2x96 n PHE 343 N 4.02 0.40 -1.62 -5.34 3.72 -0.93 -4.98 117.46 112.74 2x96 n PHE 343 Ca -0.18 -0.21 -0.14 0.00 -0.05 0.00 0.00 57.45 56.87 2x96 n PHE 343 Cb 0.52 -0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.01 2x96 n PHE 343 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2x96 n TYR 344 N 1.42 -0.16 0.00 1.38 4.02 -1.26 -4.30 117.16 118.26 2x96 n TYR 344 Ca 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.07 2x96 n TYR 344 Cb 0.59 -2.66 0.00 0.00 -0.02 0.00 0.00 39.34 37.25 2x96 n TYR 344 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 2x96 n LEU 345 N -1.73 0.00 -4.15 7.72 4.77 -1.26 -4.70 117.00 117.65 2x96 n LEU 345 Ca -0.15 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.50 2x96 n LEU 345 Cb 0.51 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.44 2x96 n LEU 345 CO 0.21 0.00 -0.52 -0.89 -1.33 0.00 0.00 177.39 174.86 2x96 s THR 346 N 4.18 2.17 0.00 -5.08 2.01 -1.26 -4.79 115.64 112.86 2x96 s THR 346 Ca 0.00 -0.92 0.00 0.00 0.31 0.00 0.00 61.69 61.08 2x96 s THR 346 Cb 0.00 -1.90 0.00 0.00 0.01 0.00 0.00 72.50 70.61 2x96 s THR 346 CO 0.00 0.53 0.00 0.47 -0.69 0.00 0.00 174.62 174.93 2x96 n ASP 347 N 4.45 -2.83 -4.46 3.53 10.43 -1.26 -4.92 116.55 121.49 2x96 n ASP 347 Ca -0.20 0.00 -0.44 0.00 2.57 0.00 0.00 54.79 56.72 2x96 n ASP 347 Cb 0.51 -2.19 -0.02 0.00 1.84 0.00 0.00 41.12 41.25 2x96 n ASP 347 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 2x96 s ASP 348 N -2.14 6.67 0.06 -2.24 -1.08 -1.26 -4.48 116.67 112.19 2x96 s ASP 348 Ca 0.00 -2.12 0.05 0.00 -0.52 0.00 0.00 52.55 49.96 2x96 s ASP 348 Cb 0.00 -2.41 -0.03 0.00 -1.46 0.00 0.00 42.92 39.03 2x96 s ASP 348 CO 0.00 -1.05 -0.15 0.68 0.52 0.00 0.00 175.17 175.18 2x96 s VAL 349 N 2.66 1.16 0.00 1.11 -7.23 -1.26 -2.18 120.40 114.66 2x96 s VAL 349 Ca 0.34 -1.19 -0.12 0.00 -1.81 0.00 0.00 61.98 59.20 2x96 s VAL 349 Cb -0.04 -1.08 0.02 0.00 0.56 0.00 0.00 36.38 35.83 2x96 s VAL 349 CO -0.09 -0.11 0.25 -0.13 -0.31 0.00 0.00 175.10 174.72 2x96 s ARG 350 N -1.49 0.64 0.00 4.82 0.52 -0.72 -3.53 118.95 119.19 2x96 s ARG 350 Ca 0.00 -0.32 0.07 0.00 -0.52 0.00 0.00 55.73 54.96 2x96 s ARG 350 Cb -0.09 0.28 -0.02 0.00 0.52 0.00 0.00 34.95 35.64 2x96 s ARG 350 CO 0.02 -0.17 -0.21 0.42 0.02 0.00 0.00 175.30 175.38 2x96 s ILE 351 N -1.58 1.63 -0.29 1.52 1.01 -1.26 -0.10 121.20 122.14 2x96 s ILE 351 Ca -0.12 -0.97 0.02 0.00 0.00 0.00 0.00 60.65 59.58 2x96 s ILE 351 Cb -0.05 -1.37 0.07 0.00 0.01 0.00 0.00 42.46 41.11 2x96 s ILE 351 CO 0.02 0.38 -0.05 -0.75 0.00 0.00 0.00 174.94 174.54 2x96 s LYS 352 N -0.69 2.12 -0.03 2.79 2.20 -0.65 -0.91 119.74 124.57 2x96 s LYS 352 Ca 0.08 -1.45 0.01 0.00 -0.36 0.00 0.00 55.97 54.25 2x96 s LYS 352 Cb -0.08 -3.02 0.02 0.00 -1.51 0.00 0.00 37.83 33.24 2x96 s LYS 352 CO -0.00 -0.66 -0.03 -1.14 -0.36 0.00 0.00 175.35 173.16 2x96 s GLN 353 N 1.09 0.52 -1.36 4.03 0.74 0.34 -1.91 119.66 123.11 2x96 s GLN 353 Ca -0.04 -0.05 -0.12 0.00 0.05 0.00 0.00 55.36 55.20 2x96 s GLN 353 Cb -0.20 -0.58 0.11 0.00 1.10 0.00 0.00 33.01 33.44 2x96 s GLN 353 CO -0.05 -0.06 2.02 0.00 -0.55 0.00 0.00 175.29 176.66 2x96 s THR 355 N 1.66 2.90 0.20 0.00 2.01 -1.17 -4.70 115.64 116.53 2x96 s THR 355 Ca 0.43 0.76 0.11 0.00 0.31 0.00 0.00 61.69 63.30 2x96 s THR 355 Cb 0.11 -3.48 -0.04 0.00 0.01 0.00 0.00 72.50 69.10 2x96 s THR 355 CO -0.04 0.12 -0.23 -0.13 -0.69 0.00 0.00 174.62 173.66 2x96 s ARG 356 N -0.37 1.57 -1.16 4.92 0.52 -1.26 -4.72 118.95 118.44 2x96 s ARG 356 Ca 0.57 -1.52 -0.15 0.00 -0.52 0.00 0.00 55.73 54.11 2x96 s ARG 356 Cb -0.39 -1.87 0.15 0.00 0.52 0.00 0.00 34.95 33.36 2x96 s ARG 356 CO 0.42 0.40 1.42 0.08 0.02 0.00 0.00 175.30 177.63 2x96 s VAL 357 N -1.72 4.84 0.10 3.52 1.01 -1.26 -4.69 120.40 122.21 2x96 s VAL 357 Ca 0.22 -2.31 -0.01 0.00 0.00 0.00 0.00 61.98 59.87 2x96 s VAL 357 Cb -0.08 -4.93 -0.04 0.00 0.00 0.00 0.00 36.38 31.34 2x96 s VAL 357 CO 0.10 -1.66 0.03 0.42 0.00 0.00 0.00 175.10 173.99 2x96 s THR 358 N 2.18 0.15 0.13 3.92 -4.23 -1.26 -4.74 115.64 111.79 2x96 s THR 358 Ca 0.42 -1.88 -0.19 0.00 -1.18 0.00 0.00 61.69 58.86 2x96 s THR 358 Cb -0.02 -1.87 -0.05 0.00 1.34 0.00 0.00 72.50 71.90 2x96 s THR 358 CO -0.01 -0.64 1.75 -0.61 -0.54 0.00 0.00 174.62 174.56 2x96 h GLN 359 N 2.96 0.16 -0.83 3.99 4.15 -1.90 -1.72 115.11 121.92 2x96 h GLN 359 Ca -0.35 -0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.12 2x96 h GLN 359 Cb 1.18 -0.04 -0.06 0.00 0.21 0.00 0.00 27.48 28.78 2x96 h GLN 359 CO 0.61 0.10 0.51 0.22 -1.93 0.00 0.00 178.83 178.35 2x96 h ASP 360 N 0.16 0.81 0.40 -0.69 3.58 -1.97 -1.94 116.42 116.77 2x96 h ASP 360 Ca 0.09 0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.47 2x96 h ASP 360 Cb 0.06 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 40.94 2x96 h ASP 360 CO -0.09 0.53 -0.41 1.56 -2.88 0.00 0.00 179.24 177.95 2x96 h GLN 361 N 0.95 0.01 -0.74 0.28 1.08 -1.78 -1.59 115.11 113.31 2x96 h GLN 361 Ca 0.36 -0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.50 2x96 h GLN 361 Cb 0.14 -0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.54 2x96 h GLN 361 CO -0.16 0.41 0.25 1.25 -0.95 0.00 0.00 178.83 179.63 2x96 h LEU 362 N 0.01 1.06 -0.38 1.46 5.85 -0.54 -0.13 115.31 122.63 2x96 h LEU 362 Ca -0.00 -0.19 -0.06 0.00 0.84 0.00 0.00 57.88 58.47 2x96 h LEU 362 Cb 0.72 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 2x96 h LEU 362 CO 0.05 0.97 0.02 -0.26 -0.34 0.00 0.00 178.44 178.88 2x96 h PHE 363 N 1.10 0.71 -0.94 1.25 0.04 -1.14 -2.95 116.94 115.01 2x96 h PHE 363 Ca 0.24 -0.12 0.07 0.00 2.80 0.00 0.00 57.97 60.97 2x96 h PHE 363 Cb 0.27 -0.19 -0.07 0.00 2.20 0.00 0.00 35.95 38.17 2x96 h PHE 363 CO 0.02 0.74 0.59 1.15 -0.60 0.00 0.00 178.31 180.21 2x96 h THR 364 N 0.49 1.04 -0.56 -1.55 2.02 -0.94 -0.13 112.91 113.27 2x96 h THR 364 Ca 0.11 -0.36 0.02 0.00 0.77 0.00 0.00 66.41 66.95 2x96 h THR 364 Cb 0.44 -0.11 -0.04 0.00 -1.74 0.00 0.00 68.15 66.71 2x96 h THR 364 CO 0.02 0.19 0.34 0.58 0.37 0.00 0.00 175.52 177.02 2x96 h VAL 365 N 1.05 1.07 -0.22 3.16 2.07 -0.96 -0.55 116.25 121.87 2x96 h VAL 365 Ca 0.42 -0.23 -0.11 0.00 0.82 0.00 0.00 66.70 67.59 2x96 h VAL 365 Cb 0.22 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 2x96 h VAL 365 CO -0.19 0.12 -0.35 0.45 0.02 0.00 0.00 177.57 177.63 2x96 h HIS 366 N 0.68 0.56 0.02 1.57 -0.00 -1.19 -1.14 115.15 115.66 2x96 h HIS 366 Ca 0.23 -0.14 0.00 0.00 -0.00 0.00 0.00 60.37 60.45 2x96 h HIS 366 Cb 0.01 -0.13 -0.00 0.00 -0.00 0.00 0.00 27.41 27.29 2x96 h HIS 366 CO -0.06 0.77 -0.03 1.25 -0.00 0.00 0.00 177.93 179.86 2x96 h HIS 367 N 0.41 -0.07 -0.81 2.45 6.17 -0.60 -1.46 115.15 121.24 2x96 h HIS 367 Ca 0.05 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.13 2x96 h HIS 367 Cb 0.80 0.03 -0.04 0.00 2.52 0.00 0.00 27.41 30.72 2x96 h HIS 367 CO 0.03 -0.05 0.52 0.93 0.71 0.00 0.00 177.93 180.07 2x96 h GLU 368 N -0.06 1.08 0.00 5.26 4.39 -0.91 -2.21 114.58 122.13 2x96 h GLU 368 Ca 0.01 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 2x96 h GLU 368 Cb 0.06 -0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 28.48 2x96 h GLU 368 CO -0.02 0.73 -0.06 -0.07 -1.16 0.00 0.00 179.01 178.43 2x96 h LEU 369 N 1.10 0.00 -0.60 1.33 3.38 -1.08 -2.19 115.31 117.24 2x96 h LEU 369 Ca 0.29 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.23 2x96 h LEU 369 Cb -0.10 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 2x96 h LEU 369 CO -0.06 0.06 0.22 1.23 0.09 0.00 0.00 178.44 179.98 2x96 h GLY 370 N 2.43 0.98 0.95 0.83 0.00 -0.62 0.42 103.07 108.07 2x96 h GLY 370 Ca -0.00 -0.55 -0.00 0.00 0.00 0.00 0.00 47.33 46.77 2x96 h GLY 370 CO 0.01 0.52 0.08 0.45 0.00 0.00 0.00 176.54 177.60 2x96 h HIS 371 N 0.85 0.19 -0.61 5.60 3.86 -1.25 -2.43 115.15 121.35 2x96 h HIS 371 Ca 0.20 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.40 2x96 h HIS 371 Cb 0.24 -0.06 -0.03 0.00 1.06 0.00 0.00 27.41 28.61 2x96 h HIS 371 CO 0.01 0.18 0.38 0.82 0.86 0.00 0.00 177.93 180.18 2x96 h ILE 372 N 0.15 1.18 -0.74 2.45 1.08 -1.30 -1.60 117.51 118.72 2x96 h ILE 372 Ca 0.05 -0.37 0.02 0.00 -0.39 0.00 0.00 64.86 64.16 2x96 h ILE 372 Cb 0.05 0.32 -0.04 0.00 -3.07 0.00 0.00 36.82 34.08 2x96 h ILE 372 CO -0.01 0.18 0.48 -0.61 -0.69 0.00 0.00 178.15 177.50 2x96 h GLN 373 N 0.83 0.93 -0.45 2.37 5.75 -0.88 -1.71 115.11 121.95 2x96 h GLN 373 Ca 0.22 -0.06 0.02 0.00 -0.15 0.00 0.00 58.65 58.68 2x96 h GLN 373 Cb -0.04 -0.21 -0.03 0.00 1.07 0.00 0.00 27.48 28.27 2x96 h GLN 373 CO -0.04 0.61 0.27 -0.92 -2.65 0.00 0.00 178.83 176.10 2x96 h TYR 374 N 0.95 0.50 -0.49 3.99 -0.00 -1.02 0.57 116.97 121.47 2x96 h TYR 374 Ca 0.28 0.02 0.09 0.00 -0.00 0.00 0.00 58.73 59.11 2x96 h TYR 374 Cb -0.05 -0.16 -0.07 0.00 -0.00 0.00 0.00 36.73 36.45 2x96 h TYR 374 CO -0.03 0.29 0.09 0.74 -0.00 0.00 0.00 178.16 179.25 2x96 h PHE 375 N 0.54 0.14 -0.27 -3.82 0.04 -0.69 -2.12 116.94 110.75 2x96 h PHE 375 Ca 0.18 0.03 -0.14 0.00 2.80 0.00 0.00 57.97 60.84 2x96 h PHE 375 Cb 0.01 0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 2x96 h PHE 375 CO -0.07 -0.02 -0.41 -0.07 -0.60 0.00 0.00 178.31 177.14 2x96 h LEU 376 N 0.22 0.70 -1.04 1.54 3.38 -0.90 -2.36 115.31 116.85 2x96 h LEU 376 Ca 0.25 -0.32 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 2x96 h LEU 376 Cb 0.34 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2x96 h LEU 376 CO -0.33 1.02 -0.30 1.56 0.09 0.00 0.00 178.44 180.48 2x96 h GLN 377 N 0.53 0.32 -0.36 1.13 1.08 -0.47 -3.25 115.11 114.10 2x96 h GLN 377 Ca 0.04 -0.12 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 2x96 h GLN 377 Cb 0.94 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.35 2x96 h GLN 377 CO 0.08 0.59 0.00 2.48 -0.95 0.00 0.00 178.83 181.04 2x96 n TYR 378 N -4.11 0.48 0.26 2.96 0.18 -0.84 -4.16 117.16 111.93 2x96 n TYR 378 Ca -0.01 -0.48 0.11 0.00 1.88 0.00 0.00 57.90 59.40 2x96 n TYR 378 Cb 0.41 -0.02 0.50 0.00 -0.38 0.00 0.00 39.34 39.85 2x96 n TYR 378 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2x96 n GLN 379 N 0.60 0.15 0.03 -3.48 10.64 -0.89 -1.08 117.38 123.35 2x96 n GLN 379 Ca 0.12 0.53 0.13 0.00 -1.83 0.00 0.00 57.00 55.94 2x96 n GLN 379 Cb 0.43 -1.88 0.33 0.00 -0.86 0.00 0.00 30.24 28.26 2x96 n GLN 379 CO 0.00 0.00 0.00 -2.39 -1.83 0.00 0.00 177.06 172.84 2x96 n HIS 380 N -2.18 0.23 -1.96 2.61 1.44 -1.26 -4.90 115.22 109.20 2x96 n HIS 380 Ca 0.00 0.07 -0.33 0.00 -2.01 0.00 0.00 57.72 55.45 2x96 n HIS 380 Cb 0.12 -0.48 0.02 0.00 0.12 0.00 0.00 29.99 29.77 2x96 n HIS 380 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 2x96 s GLN 381 N -3.05 3.15 0.55 -1.40 -1.52 -0.24 -5.01 119.66 112.14 2x96 s GLN 381 Ca 0.10 1.29 -0.21 0.00 -1.95 0.00 0.00 55.36 54.60 2x96 s GLN 381 Cb 0.16 -2.00 -0.06 0.00 -0.22 0.00 0.00 33.01 30.89 2x96 s GLN 381 CO 0.66 -0.96 1.13 -0.35 -0.25 0.00 0.00 175.29 175.52 2x96 n PRO 382 N -2.12 1.28 -0.33 2.91 -0.04 -1.26 -4.75 135.00 130.70 2x96 n PRO 382 Ca 0.09 0.48 0.11 0.00 -0.04 0.00 0.00 63.50 64.14 2x96 n PRO 382 Cb 0.52 -2.32 0.24 0.00 -0.04 0.00 0.00 33.50 31.90 2x96 n PRO 382 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 2x96 h PHE 383 N 1.02 -0.14 0.00 0.54 3.57 -1.95 0.16 116.94 120.14 2x96 h PHE 383 Ca -0.49 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.08 2x96 h PHE 383 Cb 1.34 0.21 0.00 0.00 2.79 0.00 0.00 35.95 40.29 2x96 h PHE 383 CO 0.41 -0.39 0.00 -0.39 -2.23 0.00 0.00 178.31 175.71 2x96 h VAL 384 N 0.03 0.00 -0.02 1.41 -1.51 -1.90 -1.30 116.25 112.96 2x96 h VAL 384 Ca 0.54 -0.26 0.00 0.00 -1.23 0.00 0.00 66.70 65.75 2x96 h VAL 384 Cb 1.04 1.21 0.00 0.00 -2.13 0.00 0.00 31.29 31.41 2x96 h VAL 384 CO -0.89 0.00 -0.19 -1.22 -1.23 0.00 0.00 177.57 174.04 2x96 n TYR 385 N -2.97 0.00 -1.84 5.19 4.01 0.56 -4.66 117.16 117.46 2x96 n TYR 385 Ca -0.01 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.32 2x96 n TYR 385 Cb 0.19 -0.02 -0.01 0.00 -0.31 0.00 0.00 39.34 39.19 2x96 n TYR 385 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2x96 n ARG 386 N 0.30 3.68 -3.84 -0.72 1.74 -0.49 -0.85 116.66 116.47 2x96 n ARG 386 Ca 0.13 -2.94 -0.08 0.00 -0.77 0.00 0.00 57.85 54.19 2x96 n ARG 386 Cb 0.46 -2.92 -0.00 0.00 -1.02 0.00 0.00 32.46 28.98 2x96 n ARG 386 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2x96 s THR 387 N 1.19 0.00 0.63 0.55 -1.32 -1.26 -5.01 115.64 110.43 2x96 s THR 387 Ca 0.53 -1.02 -0.16 0.00 -1.21 0.00 0.00 61.69 59.82 2x96 s THR 387 Cb 0.15 -2.45 -0.01 0.00 -1.51 0.00 0.00 72.50 68.68 2x96 s THR 387 CO -0.06 0.00 1.13 -0.83 -2.21 0.00 0.00 174.62 172.65 2x96 s GLY 388 N -3.00 2.33 0.23 6.08 0.00 -1.26 -2.16 107.32 109.53 2x96 s GLY 388 Ca 0.14 0.68 -0.06 0.00 0.00 0.00 0.00 44.72 45.47 2x96 s GLY 388 CO 0.09 1.04 1.72 0.00 0.00 0.00 0.00 173.10 175.96 2x96 h ALA 389 N 0.35 0.94 -2.56 3.20 0.00 -1.91 -3.39 119.26 115.88 2x96 h ALA 389 Ca -0.48 0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.39 2x96 h ALA 389 Cb 1.26 0.11 -0.14 0.00 0.00 0.00 0.00 17.79 19.02 2x96 h ALA 389 CO 0.54 -0.23 -0.48 0.54 0.00 0.00 0.00 179.25 179.62 2x96 s ASN 390 N -5.34 0.15 0.55 0.00 2.20 -1.26 -4.21 114.94 107.04 2x96 s ASN 390 Ca -0.13 -1.09 0.25 0.00 -0.94 0.00 0.00 52.86 50.95 2x96 s ASN 390 Cb 0.19 0.38 1.45 0.00 -2.00 0.00 0.00 41.25 41.28 2x96 s ASN 390 CO 0.76 -0.84 2.04 -0.65 -2.94 0.00 0.00 177.10 175.47 2x96 h PRO 391 N 2.66 0.00 -0.28 3.55 0.11 -1.82 -1.07 132.00 135.16 2x96 h PRO 391 Ca -0.33 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.71 2x96 h PRO 391 Cb 1.22 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 2x96 h PRO 391 CO 0.52 0.00 -0.14 0.78 -0.21 0.00 0.00 178.00 178.96 2x96 h GLY 392 N 0.00 0.50 1.00 -0.55 0.00 -1.91 -3.04 103.07 99.07 2x96 h GLY 392 Ca 0.16 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 2x96 h GLY 392 CO -0.00 0.32 0.35 0.74 0.00 0.00 0.00 176.54 177.95 2x96 h PHE 393 N 0.43 0.89 -0.76 5.60 0.05 -1.51 -1.99 116.94 119.66 2x96 h PHE 393 Ca 0.08 -0.03 -0.05 0.00 3.82 0.00 0.00 57.97 61.79 2x96 h PHE 393 Cb 0.50 -0.28 -0.03 0.00 2.00 0.00 0.00 35.95 38.13 2x96 h PHE 393 CO 0.02 0.65 0.27 1.25 -0.18 0.00 0.00 178.31 180.31 2x96 h HIS 394 N 0.88 1.20 0.00 -0.55 2.76 -1.55 -2.51 115.15 115.37 2x96 h HIS 394 Ca 0.23 -0.11 -0.06 0.00 -2.20 0.00 0.00 60.37 58.23 2x96 h HIS 394 Cb 0.05 -0.35 -0.01 0.00 1.55 0.00 0.00 27.41 28.65 2x96 h HIS 394 CO -0.01 0.92 -0.30 0.93 -1.30 0.00 0.00 177.93 178.18 2x96 h GLU 395 N 1.13 0.00 0.07 5.26 4.39 -1.46 -3.32 114.58 120.65 2x96 h GLU 395 Ca 0.25 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.71 2x96 h GLU 395 Cb 0.26 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.91 2x96 h GLU 395 CO -0.01 0.30 -1.10 0.00 -1.16 0.00 0.00 179.01 177.03 2x96 h ALA 396 N 1.70 0.24 -0.13 3.43 0.00 -0.91 -3.38 119.26 120.21 2x96 h ALA 396 Ca -0.00 -0.84 0.02 0.00 0.00 0.00 0.00 54.91 54.09 2x96 h ALA 396 Cb 0.88 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 2x96 h ALA 396 CO 0.04 1.00 -0.42 0.28 0.00 0.00 0.00 179.25 180.14 2x96 h VAL 397 N 0.08 0.00 -0.01 0.00 2.07 -1.62 -2.13 116.25 114.64 2x96 h VAL 397 Ca -0.09 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.37 2x96 h VAL 397 Cb 1.81 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 2x96 h VAL 397 CO 0.17 0.00 -0.29 1.23 0.02 0.00 0.00 177.57 178.70 2x96 h GLY 398 N -0.43 0.02 1.80 2.17 0.00 -1.76 -2.66 103.07 102.21 2x96 h GLY 398 Ca 0.03 -0.01 -0.07 0.00 0.00 0.00 0.00 47.33 47.28 2x96 h GLY 398 CO -0.35 0.01 -0.22 -0.55 0.00 0.00 0.00 176.54 175.42 2x96 h ASP 399 N 0.01 0.24 -0.84 0.19 5.19 -1.59 -1.16 116.42 118.47 2x96 h ASP 399 Ca -0.00 -0.07 -0.00 0.00 -0.62 0.00 0.00 57.03 56.34 2x96 h ASP 399 Cb 0.53 -0.06 -0.04 0.00 0.18 0.00 0.00 39.33 39.93 2x96 h ASP 399 CO 0.04 0.48 0.51 0.58 -3.12 0.00 0.00 179.24 177.73 2x96 h VAL 400 N 0.23 1.23 -0.22 -1.35 2.07 -1.03 0.21 116.25 117.38 2x96 h VAL 400 Ca 0.04 -0.50 -0.12 0.00 0.82 0.00 0.00 66.70 66.94 2x96 h VAL 400 Cb 0.53 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.35 2x96 h VAL 400 CO 0.04 0.24 -0.33 -0.07 0.02 0.00 0.00 177.57 177.47 2x96 h LEU 401 N 1.15 0.68 -1.37 2.57 3.38 -1.55 -3.16 115.31 117.01 2x96 h LEU 401 Ca 0.30 -0.51 0.10 0.00 0.09 0.00 0.00 57.88 57.85 2x96 h LEU 401 Cb -0.05 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.45 2x96 h LEU 401 CO -0.06 1.06 0.51 0.28 0.09 0.00 0.00 178.44 180.32 2x96 h SER 402 N 0.31 0.64 -0.88 -0.43 0.02 -0.89 0.20 113.55 112.53 2x96 h SER 402 Ca 0.02 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.00 2x96 h SER 402 Cb 0.91 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 63.29 2x96 h SER 402 CO 0.08 0.38 0.58 -0.07 -1.14 0.00 0.00 176.83 176.65 2x96 h LEU 403 N 0.71 0.99 0.06 5.07 3.38 -0.93 -0.44 115.31 124.15 2x96 h LEU 403 Ca 0.36 -0.02 -0.27 0.00 0.09 0.00 0.00 57.88 58.03 2x96 h LEU 403 Cb 0.45 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 40.97 2x96 h LEU 403 CO -0.13 0.71 -1.19 0.77 0.09 0.00 0.00 178.44 178.69 2x96 h SER 404 N 1.17 0.56 -0.73 -0.43 4.64 -1.22 -3.18 113.55 114.35 2x96 h SER 404 Ca 0.33 -0.55 0.08 0.00 -0.47 0.00 0.00 61.79 61.18 2x96 h SER 404 Cb -0.11 -0.18 -0.05 0.00 -0.31 0.00 0.00 62.40 61.75 2x96 h SER 404 CO -0.08 1.39 0.48 0.58 -0.87 0.00 0.00 176.83 178.33 2x96 h VAL 405 N 0.15 0.97 0.00 0.95 2.07 -0.44 -2.42 116.25 117.54 2x96 h VAL 405 Ca -0.14 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.14 2x96 h VAL 405 Cb 1.88 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 2x96 h VAL 405 CO 0.21 0.13 0.00 0.77 0.02 0.00 0.00 177.57 178.69 2x96 h SER 406 N 0.69 0.00 -3.95 0.57 4.64 -1.06 -3.37 113.55 111.07 2x96 h SER 406 Ca 0.33 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 61.13 2x96 h SER 406 Cb 0.37 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.53 2x96 h SER 406 CO -0.11 0.00 0.58 0.42 -0.87 0.00 0.00 176.83 176.84 2x96 s THR 407 N -3.19 2.77 0.31 2.95 -4.23 -0.91 -4.89 115.64 108.44 2x96 s THR 407 Ca 0.08 0.67 0.07 0.00 -1.18 0.00 0.00 61.69 61.33 2x96 s THR 407 Cb 0.11 -3.39 0.30 0.00 1.34 0.00 0.00 72.50 70.86 2x96 s THR 407 CO 0.54 0.08 1.76 -0.65 -0.54 0.00 0.00 174.62 175.81 2x96 h PRO 408 N 2.63 0.67 -0.22 3.99 0.11 -1.88 -1.51 132.00 135.79 2x96 h PRO 408 Ca -0.49 -0.04 0.05 0.00 0.11 0.00 0.00 66.00 65.63 2x96 h PRO 408 Cb 1.24 -0.15 -0.07 0.00 0.11 0.00 0.00 31.00 32.13 2x96 h PRO 408 CO 0.62 0.44 -0.42 -0.22 -0.21 0.00 0.00 178.00 178.22 2x96 h LYS 409 N 0.69 -0.42 -0.45 1.05 3.64 -1.91 -0.85 116.57 118.32 2x96 h LYS 409 Ca 0.60 0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.88 2x96 h LYS 409 Cb 1.00 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 2x96 h LYS 409 CO -0.42 -0.28 -0.20 1.25 -2.27 0.00 0.00 179.45 177.53 2x96 h HIS 410 N -0.44 1.06 0.00 1.91 2.76 -1.67 -2.97 115.15 115.80 2x96 h HIS 410 Ca 0.09 -0.26 -0.07 0.00 -2.20 0.00 0.00 60.37 57.94 2x96 h HIS 410 Cb 0.61 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 29.31 2x96 h HIS 410 CO -0.53 1.06 -0.33 -0.07 -1.30 0.00 0.00 177.93 176.76 2x96 h LEU 411 N 0.76 0.00 -0.35 0.26 3.38 -0.99 -1.89 115.31 116.48 2x96 h LEU 411 Ca 0.10 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.95 2x96 h LEU 411 Cb 0.77 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 2x96 h LEU 411 CO 0.06 0.33 -0.25 -0.33 0.09 0.00 0.00 178.44 178.35 2x96 h GLU 412 N 0.00 0.79 -0.98 1.13 5.08 -1.15 -0.85 114.58 118.60 2x96 h GLU 412 Ca -0.00 -0.38 0.11 0.00 -1.00 0.00 0.00 59.36 58.09 2x96 h GLU 412 Cb 0.63 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.80 2x96 h GLU 412 CO 0.04 1.01 0.62 0.87 -1.00 0.00 0.00 179.01 180.55 2x96 h LYS 413 N 0.58 0.95 -0.60 2.33 1.57 -1.19 -1.93 116.57 118.27 2x96 h LYS 413 Ca 0.07 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2x96 h LYS 413 Cb 0.81 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.90 2x96 h LYS 413 CO 0.07 0.63 0.00 0.44 -0.57 0.00 0.00 179.45 180.02 2x96 n ILE 414 N -4.58 1.03 -1.44 1.86 -5.35 -0.98 -4.94 119.36 104.96 2x96 n ILE 414 Ca 0.18 -0.84 -0.12 0.00 -0.27 0.00 0.00 62.75 61.69 2x96 n ILE 414 Cb 0.34 0.26 -0.05 0.00 -1.74 0.00 0.00 39.64 38.45 2x96 n ILE 414 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2x96 n GLY 415 N 1.26 1.19 0.08 3.28 0.00 -0.73 -4.89 105.19 105.40 2x96 n GLY 415 Ca 0.20 -0.45 0.09 0.00 0.00 0.00 0.00 46.02 45.86 2x96 n GLY 415 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2x96 n LEU 416 N -1.43 0.58 -4.16 0.99 4.77 -0.37 -4.80 117.00 112.58 2x96 n LEU 416 Ca -0.13 0.23 -0.33 0.00 -0.03 0.00 0.00 56.01 55.75 2x96 n LEU 416 Cb 0.42 -0.01 -0.15 0.00 -2.33 0.00 0.00 43.42 41.36 2x96 n LEU 416 CO 0.19 -0.07 -0.47 -0.22 -1.33 0.00 0.00 177.39 175.49 2x96 s LEU 417 N -5.18 2.71 0.11 2.23 2.96 -0.93 -4.77 118.68 115.80 2x96 s LEU 417 Ca -0.03 -0.79 0.09 0.00 -0.22 0.00 0.00 54.13 53.17 2x96 s LEU 417 Cb 0.11 -1.57 -0.04 0.00 0.50 0.00 0.00 46.19 45.19 2x96 s LEU 417 CO 0.83 -0.07 -0.18 -0.54 -1.32 0.00 0.00 176.35 175.07 2x96 s LYS 418 N 1.29 1.81 -1.45 1.98 1.02 -1.26 -4.37 119.74 118.77 2x96 s LYS 418 Ca 0.02 -1.15 -0.05 0.00 0.02 0.00 0.00 55.97 54.80 2x96 s LYS 418 Cb -0.15 -2.12 0.04 0.00 -0.52 0.00 0.00 37.83 35.08 2x96 s LYS 418 CO -0.08 0.49 0.65 -0.25 -0.92 0.00 0.00 175.35 175.24 2x96 n ASP 419 N 0.91 -1.82 -4.69 2.83 10.43 -1.26 -4.94 116.55 118.00 2x96 n ASP 419 Ca -0.16 -0.92 -0.36 0.00 2.57 0.00 0.00 54.79 55.92 2x96 n ASP 419 Cb 0.53 -3.42 -0.08 0.00 1.84 0.00 0.00 41.12 39.98 2x96 n ASP 419 CO 0.00 0.00 0.00 -0.47 -1.07 0.00 0.00 177.20 175.66 2x96 s TYR 420 N -3.66 3.38 -0.31 1.24 5.04 -1.26 -5.06 117.35 116.71 2x96 s TYR 420 Ca 0.24 0.42 -0.05 0.00 -2.44 0.00 0.00 57.07 55.24 2x96 s TYR 420 Cb -0.12 -2.32 0.03 0.00 0.35 0.00 0.00 41.96 39.90 2x96 s TYR 420 CO 0.86 0.14 0.06 0.08 -1.34 0.00 0.00 175.55 175.36 2x96 s VAL 421 N 0.82 3.59 -1.34 3.14 1.01 -1.26 -5.03 120.40 121.34 2x96 s VAL 421 Ca 0.12 -1.08 -0.11 0.00 0.00 0.00 0.00 61.98 60.91 2x96 s VAL 421 Cb -0.13 -2.98 0.12 0.00 0.00 0.00 0.00 36.38 33.39 2x96 s VAL 421 CO 0.04 -0.08 1.97 -1.14 0.00 0.00 0.00 175.10 175.89 2x96 n ARG 422 N 4.77 3.36 -1.46 2.72 0.63 -1.26 -4.71 116.66 120.71 2x96 n ARG 422 Ca -0.13 -3.23 -0.16 0.00 -0.92 0.00 0.00 57.85 53.40 2x96 n ARG 422 Cb 0.45 -3.06 0.10 0.00 0.45 0.00 0.00 32.46 30.41 2x96 n ARG 422 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 2x96 n ASP 423 N 4.72 0.40 -0.31 6.15 3.85 -1.26 -4.87 116.55 125.24 2x96 n ASP 423 Ca 0.44 -1.48 -0.00 0.00 -0.71 0.00 0.00 54.79 53.04 2x96 n ASP 423 Cb 0.38 -0.53 0.18 0.00 -1.35 0.00 0.00 41.12 39.80 2x96 n ASP 423 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 2x96 h ASP 424 N -0.77 1.01 -0.16 -1.12 3.45 -1.99 -1.68 116.42 115.16 2x96 h ASP 424 Ca -0.24 -0.02 -0.19 0.00 0.43 0.00 0.00 57.03 57.01 2x96 h ASP 424 Cb 0.74 -0.25 0.01 0.00 -0.56 0.00 0.00 39.33 39.28 2x96 h ASP 424 CO 0.20 0.72 -0.63 -0.33 -1.57 0.00 0.00 179.24 177.63 2x96 h GLU 425 N 1.19 0.71 -0.48 3.56 5.08 -1.95 -2.30 114.58 120.38 2x96 h GLU 425 Ca 0.34 -0.55 -0.02 0.00 -1.00 0.00 0.00 59.36 58.13 2x96 h GLU 425 Cb -0.09 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 2x96 h GLU 425 CO -0.08 1.17 0.20 0.00 -1.00 0.00 0.00 179.01 179.29 2x96 h ALA 426 N 0.54 1.45 -0.37 3.43 0.00 -1.81 -1.83 119.26 120.67 2x96 h ALA 426 Ca -0.03 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 2x96 h ALA 426 Cb 1.26 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2x96 h ALA 426 CO 0.13 0.42 -0.02 -0.09 0.00 0.00 0.00 179.25 179.70 2x96 h ARG 427 N 0.68 0.67 -0.63 0.00 2.43 -1.15 -1.80 114.38 114.58 2x96 h ARG 427 Ca 0.17 -0.22 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 2x96 h ARG 427 Cb 0.12 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 2x96 h ARG 427 CO -0.02 0.78 0.35 0.82 -1.51 0.00 0.00 179.97 180.40 2x96 h ILE 428 N 0.48 1.20 -0.60 1.20 1.08 -1.24 -0.16 117.51 119.47 2x96 h ILE 428 Ca 0.10 -0.49 0.08 0.00 -0.39 0.00 0.00 64.86 64.17 2x96 h ILE 428 Cb 0.49 0.38 -0.07 0.00 -3.07 0.00 0.00 36.82 34.56 2x96 h ILE 428 CO 0.02 0.21 0.26 0.78 -0.69 0.00 0.00 178.15 178.73 2x96 h ASN 429 N 0.85 0.30 -0.19 1.72 2.35 -1.17 0.43 115.58 119.88 2x96 h ASN 429 Ca 0.22 0.06 -0.11 0.00 -0.55 0.00 0.00 56.30 55.93 2x96 h ASN 429 Cb 0.03 0.02 -0.00 0.00 0.05 0.00 0.00 38.32 38.42 2x96 h ASN 429 CO -0.04 0.19 -0.30 -0.61 -1.65 0.00 0.00 177.43 175.02 2x96 h GLN 430 N 0.47 0.54 -0.65 0.81 5.75 -0.96 -0.71 115.11 120.36 2x96 h GLN 430 Ca 0.30 -0.33 0.02 0.00 -0.15 0.00 0.00 58.65 58.49 2x96 h GLN 430 Cb 0.32 0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.86 2x96 h GLN 430 CO -0.26 0.93 0.41 -0.07 -2.65 0.00 0.00 178.83 177.18 2x96 h LEU 431 N 0.20 0.68 -0.53 -2.39 3.38 -0.92 -0.88 115.31 114.85 2x96 h LEU 431 Ca 0.02 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 2x96 h LEU 431 Cb 0.88 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 2x96 h LEU 431 CO 0.07 0.47 0.16 0.15 0.09 0.00 0.00 178.44 179.38 2x96 h PHE 432 N 0.81 0.86 -0.62 1.13 3.04 -0.82 -0.15 116.94 121.19 2x96 h PHE 432 Ca 0.26 -0.09 0.04 0.00 3.98 0.00 0.00 57.97 62.16 2x96 h PHE 432 Cb -0.00 -0.25 -0.04 0.00 2.56 0.00 0.00 35.95 38.21 2x96 h PHE 432 CO -0.04 0.74 0.37 1.25 -2.02 0.00 0.00 178.31 178.60 2x96 h LEU 433 N 0.73 0.58 -0.59 0.59 5.85 -0.81 -0.52 115.31 121.14 2x96 h LEU 433 Ca 0.17 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.84 2x96 h LEU 433 Cb 0.28 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 2x96 h LEU 433 CO -0.00 0.39 0.11 0.74 -0.34 0.00 0.00 178.44 179.33 2x96 h THR 434 N 0.71 1.26 -0.54 1.05 2.02 -0.89 -2.92 112.91 113.60 2x96 h THR 434 Ca 0.26 -0.97 -0.02 0.00 0.77 0.00 0.00 66.41 66.45 2x96 h THR 434 Cb 0.08 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 2x96 h THR 434 CO -0.13 0.36 0.25 0.00 0.37 0.00 0.00 175.52 176.37 2x96 h ALA 435 N 1.02 1.44 0.00 6.16 0.00 -0.41 0.30 119.26 127.76 2x96 h ALA 435 Ca 0.18 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2x96 h ALA 435 Cb 0.41 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2x96 h ALA 435 CO 0.01 0.45 -0.02 -0.07 0.00 0.00 0.00 179.25 179.62 2x96 h LEU 436 N 0.76 0.00 0.04 0.00 3.38 -0.91 -0.43 115.31 118.15 2x96 h LEU 436 Ca 0.19 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.78 2x96 h LEU 436 Cb 0.09 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 2x96 h LEU 436 CO -0.02 0.02 -2.22 0.47 0.09 0.00 0.00 178.44 176.78 2x96 n ASP 437 N -3.21 2.02 -0.11 -0.43 10.43 -0.53 -0.75 116.55 123.97 2x96 n ASP 437 Ca -0.02 0.09 -0.19 0.00 2.57 0.00 0.00 54.79 57.24 2x96 n ASP 437 Cb 0.16 -0.67 -0.12 0.00 1.84 0.00 0.00 41.12 42.34 2x96 n ASP 437 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 2x96 n LYS 438 N -3.55 0.67 -0.07 -1.24 4.76 0.94 -3.95 118.16 115.71 2x96 n LYS 438 Ca -0.41 0.18 -0.16 0.00 -2.87 0.00 0.00 58.31 55.05 2x96 n LYS 438 Cb 0.97 -1.55 -0.13 0.00 -1.84 0.00 0.00 35.03 32.48 2x96 n LYS 438 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 2x96 h ILE 439 N -0.04 1.58 -1.01 -0.18 1.08 -1.30 -3.35 117.51 114.30 2x96 h ILE 439 Ca -0.56 -2.33 0.25 0.00 -0.39 0.00 0.00 64.86 61.83 2x96 h ILE 439 Cb 1.91 3.13 -0.09 0.00 -3.07 0.00 0.00 36.82 38.70 2x96 h ILE 439 CO -0.08 0.56 0.65 0.58 -0.69 0.00 0.00 178.15 179.17 2x96 h VAL 440 N -0.94 0.57 0.00 1.67 2.07 -1.66 -1.76 116.25 116.21 2x96 h VAL 440 Ca -0.09 -0.15 -0.07 0.00 0.82 0.00 0.00 66.70 67.21 2x96 h VAL 440 Cb 1.12 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 2x96 h VAL 440 CO -0.03 0.08 -0.33 0.15 0.02 0.00 0.00 177.57 177.46 2x96 h PHE 441 N 0.45 0.00 0.36 1.57 3.57 -1.68 -3.35 116.94 117.86 2x96 h PHE 441 Ca 0.57 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 62.06 2x96 h PHE 441 Cb 1.36 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.10 2x96 h PHE 441 CO -0.00 0.33 -0.23 -0.07 -2.23 0.00 0.00 178.31 176.10 2x96 h LEU 442 N 0.00 -0.59 -1.08 0.59 3.38 -1.45 0.05 115.31 116.21 2x96 h LEU 442 Ca -0.00 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 2x96 h LEU 442 Cb 0.61 0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 2x96 h LEU 442 CO 0.04 -0.37 0.26 1.55 0.09 0.00 0.00 178.44 180.02 2x96 h PRO 443 N -0.58 0.92 0.07 1.13 0.13 -1.75 -2.08 132.00 129.84 2x96 h PRO 443 Ca -0.04 -0.14 0.02 0.00 -0.87 0.00 0.00 66.00 64.98 2x96 h PRO 443 Cb 0.48 -0.16 -0.04 0.00 0.13 0.00 0.00 31.00 31.41 2x96 h PRO 443 CO 0.03 0.74 -0.30 0.35 -0.23 0.00 0.00 178.00 178.59 2x96 h PHE 444 N 0.91 -0.82 -0.98 1.56 3.57 -1.57 -1.82 116.94 117.79 2x96 h PHE 444 Ca 0.22 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.75 2x96 h PHE 444 Cb 0.16 0.35 -0.05 0.00 2.79 0.00 0.00 35.95 39.20 2x96 h PHE 444 CO 0.01 -0.40 0.64 0.00 -2.23 0.00 0.00 178.31 176.33 2x96 h ALA 445 N 0.23 1.24 -0.58 2.41 0.00 -0.84 -2.29 119.26 119.42 2x96 h ALA 445 Ca 0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2x96 h ALA 445 Cb 0.54 -0.40 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2x96 h ALA 445 CO -0.21 0.64 0.34 0.35 0.00 0.00 0.00 179.25 180.37 2x96 h PHE 446 N 1.33 0.78 0.00 0.00 3.04 -1.16 -2.96 116.94 117.96 2x96 h PHE 446 Ca 0.36 -0.01 -0.07 0.00 3.98 0.00 0.00 57.97 62.23 2x96 h PHE 446 Cb -0.14 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 38.11 2x96 h PHE 446 CO -0.00 0.55 -0.32 1.79 -2.02 0.00 0.00 178.31 178.30 2x96 h THR 447 N 0.78 1.18 -0.64 4.41 1.35 -0.78 -0.42 112.91 118.79 2x96 h THR 447 Ca 0.21 -1.13 0.03 0.00 -0.55 0.00 0.00 66.41 64.97 2x96 h THR 447 Cb 0.01 1.62 -0.04 0.00 -1.73 0.00 0.00 68.15 68.00 2x96 h THR 447 CO -0.04 0.32 0.40 0.24 -0.25 0.00 0.00 175.52 176.19 2x96 h MET 448 N 0.00 0.76 0.01 4.72 2.86 -1.30 -0.61 114.93 121.36 2x96 h MET 448 Ca -0.00 -0.05 -0.29 0.00 -2.06 0.00 0.00 59.70 57.30 2x96 h MET 448 Cb 0.59 -0.17 -0.05 0.00 0.06 0.00 0.00 31.60 32.03 2x96 h MET 448 CO 0.04 0.50 -1.70 -0.44 1.06 0.00 0.00 176.91 176.37 2x96 h ASP 449 N 0.78 0.03 -0.99 1.22 3.45 -1.60 -3.05 116.42 116.27 2x96 h ASP 449 Ca 0.26 -0.07 0.08 0.00 0.43 0.00 0.00 57.03 57.72 2x96 h ASP 449 Cb 0.02 -0.01 -0.07 0.00 -0.56 0.00 0.00 39.33 38.71 2x96 h ASP 449 CO -0.11 1.06 0.63 0.11 -1.57 0.00 0.00 179.24 179.37 2x96 h LYS 450 N 0.01 1.08 0.35 3.56 1.57 -0.98 0.38 116.57 122.53 2x96 h LYS 450 Ca -0.29 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.41 2x96 h LYS 450 Cb 2.01 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 34.08 2x96 h LYS 450 CO 0.08 0.71 -0.17 -0.92 -0.57 0.00 0.00 179.45 178.59 2x96 h TYR 451 N 1.11 -0.44 -0.45 -1.35 3.20 -1.21 -2.29 116.97 115.55 2x96 h TYR 451 Ca 0.44 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 62.19 2x96 h TYR 451 Cb 0.24 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.64 2x96 h TYR 451 CO -0.01 -0.17 -0.16 0.00 -1.64 0.00 0.00 178.16 176.18 2x96 h ARG 452 N -0.64 0.87 -0.62 1.82 3.08 -1.37 -2.35 114.38 115.17 2x96 h ARG 452 Ca -0.05 -0.33 0.09 0.00 0.07 0.00 0.00 59.98 59.76 2x96 h ARG 452 Cb 0.46 -0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.39 2x96 h ARG 452 CO 0.08 0.97 0.26 -1.49 -1.07 0.00 0.00 179.97 178.72 2x96 h TRP 453 N 0.77 0.47 -0.32 3.04 6.55 -0.30 0.13 115.95 126.29 2x96 h TRP 453 Ca 0.11 0.03 -0.07 0.00 0.95 0.00 0.00 58.89 59.92 2x96 h TRP 453 Cb 0.69 -0.12 -0.02 0.00 -0.86 0.00 0.00 29.16 28.86 2x96 h TRP 453 CO 0.04 0.15 -0.09 0.66 -1.05 0.00 0.00 178.44 178.16 2x96 h SER 454 N 0.47 0.50 -0.17 -3.49 4.64 -0.91 0.15 113.55 114.74 2x96 h SER 454 Ca 0.30 -0.12 -0.09 0.00 -0.47 0.00 0.00 61.79 61.41 2x96 h SER 454 Cb 0.33 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.29 2x96 h SER 454 CO -0.27 0.64 -0.24 -0.07 -0.87 0.00 0.00 176.83 176.01 2x96 h LEU 455 N 0.49 0.50 -0.71 5.97 3.38 -0.99 0.03 115.31 123.98 2x96 h LEU 455 Ca 0.09 -0.52 0.04 0.00 0.09 0.00 0.00 57.88 57.58 2x96 h LEU 455 Cb 0.45 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 2x96 h LEU 455 CO 0.02 0.92 0.44 -0.26 0.09 0.00 0.00 178.44 179.66 2x96 h PHE 456 N 0.10 0.82 0.00 1.13 0.05 -0.34 -2.02 116.94 116.68 2x96 h PHE 456 Ca 0.02 0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.83 2x96 h PHE 456 Cb 0.81 -0.27 0.00 0.00 2.00 0.00 0.00 35.95 38.49 2x96 h PHE 456 CO 0.09 0.45 0.00 0.54 -0.18 0.00 0.00 178.31 179.21 2x96 n ARG 457 N -4.68 0.50 -2.10 1.51 1.74 0.48 -4.59 116.66 109.52 2x96 n ARG 457 Ca 0.08 0.02 -0.09 0.00 -0.77 0.00 0.00 57.85 57.09 2x96 n ARG 457 Cb 0.11 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.04 2x96 n ARG 457 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2x96 n GLY 458 N 0.96 0.08 0.03 -0.13 0.00 -0.76 -4.93 105.19 100.44 2x96 n GLY 458 Ca 0.15 -0.51 0.12 0.00 0.00 0.00 0.00 46.02 45.77 2x96 n GLY 458 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2x96 n GLU 459 N -1.95 0.12 -4.76 1.61 1.02 -0.02 -4.80 120.64 111.88 2x96 n GLU 459 Ca -0.11 0.04 -0.29 0.00 -0.02 0.00 0.00 57.16 56.78 2x96 n GLU 459 Cb 0.56 -1.58 -0.17 0.00 -0.02 0.00 0.00 31.44 30.23 2x96 n GLU 459 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2x96 s VAL 460 N -3.07 1.65 0.39 2.62 1.01 -1.23 -5.03 120.40 116.74 2x96 s VAL 460 Ca 0.09 -0.76 -0.26 0.00 0.00 0.00 0.00 61.98 61.06 2x96 s VAL 460 Cb 0.16 -1.47 -0.09 0.00 0.00 0.00 0.00 36.38 34.99 2x96 s VAL 460 CO 0.69 0.47 1.21 -1.81 0.00 0.00 0.00 175.10 175.66 2x96 s ASP 461 N 0.68 6.51 0.51 3.32 1.01 -1.26 -4.92 116.67 122.53 2x96 s ASP 461 Ca -0.13 2.45 0.28 0.00 0.71 0.00 0.00 52.55 55.87 2x96 s ASP 461 Cb -0.16 -2.62 1.40 0.00 1.01 0.00 0.00 42.92 42.55 2x96 s ASP 461 CO 0.03 -0.69 1.89 0.11 0.21 0.00 0.00 175.17 176.72 2x96 h LYS 462 N 2.75 0.08 0.00 8.23 1.57 -2.00 0.24 116.57 127.45 2x96 h LYS 462 Ca -0.49 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2x96 h LYS 462 Cb 1.24 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.53 2x96 h LYS 462 CO 0.63 0.05 0.00 0.00 -0.57 0.00 0.00 179.45 179.56 2x96 h ALA 463 N 1.58 1.00 -0.07 3.86 0.00 -2.00 -3.13 119.26 120.50 2x96 h ALA 463 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 2x96 h ALA 463 Cb 1.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.35 2x96 h ALA 463 CO -0.04 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.30 2x96 n ASN 464 N -2.36 2.45 -0.20 0.00 5.03 0.84 -4.83 115.26 116.20 2x96 n ASN 464 Ca 0.01 -2.50 -0.07 0.00 0.87 0.00 0.00 54.58 52.89 2x96 n ASN 464 Cb 0.19 -0.24 0.08 0.00 -1.02 0.00 0.00 39.78 38.78 2x96 n ASN 464 CO 0.00 0.00 0.00 -0.50 -1.83 0.00 0.00 177.26 174.93 2x96 h TRP 465 N 0.45 1.09 -0.06 3.10 4.06 -1.52 -1.84 115.95 121.23 2x96 h TRP 465 Ca 0.00 -0.15 -0.10 0.00 2.06 0.00 0.00 58.89 60.69 2x96 h TRP 465 Cb 0.81 -0.30 0.01 0.00 -1.00 0.00 0.00 29.16 28.68 2x96 h TRP 465 CO 0.08 0.93 -0.36 -0.97 -3.56 0.00 0.00 178.44 174.56 2x96 h ASN 466 N 0.95 0.43 1.37 -3.49 -1.24 -1.86 -3.12 115.58 108.61 2x96 h ASN 466 Ca 0.18 -0.67 -0.02 0.00 0.71 0.00 0.00 56.30 56.51 2x96 h ASN 466 Cb 0.46 -0.13 -0.00 0.00 0.73 0.00 0.00 38.32 39.38 2x96 h ASN 466 CO 0.02 1.03 -0.11 0.00 -1.29 0.00 0.00 177.43 177.07 2x96 h ALA 468 N 1.89 1.56 0.32 0.00 0.00 -1.37 0.13 119.26 121.79 2x96 h ALA 468 Ca -0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2x96 h ALA 468 Cb 0.82 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2x96 h ALA 468 CO 0.01 0.36 -0.15 0.35 0.00 0.00 0.00 179.25 179.82 2x96 h PHE 469 N 0.59 -0.39 0.00 0.00 3.57 -1.26 -2.96 116.94 116.48 2x96 h PHE 469 Ca 0.15 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.57 2x96 h PHE 469 Cb 0.07 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 2x96 h PHE 469 CO 0.00 -0.06 -0.32 -1.49 -2.23 0.00 0.00 178.31 174.21 2x96 h TRP 470 N -0.79 0.00 -0.65 0.41 4.06 -1.35 -2.16 115.95 115.47 2x96 h TRP 470 Ca -0.04 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.90 2x96 h TRP 470 Cb 0.51 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.64 2x96 h TRP 470 CO 0.03 0.32 0.40 0.87 -3.56 0.00 0.00 178.44 176.50 2x96 h LYS 471 N 0.00 0.87 -0.39 0.49 1.57 -0.79 0.10 116.57 118.42 2x96 h LYS 471 Ca -0.00 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.64 2x96 h LYS 471 Cb 0.58 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 2x96 h LYS 471 CO 0.04 0.62 -0.00 -0.07 -0.57 0.00 0.00 179.45 179.46 2x96 h LEU 472 N 0.88 0.69 -1.11 2.94 3.38 -1.28 0.58 115.31 121.39 2x96 h LEU 472 Ca 0.23 -0.31 0.02 0.00 0.09 0.00 0.00 57.88 57.91 2x96 h LEU 472 Cb -0.04 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.48 2x96 h LEU 472 CO -0.04 0.83 0.60 0.03 0.09 0.00 0.00 178.44 179.95 2x96 h ARG 473 N 0.53 1.17 0.73 1.13 2.47 -1.18 -0.72 114.38 118.50 2x96 h ARG 473 Ca 0.11 -0.07 -0.04 0.00 -1.26 0.00 0.00 59.98 58.72 2x96 h ARG 473 Cb 0.48 -0.26 0.01 0.00 -1.65 0.00 0.00 29.97 28.54 2x96 h ARG 473 CO 0.02 0.78 -0.35 0.22 0.56 0.00 0.00 179.97 181.20 2x96 h ASP 474 N 1.21 -0.83 -0.59 7.04 -0.00 -0.86 -1.67 116.42 120.73 2x96 h ASP 474 Ca 0.34 0.03 0.10 0.00 -0.00 0.00 0.00 57.03 57.51 2x96 h ASP 474 Cb -0.09 0.21 -0.08 0.00 -0.00 0.00 0.00 39.33 39.37 2x96 h ASP 474 CO -0.08 -0.46 0.15 -0.08 -0.00 0.00 0.00 179.24 178.77 2x96 h GLU 475 N -1.25 0.29 0.09 0.28 4.81 -0.62 -0.26 114.58 117.92 2x96 h GLU 475 Ca -0.10 -0.02 -0.35 0.00 -0.13 0.00 0.00 59.36 58.76 2x96 h GLU 475 Cb 0.75 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.04 2x96 h GLU 475 CO 0.16 0.19 -1.94 0.66 -0.73 0.00 0.00 179.01 177.36 2x96 n TYR 476 N -5.09 1.10 0.16 0.92 4.01 -0.30 -4.60 117.16 113.37 2x96 n TYR 476 Ca 0.08 0.27 0.09 0.00 -0.16 0.00 0.00 57.90 58.18 2x96 n TYR 476 Cb 0.30 -1.14 -0.13 0.00 -0.31 0.00 0.00 39.34 38.06 2x96 n TYR 476 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2x96 n SER 477 N -3.63 0.81 -2.76 7.72 7.64 -0.67 -4.85 113.62 117.89 2x96 n SER 477 Ca -0.34 -0.19 -0.19 0.00 1.01 0.00 0.00 58.87 59.17 2x96 n SER 477 Cb 0.98 1.67 0.05 0.00 -1.01 0.00 0.00 64.21 65.90 2x96 n SER 477 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2x96 n GLY 478 N 1.45 -0.29 3.51 0.23 0.00 -0.11 -4.94 105.19 105.04 2x96 n GLY 478 Ca -0.02 0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2x96 n GLY 478 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2x96 s ILE 479 N -3.16 2.05 0.11 -0.61 -5.25 -1.23 -1.20 121.20 111.91 2x96 s ILE 479 Ca 0.36 -2.18 -0.17 0.00 -0.99 0.00 0.00 60.65 57.67 2x96 s ILE 479 Cb -0.16 -2.59 0.04 0.00 2.95 0.00 0.00 42.46 42.70 2x96 s ILE 479 CO 0.45 -0.23 0.42 -1.83 -1.79 0.00 0.00 174.94 171.96 2x96 s GLU 480 N -3.65 1.06 0.74 0.37 -1.05 -0.70 -3.68 118.70 111.78 2x96 s GLU 480 Ca 0.32 -0.60 -0.15 0.00 -0.15 0.00 0.00 54.97 54.38 2x96 s GLU 480 Cb 0.03 0.47 0.03 0.00 -0.44 0.00 0.00 34.13 34.22 2x96 s GLU 480 CO 0.15 -0.41 1.09 -2.30 0.95 0.00 0.00 175.26 174.74 2x96 n PRO 481 N -0.07 0.49 0.24 -4.83 -0.02 -1.26 -0.86 135.00 128.69 2x96 n PRO 481 Ca -0.17 0.23 0.12 0.00 -2.02 0.00 0.00 63.50 61.67 2x96 n PRO 481 Cb 0.63 -2.34 0.51 0.00 -0.02 0.00 0.00 33.50 32.28 2x96 n PRO 481 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2x96 h PRO 482 N -0.37 0.00 -5.10 0.52 0.13 -1.96 -3.43 132.00 121.79 2x96 h PRO 482 Ca -0.47 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.31 2x96 h PRO 482 Cb 1.32 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.31 2x96 h PRO 482 CO 0.47 0.14 -0.70 0.14 -0.23 0.00 0.00 178.00 177.82 2x96 s VAL 483 N -3.62 1.17 0.07 1.56 -7.23 -1.26 -5.08 120.40 106.01 2x96 s VAL 483 Ca 0.01 -2.07 -0.31 0.00 -1.81 0.00 0.00 61.98 57.81 2x96 s VAL 483 Cb 0.09 -1.98 -0.08 0.00 0.56 0.00 0.00 36.38 34.97 2x96 s VAL 483 CO 0.61 -0.64 1.61 -0.69 -0.31 0.00 0.00 175.10 175.68 2x96 s VAL 484 N -3.33 3.11 0.32 1.32 1.01 -1.26 -4.90 120.40 116.66 2x96 s VAL 484 Ca 0.20 0.57 0.08 0.00 0.00 0.00 0.00 61.98 62.83 2x96 s VAL 484 Cb 0.03 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 2x96 s VAL 484 CO 0.03 0.00 0.20 -0.13 0.00 0.00 0.00 175.10 175.20 2x96 s ARG 485 N 2.48 2.60 0.01 2.72 1.81 0.16 -5.00 118.95 123.73 2x96 s ARG 485 Ca 0.72 -1.35 0.00 0.00 -1.72 0.00 0.00 55.73 53.38 2x96 s ARG 485 Cb -0.39 -2.36 -0.00 0.00 -0.45 0.00 0.00 34.95 31.75 2x96 s ARG 485 CO 0.31 0.18 0.01 -1.13 -0.68 0.00 0.00 175.30 173.99 2x96 n SER 486 N -1.22 -0.02 0.00 0.23 3.41 -1.26 -0.69 113.62 114.07 2x96 n SER 486 Ca -0.04 -1.04 0.12 0.00 -0.26 0.00 0.00 58.87 57.66 2x96 n SER 486 Cb 0.60 0.03 0.67 0.00 -0.26 0.00 0.00 64.21 65.25 2x96 n SER 486 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2x96 n GLU 487 N -0.01 0.54 0.23 4.33 -0.58 -1.25 -2.00 120.64 121.90 2x96 n GLU 487 Ca 0.00 0.03 0.14 0.00 -0.42 0.00 0.00 57.16 56.91 2x96 n GLU 487 Cb 0.01 -1.50 0.39 0.00 -0.57 0.00 0.00 31.44 29.77 2x96 n GLU 487 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2x96 h LYS 488 N 0.00 0.00 -6.23 3.49 1.57 -1.95 -3.45 116.57 110.00 2x96 h LYS 488 Ca 0.00 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 58.31 2x96 h LYS 488 Cb 0.12 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 2x96 h LYS 488 CO 0.00 0.00 -0.42 -0.51 -0.57 0.00 0.00 179.45 177.95 2x96 s ASP 489 N -5.78 5.92 -0.30 0.86 1.11 -0.85 -5.04 116.67 112.59 2x96 s ASP 489 Ca 0.05 -0.15 -0.02 0.00 0.18 0.00 0.00 52.55 52.61 2x96 s ASP 489 Cb 0.07 -1.45 0.12 0.00 1.07 0.00 0.00 42.92 42.74 2x96 s ASP 489 CO 0.60 -0.22 0.22 0.12 1.18 0.00 0.00 175.17 177.07 2x96 s PHE 490 N -2.12 0.02 -0.12 4.23 5.36 -1.26 -4.72 117.98 119.37 2x96 s PHE 490 Ca 0.38 -0.69 0.22 0.00 -0.96 0.00 0.00 56.93 55.88 2x96 s PHE 490 Cb -0.08 -0.70 -0.19 0.00 -0.34 0.00 0.00 43.02 41.71 2x96 s PHE 490 CO 0.29 -0.88 0.70 -0.25 -1.46 0.00 0.00 175.22 173.62 2x96 n ASP 491 N 5.06 0.39 -0.22 6.13 8.00 -1.26 -0.86 116.55 133.78 2x96 n ASP 491 Ca -0.01 0.15 0.01 0.00 0.71 0.00 0.00 54.79 55.66 2x96 n ASP 491 Cb 0.43 1.22 0.13 0.00 -0.02 0.00 0.00 41.12 42.88 2x96 n ASP 491 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2x96 h ALA 492 N 1.91 0.88 0.00 2.24 0.00 -1.94 -2.22 119.26 120.13 2x96 h ALA 492 Ca -0.04 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2x96 h ALA 492 Cb 1.11 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2x96 h ALA 492 CO 0.00 -0.18 0.00 -2.30 0.00 0.00 0.00 179.25 176.78 2x96 n PRO 493 N -4.98 0.36 0.04 0.00 -0.02 -1.26 -2.22 135.00 126.91 2x96 n PRO 493 Ca 0.10 0.08 0.06 0.00 -2.02 0.00 0.00 63.50 61.72 2x96 n PRO 493 Cb 0.31 -1.50 0.27 0.00 -0.02 0.00 0.00 33.50 32.56 2x96 n PRO 493 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2x96 n ALA 494 N -1.22 1.38 -2.69 3.55 0.00 -0.83 -4.04 120.51 116.66 2x96 n ALA 494 Ca 0.11 0.02 -0.37 0.00 0.00 0.00 0.00 53.44 53.19 2x96 n ALA 494 Cb 0.14 -1.19 -0.08 0.00 0.00 0.00 0.00 19.45 18.31 2x96 n ALA 494 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2x96 s LYS 495 N -3.11 4.18 0.19 0.00 2.47 -0.94 -4.90 119.74 117.62 2x96 s LYS 495 Ca 0.03 0.04 -0.21 0.00 -1.56 0.00 0.00 55.97 54.27 2x96 s LYS 495 Cb 0.06 -3.49 0.12 0.00 -1.46 0.00 0.00 37.83 33.06 2x96 s LYS 495 CO 0.19 0.10 1.59 -0.92 0.16 0.00 0.00 175.35 176.47 2x96 h TYR 496 N 7.12 -0.90 -0.07 4.03 3.20 -1.89 -0.71 116.97 127.76 2x96 h TYR 496 Ca -0.39 0.07 0.02 0.00 3.14 0.00 0.00 58.73 61.57 2x96 h TYR 496 Cb 1.16 0.48 -0.00 0.00 1.54 0.00 0.00 36.73 39.91 2x96 h TYR 496 CO 0.64 -0.38 0.05 0.45 -1.64 0.00 0.00 178.16 177.29 2x96 h HIS 497 N -0.16 0.00 0.02 -3.82 3.86 -1.92 0.15 115.15 113.28 2x96 h HIS 497 Ca 0.23 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.28 2x96 h HIS 497 Cb 0.55 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.03 2x96 h HIS 497 CO -0.62 0.00 -0.63 0.82 0.86 0.00 0.00 177.93 178.35 2x96 h ILE 498 N 0.00 1.44 -0.31 2.45 2.04 -1.41 0.12 117.51 121.84 2x96 h ILE 498 Ca 0.03 -2.15 -0.05 0.00 1.00 0.00 0.00 64.86 63.69 2x96 h ILE 498 Cb 0.14 2.69 -0.02 0.00 -0.74 0.00 0.00 36.82 38.89 2x96 h ILE 498 CO -0.00 0.62 -0.02 0.28 0.00 0.00 0.00 178.15 179.03 2x96 h SER 499 N -0.14 0.45 -0.25 1.72 0.02 -1.11 -3.18 113.55 111.05 2x96 h SER 499 Ca -0.09 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 2x96 h SER 499 Cb 1.36 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.79 2x96 h SER 499 CO 0.12 0.53 0.00 0.00 -1.14 0.00 0.00 176.83 176.35 2x96 n ALA 500 N -2.48 2.47 -3.58 3.77 0.00 0.47 -3.94 120.51 117.21 2x96 n ALA 500 Ca 0.01 -0.76 -0.22 0.00 0.00 0.00 0.00 53.44 52.47 2x96 n ALA 500 Cb 0.25 -0.96 0.05 0.00 0.00 0.00 0.00 19.45 18.79 2x96 n ALA 500 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2x96 n ASP 501 N 1.00 -3.35 -4.25 0.00 4.64 -0.54 -4.99 116.55 109.06 2x96 n ASP 501 Ca 0.18 -0.83 -0.34 0.00 -1.38 0.00 0.00 54.79 52.41 2x96 n ASP 501 Cb 0.50 -4.20 -0.15 0.00 -1.04 0.00 0.00 41.12 36.23 2x96 n ASP 501 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 2x96 s VAL 502 N -3.54 2.93 0.29 5.18 1.01 -0.08 -5.05 120.40 121.14 2x96 s VAL 502 Ca 0.21 -0.65 -0.29 0.00 0.00 0.00 0.00 61.98 61.25 2x96 s VAL 502 Cb -0.05 -2.31 -0.13 0.00 0.00 0.00 0.00 36.38 33.88 2x96 s VAL 502 CO 0.80 0.46 1.25 1.21 0.00 0.00 0.00 175.10 178.81 2x96 n GLU 503 N 4.74 1.86 -0.00 2.72 0.00 -1.26 -4.68 120.64 124.01 2x96 n GLU 503 Ca -0.19 0.66 0.07 0.00 0.00 0.00 0.00 57.16 57.70 2x96 n GLU 503 Cb 0.50 -2.20 -0.10 0.00 0.00 0.00 0.00 31.44 29.64 2x96 n GLU 503 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 2x96 n TYR 504 N 0.80 0.00 0.03 4.31 9.36 -1.26 -4.52 117.16 125.87 2x96 n TYR 504 Ca 0.08 0.00 0.11 0.00 3.32 0.00 0.00 57.90 61.42 2x96 n TYR 504 Cb 0.33 -0.24 0.56 0.00 -0.63 0.00 0.00 39.34 39.36 2x96 n TYR 504 CO 0.00 0.00 0.00 1.25 0.22 0.00 0.00 176.86 178.33 2x96 h LEU 505 N 0.00 0.22 -1.35 2.98 5.85 -1.92 -0.34 115.31 120.76 2x96 h LEU 505 Ca 0.00 0.00 0.36 0.00 0.84 0.00 0.00 57.88 59.08 2x96 h LEU 505 Cb 0.58 -0.05 -0.12 0.00 0.37 0.00 0.00 40.66 41.44 2x96 h LEU 505 CO 0.00 0.14 0.75 0.08 -0.34 0.00 0.00 178.44 179.08 2x96 h ARG 506 N 0.25 0.21 0.09 1.25 0.11 -1.89 -0.28 114.38 114.12 2x96 h ARG 506 Ca 0.19 -0.01 -0.26 0.00 0.10 0.00 0.00 59.98 60.00 2x96 h ARG 506 Cb 0.42 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 31.45 2x96 h ARG 506 CO -0.04 0.14 -1.15 1.88 0.10 0.00 0.00 179.97 180.90 2x96 h TYR 507 N 0.21 0.46 -0.23 4.08 0.05 -1.38 -0.70 116.97 119.47 2x96 h TYR 507 Ca 0.73 -0.31 -0.02 0.00 0.05 0.00 0.00 58.73 59.18 2x96 h TYR 507 Cb 2.10 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 39.80 2x96 h TYR 507 CO -0.00 1.21 0.07 1.25 -1.05 0.00 0.00 178.16 179.64 2x96 h LEU 508 N 0.09 0.33 -0.15 3.88 5.85 -1.19 -1.37 115.31 122.75 2x96 h LEU 508 Ca -0.11 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.42 2x96 h LEU 508 Cb 1.86 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.79 2x96 h LEU 508 CO 0.19 0.44 0.06 0.58 -0.34 0.00 0.00 178.44 179.36 2x96 h VAL 509 N 0.20 0.98 -0.41 1.05 2.07 -1.14 -2.81 116.25 116.19 2x96 h VAL 509 Ca 0.07 -0.05 0.08 0.00 0.82 0.00 0.00 66.70 67.63 2x96 h VAL 509 Cb 0.23 0.83 -0.07 0.00 -1.52 0.00 0.00 31.29 30.76 2x96 h VAL 509 CO -0.00 0.02 -0.04 -1.28 0.02 0.00 0.00 177.57 176.29 2x96 h SER 510 N 0.13 -0.26 0.55 0.57 0.87 -1.05 -0.18 113.55 114.18 2x96 h SER 510 Ca 0.06 0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.72 2x96 h SER 510 Cb 0.03 0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.19 2x96 h SER 510 CO -0.06 -0.09 -0.05 -0.26 -0.53 0.00 0.00 176.83 175.84 2x96 h PHE 511 N 0.06 0.00 0.00 2.24 0.05 -1.02 0.11 116.94 118.37 2x96 h PHE 511 Ca 0.20 0.00 -0.01 0.00 3.82 0.00 0.00 57.97 61.98 2x96 h PHE 511 Cb 0.30 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.24 2x96 h PHE 511 CO -0.31 0.05 -0.20 0.82 -0.18 0.00 0.00 178.31 178.50 2x96 h ILE 512 N 0.00 0.30 0.00 -0.55 2.04 -1.17 -3.41 117.51 114.72 2x96 h ILE 512 Ca -0.00 -1.25 -0.06 0.00 1.00 0.00 0.00 64.86 64.55 2x96 h ILE 512 Cb 0.34 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 2x96 h ILE 512 CO 0.01 0.10 -0.28 0.16 0.00 0.00 0.00 178.15 178.14 2x96 h ILE 513 N -1.00 0.87 0.00 -0.67 3.07 -0.86 -2.85 117.51 116.07 2x96 h ILE 513 Ca -0.02 -1.10 -0.01 0.00 1.55 0.00 0.00 64.86 65.28 2x96 h ILE 513 Cb 0.33 1.66 -0.00 0.00 -0.27 0.00 0.00 36.82 38.54 2x96 h ILE 513 CO -0.01 0.28 -0.03 0.06 -1.05 0.00 0.00 178.15 177.40 2x96 h GLN 514 N 0.00 0.00 0.01 0.16 3.07 -1.00 -0.18 115.11 117.16 2x96 h GLN 514 Ca -0.00 0.00 -0.20 0.00 0.09 0.00 0.00 58.65 58.54 2x96 h GLN 514 Cb 0.64 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.17 2x96 h GLN 514 CO 0.04 0.03 -0.93 0.74 0.09 0.00 0.00 178.83 178.80 2x96 h PHE 515 N 0.00 0.08 -0.23 0.06 0.04 -1.72 0.17 116.94 115.34 2x96 h PHE 515 Ca -0.00 -0.05 -0.01 0.00 2.80 0.00 0.00 57.97 60.71 2x96 h PHE 515 Cb 0.06 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.19 2x96 h PHE 515 CO 0.00 0.94 0.10 1.96 -0.60 0.00 0.00 178.31 180.71 2x96 h GLN 516 N 0.02 0.34 -0.12 1.51 4.20 -1.28 -0.62 115.11 119.17 2x96 h GLN 516 Ca -0.02 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 2x96 h GLN 516 Cb 1.62 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 29.33 2x96 h GLN 516 CO 0.13 0.38 0.06 0.74 -0.67 0.00 0.00 178.83 179.46 2x96 h PHE 517 N 0.23 0.16 -0.00 2.96 0.05 -1.04 -2.59 116.94 116.72 2x96 h PHE 517 Ca 0.08 -0.01 0.00 0.00 3.82 0.00 0.00 57.97 61.86 2x96 h PHE 517 Cb 0.16 -0.05 -0.00 0.00 2.00 0.00 0.00 35.95 38.06 2x96 h PHE 517 CO -0.01 0.21 -0.00 -0.92 -0.18 0.00 0.00 178.31 177.41 2x96 h TYR 518 N 0.07 -0.01 -0.18 -0.55 3.20 -0.65 0.11 116.97 118.95 2x96 h TYR 518 Ca 0.04 0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.96 2x96 h TYR 518 Cb 0.11 0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.33 2x96 h TYR 518 CO -0.03 -0.01 -0.16 -0.22 -1.64 0.00 0.00 178.16 176.10 2x96 h LYS 519 N -0.01 -0.17 -0.52 1.82 3.64 -1.14 0.11 116.57 120.30 2x96 h LYS 519 Ca 0.00 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.34 2x96 h LYS 519 Cb 0.01 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 2x96 h LYS 519 CO -0.01 -0.11 0.09 0.77 -2.27 0.00 0.00 179.45 177.93 2x96 h SER 520 N -0.18 0.81 -0.78 4.20 0.02 -1.30 -0.87 113.55 115.45 2x96 h SER 520 Ca 0.11 -0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 60.81 2x96 h SER 520 Cb 0.35 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.63 2x96 h SER 520 CO -0.29 0.86 0.47 0.00 -1.14 0.00 0.00 176.83 176.73 2x96 h ALA 521 N 0.98 1.00 -0.64 3.77 0.00 -0.50 -0.53 119.26 123.34 2x96 h ALA 521 Ca 0.16 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 2x96 h ALA 521 Cb 0.38 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2x96 h ALA 521 CO 0.01 0.47 0.07 0.00 0.00 0.00 0.00 179.25 179.80 2x96 h ILE 523 N 0.99 1.19 -0.65 0.00 2.04 -0.88 0.24 117.51 120.44 2x96 h ILE 523 Ca 0.19 -0.62 0.05 0.00 1.00 0.00 0.00 64.86 65.48 2x96 h ILE 523 Cb 0.48 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 2x96 h ILE 523 CO 0.02 0.20 0.43 0.11 0.00 0.00 0.00 178.15 178.91 2x96 h LYS 524 N 0.24 0.69 -0.00 2.37 1.57 -0.99 -1.73 116.57 118.72 2x96 h LYS 524 Ca 0.08 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2x96 h LYS 524 Cb 0.24 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.39 2x96 h LYS 524 CO -0.00 0.46 -0.03 0.00 -0.57 0.00 0.00 179.45 179.31 2x96 n ALA 525 N -2.46 2.64 -2.08 3.86 0.00 -0.26 -4.70 120.51 117.52 2x96 n ALA 525 Ca 0.09 -0.22 -0.14 0.00 0.00 0.00 0.00 53.44 53.17 2x96 n ALA 525 Cb 0.19 -1.44 -0.02 0.00 0.00 0.00 0.00 19.45 18.18 2x96 n ALA 525 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x96 n GLY 526 N 1.17 0.16 0.00 0.00 0.00 -0.65 -4.90 105.19 100.97 2x96 n GLY 526 Ca 0.18 -0.30 0.08 0.00 0.00 0.00 0.00 46.02 45.98 2x96 n GLY 526 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2x96 n GLN 527 N -2.42 1.29 -3.98 1.61 1.13 0.79 -4.91 117.38 110.89 2x96 n GLN 527 Ca -0.16 -0.02 -0.20 0.00 -1.94 0.00 0.00 57.00 54.68 2x96 n GLN 527 Cb 0.59 -1.31 -0.17 0.00 0.11 0.00 0.00 30.24 29.46 2x96 n GLN 527 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 2x96 s TYR 528 N -2.67 0.56 -0.12 1.08 5.04 -1.02 -4.52 117.35 115.71 2x96 s TYR 528 Ca 0.05 -0.11 -0.04 0.00 -2.44 0.00 0.00 57.07 54.53 2x96 s TYR 528 Cb 0.13 -0.61 0.05 0.00 0.35 0.00 0.00 41.96 41.89 2x96 s TYR 528 CO 0.70 -0.20 0.13 0.34 -1.34 0.00 0.00 175.55 175.18 2x96 s ASP 529 N 1.24 1.33 0.25 4.32 3.68 -1.11 -4.46 116.67 121.92 2x96 s ASP 529 Ca -0.06 -0.05 0.18 0.00 2.13 0.00 0.00 52.55 54.75 2x96 s ASP 529 Cb -0.13 0.08 0.93 0.00 -1.45 0.00 0.00 42.92 42.35 2x96 s ASP 529 CO -0.02 -0.29 1.56 -0.81 0.13 0.00 0.00 175.17 175.75 2x96 n PRO 530 N 5.31 0.12 -0.07 4.34 -0.04 -1.26 -1.46 135.00 141.94 2x96 n PRO 530 Ca -0.05 0.56 0.07 0.00 -0.04 0.00 0.00 63.50 64.04 2x96 n PRO 530 Cb 0.50 -1.85 0.10 0.00 -0.04 0.00 0.00 33.50 32.20 2x96 n PRO 530 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2x96 n ASP 531 N -2.11 2.45 -4.18 3.54 8.00 -1.26 -4.89 116.55 118.12 2x96 n ASP 531 Ca -0.00 -1.71 -0.35 0.00 0.71 0.00 0.00 54.79 53.44 2x96 n ASP 531 Cb 0.07 -0.09 -0.14 0.00 -0.02 0.00 0.00 41.12 40.94 2x96 n ASP 531 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2x96 s ASN 532 N -1.08 4.87 0.64 -2.24 3.84 -0.53 -4.98 114.94 115.45 2x96 s ASN 532 Ca 0.20 -1.25 0.39 0.00 0.21 0.00 0.00 52.86 52.41 2x96 s ASN 532 Cb 0.12 -1.71 2.20 0.00 -0.55 0.00 0.00 41.25 41.31 2x96 s ASN 532 CO 0.18 -0.25 2.32 1.62 -2.79 0.00 0.00 177.10 178.18 2x96 h VAL 533 N 6.45 0.18 -0.00 -5.21 3.04 -1.90 -1.04 116.25 117.77 2x96 h VAL 533 Ca -0.22 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 65.45 2x96 h VAL 533 Cb 1.06 1.02 0.00 0.00 -2.01 0.00 0.00 31.29 31.36 2x96 h VAL 533 CO 0.53 0.00 -0.20 -0.62 -1.01 0.00 0.00 177.57 176.28 2x96 n GLU 534 N -3.34 0.06 -3.19 4.17 -0.58 -1.26 -4.26 120.64 112.24 2x96 n GLU 534 Ca -0.03 -0.02 -0.25 0.00 -0.42 0.00 0.00 57.16 56.44 2x96 n GLU 534 Cb 0.08 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.40 2x96 n GLU 534 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2x96 n LEU 535 N -1.45 3.20 -4.80 -4.62 4.77 -0.39 -5.09 117.00 108.62 2x96 n LEU 535 Ca 0.07 -5.38 -0.34 0.00 -0.03 0.00 0.00 56.01 50.33 2x96 n LEU 535 Cb 0.33 -0.28 -0.05 0.00 -2.33 0.00 0.00 43.42 41.08 2x96 n LEU 535 CO 0.30 2.20 0.68 -2.16 -1.33 0.00 0.00 177.39 177.08 2x96 s PRO 536 N -2.67 4.13 0.31 3.23 0.04 -1.26 -2.74 135.00 136.04 2x96 s PRO 536 Ca 0.43 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.74 2x96 s PRO 536 Cb 0.23 -2.27 0.53 0.00 0.04 0.00 0.00 34.50 33.02 2x96 s PRO 536 CO -0.08 -0.14 1.96 1.25 0.04 0.00 0.00 177.00 180.04 2x96 h LEU 537 N 2.02 0.87 0.00 -3.56 5.85 -1.92 -2.31 115.31 116.26 2x96 h LEU 537 Ca -0.49 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.22 2x96 h LEU 537 Cb 1.20 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.02 2x96 h LEU 537 CO 0.61 0.61 0.00 -0.90 -0.34 0.00 0.00 178.44 178.42 2x96 n ASP 538 N -4.44 0.00 -0.43 1.25 5.75 -1.26 -2.51 116.55 114.91 2x96 n ASP 538 Ca 0.10 -0.47 0.07 0.00 -0.01 0.00 0.00 54.79 54.48 2x96 n ASP 538 Cb 0.09 -0.10 0.13 0.00 -1.03 0.00 0.00 41.12 40.21 2x96 n ASP 538 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2x96 n ASN 539 N -1.10 1.69 -4.71 -1.12 5.15 -0.87 -4.83 115.26 109.47 2x96 n ASN 539 Ca 0.14 -3.08 -0.42 0.00 -0.60 0.00 0.00 54.58 50.63 2x96 n ASN 539 Cb 0.11 -0.41 -0.03 0.00 -0.53 0.00 0.00 39.78 38.91 2x96 n ASN 539 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2x96 s ASP 541 N 1.02 4.09 0.00 0.00 3.68 -1.26 -4.36 116.67 119.83 2x96 s ASP 541 Ca 0.55 -1.09 0.20 0.00 2.13 0.00 0.00 52.55 54.33 2x96 s ASP 541 Cb -0.24 -1.56 0.77 0.00 -1.45 0.00 0.00 42.92 40.44 2x96 s ASP 541 CO 0.29 -0.13 1.55 2.30 0.13 0.00 0.00 175.17 179.30 2x96 n ILE 542 N 4.54 0.19 -1.63 4.11 -5.35 -1.26 -4.93 119.36 115.02 2x96 n ILE 542 Ca -0.16 -0.30 -0.45 0.00 -0.27 0.00 0.00 62.75 61.57 2x96 n ILE 542 Cb 0.45 0.27 -0.02 0.00 -1.74 0.00 0.00 39.64 38.60 2x96 n ILE 542 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2x96 n TYR 543 N 0.16 1.76 -0.93 4.28 9.36 -1.26 -1.98 117.16 128.56 2x96 n TYR 543 Ca 0.15 0.58 0.00 0.00 3.32 0.00 0.00 57.90 61.96 2x96 n TYR 543 Cb 0.29 -2.35 0.00 0.00 -0.63 0.00 0.00 39.34 36.64 2x96 n TYR 543 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2x96 n GLY 544 N 1.57 0.54 3.49 2.98 0.00 -1.24 -4.98 105.19 107.55 2x96 n GLY 544 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 2x96 n GLY 544 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2x96 s SER 545 N -2.35 6.29 0.31 1.61 0.15 -0.84 -4.75 113.70 114.12 2x96 s SER 545 Ca 0.00 -0.58 0.08 0.00 0.70 0.00 0.00 55.95 56.16 2x96 s SER 545 Cb 0.00 -2.34 0.50 0.00 -1.71 0.00 0.00 66.02 62.47 2x96 s SER 545 CO 0.00 -0.96 1.72 0.00 1.20 0.00 0.00 173.24 175.20 2x96 h ALA 546 N 9.05 1.15 -0.42 5.45 0.00 -1.78 -2.19 119.26 130.52 2x96 h ALA 546 Ca -0.26 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.17 2x96 h ALA 546 Cb 1.09 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 2x96 h ALA 546 CO 0.98 0.59 0.04 0.00 0.00 0.00 0.00 179.25 180.86 2x96 h ALA 547 N 1.43 0.55 -0.54 0.00 0.00 -1.89 0.94 119.26 119.77 2x96 h ALA 547 Ca 0.01 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 2x96 h ALA 547 Cb 0.82 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2x96 h ALA 547 CO 0.06 0.30 0.18 0.00 0.00 0.00 0.00 179.25 179.79 2x96 h ALA 548 N 0.92 0.70 -0.79 0.00 0.00 -1.80 -2.98 119.26 115.30 2x96 h ALA 548 Ca 0.12 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.86 2x96 h ALA 548 Cb 0.42 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2x96 h ALA 548 CO 0.01 0.35 0.52 0.78 0.00 0.00 0.00 179.25 180.92 2x96 h GLY 549 N 0.74 1.11 0.92 0.00 0.00 -1.17 -2.60 103.07 102.07 2x96 h GLY 549 Ca 0.18 -0.41 0.01 0.00 0.00 0.00 0.00 47.33 47.11 2x96 h GLY 549 CO -0.01 0.38 0.19 0.00 0.00 0.00 0.00 176.54 177.11 2x96 h ALA 550 N 1.52 0.41 -0.54 3.60 0.00 -0.67 0.28 119.26 123.86 2x96 h ALA 550 Ca 0.30 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.24 2x96 h ALA 550 Cb -0.08 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 2x96 h ALA 550 CO -0.07 -0.17 0.30 0.00 0.00 0.00 0.00 179.25 179.31 2x96 h ALA 551 N 1.15 0.70 -0.24 0.00 0.00 -1.36 -0.07 119.26 119.43 2x96 h ALA 551 Ca 0.13 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.06 2x96 h ALA 551 Cb 0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2x96 h ALA 551 CO -0.06 -0.03 0.14 0.74 0.00 0.00 0.00 179.25 180.04 2x96 h PHE 552 N 0.57 0.26 -0.37 0.00 0.04 -1.10 -2.24 116.94 114.09 2x96 h PHE 552 Ca 0.23 0.01 0.02 0.00 2.80 0.00 0.00 57.97 61.03 2x96 h PHE 552 Cb 0.11 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.15 2x96 h PHE 552 CO -0.09 0.15 0.22 1.25 -0.60 0.00 0.00 178.31 179.25 2x96 h HIS 553 N 0.29 0.41 -0.90 -0.55 2.76 -0.46 0.24 115.15 116.94 2x96 h HIS 553 Ca 0.09 0.01 0.09 0.00 -2.20 0.00 0.00 60.37 58.37 2x96 h HIS 553 Cb -0.00 -0.13 -0.06 0.00 1.55 0.00 0.00 27.41 28.76 2x96 h HIS 553 CO -0.08 0.24 0.58 -0.91 -1.30 0.00 0.00 177.93 176.46 2x96 h ASN 554 N 0.45 0.83 0.00 3.26 2.35 -0.88 -2.10 115.58 119.48 2x96 h ASN 554 Ca 0.15 0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.87 2x96 h ASN 554 Cb 0.00 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 2x96 h ASN 554 CO -0.07 0.50 -0.28 -0.03 -1.65 0.00 0.00 177.43 175.90 2x96 h MET 555 N 0.92 0.00 -0.21 0.81 4.05 -0.96 -3.39 114.93 116.16 2x96 h MET 555 Ca 0.41 0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 59.76 2x96 h MET 555 Cb 0.36 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.14 2x96 h MET 555 CO -0.17 0.67 -0.17 -0.07 0.23 0.00 0.00 176.91 177.40 2x96 h LEU 556 N -1.00 0.33 -2.28 3.39 3.38 -0.54 -2.57 115.31 116.03 2x96 h LEU 556 Ca -0.07 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 2x96 h LEU 556 Cb 0.77 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 2x96 h LEU 556 CO -0.04 0.53 -0.01 0.77 0.09 0.00 0.00 178.44 179.77 2x96 h SER 557 N 0.32 0.00 0.82 -0.43 4.64 -1.54 -2.22 113.55 115.15 2x96 h SER 557 Ca 0.06 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.30 2x96 h SER 557 Cb 0.49 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.57 2x96 h SER 557 CO 0.03 0.01 -0.38 0.24 -0.87 0.00 0.00 176.83 175.87 2x96 h MET 558 N 0.00 0.00 0.00 4.77 2.86 -1.64 -3.42 114.93 117.51 2x96 h MET 558 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2x96 h MET 558 Cb 0.24 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.90 2x96 h MET 558 CO 0.00 0.38 0.00 0.41 1.06 0.00 0.00 176.91 178.76 2x96 n GLY 559 N 0.20 3.09 1.84 8.32 0.00 -0.83 -1.41 105.19 116.40 2x96 n GLY 559 Ca -0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 46.02 45.91 2x96 n GLY 559 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x96 n ALA 560 N 9.72 4.25 0.29 4.61 0.00 -0.03 -3.37 120.51 135.98 2x96 n ALA 560 Ca 0.00 -2.27 0.16 0.00 0.00 0.00 0.00 53.44 51.33 2x96 n ALA 560 Cb 0.00 -1.15 0.85 0.00 0.00 0.00 0.00 19.45 19.15 2x96 n ALA 560 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2x96 h SER 561 N 2.89 0.00 -4.56 0.00 4.64 -1.44 -3.44 113.55 111.64 2x96 h SER 561 Ca 0.17 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.23 2x96 h SER 561 Cb 2.14 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 64.06 2x96 h SER 561 CO 0.62 0.06 -0.72 -0.54 -0.87 0.00 0.00 176.83 175.38 2x96 s LYS 562 N -4.15 0.77 0.49 4.77 -0.14 -1.26 -4.99 119.74 115.23 2x96 s LYS 562 Ca -0.03 -1.15 -0.23 0.00 -1.36 0.00 0.00 55.97 53.20 2x96 s LYS 562 Cb 0.13 -0.33 -0.08 0.00 -1.68 0.00 0.00 37.83 35.87 2x96 s LYS 562 CO 0.54 0.03 1.14 -2.30 -0.76 0.00 0.00 175.35 173.99 2x96 n PRO 563 N 0.47 1.47 -0.09 -1.68 -0.02 -1.26 -4.79 135.00 129.10 2x96 n PRO 563 Ca -0.16 0.54 0.22 0.00 -2.02 0.00 0.00 63.50 62.08 2x96 n PRO 563 Cb 0.58 -2.27 0.66 0.00 -0.02 0.00 0.00 33.50 32.46 2x96 n PRO 563 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 2x96 h TRP 564 N 1.43 0.11 0.00 6.00 5.08 -1.91 -0.21 115.95 126.44 2x96 h TRP 564 Ca -0.48 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.49 2x96 h TRP 564 Cb 1.33 -0.03 -0.00 0.00 -3.00 0.00 0.00 29.16 27.45 2x96 h TRP 564 CO 0.44 0.04 -0.03 -1.35 -1.28 0.00 0.00 178.44 176.25 2x96 h PRO 565 N 0.09 0.00 -0.06 0.12 0.11 -1.89 -0.77 132.00 129.59 2x96 h PRO 565 Ca 0.34 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.33 2x96 h PRO 565 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 2x96 h PRO 565 CO -0.03 0.03 -0.52 -0.44 -0.21 0.00 0.00 178.00 176.83 2x96 h ASP 566 N 0.00 0.17 -0.10 -2.05 3.45 -1.36 -1.05 116.42 115.47 2x96 h ASP 566 Ca -0.00 -0.08 -0.22 0.00 0.43 0.00 0.00 57.03 57.15 2x96 h ASP 566 Cb 0.05 -0.05 0.01 0.00 -0.56 0.00 0.00 39.33 38.78 2x96 h ASP 566 CO 0.00 0.66 -0.80 0.00 -1.57 0.00 0.00 179.24 177.53 2x96 h ALA 567 N 1.35 0.32 -0.70 3.45 0.00 -1.35 -1.77 119.26 120.56 2x96 h ALA 567 Ca 0.00 -0.61 -0.03 0.00 0.00 0.00 0.00 54.91 54.27 2x96 h ALA 567 Cb 0.96 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 2x96 h ALA 567 CO 0.08 0.69 0.31 1.25 0.00 0.00 0.00 179.25 181.58 2x96 h LEU 568 N 0.51 0.94 -0.99 0.00 5.85 -1.10 -2.80 115.31 117.71 2x96 h LEU 568 Ca -0.06 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 2x96 h LEU 568 Cb 1.43 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 42.17 2x96 h LEU 568 CO 0.16 0.83 0.48 -0.08 -0.34 0.00 0.00 178.44 179.50 2x96 h GLU 569 N 0.99 1.19 0.00 1.25 4.81 -0.02 -1.31 114.58 121.49 2x96 h GLU 569 Ca 0.24 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 2x96 h GLU 569 Cb 0.16 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.30 2x96 h GLU 569 CO -0.03 0.86 -0.07 0.00 -0.73 0.00 0.00 179.01 179.04 2x96 h ALA 570 N 1.33 1.80 0.05 2.92 0.00 -1.08 0.82 119.26 125.10 2x96 h ALA 570 Ca 0.30 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 2x96 h ALA 570 Cb 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2x96 h ALA 570 CO -0.05 0.09 -0.02 0.35 0.00 0.00 0.00 179.25 179.62 2x96 h PHE 571 N 0.00 -0.06 0.00 0.00 3.57 -1.02 -3.42 116.94 116.01 2x96 h PHE 571 Ca -0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2x96 h PHE 571 Cb 0.14 0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.89 2x96 h PHE 571 CO 0.00 0.37 0.00 0.27 -2.23 0.00 0.00 178.31 176.72 2x96 n ASN 572 N -4.76 0.15 0.00 0.41 0.23 -0.77 -4.83 115.26 105.69 2x96 n ASN 572 Ca -0.05 -1.08 0.00 0.00 -0.53 0.00 0.00 54.58 52.92 2x96 n ASN 572 Cb 0.22 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.92 2x96 n ASN 572 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2x96 n GLY 573 N -0.04 0.98 3.95 4.83 0.00 0.28 -5.00 105.19 110.18 2x96 n GLY 573 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2x96 n GLY 573 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x96 s GLU 574 N -0.08 3.48 0.00 1.61 2.02 -1.26 -4.84 118.70 119.63 2x96 s GLU 574 Ca 0.00 -0.49 0.00 0.00 0.02 0.00 0.00 54.97 54.50 2x96 s GLU 574 Cb 0.00 -2.82 0.00 0.00 0.10 0.00 0.00 34.13 31.41 2x96 s GLU 574 CO 0.00 0.35 0.36 0.54 0.02 0.00 0.00 175.26 176.53 2x96 n ARG 575 N -1.18 -0.36 -5.14 1.61 1.74 -1.26 -1.45 116.66 110.61 2x96 n ARG 575 Ca -0.06 -0.39 -0.31 0.00 -0.77 0.00 0.00 57.85 56.32 2x96 n ARG 575 Cb 0.55 -0.81 -0.17 0.00 -1.02 0.00 0.00 32.46 31.02 2x96 n ARG 575 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2x96 s ILE 576 N -0.06 1.93 0.01 0.55 1.01 -1.26 -4.67 121.20 118.71 2x96 s ILE 576 Ca 0.00 -0.95 -0.30 0.00 0.00 0.00 0.00 60.65 59.39 2x96 s ILE 576 Cb 0.00 -1.67 -0.06 0.00 0.01 0.00 0.00 42.46 40.74 2x96 s ILE 576 CO 0.00 0.53 1.48 -0.32 0.00 0.00 0.00 174.94 176.63 2x96 s MET 577 N 0.31 4.25 -0.01 2.79 -2.45 -1.26 -5.01 119.30 117.93 2x96 s MET 577 Ca -0.16 2.07 -0.01 0.00 -1.25 0.00 0.00 55.69 56.33 2x96 s MET 577 Cb -0.17 -3.60 0.00 0.00 1.25 0.00 0.00 34.83 32.31 2x96 s MET 577 CO 0.08 -0.63 0.03 0.45 1.05 0.00 0.00 175.02 176.00 2x96 s SER 578 N 2.08 -0.00 0.00 1.11 0.15 -1.26 -5.02 113.70 110.76 2x96 s SER 578 Ca 0.67 -0.00 0.24 0.00 0.70 0.00 0.00 55.95 57.55 2x96 s SER 578 Cb -0.34 0.08 1.05 0.00 -1.71 0.00 0.00 66.02 65.11 2x96 s SER 578 CO 0.28 -0.06 1.72 0.61 1.20 0.00 0.00 173.24 176.99 2x96 n GLY 579 N 2.83 -0.23 0.22 9.45 0.00 -1.26 -4.29 105.19 111.91 2x96 n GLY 579 Ca -0.14 -0.33 -0.04 0.00 0.00 0.00 0.00 46.02 45.51 2x96 n GLY 579 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2x96 h LYS 580 N 1.49 0.51 -0.29 1.61 3.64 -1.96 -2.43 116.57 119.14 2x96 h LYS 580 Ca 0.00 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.24 2x96 h LYS 580 Cb 0.32 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 2x96 h LYS 580 CO 0.00 0.34 -0.25 0.00 -2.27 0.00 0.00 179.45 177.27 2x96 h ALA 581 N 1.29 0.42 -0.67 5.00 0.00 -1.89 -0.23 119.26 123.18 2x96 h ALA 581 Ca 0.24 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 2x96 h ALA 581 Cb 0.15 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2x96 h ALA 581 CO -0.17 0.40 0.17 0.97 0.00 0.00 0.00 179.25 180.63 2x96 h ILE 582 N 0.42 1.25 -0.65 0.00 2.10 -1.82 -1.18 117.51 117.64 2x96 h ILE 582 Ca 0.05 -0.92 -0.09 0.00 1.08 0.00 0.00 64.86 64.98 2x96 h ILE 582 Cb 0.81 0.55 -0.02 0.00 -1.09 0.00 0.00 36.82 37.06 2x96 h ILE 582 CO 0.06 0.35 0.05 0.00 -1.08 0.00 0.00 178.15 177.54 2x96 h ALA 583 N 1.18 0.87 -0.24 0.18 0.00 -1.29 -2.57 119.26 117.39 2x96 h ALA 583 Ca 0.21 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.84 2x96 h ALA 583 Cb 0.34 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2x96 h ALA 583 CO -0.00 0.68 0.12 1.49 0.00 0.00 0.00 179.25 181.54 2x96 h GLU 584 N 1.02 0.25 -0.66 0.00 4.81 -0.72 -0.31 114.58 118.98 2x96 h GLU 584 Ca 0.19 -0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.49 2x96 h GLU 584 Cb 0.51 -0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.77 2x96 h GLU 584 CO 0.02 0.17 0.32 -0.92 -0.73 0.00 0.00 179.01 177.87 2x96 h TYR 585 N 0.26 0.58 -0.09 0.92 3.20 -1.07 -3.01 116.97 117.76 2x96 h TYR 585 Ca 0.10 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.00 2x96 h TYR 585 Cb 0.02 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.13 2x96 h TYR 585 CO -0.09 0.22 0.00 1.19 -1.64 0.00 0.00 178.16 177.84 2x96 n PHE 586 N -4.88 0.09 -0.26 -3.82 3.72 -0.98 -4.51 117.46 106.83 2x96 n PHE 586 Ca 0.09 -0.05 0.04 0.00 -0.05 0.00 0.00 57.45 57.48 2x96 n PHE 586 Cb 0.24 0.00 0.17 0.00 -0.94 0.00 0.00 39.48 38.95 2x96 n PHE 586 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 2x96 h GLU 587 N 3.59 0.57 -0.19 -1.08 4.57 -0.91 0.05 114.58 121.17 2x96 h GLU 587 Ca 0.00 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.10 2x96 h GLU 587 Cb 0.77 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.22 2x96 h GLU 587 CO 0.00 0.37 -0.08 -1.35 -1.18 0.00 0.00 179.01 176.78 2x96 h PRO 588 N 0.58 0.30 -0.30 0.92 0.11 -1.82 -2.09 132.00 129.71 2x96 h PRO 588 Ca 0.40 -0.06 -0.13 0.00 0.11 0.00 0.00 66.00 66.32 2x96 h PRO 588 Cb 0.50 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.56 2x96 h PRO 588 CO -0.32 0.39 -0.32 1.25 -0.21 0.00 0.00 178.00 178.79 2x96 h LEU 589 N 0.28 0.79 -0.40 2.35 5.85 -1.51 -2.69 115.31 119.99 2x96 h LEU 589 Ca 0.06 -0.48 0.04 0.00 0.84 0.00 0.00 57.88 58.34 2x96 h LEU 589 Cb 0.32 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 2x96 h LEU 589 CO 0.02 1.11 0.17 -0.09 -0.34 0.00 0.00 178.44 179.31 2x96 h ARG 590 N 0.49 0.34 -0.01 1.25 2.43 -0.64 0.20 114.38 118.45 2x96 h ARG 590 Ca 0.04 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2x96 h ARG 590 Cb 0.90 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.37 2x96 h ARG 590 CO 0.08 0.23 0.00 0.28 -1.51 0.00 0.00 179.97 179.05 2x96 h VAL 591 N 0.35 1.09 -0.64 0.20 2.07 -1.44 -1.65 116.25 116.24 2x96 h VAL 591 Ca 0.18 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 2x96 h VAL 591 Cb 0.13 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 2x96 h VAL 591 CO -0.16 0.07 0.36 -0.25 0.02 0.00 0.00 177.57 177.61 2x96 h TRP 592 N -0.10 0.88 -0.21 1.57 7.01 -1.20 -2.98 115.95 120.92 2x96 h TRP 592 Ca 0.00 -0.02 -0.18 0.00 2.11 0.00 0.00 58.89 60.81 2x96 h TRP 592 Cb 0.11 -0.28 0.00 0.00 -2.10 0.00 0.00 29.16 26.89 2x96 h TRP 592 CO -0.04 0.62 -0.56 1.25 -2.79 0.00 0.00 178.44 176.93 2x96 h LEU 593 N 0.88 0.85 -0.77 0.65 5.85 -0.51 -0.66 115.31 121.59 2x96 h LEU 593 Ca 0.23 -0.58 0.06 0.00 0.84 0.00 0.00 57.88 58.43 2x96 h LEU 593 Cb 0.03 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 40.76 2x96 h LEU 593 CO -0.04 1.27 0.46 -0.33 -0.34 0.00 0.00 178.44 179.46 2x96 h GLU 594 N 0.46 0.83 -0.40 1.25 5.08 -1.34 -0.28 114.58 120.18 2x96 h GLU 594 Ca -0.01 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.16 2x96 h GLU 594 Cb 1.17 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 2x96 h GLU 594 CO 0.12 0.55 -0.31 0.00 -1.00 0.00 0.00 179.01 178.37 2x96 h ALA 595 N 1.37 0.69 -0.46 3.43 0.00 -1.40 -2.55 119.26 120.34 2x96 h ALA 595 Ca 0.33 -0.42 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 2x96 h ALA 595 Cb 0.15 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2x96 h ALA 595 CO -0.17 0.67 -0.22 1.49 0.00 0.00 0.00 179.25 181.02 2x96 h GLU 596 N 0.75 0.97 -0.56 0.00 4.57 -0.68 -0.24 114.58 119.39 2x96 h GLU 596 Ca 0.08 -0.42 -0.06 0.00 -1.18 0.00 0.00 59.36 57.78 2x96 h GLU 596 Cb 0.87 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.41 2x96 h GLU 596 CO 0.08 1.09 0.11 -0.91 -1.18 0.00 0.00 179.01 178.20 2x96 h ASN 597 N 0.82 0.83 -0.26 1.04 2.35 -1.07 -1.48 115.58 117.80 2x96 h ASN 597 Ca 0.10 -0.17 -0.06 0.00 -0.55 0.00 0.00 56.30 55.63 2x96 h ASN 597 Cb 0.80 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.95 2x96 h ASN 597 CO 0.07 0.83 -0.07 0.40 -1.65 0.00 0.00 177.43 177.01 2x96 h ILE 598 N 0.84 1.28 -0.91 2.81 2.04 -1.25 0.16 117.51 122.48 2x96 h ILE 598 Ca 0.18 -1.09 0.06 0.00 1.00 0.00 0.00 64.86 65.01 2x96 h ILE 598 Cb 0.35 1.45 -0.06 0.00 -0.74 0.00 0.00 36.82 37.82 2x96 h ILE 598 CO 0.00 0.34 0.59 0.11 0.00 0.00 0.00 178.15 179.20 2x96 h LYS 599 N 0.26 1.03 -0.69 2.37 1.57 -0.85 -2.38 116.57 117.89 2x96 h LYS 599 Ca 0.07 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2x96 h LYS 599 Cb 0.54 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.62 2x96 h LYS 599 CO 0.03 0.68 0.00 0.09 -0.57 0.00 0.00 179.45 179.68 2x96 n ASN 600 N -4.48 4.03 -3.98 0.86 3.02 -0.57 -4.96 115.26 109.17 2x96 n ASN 600 Ca 0.13 -2.14 -0.29 0.00 -0.03 0.00 0.00 54.58 52.26 2x96 n ASN 600 Cb 0.17 -0.50 -0.01 0.00 -0.61 0.00 0.00 39.78 38.84 2x96 n ASN 600 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2x96 n ASN 601 N 1.41 -2.14 -4.70 6.41 5.15 -0.61 -4.87 115.26 115.91 2x96 n ASN 601 Ca 0.24 -0.93 -0.42 0.00 -0.60 0.00 0.00 54.58 52.86 2x96 n ASN 601 Cb 0.68 -3.29 -0.03 0.00 -0.53 0.00 0.00 39.78 36.61 2x96 n ASN 601 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2x96 s VAL 602 N -3.61 4.49 0.13 3.44 1.01 0.46 -4.99 120.40 121.32 2x96 s VAL 602 Ca 0.33 1.78 -0.31 0.00 0.00 0.00 0.00 61.98 63.79 2x96 s VAL 602 Cb -0.17 -4.14 -0.07 0.00 0.00 0.00 0.00 36.38 31.99 2x96 s VAL 602 CO 0.88 0.09 1.26 -2.28 0.00 0.00 0.00 175.10 175.05 2x96 s HIS 603 N 1.43 3.36 -0.10 5.22 2.46 -1.26 -4.89 115.29 121.51 2x96 s HIS 603 Ca 0.54 1.23 0.00 0.00 0.47 0.00 0.00 55.06 57.30 2x96 s HIS 603 Cb -0.24 -3.52 -0.02 0.00 -0.13 0.00 0.00 32.58 28.67 2x96 s HIS 603 CO 0.25 -1.63 -0.11 0.42 -2.47 0.00 0.00 174.74 171.21 2x96 s ILE 604 N 0.65 3.31 0.00 0.89 -1.09 -1.26 -4.63 121.20 119.07 2x96 s ILE 604 Ca 0.58 -0.59 0.00 0.00 -2.23 0.00 0.00 60.65 58.41 2x96 s ILE 604 Cb -0.33 -2.37 0.00 0.00 -1.58 0.00 0.00 42.46 38.18 2x96 s ILE 604 CO 0.33 0.55 0.00 0.61 -1.23 0.00 0.00 174.94 175.19 2x96 n GLY 605 N 3.02 0.74 3.20 6.18 0.00 -1.26 -5.09 105.19 111.98 2x96 n GLY 605 Ca -0.18 -2.02 -0.13 0.00 0.00 0.00 0.00 46.02 43.69 2x96 n GLY 605 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2x96 s TRP 606 N -1.52 -0.17 0.82 1.61 -2.14 -1.26 -4.77 118.94 111.51 2x96 s TRP 606 Ca 0.00 0.30 -0.11 0.00 2.66 0.00 0.00 56.10 58.94 2x96 s TRP 606 Cb 0.00 0.07 0.09 0.00 -3.10 0.00 0.00 33.47 30.53 2x96 s TRP 606 CO 0.00 -0.32 1.09 0.95 -2.66 0.00 0.00 176.95 176.01 2x96 s THR 607 N -1.04 3.02 0.23 0.66 -4.23 -0.29 -4.93 115.64 109.07 2x96 s THR 607 Ca -0.11 0.33 -0.30 0.00 -1.18 0.00 0.00 61.69 60.43 2x96 s THR 607 Cb -0.05 -2.94 -0.09 0.00 1.34 0.00 0.00 72.50 70.76 2x96 s THR 607 CO 0.03 -0.43 1.28 -0.89 -0.54 0.00 0.00 174.62 174.06 2x96 s THR 608 N -3.02 3.18 0.50 3.99 2.01 -1.26 -4.23 115.64 116.80 2x96 s THR 608 Ca 0.62 1.03 -0.23 0.00 0.31 0.00 0.00 61.69 63.41 2x96 s THR 608 Cb -0.16 -3.65 -0.06 0.00 0.01 0.00 0.00 72.50 68.63 2x96 s THR 608 CO 0.56 0.18 1.29 -0.55 -0.69 0.00 0.00 174.62 175.41 2x96 s SER 609 N 0.04 5.71 -0.13 3.53 0.15 -1.26 -4.96 113.70 116.78 2x96 s SER 609 Ca 0.54 2.61 0.15 0.00 0.70 0.00 0.00 55.95 59.95 2x96 s SER 609 Cb -0.36 -2.63 0.49 0.00 -1.71 0.00 0.00 66.02 61.81 2x96 s SER 609 CO 0.41 -1.25 1.40 0.59 1.20 0.00 0.00 173.24 175.58 2x96 n ASN 610 N -0.68 3.72 -0.52 5.45 3.02 -1.26 -4.70 115.26 120.29 2x96 n ASN 610 Ca 0.08 -2.75 0.13 0.00 -0.03 0.00 0.00 54.58 52.02 2x96 n ASN 610 Cb 0.46 -0.47 0.47 0.00 -0.61 0.00 0.00 39.78 39.63 2x96 n ASN 610 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2x96 n LYS 611 N -0.18 1.71 -3.82 3.52 4.76 -1.26 -4.66 118.16 118.22 2x96 n LYS 611 Ca 0.19 -1.04 -0.29 0.00 -2.87 0.00 0.00 58.31 54.30 2x96 n LYS 611 Cb 0.79 -1.46 -0.16 0.00 -1.84 0.00 0.00 35.03 32.36 2x96 n LYS 611 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2x96 s VAL 613 N 1.59 4.92 -2.11 0.00 1.01 0.14 -4.96 120.40 120.99 2x96 s VAL 613 Ca 0.00 1.58 0.31 0.00 0.00 0.00 0.00 61.98 63.87 2x96 s VAL 613 Cb -0.18 -4.11 0.83 0.00 0.00 0.00 0.00 36.38 32.92 2x96 s VAL 613 CO -0.11 0.08 2.13 -1.20 0.00 0.00 0.00 175.10 176.00