#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x93 h LEU 18 N 0.00 0.20 -0.39 0.00 3.38 -2.00 -2.67 115.31 113.83 2x93 h LEU 18 Ca 0.00 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 2x93 h LEU 18 Cb 0.00 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2x93 h LEU 18 CO 0.00 0.63 0.12 0.58 0.09 0.00 0.00 178.44 179.86 2x93 h VAL 19 N 0.16 1.22 -0.21 1.22 2.07 -2.00 -1.37 116.25 117.34 2x93 h VAL 19 Ca 0.01 -0.71 -0.15 0.00 0.82 0.00 0.00 66.70 66.67 2x93 h VAL 19 Cb 0.86 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 2x93 h VAL 19 CO 0.07 0.25 -0.50 0.11 0.02 0.00 0.00 177.57 177.52 2x93 h LYS 20 N 0.49 0.57 -0.52 1.57 6.56 -2.00 -3.15 116.57 120.09 2x93 h LYS 20 Ca 0.13 -0.33 -0.12 0.00 -1.06 0.00 0.00 60.65 59.26 2x93 h LYS 20 Cb 0.26 0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 31.93 2x93 h LYS 20 CO -0.00 0.94 -0.15 1.49 -2.06 0.00 0.00 179.45 179.66 2x93 h GLU 21 N 0.45 1.02 -0.29 3.15 4.81 -1.34 -2.51 114.58 119.87 2x93 h GLU 21 Ca 0.02 -0.40 -0.05 0.00 -0.13 0.00 0.00 59.36 58.80 2x93 h GLU 21 Cb 1.03 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.34 2x93 h GLU 21 CO 0.10 1.09 -0.04 1.49 -0.73 0.00 0.00 179.01 180.91 2x93 h GLU 22 N 0.90 0.45 -0.33 1.92 4.81 -1.27 0.29 114.58 121.35 2x93 h GLU 22 Ca 0.13 -0.10 -0.06 0.00 -0.13 0.00 0.00 59.36 59.20 2x93 h GLU 22 Cb 0.73 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 2x93 h GLU 22 CO 0.06 0.51 -0.02 0.82 -0.73 0.00 0.00 179.01 179.65 2x93 h ILE 23 N 0.43 1.26 -0.44 2.32 2.04 -1.49 -2.47 117.51 119.17 2x93 h ILE 23 Ca 0.09 -1.01 -0.08 0.00 1.00 0.00 0.00 64.86 64.86 2x93 h ILE 23 Cb 0.35 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 2x93 h ILE 23 CO 0.01 0.33 -0.07 1.56 0.00 0.00 0.00 178.15 179.99 2x93 h GLN 24 N 0.40 0.76 -0.78 2.37 4.20 -0.96 -2.98 115.11 118.12 2x93 h GLN 24 Ca 0.09 -0.23 -0.05 0.00 0.06 0.00 0.00 58.65 58.52 2x93 h GLN 24 Cb 0.48 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.15 2x93 h GLN 24 CO 0.02 0.81 0.30 0.00 -0.67 0.00 0.00 178.83 179.29 2x93 h ALA 25 N 1.23 1.06 -0.73 3.87 0.00 -0.38 -0.41 119.26 123.89 2x93 h ALA 25 Ca 0.13 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.85 2x93 h ALA 25 Cb 0.53 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 2x93 h ALA 25 CO 0.03 0.66 0.48 -0.22 0.00 0.00 0.00 179.25 180.21 2x93 h LYS 26 N 1.14 0.95 -0.54 0.00 3.64 -1.30 -0.26 116.57 120.20 2x93 h LYS 26 Ca 0.26 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.51 2x93 h LYS 26 Cb 0.23 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 2x93 h LYS 26 CO -0.02 0.63 0.05 0.93 -2.27 0.00 0.00 179.45 178.77 2x93 h GLU 27 N 0.98 0.93 -0.28 1.90 5.08 -1.33 -2.31 114.58 119.55 2x93 h GLU 27 Ca 0.27 -0.27 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2x93 h GLU 27 Cb -0.10 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 2x93 h GLU 27 CO -0.07 0.92 0.14 -0.92 -1.00 0.00 0.00 179.01 178.08 2x93 h TYR 28 N 0.81 0.26 -0.66 4.33 3.20 -0.69 -2.80 116.97 121.42 2x93 h TYR 28 Ca 0.16 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.96 2x93 h TYR 28 Cb 0.47 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.64 2x93 h TYR 28 CO 0.03 0.15 0.10 -0.07 -1.64 0.00 0.00 178.16 176.73 2x93 h LEU 29 N 0.30 1.06 -0.32 2.82 3.38 -0.99 -1.27 115.31 120.28 2x93 h LEU 29 Ca 0.11 -0.26 0.03 0.00 0.09 0.00 0.00 57.88 57.85 2x93 h LEU 29 Cb 0.03 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 2x93 h LEU 29 CO -0.07 1.05 0.15 -0.08 0.09 0.00 0.00 178.44 179.58 2x93 h GLU 30 N 1.02 0.30 -0.25 1.13 4.81 -1.31 -0.22 114.58 120.06 2x93 h GLU 30 Ca 0.20 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.30 2x93 h GLU 30 Cb 0.45 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.76 2x93 h GLU 30 CO 0.01 0.20 -0.27 -0.97 -0.73 0.00 0.00 179.01 177.25 2x93 h ASN 31 N 0.31 0.66 -0.55 1.04 -1.24 -1.40 -3.13 115.58 111.28 2x93 h ASN 31 Ca 0.14 -0.48 -0.03 0.00 0.71 0.00 0.00 56.30 56.63 2x93 h ASN 31 Cb 0.07 -0.19 -0.02 0.00 0.73 0.00 0.00 38.32 38.90 2x93 h ASN 31 CO -0.11 1.01 0.23 0.25 -1.29 0.00 0.00 177.43 177.53 2x93 h LEU 32 N 0.33 0.75 -0.51 0.34 5.85 -1.08 -1.49 115.31 119.50 2x93 h LEU 32 Ca 0.04 -0.16 0.06 0.00 0.84 0.00 0.00 57.88 58.66 2x93 h LEU 32 Cb 0.84 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.62 2x93 h LEU 32 CO 0.07 0.71 0.21 0.78 -0.34 0.00 0.00 178.44 179.86 2x93 h ASN 33 N 0.75 0.26 -0.76 1.25 2.35 -1.10 0.19 115.58 118.51 2x93 h ASN 33 Ca 0.19 0.05 -0.06 0.00 -0.55 0.00 0.00 56.30 55.93 2x93 h ASN 33 Cb 0.18 0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.53 2x93 h ASN 33 CO -0.02 0.18 0.25 0.11 -1.65 0.00 0.00 177.43 176.30 2x93 h LYS 34 N 0.41 1.17 -0.61 0.81 1.57 -1.45 -0.59 116.57 117.88 2x93 h LYS 34 Ca 0.24 -0.24 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 2x93 h LYS 34 Cb 0.22 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 2x93 h LYS 34 CO -0.21 0.98 0.19 1.49 -0.57 0.00 0.00 179.45 181.33 2x93 h GLU 35 N 1.12 0.95 -0.65 3.15 4.81 -0.77 -2.14 114.58 121.06 2x93 h GLU 35 Ca 0.25 -0.21 -0.07 0.00 -0.13 0.00 0.00 59.36 59.20 2x93 h GLU 35 Cb 0.29 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 2x93 h GLU 35 CO -0.01 0.84 0.14 -0.07 -0.73 0.00 0.00 179.01 179.18 2x93 h LEU 36 N 0.87 1.01 -0.71 1.64 3.38 -0.29 -1.15 115.31 120.05 2x93 h LEU 36 Ca 0.20 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.93 2x93 h LEU 36 Cb 0.29 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 2x93 h LEU 36 CO -0.01 0.99 0.47 0.00 0.09 0.00 0.00 178.44 179.98 2x93 h ALA 37 N 1.05 0.90 -0.31 1.53 0.00 -0.98 -0.47 119.26 120.98 2x93 h ALA 37 Ca 0.20 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 2x93 h ALA 37 Cb 0.39 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2x93 h ALA 37 CO 0.01 0.33 -0.15 -0.22 0.00 0.00 0.00 179.25 179.22 2x93 h LYS 38 N 0.96 0.64 -0.37 0.00 1.63 -1.17 -1.15 116.57 117.13 2x93 h LYS 38 Ca 0.26 -0.28 -0.08 0.00 -0.85 0.00 0.00 60.65 59.70 2x93 h LYS 38 Cb -0.11 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.49 2x93 h LYS 38 CO -0.06 0.86 -0.12 0.00 -3.45 0.00 0.00 179.45 176.68 2x93 h ARG 39 N 0.40 0.64 -0.08 1.90 3.08 -1.12 -3.00 114.38 116.19 2x93 h ARG 39 Ca 0.07 -0.20 -0.16 0.00 0.07 0.00 0.00 59.98 59.75 2x93 h ARG 39 Cb 0.67 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 2x93 h ARG 39 CO 0.04 0.75 -0.65 1.15 -1.07 0.00 0.00 179.97 180.20 2x93 h THR 40 N 0.59 1.38 -0.50 2.04 2.02 -0.98 -2.83 112.91 114.64 2x93 h THR 40 Ca 0.10 -2.04 0.10 0.00 0.77 0.00 0.00 66.41 65.34 2x93 h THR 40 Cb 0.55 2.03 -0.08 0.00 -1.74 0.00 0.00 68.15 68.91 2x93 h THR 40 CO 0.03 0.61 -0.00 -1.13 0.37 0.00 0.00 175.52 175.40 2x93 h ASN 41 N 0.23 -0.22 -0.51 4.18 -0.73 -1.07 0.13 115.58 117.59 2x93 h ASN 41 Ca -0.01 0.12 -0.01 0.00 1.87 0.00 0.00 56.30 58.27 2x93 h ASN 41 Cb 1.18 0.21 -0.02 0.00 0.27 0.00 0.00 38.32 39.96 2x93 h ASN 41 CO 0.11 -0.07 0.27 0.58 -0.37 0.00 0.00 177.43 177.94 2x93 h VAL 42 N 0.11 1.18 -0.54 2.57 2.07 -1.44 -0.81 116.25 119.39 2x93 h VAL 42 Ca 0.25 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 2x93 h VAL 42 Cb 0.38 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 2x93 h VAL 42 CO -0.42 0.19 0.27 -0.08 0.02 0.00 0.00 177.57 177.55 2x93 h GLU 43 N 0.68 0.78 -0.69 1.57 4.81 -1.20 -2.77 114.58 117.76 2x93 h GLU 43 Ca 0.18 -0.11 -0.07 0.00 -0.13 0.00 0.00 59.36 59.22 2x93 h GLU 43 Cb 0.06 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 2x93 h GLU 43 CO -0.03 0.64 0.14 1.15 -0.73 0.00 0.00 179.01 180.18 2x93 h THR 44 N 0.73 1.26 -0.73 0.32 2.02 -0.46 -1.31 112.91 114.75 2x93 h THR 44 Ca 0.19 -1.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.36 2x93 h THR 44 Cb 0.11 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.06 2x93 h THR 44 CO -0.02 0.38 0.42 -0.33 0.37 0.00 0.00 175.52 176.34 2x93 h GLU 45 N 1.05 0.99 -0.55 6.66 4.39 -1.07 0.76 114.58 126.82 2x93 h GLU 45 Ca 0.21 -0.10 -0.10 0.00 0.34 0.00 0.00 59.36 59.71 2x93 h GLU 45 Cb 0.40 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 2x93 h GLU 45 CO 0.01 0.72 -0.06 0.00 -1.16 0.00 0.00 179.01 178.51 2x93 h ALA 46 N 1.22 0.84 -0.63 3.43 0.00 -1.23 -1.10 119.26 121.80 2x93 h ALA 46 Ca 0.26 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 2x93 h ALA 46 Cb -0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2x93 h ALA 46 CO -0.05 0.66 0.05 0.00 0.00 0.00 0.00 179.25 179.92 2x93 h ALA 47 N 1.01 0.91 -0.47 0.00 0.00 -0.92 -2.34 119.26 117.46 2x93 h ALA 47 Ca 0.15 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 2x93 h ALA 47 Cb 0.61 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2x93 h ALA 47 CO 0.04 0.66 0.12 2.35 0.00 0.00 0.00 179.25 182.42 2x93 h TRP 48 N 0.98 0.78 -0.57 0.00 2.91 -0.70 -1.56 115.95 117.80 2x93 h TRP 48 Ca 0.19 -0.09 -0.03 0.00 1.13 0.00 0.00 58.89 60.08 2x93 h TRP 48 Cb 0.49 -0.22 -0.03 0.00 -0.51 0.00 0.00 29.16 28.89 2x93 h TRP 48 CO 0.03 0.71 0.21 0.00 -1.03 0.00 0.00 178.44 178.37 2x93 h ALA 49 N 0.98 1.31 -0.09 2.65 0.00 -1.07 -1.23 119.26 121.80 2x93 h ALA 49 Ca 0.15 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 2x93 h ALA 49 Cb 0.32 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2x93 h ALA 49 CO 0.00 0.51 -0.29 -0.92 0.00 0.00 0.00 179.25 178.55 2x93 h TYR 50 N 0.81 0.47 0.00 0.00 3.20 -1.29 -2.36 116.97 117.80 2x93 h TYR 50 Ca 0.19 -0.19 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 2x93 h TYR 50 Cb 0.18 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 2x93 h TYR 50 CO 0.01 0.90 -0.19 0.78 -1.64 0.00 0.00 178.16 178.02 2x93 h GLY 51 N -0.09 0.00 1.31 1.82 0.00 -1.13 -2.30 103.07 102.68 2x93 h GLY 51 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2x93 h GLY 51 CO 0.06 0.00 -0.55 1.76 0.00 0.00 0.00 176.54 177.81 2x93 h SER 52 N 0.00 0.00 -0.82 0.19 0.02 -1.25 -1.05 113.55 110.65 2x93 h SER 52 Ca -0.00 -0.14 -0.06 0.00 -0.84 0.00 0.00 61.79 60.74 2x93 h SER 52 Cb 0.41 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 62.78 2x93 h SER 52 CO 0.02 0.07 -0.39 0.21 -1.14 0.00 0.00 176.83 175.60 2x93 s ASN 53 N -4.56 -1.23 -0.43 3.07 2.47 -0.89 -4.76 114.94 108.62 2x93 s ASN 53 Ca 0.06 -1.02 -0.29 0.00 0.42 0.00 0.00 52.86 52.04 2x93 s ASN 53 Cb 0.12 1.59 0.01 0.00 -1.45 0.00 0.00 41.25 41.52 2x93 s ASN 53 CO 0.71 -0.09 1.42 -0.63 -3.72 0.00 0.00 177.10 174.79 2x93 s ILE 54 N 1.41 3.88 0.11 -5.21 1.01 0.08 -4.39 121.20 118.08 2x93 s ILE 54 Ca 0.22 0.88 -0.00 0.00 0.00 0.00 0.00 60.65 61.75 2x93 s ILE 54 Cb 0.00 -4.21 -0.04 0.00 0.01 0.00 0.00 42.46 38.22 2x93 s ILE 54 CO -0.08 -0.79 0.00 0.42 0.00 0.00 0.00 174.94 174.49 2x93 s THR 55 N 5.57 0.32 0.37 2.92 -4.23 -1.26 -4.57 115.64 114.76 2x93 s THR 55 Ca 0.61 -1.90 0.05 0.00 -1.18 0.00 0.00 61.69 59.27 2x93 s THR 55 Cb -0.13 -1.86 0.24 0.00 1.34 0.00 0.00 72.50 72.08 2x93 s THR 55 CO 0.32 -0.68 2.00 0.44 -0.54 0.00 0.00 174.62 176.16 2x93 h ASP 56 N 2.93 0.54 -0.19 3.99 3.32 -1.99 -1.88 116.42 123.13 2x93 h ASP 56 Ca -0.35 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 56.59 2x93 h ASP 56 Cb 1.18 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.59 2x93 h ASP 56 CO 0.63 0.45 -0.15 -0.08 -1.72 0.00 0.00 179.24 178.37 2x93 h GLU 57 N 0.62 0.44 -0.31 3.56 4.81 -1.97 -2.27 114.58 119.46 2x93 h GLU 57 Ca 0.16 -0.22 -0.10 0.00 -0.13 0.00 0.00 59.36 59.07 2x93 h GLU 57 Cb 0.04 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 2x93 h GLU 57 CO -0.02 0.77 -0.22 -0.91 -0.73 0.00 0.00 179.01 177.90 2x93 h ASN 58 N 0.12 0.59 -0.09 1.04 2.35 -1.84 -1.28 115.58 116.46 2x93 h ASN 58 Ca 0.04 -0.20 -0.00 0.00 -0.55 0.00 0.00 56.30 55.59 2x93 h ASN 58 Cb 0.67 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.88 2x93 h ASN 58 CO 0.04 0.81 0.04 -0.08 -1.65 0.00 0.00 177.43 176.59 2x93 h GLU 59 N 0.52 0.13 -0.45 0.81 4.81 -1.35 -0.08 114.58 118.96 2x93 h GLU 59 Ca 0.08 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.33 2x93 h GLU 59 Cb 0.66 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.98 2x93 h GLU 59 CO 0.05 0.19 0.22 -0.22 -0.73 0.00 0.00 179.01 178.51 2x93 h LYS 60 N 0.03 0.43 -0.18 1.92 3.64 -1.28 -1.23 116.57 119.90 2x93 h LYS 60 Ca 0.03 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2x93 h LYS 60 Cb 0.10 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 2x93 h LYS 60 CO -0.00 0.28 0.11 0.87 -2.27 0.00 0.00 179.45 178.44 2x93 h LYS 61 N 0.44 0.24 -0.07 1.90 1.57 -1.09 -1.61 116.57 117.94 2x93 h LYS 61 Ca 0.20 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.97 2x93 h LYS 61 Cb 0.11 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 2x93 h LYS 61 CO -0.14 0.20 -0.04 -0.22 -0.57 0.00 0.00 179.45 178.68 2x93 h LYS 62 N 0.22 -0.03 -0.10 3.15 3.64 -0.76 -2.55 116.57 120.13 2x93 h LYS 62 Ca 0.06 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.33 2x93 h LYS 62 Cb 0.02 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 2x93 h LYS 62 CO -0.01 -0.02 -0.48 -0.91 -2.27 0.00 0.00 179.45 175.75 2x93 h ASN 63 N -0.04 0.26 -0.21 4.20 2.35 -1.18 -2.41 115.58 118.55 2x93 h ASN 63 Ca 0.04 -0.12 -0.16 0.00 -0.55 0.00 0.00 56.30 55.51 2x93 h ASN 63 Cb 0.10 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 2x93 h ASN 63 CO -0.09 0.70 -0.45 -0.33 -1.65 0.00 0.00 177.43 175.62 2x93 h GLU 64 N 0.20 0.77 -0.35 0.81 5.08 -1.22 -2.15 114.58 117.72 2x93 h GLU 64 Ca 0.01 -0.43 -0.15 0.00 -1.00 0.00 0.00 59.36 57.79 2x93 h GLU 64 Cb 0.92 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 2x93 h GLU 64 CO 0.07 1.06 -0.38 0.82 -1.00 0.00 0.00 179.01 179.59 2x93 h ILE 65 N 0.62 1.28 -0.64 3.13 1.08 -1.39 -2.41 117.51 119.18 2x93 h ILE 65 Ca 0.04 -1.55 -0.03 0.00 -0.39 0.00 0.00 64.86 62.93 2x93 h ILE 65 Cb 1.01 1.41 -0.03 0.00 -3.07 0.00 0.00 36.82 36.15 2x93 h ILE 65 CO 0.10 0.51 0.28 0.28 -0.69 0.00 0.00 178.15 178.62 2x93 h SER 66 N 0.68 0.87 -0.80 1.72 0.02 -1.40 -1.21 113.55 113.44 2x93 h SER 66 Ca 0.06 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 2x93 h SER 66 Cb 0.94 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 63.22 2x93 h SER 66 CO 0.09 0.79 0.48 0.00 -1.14 0.00 0.00 176.83 177.05 2x93 h ALA 67 N 1.12 1.33 -0.31 3.77 0.00 -1.32 -0.05 119.26 123.80 2x93 h ALA 67 Ca 0.22 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 2x93 h ALA 67 Cb 0.18 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2x93 h ALA 67 CO -0.02 0.57 0.05 1.49 0.00 0.00 0.00 179.25 181.34 2x93 h GLU 68 N 1.12 0.52 -0.63 0.00 4.81 -1.00 -2.14 114.58 117.26 2x93 h GLU 68 Ca 0.29 -0.14 -0.08 0.00 -0.13 0.00 0.00 59.36 59.30 2x93 h GLU 68 Cb -0.04 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 2x93 h GLU 68 CO -0.05 0.61 0.09 1.25 -0.73 0.00 0.00 179.01 180.18 2x93 h LEU 69 N 0.34 1.00 -0.73 1.64 5.85 -0.93 -2.60 115.31 119.89 2x93 h LEU 69 Ca 0.09 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 2x93 h LEU 69 Cb 0.35 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 2x93 h LEU 69 CO 0.01 1.00 0.45 0.00 -0.34 0.00 0.00 178.44 179.55 2x93 h ALA 70 N 1.12 0.92 -0.94 1.25 0.00 -0.93 -0.81 119.26 119.88 2x93 h ALA 70 Ca 0.19 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.04 2x93 h ALA 70 Cb 0.43 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 2x93 h ALA 70 CO 0.01 0.38 0.62 -0.22 0.00 0.00 0.00 179.25 180.04 2x93 h LYS 71 N 0.99 1.23 -0.50 0.00 3.64 -1.22 -1.75 116.57 118.96 2x93 h LYS 71 Ca 0.26 -0.08 -0.12 0.00 -1.27 0.00 0.00 60.65 59.45 2x93 h LYS 71 Cb -0.05 -0.28 -0.02 0.00 -0.41 0.00 0.00 32.23 31.47 2x93 h LYS 71 CO -0.05 0.82 -0.15 0.35 -2.27 0.00 0.00 179.45 178.14 2x93 h PHE 72 N 1.27 1.09 -0.90 1.91 3.57 -1.06 -2.90 116.94 119.92 2x93 h PHE 72 Ca 0.34 -0.24 0.00 0.00 3.53 0.00 0.00 57.97 61.61 2x93 h PHE 72 Cb -0.14 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 38.29 2x93 h PHE 72 CO -0.01 1.04 0.57 0.52 -2.23 0.00 0.00 178.31 178.21 2x93 h MET 73 N 0.85 1.20 -0.55 1.11 2.86 -0.74 -1.02 114.93 118.65 2x93 h MET 73 Ca 0.13 -0.09 0.07 0.00 -2.06 0.00 0.00 59.70 57.74 2x93 h MET 73 Cb 0.71 -0.26 -0.06 0.00 0.06 0.00 0.00 31.60 32.05 2x93 h MET 73 CO 0.05 0.82 0.24 0.87 1.06 0.00 0.00 176.91 179.96 2x93 h LYS 74 N 1.23 0.45 -0.63 1.72 1.57 -1.23 0.12 116.57 119.80 2x93 h LYS 74 Ca 0.33 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.07 2x93 h LYS 74 Cb -0.10 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.08 2x93 h LYS 74 CO -0.07 0.29 0.34 1.49 -0.57 0.00 0.00 179.45 180.93 2x93 h GLU 75 N 0.46 0.88 0.37 3.15 4.81 -1.22 -1.29 114.58 121.74 2x93 h GLU 75 Ca 0.26 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 2x93 h GLU 75 Cb 0.24 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.46 2x93 h GLU 75 CO -0.22 0.68 -0.18 0.28 -0.73 0.00 0.00 179.01 178.84 2x93 h VAL 76 N 0.86 0.64 -0.88 0.32 2.07 -0.64 -0.41 116.25 118.21 2x93 h VAL 76 Ca 0.22 -0.13 0.11 0.00 0.82 0.00 0.00 66.70 67.72 2x93 h VAL 76 Cb 0.06 0.71 -0.08 0.00 -1.52 0.00 0.00 31.29 30.46 2x93 h VAL 76 CO -0.03 0.03 0.52 0.00 0.02 0.00 0.00 177.57 178.10 2x93 h ALA 77 N 0.04 1.29 -0.50 1.67 0.00 -0.69 -0.06 119.26 121.02 2x93 h ALA 77 Ca -0.05 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2x93 h ALA 77 Cb 0.42 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2x93 h ALA 77 CO 0.08 0.12 0.31 1.03 0.00 0.00 0.00 179.25 180.79 2x93 h SER 78 N 0.84 0.60 0.32 0.00 0.87 -1.10 -3.01 113.55 112.07 2x93 h SER 78 Ca 0.44 -0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.91 2x93 h SER 78 Cb 0.43 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 62.23 2x93 h SER 78 CO -0.26 0.47 -0.16 0.44 -0.53 0.00 0.00 176.83 176.79 2x93 h ASP 79 N 0.67 0.00 0.18 6.23 3.45 0.72 -2.79 116.42 124.88 2x93 h ASP 79 Ca 0.18 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.62 2x93 h ASP 79 Cb -0.02 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 38.75 2x93 h ASP 79 CO -0.03 0.16 -0.09 0.71 -1.57 0.00 0.00 179.24 178.42 2x93 h THR 80 N 0.00 0.72 0.00 0.35 1.35 -1.15 -2.06 112.91 112.12 2x93 h THR 80 Ca -0.00 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 2x93 h THR 80 Cb 0.36 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.99 2x93 h THR 80 CO 0.02 0.09 0.00 0.35 -0.25 0.00 0.00 175.52 175.73 2x93 n THR 81 N -3.93 0.73 0.85 6.82 -2.24 -1.05 -2.11 114.28 113.34 2x93 n THR 81 Ca -0.02 0.15 0.13 0.00 -2.27 0.00 0.00 64.05 62.04 2x93 n THR 81 Cb 0.18 -0.90 0.40 0.00 -2.10 0.00 0.00 70.33 67.91 2x93 n THR 81 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2x93 n LYS 82 N -1.70 0.11 -4.29 -0.78 5.02 -0.77 -4.79 118.16 110.95 2x93 n LYS 82 Ca 0.04 0.06 -0.35 0.00 -2.02 0.00 0.00 58.31 56.04 2x93 n LYS 82 Cb 0.24 -1.59 -0.10 0.00 -0.02 0.00 0.00 35.03 33.55 2x93 n LYS 82 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2x93 s PHE 83 N -3.05 3.17 -0.60 2.13 0.08 -0.90 -5.01 117.98 113.79 2x93 s PHE 83 Ca 0.11 0.09 -0.07 0.00 0.12 0.00 0.00 56.93 57.18 2x93 s PHE 83 Cb 0.16 -1.88 -0.18 0.00 -0.57 0.00 0.00 43.02 40.55 2x93 s PHE 83 CO 0.62 0.32 3.32 1.04 -0.10 0.00 0.00 175.22 180.43 2x93 n GLN 84 N 2.66 2.67 0.07 0.44 1.13 -1.26 -4.73 117.38 118.35 2x93 n GLN 84 Ca -0.18 -1.56 0.01 0.00 -1.94 0.00 0.00 57.00 53.33 2x93 n GLN 84 Cb 0.53 -2.29 0.34 0.00 0.11 0.00 0.00 30.24 28.93 2x93 n GLN 84 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 2x93 h TRP 85 N 3.71 0.38 0.00 1.08 5.08 -1.95 -1.03 115.95 123.22 2x93 h TRP 85 Ca 0.45 -0.04 0.00 0.00 1.08 0.00 0.00 58.89 60.37 2x93 h TRP 85 Cb 1.03 -0.11 0.00 0.00 -3.00 0.00 0.00 29.16 27.08 2x93 h TRP 85 CO 1.80 0.45 0.00 0.00 -1.28 0.00 0.00 178.44 179.41 2x93 h ARG 86 N 0.35 0.00 -0.01 0.12 3.08 -1.95 -2.25 114.38 113.71 2x93 h ARG 86 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2x93 h ARG 86 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 2x93 h ARG 86 CO 0.02 0.00 -0.17 0.43 -1.07 0.00 0.00 179.97 179.18 2x93 n SER 87 N -2.92 1.03 -4.80 7.04 7.64 -0.39 -4.98 113.62 116.23 2x93 n SER 87 Ca -0.01 -0.98 -0.32 0.00 1.01 0.00 0.00 58.87 58.57 2x93 n SER 87 Cb 0.15 0.07 0.03 0.00 -1.01 0.00 0.00 64.21 63.45 2x93 n SER 87 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2x93 s TYR 88 N -2.38 2.92 0.08 1.43 2.02 -0.85 -4.98 117.35 115.59 2x93 s TYR 88 Ca 0.28 1.50 -0.08 0.00 -0.37 0.00 0.00 57.07 58.41 2x93 s TYR 88 Cb 0.20 -3.01 -0.26 0.00 -0.40 0.00 0.00 41.96 38.49 2x93 s TYR 88 CO 0.47 -1.28 1.15 1.96 -1.57 0.00 0.00 175.55 176.28 2x93 h GLN 89 N 0.03 0.41 -6.37 -0.62 1.08 -1.93 -3.45 115.11 104.25 2x93 h GLN 89 Ca -0.46 -0.60 -0.57 0.00 -1.45 0.00 0.00 58.65 55.57 2x93 h GLN 89 Cb 1.22 0.21 -0.06 0.00 -0.05 0.00 0.00 27.48 28.81 2x93 h GLN 89 CO 0.56 1.26 0.92 0.45 -0.95 0.00 0.00 178.83 181.07 2x93 s SER 90 N -7.26 6.77 0.38 1.46 0.15 -1.26 -4.90 113.70 109.04 2x93 s SER 90 Ca -0.06 1.08 0.06 0.00 0.70 0.00 0.00 55.95 57.73 2x93 s SER 90 Cb 0.07 -2.54 0.78 0.00 -1.71 0.00 0.00 66.02 62.61 2x93 s SER 90 CO 0.90 -1.02 2.01 -0.33 1.20 0.00 0.00 173.24 176.01 2x93 h GLU 91 N 8.81 0.67 -0.23 5.44 4.39 -1.99 -2.10 114.58 129.55 2x93 h GLU 91 Ca -0.24 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.39 2x93 h GLU 91 Cb 1.08 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.57 2x93 h GLU 91 CO 1.04 0.44 0.03 0.22 -1.16 0.00 0.00 179.01 179.58 2x93 h ASP 92 N 0.69 0.38 -0.47 1.42 3.58 -1.94 -0.93 116.42 119.14 2x93 h ASP 92 Ca 0.22 -0.27 -0.06 0.00 0.42 0.00 0.00 57.03 57.35 2x93 h ASP 92 Cb 0.05 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 40.98 2x93 h ASP 92 CO -0.06 0.56 0.08 -0.07 -2.88 0.00 0.00 179.24 176.87 2x93 h LEU 93 N 0.18 0.75 -0.93 2.28 3.38 -1.92 -2.29 115.31 116.75 2x93 h LEU 93 Ca 0.07 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.80 2x93 h LEU 93 Cb 0.35 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 2x93 h LEU 93 CO 0.01 0.82 0.62 0.11 0.09 0.00 0.00 178.44 180.08 2x93 h LYS 94 N 0.65 1.21 -0.63 1.13 1.57 -1.33 -1.71 116.57 117.47 2x93 h LYS 94 Ca 0.14 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.81 2x93 h LYS 94 Cb 0.38 -0.27 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 2x93 h LYS 94 CO 0.01 0.80 0.21 -0.09 -0.57 0.00 0.00 179.45 179.81 2x93 h ARG 95 N 1.25 0.97 -0.18 3.15 2.43 -0.98 -1.34 114.38 119.67 2x93 h ARG 95 Ca 0.35 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 2x93 h ARG 95 Cb -0.11 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.28 2x93 h ARG 95 CO -0.08 0.84 0.05 1.96 -1.51 0.00 0.00 179.97 181.23 2x93 h GLN 96 N 0.90 0.28 -0.85 0.20 4.20 -1.11 -1.92 115.11 116.81 2x93 h GLN 96 Ca 0.20 -0.06 0.02 0.00 0.06 0.00 0.00 58.65 58.87 2x93 h GLN 96 Cb 0.26 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 27.96 2x93 h GLN 96 CO -0.01 0.40 0.56 0.74 -0.67 0.00 0.00 178.83 179.84 2x93 h PHE 97 N 0.11 1.05 -0.58 2.96 0.04 -1.25 -2.12 116.94 117.17 2x93 h PHE 97 Ca 0.06 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.85 2x93 h PHE 97 Cb 0.23 -0.35 -0.03 0.00 2.20 0.00 0.00 35.95 38.00 2x93 h PHE 97 CO 0.00 0.64 0.36 -0.22 -0.60 0.00 0.00 178.31 178.49 2x93 h LYS 98 N 1.12 0.78 -0.98 1.51 3.64 -1.12 -2.12 116.57 119.40 2x93 h LYS 98 Ca 0.32 -0.06 0.10 0.00 -1.27 0.00 0.00 60.65 59.74 2x93 h LYS 98 Cb -0.07 -0.17 -0.08 0.00 -0.41 0.00 0.00 32.23 31.50 2x93 h LYS 98 CO -0.09 0.55 0.61 0.00 -2.27 0.00 0.00 179.45 178.25 2x93 h ALA 99 N 1.18 1.42 0.00 5.00 0.00 -0.86 -1.93 119.26 124.08 2x93 h ALA 99 Ca 0.21 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2x93 h ALA 99 Cb -0.04 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.53 2x93 h ALA 99 CO -0.04 0.28 0.00 -0.07 0.00 0.00 0.00 179.25 179.42 2x93 h LEU 100 N 1.02 0.00 -0.02 0.00 3.38 -0.75 -2.89 115.31 116.06 2x93 h LEU 100 Ca 0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.43 2x93 h LEU 100 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2x93 h LEU 100 CO -0.23 0.00 0.00 0.71 0.09 0.00 0.00 178.44 179.01 2x93 h THR 101 N 0.00 0.00 -2.15 0.22 1.35 -0.88 -3.38 112.91 108.07 2x93 h THR 101 Ca 0.00 -0.93 -0.65 0.00 -0.55 0.00 0.00 66.41 64.28 2x93 h THR 101 Cb 0.51 1.93 -0.15 0.00 -1.73 0.00 0.00 68.15 68.72 2x93 h THR 101 CO 0.00 0.00 0.94 -0.54 -0.25 0.00 0.00 175.52 175.67 2x93 s LYS 102 N -3.20 3.47 0.27 4.72 1.02 -1.09 -4.86 119.74 120.07 2x93 s LYS 102 Ca 0.07 -1.34 0.14 0.00 0.02 0.00 0.00 55.97 54.87 2x93 s LYS 102 Cb 0.06 -4.84 0.17 0.00 -0.52 0.00 0.00 37.83 32.70 2x93 s LYS 102 CO 0.66 -1.90 1.49 -0.07 -0.92 0.00 0.00 175.35 174.61 2x93 h LEU 103 N 11.30 0.00 0.00 3.17 3.38 -1.87 -3.49 115.31 127.80 2x93 h LEU 103 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2x93 h LEU 103 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2x93 h LEU 103 CO 1.21 0.56 0.00 0.61 0.09 0.00 0.00 178.44 180.91 2x93 n GLY 104 N 0.99 3.12 0.28 0.83 0.00 -1.26 -1.92 105.19 107.23 2x93 n GLY 104 Ca 0.01 -0.20 0.13 0.00 0.00 0.00 0.00 46.02 45.97 2x93 n GLY 104 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2x93 h TYR 105 N 0.00 0.00 0.00 1.61 0.05 -1.95 -2.48 116.97 114.20 2x93 h TYR 105 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2x93 h TYR 105 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 2x93 h TYR 105 CO 0.00 0.02 0.00 0.00 -1.05 0.00 0.00 178.16 177.13 2x93 n ALA 106 N -2.36 1.23 0.24 3.88 0.00 -0.81 -1.50 120.51 121.19 2x93 n ALA 106 Ca -0.03 -0.02 0.14 0.00 0.00 0.00 0.00 53.44 53.53 2x93 n ALA 106 Cb 0.10 -1.08 0.39 0.00 0.00 0.00 0.00 19.45 18.87 2x93 n ALA 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2x93 h ALA 107 N 2.17 0.99 -2.86 0.00 0.00 -1.59 -3.43 119.26 114.55 2x93 h ALA 107 Ca 0.00 -0.01 -0.53 0.00 0.00 0.00 0.00 54.91 54.37 2x93 h ALA 107 Cb 0.08 -0.00 0.11 0.00 0.00 0.00 0.00 17.79 17.98 2x93 h ALA 107 CO 0.00 0.02 0.52 -0.51 0.00 0.00 0.00 179.25 179.27 2x93 s LEU 108 N -6.22 3.81 0.66 0.00 1.43 -0.56 -4.98 118.68 112.83 2x93 s LEU 108 Ca 0.04 2.48 -0.17 0.00 -1.03 0.00 0.00 54.13 55.45 2x93 s LEU 108 Cb 0.07 -4.41 -0.01 0.00 0.03 0.00 0.00 46.19 41.87 2x93 s LEU 108 CO 0.62 -1.41 1.10 -2.65 0.23 0.00 0.00 176.35 174.24 2x93 n PRO 109 N -1.13 0.83 -0.28 1.29 -0.02 -1.26 -4.63 135.00 129.80 2x93 n PRO 109 Ca 0.11 0.34 0.03 0.00 -2.02 0.00 0.00 63.50 61.96 2x93 n PRO 109 Cb 0.48 -2.34 0.11 0.00 -0.02 0.00 0.00 33.50 31.73 2x93 n PRO 109 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2x93 h GLU 110 N 0.22 0.01 -0.46 -0.52 4.81 -1.96 -0.53 114.58 116.15 2x93 h GLU 110 Ca -0.49 -0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 58.60 2x93 h GLU 110 Cb 1.34 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.71 2x93 h GLU 110 CO 0.50 0.01 -0.25 -0.44 -0.73 0.00 0.00 179.01 178.10 2x93 h ASP 111 N 0.01 0.99 -0.51 1.04 3.32 -2.00 -2.24 116.42 117.04 2x93 h ASP 111 Ca 0.40 -0.39 -0.09 0.00 0.02 0.00 0.00 57.03 56.97 2x93 h ASP 111 Cb 0.63 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 2x93 h ASP 111 CO -0.82 1.18 -0.01 0.44 -1.72 0.00 0.00 179.24 178.31 2x93 h ASP 112 N 0.82 0.92 -0.51 6.45 3.32 -1.57 -1.65 116.42 124.20 2x93 h ASP 112 Ca 0.10 -0.25 -0.07 0.00 0.02 0.00 0.00 57.03 56.83 2x93 h ASP 112 Cb 0.82 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.10 2x93 h ASP 112 CO 0.07 0.98 0.04 0.22 -1.72 0.00 0.00 179.24 178.84 2x93 h TYR 113 N 0.87 0.93 -0.72 4.55 3.20 -1.07 -1.30 116.97 123.43 2x93 h TYR 113 Ca 0.16 -0.15 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 2x93 h TYR 113 Cb 0.52 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.51 2x93 h TYR 113 CO 0.03 0.86 0.40 0.00 -1.64 0.00 0.00 178.16 177.81 2x93 h ALA 114 N 0.96 0.93 -0.60 1.82 0.00 -1.26 -1.38 119.26 119.72 2x93 h ALA 114 Ca 0.15 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2x93 h ALA 114 Cb 0.46 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2x93 h ALA 114 CO 0.02 0.44 0.25 1.49 0.00 0.00 0.00 179.25 181.45 2x93 h GLU 115 N 1.00 0.88 -0.40 0.00 4.81 -1.13 -1.84 114.58 117.91 2x93 h GLU 115 Ca 0.26 -0.15 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 2x93 h GLU 115 Cb 0.03 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 2x93 h GLU 115 CO -0.04 0.74 0.17 1.25 -0.73 0.00 0.00 179.01 180.40 2x93 h LEU 116 N 0.82 0.55 -0.66 1.64 5.85 -0.96 -0.55 115.31 122.01 2x93 h LEU 116 Ca 0.20 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.80 2x93 h LEU 116 Cb 0.18 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 2x93 h LEU 116 CO -0.02 0.56 0.40 -0.07 -0.34 0.00 0.00 178.44 178.97 2x93 h LEU 117 N 0.51 0.65 -0.92 2.25 3.38 -1.11 0.82 115.31 120.88 2x93 h LEU 117 Ca 0.13 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 2x93 h LEU 117 Cb 0.17 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2x93 h LEU 117 CO -0.01 0.45 0.14 0.44 0.09 0.00 0.00 178.44 179.54 2x93 h ASP 118 N 0.78 0.88 -0.27 -0.43 3.45 -1.12 -1.60 116.42 118.11 2x93 h ASP 118 Ca 0.27 -0.17 -0.05 0.00 0.43 0.00 0.00 57.03 57.51 2x93 h ASP 118 Cb 0.05 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.58 2x93 h ASP 118 CO -0.12 0.86 -0.03 0.74 -1.57 0.00 0.00 179.24 179.12 2x93 h THR 119 N 0.90 1.27 -0.63 0.35 2.02 -0.43 -1.85 112.91 114.53 2x93 h THR 119 Ca 0.19 -1.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.33 2x93 h THR 119 Cb 0.33 1.38 -0.03 0.00 -1.74 0.00 0.00 68.15 68.09 2x93 h THR 119 CO 0.00 0.32 0.23 -0.07 0.37 0.00 0.00 175.52 176.37 2x93 h LEU 120 N 0.26 0.89 -0.76 2.58 3.38 -0.73 -2.23 115.31 118.70 2x93 h LEU 120 Ca 0.07 -0.19 -0.13 0.00 0.09 0.00 0.00 57.88 57.73 2x93 h LEU 120 Cb 0.48 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2x93 h LEU 120 CO 0.02 0.83 -0.50 0.77 0.09 0.00 0.00 178.44 179.65 2x93 h SER 121 N 0.89 0.33 -0.63 -0.43 4.64 -1.30 -1.91 113.55 115.14 2x93 h SER 121 Ca 0.21 -0.16 0.01 0.00 -0.47 0.00 0.00 61.79 61.37 2x93 h SER 121 Cb 0.24 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 62.20 2x93 h SER 121 CO -0.01 0.78 0.41 0.00 -0.87 0.00 0.00 176.83 177.14 2x93 h ALA 122 N 1.23 0.80 -0.08 5.18 0.00 -1.11 -0.50 119.26 124.79 2x93 h ALA 122 Ca 0.01 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2x93 h ALA 122 Cb 0.97 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 2x93 h ALA 122 CO 0.08 0.22 -0.10 0.52 0.00 0.00 0.00 179.25 179.97 2x93 h MET 123 N 0.84 0.20 -0.64 0.00 2.07 -1.29 -2.07 114.93 114.04 2x93 h MET 123 Ca 0.23 -0.12 -0.07 0.00 -2.07 0.00 0.00 59.70 57.67 2x93 h MET 123 Cb -0.09 0.01 -0.03 0.00 -1.87 0.00 0.00 31.60 29.63 2x93 h MET 123 CO -0.06 0.66 0.12 1.49 1.07 0.00 0.00 176.91 180.19 2x93 h GLU 124 N -0.24 1.05 -0.37 1.72 4.81 -1.32 -1.75 114.58 118.48 2x93 h GLU 124 Ca 0.01 -0.27 -0.12 0.00 -0.13 0.00 0.00 59.36 58.84 2x93 h GLU 124 Cb 0.63 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 2x93 h GLU 124 CO 0.02 0.97 -0.27 0.66 -0.73 0.00 0.00 179.01 179.66 2x93 h SER 125 N 0.96 0.79 -0.12 1.04 4.64 -1.16 -1.15 113.55 118.55 2x93 h SER 125 Ca 0.20 -0.30 0.03 0.00 -0.47 0.00 0.00 61.79 61.24 2x93 h SER 125 Cb 0.42 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 62.26 2x93 h SER 125 CO 0.01 1.02 -0.05 -1.13 -0.87 0.00 0.00 176.83 175.81 2x93 h ASN 126 N 0.66 -0.16 -0.36 4.97 -0.73 -1.18 -0.40 115.58 118.37 2x93 h ASN 126 Ca 0.08 0.04 0.05 0.00 1.87 0.00 0.00 56.30 58.34 2x93 h ASN 126 Cb 0.79 0.10 -0.04 0.00 0.27 0.00 0.00 38.32 39.43 2x93 h ASN 126 CO 0.07 -0.06 0.10 0.15 -0.37 0.00 0.00 177.43 177.31 2x93 h PHE 127 N -0.03 0.17 0.00 0.67 3.57 -1.14 -2.59 116.94 117.59 2x93 h PHE 127 Ca 0.06 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.54 2x93 h PHE 127 Cb 0.12 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 2x93 h PHE 127 CO -0.18 0.05 -0.23 0.00 -2.23 0.00 0.00 178.31 175.72 2x93 h ALA 128 N 1.25 1.18 -0.25 2.41 0.00 -0.93 -3.04 119.26 119.88 2x93 h ALA 128 Ca 0.17 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2x93 h ALA 128 Cb 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2x93 h ALA 128 CO -0.20 0.29 0.00 1.63 0.00 0.00 0.00 179.25 180.97 2x93 n LYS 129 N -3.64 2.23 -1.79 0.00 5.02 -0.18 -4.72 118.16 115.08 2x93 n LYS 129 Ca -0.01 -1.84 -0.42 0.00 -2.02 0.00 0.00 58.31 54.02 2x93 n LYS 129 Cb 0.36 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.87 2x93 n LYS 129 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2x93 s VAL 130 N -1.68 2.56 -0.01 -0.18 1.01 -1.06 -5.00 120.40 116.03 2x93 s VAL 130 Ca 0.35 0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.54 2x93 s VAL 130 Cb 0.21 -3.12 -0.00 0.00 0.00 0.00 0.00 36.38 33.47 2x93 s VAL 130 CO 0.30 0.00 -0.09 -0.54 0.00 0.00 0.00 175.10 174.78 2x93 s LYS 131 N 2.26 0.77 0.27 2.72 -0.14 -1.26 -4.29 119.74 120.08 2x93 s LYS 131 Ca 0.77 -0.31 0.08 0.00 -1.36 0.00 0.00 55.97 55.15 2x93 s LYS 131 Cb -0.45 -0.74 -0.05 0.00 -1.68 0.00 0.00 37.83 34.90 2x93 s LYS 131 CO 0.34 0.17 -0.11 0.14 -0.76 0.00 0.00 175.35 175.13 2x93 s VAL 132 N -0.11 1.91 0.20 3.17 -7.23 0.03 -4.90 120.40 113.48 2x93 s VAL 132 Ca 0.02 -2.21 -0.19 0.00 -1.81 0.00 0.00 61.98 57.79 2x93 s VAL 132 Cb -0.05 -2.34 -0.08 0.00 0.56 0.00 0.00 36.38 34.48 2x93 s VAL 132 CO -0.00 -0.39 0.69 0.00 -0.31 0.00 0.00 175.10 175.09 2x93 n ASP 134 N 0.80 3.54 -0.05 0.00 4.64 0.38 -4.90 116.55 120.96 2x93 n ASP 134 Ca -0.03 1.17 0.06 0.00 -1.38 0.00 0.00 54.79 54.60 2x93 n ASP 134 Cb 0.51 -1.56 0.42 0.00 -1.04 0.00 0.00 41.12 39.45 2x93 n ASP 134 CO 0.00 0.00 0.00 0.22 -0.82 0.00 0.00 177.20 176.60 2x93 h TYR 135 N 4.09 0.55 0.00 -0.67 3.20 -1.96 -2.74 116.97 119.44 2x93 h TYR 135 Ca -0.47 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.41 2x93 h TYR 135 Cb 1.24 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.33 2x93 h TYR 135 CO 0.56 0.32 -0.88 1.63 -1.64 0.00 0.00 178.16 178.15 2x93 n LYS 136 N -4.47 0.05 -3.34 1.82 5.02 -1.26 -4.82 118.16 111.16 2x93 n LYS 136 Ca 0.06 -0.01 -0.13 0.00 -2.02 0.00 0.00 58.31 56.21 2x93 n LYS 136 Cb 0.14 -1.51 -0.07 0.00 -0.02 0.00 0.00 35.03 33.57 2x93 n LYS 136 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2x93 s ASP 137 N -3.15 0.85 0.00 4.39 -1.08 -1.03 -5.01 116.67 111.64 2x93 s ASP 137 Ca 0.08 -0.94 0.16 0.00 -0.52 0.00 0.00 52.55 51.33 2x93 s ASP 137 Cb 0.16 0.82 0.93 0.00 -1.46 0.00 0.00 42.92 43.37 2x93 s ASP 137 CO 0.81 -0.32 1.35 -1.54 0.52 0.00 0.00 175.17 176.00 2x93 n SER 138 N 4.87 0.00 0.07 -0.34 3.41 -1.25 -2.01 113.62 118.38 2x93 n SER 138 Ca 0.05 -0.64 -0.21 0.00 -0.26 0.00 0.00 58.87 57.81 2x93 n SER 138 Cb 0.48 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.28 2x93 n SER 138 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2x93 h THR 139 N 0.00 1.00 -2.93 6.66 2.02 -1.95 -3.44 112.91 114.27 2x93 h THR 139 Ca 0.00 -2.60 -0.58 0.00 0.77 0.00 0.00 66.41 64.00 2x93 h THR 139 Cb 0.00 2.76 -0.10 0.00 -1.74 0.00 0.00 68.15 69.07 2x93 h THR 139 CO 0.00 0.84 0.80 -0.75 0.37 0.00 0.00 175.52 176.78 2x93 s LYS 140 N -2.59 3.33 -0.29 6.66 2.20 -0.85 -4.89 119.74 123.30 2x93 s LYS 140 Ca -0.14 -0.17 0.11 0.00 -0.36 0.00 0.00 55.97 55.41 2x93 s LYS 140 Cb 0.06 -4.09 0.47 0.00 -1.51 0.00 0.00 37.83 32.75 2x93 s LYS 140 CO 0.86 -1.74 1.16 0.00 -0.36 0.00 0.00 175.35 175.26 2x93 n ASP 142 N -0.65 1.77 -4.62 0.00 5.75 -1.23 -4.39 116.55 113.17 2x93 n ASP 142 Ca 0.34 -3.67 -0.42 0.00 -0.01 0.00 0.00 54.79 51.03 2x93 n ASP 142 Cb 0.91 -0.50 -0.04 0.00 -1.03 0.00 0.00 41.12 40.45 2x93 n ASP 142 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2x93 s LEU 143 N -3.00 4.05 0.33 -2.12 1.02 -0.99 -4.89 118.68 113.08 2x93 s LEU 143 Ca 0.36 0.72 0.01 0.00 0.02 0.00 0.00 54.13 55.24 2x93 s LEU 143 Cb 0.35 -3.19 -0.03 0.00 0.02 0.00 0.00 46.19 43.34 2x93 s LEU 143 CO -0.06 -0.70 0.53 0.00 0.02 0.00 0.00 176.35 176.14 2x93 s ALA 144 N 3.16 3.72 0.15 4.21 0.00 -1.26 -0.79 121.76 130.95 2x93 s ALA 144 Ca 0.36 -0.92 -0.18 0.00 0.00 0.00 0.00 51.96 51.22 2x93 s ALA 144 Cb -0.13 -2.08 0.05 0.00 0.00 0.00 0.00 23.12 20.96 2x93 s ALA 144 CO 0.14 0.03 1.69 1.25 0.00 0.00 0.00 175.76 178.87 2x93 h LEU 145 N 0.88 -0.24 -8.29 0.00 5.85 -1.95 -0.30 115.31 111.25 2x93 h LEU 145 Ca -0.50 0.09 -0.68 0.00 0.84 0.00 0.00 57.88 57.63 2x93 h LEU 145 Cb 1.22 0.18 -0.28 0.00 0.37 0.00 0.00 40.66 42.15 2x93 h LEU 145 CO 0.62 -0.08 -0.63 -0.62 -0.34 0.00 0.00 178.44 177.39 2x93 s ASP 146 N -5.23 5.13 -0.00 1.25 -1.08 -1.26 -1.37 116.67 114.11 2x93 s ASP 146 Ca -0.14 -0.89 0.19 0.00 -0.52 0.00 0.00 52.55 51.19 2x93 s ASP 146 Cb 0.13 -1.86 -0.22 0.00 -1.46 0.00 0.00 42.92 39.51 2x93 s ASP 146 CO 0.70 -0.24 0.76 -0.81 0.52 0.00 0.00 175.17 176.11 2x93 n PRO 147 N 4.83 0.65 0.24 4.34 -0.04 -1.26 -4.99 135.00 138.76 2x93 n PRO 147 Ca -0.14 -0.02 -0.15 0.00 -0.04 0.00 0.00 63.50 63.14 2x93 n PRO 147 Cb 0.47 -1.42 -0.08 0.00 -0.04 0.00 0.00 33.50 32.43 2x93 n PRO 147 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2x93 h GLU 148 N 0.00 -0.53 -0.21 0.54 3.07 -1.41 -1.47 114.58 114.57 2x93 h GLU 148 Ca 0.00 0.04 -0.12 0.00 -0.50 0.00 0.00 59.36 58.77 2x93 h GLU 148 Cb 0.51 0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 28.54 2x93 h GLU 148 CO 0.00 -0.33 -0.35 0.82 -1.40 0.00 0.00 179.01 177.75 2x93 h ILE 149 N -0.59 1.33 -0.41 3.13 2.04 -0.99 -2.96 117.51 119.06 2x93 h ILE 149 Ca -0.06 -1.56 -0.00 0.00 1.00 0.00 0.00 64.86 64.24 2x93 h ILE 149 Cb 0.44 1.82 -0.02 0.00 -0.74 0.00 0.00 36.82 38.32 2x93 h ILE 149 CO 0.09 0.49 0.25 -0.33 0.00 0.00 0.00 178.15 178.65 2x93 h GLU 150 N 0.29 0.55 -0.44 2.37 5.08 -1.23 -1.36 114.58 119.85 2x93 h GLU 150 Ca 0.02 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2x93 h GLU 150 Cb 0.94 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 2x93 h GLU 150 CO 0.08 0.39 0.27 1.49 -1.00 0.00 0.00 179.01 180.24 2x93 h GLU 151 N 0.57 0.59 -0.13 2.33 4.81 -1.15 -1.68 114.58 119.91 2x93 h GLU 151 Ca 0.15 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 2x93 h GLU 151 Cb -0.02 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.23 2x93 h GLU 151 CO -0.03 0.42 0.00 0.28 -0.73 0.00 0.00 179.01 178.96 2x93 h VAL 152 N 0.59 1.25 -0.75 0.32 2.07 -1.21 -1.40 116.25 117.11 2x93 h VAL 152 Ca 0.16 -0.80 0.05 0.00 0.82 0.00 0.00 66.70 66.92 2x93 h VAL 152 Cb -0.02 1.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 2x93 h VAL 152 CO -0.03 0.23 0.49 0.40 0.02 0.00 0.00 177.57 178.68 2x93 h ILE 153 N -0.03 1.08 0.00 4.57 1.08 -1.23 0.17 117.51 123.15 2x93 h ILE 153 Ca 0.04 -0.30 -0.17 0.00 -0.39 0.00 0.00 64.86 64.04 2x93 h ILE 153 Cb 0.35 0.14 -0.03 0.00 -3.07 0.00 0.00 36.82 34.22 2x93 h ILE 153 CO 0.01 0.16 -0.87 0.77 -0.69 0.00 0.00 178.15 177.52 2x93 h SER 154 N 0.86 0.00 0.00 1.72 4.64 -1.22 -3.37 113.55 116.18 2x93 h SER 154 Ca 0.31 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.37 2x93 h SER 154 Cb 0.13 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.18 2x93 h SER 154 CO -0.10 0.78 -1.96 0.29 -0.87 0.00 0.00 176.83 174.97 2x93 n LYS 155 N -3.26 0.45 -2.01 4.77 5.02 -0.54 -4.80 118.16 117.80 2x93 n LYS 155 Ca -0.01 0.10 -0.41 0.00 -2.02 0.00 0.00 58.31 55.97 2x93 n LYS 155 Cb 0.86 -1.34 -0.02 0.00 -0.02 0.00 0.00 35.03 34.52 2x93 n LYS 155 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2x93 s SER 156 N -5.62 6.63 -0.20 4.39 0.15 0.54 -4.93 113.70 114.66 2x93 s SER 156 Ca -0.22 2.78 0.13 0.00 0.70 0.00 0.00 55.95 59.34 2x93 s SER 156 Cb 0.06 -2.65 0.41 0.00 -1.71 0.00 0.00 66.02 62.13 2x93 s SER 156 CO 0.39 -0.66 1.24 0.54 1.20 0.00 0.00 173.24 175.95 2x93 n ARG 157 N 1.06 1.60 -3.35 5.44 5.12 -1.26 -4.92 116.66 120.35 2x93 n ARG 157 Ca 0.02 -3.10 -0.45 0.00 -1.93 0.00 0.00 57.85 52.39 2x93 n ARG 157 Cb 0.41 -1.63 -0.07 0.00 -1.16 0.00 0.00 32.46 30.01 2x93 n ARG 157 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2x93 s ASP 158 N -3.01 6.16 0.48 0.55 -1.08 -1.26 -4.97 116.67 113.54 2x93 s ASP 158 Ca 0.38 -1.34 0.13 0.00 -0.52 0.00 0.00 52.55 51.20 2x93 s ASP 158 Cb 0.35 -2.20 1.12 0.00 -1.46 0.00 0.00 42.92 40.73 2x93 s ASP 158 CO -0.03 -0.70 2.12 1.12 0.52 0.00 0.00 175.17 178.19 2x93 h HIS 159 N 8.80 0.18 0.00 -5.34 2.07 -1.97 -0.86 115.15 118.03 2x93 h HIS 159 Ca -0.29 0.00 -0.24 0.00 -2.85 0.00 0.00 60.37 57.00 2x93 h HIS 159 Cb 1.11 -0.06 0.01 0.00 2.57 0.00 0.00 27.41 31.03 2x93 h HIS 159 CO 0.66 0.12 -0.98 0.93 -3.07 0.00 0.00 177.93 175.59 2x93 h GLU 160 N 0.20 0.52 -0.04 5.12 5.08 -1.99 -1.54 114.58 121.93 2x93 h GLU 160 Ca 0.05 -0.56 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 2x93 h GLU 160 Cb -0.02 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 2x93 h GLU 160 CO -0.01 1.19 0.02 1.49 -1.00 0.00 0.00 179.01 180.70 2x93 h GLU 161 N 0.29 0.05 -0.66 2.33 4.81 -1.83 -1.26 114.58 118.31 2x93 h GLU 161 Ca -0.10 -0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.19 2x93 h GLU 161 Cb 1.62 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.94 2x93 h GLU 161 CO 0.18 0.06 0.36 -0.07 -0.73 0.00 0.00 179.01 178.81 2x93 h LEU 162 N 0.03 0.53 -1.02 1.64 3.38 -1.19 -2.12 115.31 116.56 2x93 h LEU 162 Ca 0.01 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 2x93 h LEU 162 Cb 0.02 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 2x93 h LEU 162 CO -0.00 0.34 0.17 0.00 0.09 0.00 0.00 178.44 179.03 2x93 h ALA 163 N 1.35 1.21 0.08 1.53 0.00 -1.10 -1.52 119.26 120.81 2x93 h ALA 163 Ca 0.30 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2x93 h ALA 163 Cb 0.20 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2x93 h ALA 163 CO -0.19 0.55 -0.04 -0.92 0.00 0.00 0.00 179.25 178.65 2x93 h TYR 164 N 0.84 -0.09 -0.28 0.00 3.20 -0.63 -1.99 116.97 118.02 2x93 h TYR 164 Ca 0.19 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.96 2x93 h TYR 164 Cb 0.27 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 2x93 h TYR 164 CO 0.02 0.02 -0.22 1.88 -1.64 0.00 0.00 178.16 178.21 2x93 h TYR 165 N -0.19 0.58 0.39 -3.82 0.05 -1.25 -1.75 116.97 110.98 2x93 h TYR 165 Ca -0.01 -0.12 -0.01 0.00 0.05 0.00 0.00 58.73 58.64 2x93 h TYR 165 Cb 0.16 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 37.74 2x93 h TYR 165 CO -0.04 0.71 -0.30 2.35 -1.05 0.00 0.00 178.16 179.83 2x93 h TRP 166 N 0.47 -0.80 -0.46 4.88 7.01 -1.21 -1.71 115.95 124.13 2x93 h TRP 166 Ca 0.07 -0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.08 2x93 h TRP 166 Cb 0.65 0.30 -0.02 0.00 -2.10 0.00 0.00 29.16 27.98 2x93 h TRP 166 CO 0.02 -0.44 0.30 -0.09 -2.79 0.00 0.00 178.44 175.44 2x93 h ARG 167 N -0.69 0.59 -0.57 2.65 2.43 -1.19 -1.54 114.38 116.06 2x93 h ARG 167 Ca -0.03 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 2x93 h ARG 167 Cb 0.59 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.98 2x93 h ARG 167 CO -0.00 0.39 0.30 0.93 -1.51 0.00 0.00 179.97 180.07 2x93 h GLU 168 N 0.61 0.81 -0.08 0.20 4.39 -1.28 -1.69 114.58 117.54 2x93 h GLU 168 Ca 0.17 -0.11 -0.04 0.00 0.34 0.00 0.00 59.36 59.73 2x93 h GLU 168 Cb -0.05 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.45 2x93 h GLU 168 CO -0.05 0.64 -0.09 0.35 -1.16 0.00 0.00 179.01 178.70 2x93 h PHE 169 N 0.77 0.24 -0.88 4.33 3.57 -1.10 -2.84 116.94 121.04 2x93 h PHE 169 Ca 0.20 -0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 2x93 h PHE 169 Cb 0.08 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.73 2x93 h PHE 169 CO -0.01 0.64 0.48 1.88 -2.23 0.00 0.00 178.31 179.08 2x93 h TYR 170 N -0.23 1.20 -0.95 0.41 -1.99 -1.27 0.24 116.97 114.39 2x93 h TYR 170 Ca 0.01 -0.03 0.03 0.00 2.00 0.00 0.00 58.73 60.75 2x93 h TYR 170 Cb 0.61 -0.38 -0.06 0.00 2.00 0.00 0.00 36.73 38.90 2x93 h TYR 170 CO 0.09 0.83 0.62 -0.44 -0.00 0.00 0.00 178.16 179.26 2x93 h ASP 171 N 1.22 1.04 0.31 3.88 3.32 -1.34 0.32 116.42 125.16 2x93 h ASP 171 Ca 0.31 -0.01 -0.33 0.00 0.02 0.00 0.00 57.03 57.02 2x93 h ASP 171 Cb 0.02 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 2x93 h ASP 171 CO -0.05 0.71 -1.74 0.11 -1.72 0.00 0.00 179.24 176.55 2x93 h LYS 172 N 1.21 0.25 0.00 3.56 1.57 -1.19 -3.05 116.57 118.92 2x93 h LYS 172 Ca 0.38 -0.43 -0.16 0.00 -1.87 0.00 0.00 60.65 58.57 2x93 h LYS 172 Cb -0.01 0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 2x93 h LYS 172 CO -0.12 1.10 -1.40 0.00 -0.57 0.00 0.00 179.45 178.46 2x93 n ALA 173 N -2.79 1.98 -0.33 3.86 0.00 0.81 -4.37 120.51 119.68 2x93 n ALA 173 Ca -0.23 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.69 2x93 n ALA 173 Cb 1.05 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 19.54 2x93 n ALA 173 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x93 n GLY 174 N 1.38 -0.44 0.36 0.00 0.00 0.07 -3.49 105.19 103.07 2x93 n GLY 174 Ca -0.09 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.99 2x93 n GLY 174 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2x93 h THR 175 N 0.00 0.93 -0.13 2.61 2.02 -0.59 -2.46 112.91 115.28 2x93 h THR 175 Ca 0.00 -0.34 0.04 0.00 0.77 0.00 0.00 66.41 66.88 2x93 h THR 175 Cb 0.00 -0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.25 2x93 h THR 175 CO 0.00 0.18 0.23 0.00 0.37 0.00 0.00 175.52 176.30 2x93 h ALA 176 N 1.53 1.59 -0.24 6.16 0.00 -1.73 -2.64 119.26 123.93 2x93 h ALA 176 Ca 0.49 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.35 2x93 h ALA 176 Cb 0.46 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2x93 h ALA 176 CO -0.26 -0.30 -0.02 1.33 0.00 0.00 0.00 179.25 180.00 2x93 n VAL 177 N -3.45 2.29 -0.05 0.00 0.24 -0.93 -4.76 118.33 111.66 2x93 n VAL 177 Ca 0.01 -2.17 -0.08 0.00 -2.04 0.00 0.00 64.34 60.06 2x93 n VAL 177 Cb 0.33 -0.27 -0.02 0.00 -1.47 0.00 0.00 33.84 32.41 2x93 n VAL 177 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 2x93 h ARG 178 N 1.30 -0.03 -0.57 7.34 2.43 -1.60 -0.07 114.38 123.18 2x93 h ARG 178 Ca 0.05 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.17 2x93 h ARG 178 Cb 1.42 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.95 2x93 h ARG 178 CO 0.22 -0.02 0.11 0.66 -1.51 0.00 0.00 179.97 179.43 2x93 h SER 179 N -0.04 0.84 -0.39 -3.80 4.64 -1.86 -0.34 113.55 112.60 2x93 h SER 179 Ca 0.12 -0.17 -0.05 0.00 -0.47 0.00 0.00 61.79 61.22 2x93 h SER 179 Cb 0.22 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 2x93 h SER 179 CO -0.26 0.84 0.05 1.56 -0.87 0.00 0.00 176.83 178.14 2x93 h GLN 180 N 0.85 0.66 -0.71 4.77 7.50 -1.84 -2.58 115.11 123.76 2x93 h GLN 180 Ca 0.18 -0.18 -0.00 0.00 0.50 0.00 0.00 58.65 59.14 2x93 h GLN 180 Cb 0.35 -0.07 -0.03 0.00 0.05 0.00 0.00 27.48 27.77 2x93 h GLN 180 CO 0.00 0.72 0.42 0.35 -1.50 0.00 0.00 178.83 178.83 2x93 h PHE 181 N 0.50 0.93 -0.65 2.96 3.57 -0.56 -0.89 116.94 122.81 2x93 h PHE 181 Ca 0.12 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.67 2x93 h PHE 181 Cb 0.39 -0.31 -0.06 0.00 2.79 0.00 0.00 35.95 38.77 2x93 h PHE 181 CO 0.03 0.63 0.35 0.93 -2.23 0.00 0.00 178.31 178.02 2x93 h GLU 182 N 0.96 0.63 -0.31 1.11 5.08 -0.98 -0.68 114.58 120.39 2x93 h GLU 182 Ca 0.25 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.43 2x93 h GLU 182 Cb -0.03 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 2x93 h GLU 182 CO -0.05 0.42 -0.39 -0.09 -1.00 0.00 0.00 179.01 177.90 2x93 h ARG 183 N 0.65 0.73 -0.49 2.33 9.65 -1.15 -2.59 114.38 123.50 2x93 h ARG 183 Ca 0.29 -0.37 0.03 0.00 -1.10 0.00 0.00 59.98 58.83 2x93 h ARG 183 Cb 0.20 0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 28.75 2x93 h ARG 183 CO -0.19 0.99 0.27 -0.92 2.80 0.00 0.00 179.97 182.92 2x93 h TYR 184 N 0.60 0.51 -0.61 2.20 3.20 -0.71 -0.97 116.97 121.18 2x93 h TYR 184 Ca 0.05 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.96 2x93 h TYR 184 Cb 0.93 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 39.01 2x93 h TYR 184 CO 0.05 0.27 0.38 0.28 -1.64 0.00 0.00 178.16 177.50 2x93 h VAL 185 N 0.54 1.10 -0.39 1.81 2.07 -1.03 0.12 116.25 120.48 2x93 h VAL 185 Ca 0.20 -0.26 0.01 0.00 0.82 0.00 0.00 66.70 67.47 2x93 h VAL 185 Cb 0.06 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 2x93 h VAL 185 CO -0.11 0.14 0.25 -0.33 0.02 0.00 0.00 177.57 177.53 2x93 h GLU 186 N 0.76 0.49 -0.05 1.57 5.08 -1.11 -1.51 114.58 119.82 2x93 h GLU 186 Ca 0.24 -0.03 -0.21 0.00 -1.00 0.00 0.00 59.36 58.35 2x93 h GLU 186 Cb -0.02 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.12 2x93 h GLU 186 CO -0.08 0.32 -0.85 -0.07 -1.00 0.00 0.00 179.01 177.33 2x93 h LEU 187 N 0.51 0.59 -0.39 1.33 3.38 -0.94 -1.51 115.31 118.28 2x93 h LEU 187 Ca 0.15 -0.43 0.03 0.00 0.09 0.00 0.00 57.88 57.71 2x93 h LEU 187 Cb -0.04 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 2x93 h LEU 187 CO -0.04 1.21 0.19 -1.13 0.09 0.00 0.00 178.44 178.76 2x93 h ASN 188 N 0.30 0.28 -0.20 -0.43 -0.73 -0.70 -1.04 115.58 113.06 2x93 h ASN 188 Ca -0.06 0.02 -0.00 0.00 1.87 0.00 0.00 56.30 58.13 2x93 h ASN 188 Cb 1.47 -0.03 -0.01 0.00 0.27 0.00 0.00 38.32 40.02 2x93 h ASN 188 CO 0.15 0.21 0.12 0.74 -0.37 0.00 0.00 177.43 178.28 2x93 h THR 189 N 0.40 1.08 -0.74 -3.57 2.02 -1.19 -1.22 112.91 109.68 2x93 h THR 189 Ca 0.16 -0.19 0.06 0.00 0.77 0.00 0.00 66.41 67.21 2x93 h THR 189 Cb 0.07 0.85 -0.06 0.00 -1.74 0.00 0.00 68.15 67.28 2x93 h THR 189 CO -0.11 0.07 0.44 0.50 0.37 0.00 0.00 175.52 176.79 2x93 h LYS 190 N 0.24 0.79 -0.27 6.66 3.64 -1.11 -1.59 116.57 124.94 2x93 h LYS 190 Ca 0.07 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 2x93 h LYS 190 Cb 0.02 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 2x93 h LYS 190 CO -0.01 0.53 0.10 0.00 -2.27 0.00 0.00 179.45 177.79 2x93 h ALA 191 N 1.36 0.35 -0.54 5.00 0.00 -0.98 -1.80 119.26 122.65 2x93 h ALA 191 Ca 0.33 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.16 2x93 h ALA 191 Cb 0.16 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 2x93 h ALA 191 CO -0.17 -0.04 0.27 0.00 0.00 0.00 0.00 179.25 179.31 2x93 h ALA 192 N 0.93 0.69 -0.11 0.00 0.00 -0.87 -2.36 119.26 117.55 2x93 h ALA 192 Ca 0.09 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 2x93 h ALA 192 Cb 0.20 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2x93 h ALA 192 CO -0.01 -0.08 -0.37 0.87 0.00 0.00 0.00 179.25 179.66 2x93 h LYS 193 N 0.52 0.23 0.00 0.00 1.57 -1.19 -0.92 116.57 116.77 2x93 h LYS 193 Ca 0.24 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 2x93 h LYS 193 Cb 0.16 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.46 2x93 h LYS 193 CO -0.17 0.57 -0.11 -0.07 -0.57 0.00 0.00 179.45 179.10 2x93 h LEU 194 N 0.19 0.00 -1.69 2.94 3.38 -0.90 -0.95 115.31 118.29 2x93 h LEU 194 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2x93 h LEU 194 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2x93 h LEU 194 CO 0.06 0.11 0.00 0.59 0.09 0.00 0.00 178.44 179.29 2x93 n ASN 195 N -3.45 2.51 -1.70 -0.43 3.02 -0.62 -4.95 115.26 109.63 2x93 n ASN 195 Ca -0.01 -1.88 -0.18 0.00 -0.03 0.00 0.00 54.58 52.48 2x93 n ASN 195 Cb 0.26 -0.21 -0.04 0.00 -0.61 0.00 0.00 39.78 39.18 2x93 n ASN 195 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2x93 n ASN 196 N 0.87 -5.15 -4.89 6.41 3.02 -0.36 -5.03 115.26 110.13 2x93 n ASN 196 Ca 0.17 0.20 -0.29 0.00 -0.03 0.00 0.00 54.58 54.63 2x93 n ASN 196 Cb 0.44 -4.22 -0.03 0.00 -0.61 0.00 0.00 39.78 35.37 2x93 n ASN 196 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2x93 s PHE 197 N -2.78 3.49 0.22 3.10 0.08 -0.45 -4.98 117.98 116.66 2x93 s PHE 197 Ca 0.00 0.86 -0.05 0.00 0.12 0.00 0.00 56.93 57.86 2x93 s PHE 197 Cb 0.00 -2.30 0.20 0.00 -0.57 0.00 0.00 43.02 40.35 2x93 s PHE 197 CO 0.00 -0.05 1.69 1.15 -0.10 0.00 0.00 175.22 177.92 2x93 h THR 198 N 1.01 1.26 -2.81 0.64 2.02 -1.95 -3.24 112.91 109.84 2x93 h THR 198 Ca -0.47 -1.12 0.06 0.00 0.77 0.00 0.00 66.41 65.65 2x93 h THR 198 Cb 1.19 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 68.46 2x93 h THR 198 CO 0.64 0.40 0.38 -0.94 0.37 0.00 0.00 175.52 176.37 2x93 s SER 199 N -6.63 -0.02 0.63 4.18 1.04 -1.26 -4.74 113.70 106.90 2x93 s SER 199 Ca -0.10 -0.92 0.40 0.00 0.48 0.00 0.00 55.95 55.81 2x93 s SER 199 Cb 0.14 0.71 2.11 0.00 0.10 0.00 0.00 66.02 69.08 2x93 s SER 199 CO 0.84 -1.40 2.27 1.23 0.98 0.00 0.00 173.24 177.15 2x93 h GLY 200 N 2.00 0.00 0.85 7.32 0.00 -1.81 -2.34 103.07 109.09 2x93 h GLY 200 Ca -0.29 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 2x93 h GLY 200 CO 0.37 0.00 0.05 0.00 0.00 0.00 0.00 176.54 176.96 2x93 h ALA 201 N 1.99 0.20 -0.19 3.60 0.00 -1.90 -1.59 119.26 121.38 2x93 h ALA 201 Ca -0.00 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 2x93 h ALA 201 Cb 0.13 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2x93 h ALA 201 CO 0.00 -0.18 -0.37 0.93 0.00 0.00 0.00 179.25 179.64 2x93 h GLU 202 N 0.07 0.40 -0.59 0.00 3.07 -1.84 -0.66 114.58 115.03 2x93 h GLU 202 Ca 0.05 -0.19 -0.03 0.00 -0.50 0.00 0.00 59.36 58.70 2x93 h GLU 202 Cb 0.23 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.10 2x93 h GLU 202 CO -0.00 0.72 0.26 0.00 -1.40 0.00 0.00 179.01 178.58 2x93 h ALA 203 N 1.27 0.77 -0.21 3.43 0.00 -1.40 -1.56 119.26 121.55 2x93 h ALA 203 Ca 0.04 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2x93 h ALA 203 Cb 0.81 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2x93 h ALA 203 CO 0.06 0.36 0.01 -1.49 0.00 0.00 0.00 179.25 178.20 2x93 h TRP 204 N 0.81 0.39 0.00 0.00 6.55 -1.00 -3.12 115.95 119.59 2x93 h TRP 204 Ca 0.20 -0.06 -0.02 0.00 0.95 0.00 0.00 58.89 59.96 2x93 h TRP 204 Cb 0.17 -0.10 -0.00 0.00 -0.86 0.00 0.00 29.16 28.36 2x93 h TRP 204 CO 0.01 0.53 -0.08 -0.07 -1.05 0.00 0.00 178.44 177.78 2x93 h LEU 205 N 0.14 0.00 -2.05 -4.49 3.38 -1.00 -2.55 115.31 108.73 2x93 h LEU 205 Ca 0.06 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.06 2x93 h LEU 205 Cb 0.36 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 2x93 h LEU 205 CO 0.01 0.08 0.07 -0.78 0.09 0.00 0.00 178.44 177.90 2x93 h ASP 206 N 0.00 0.00 0.11 -0.43 3.58 -1.21 -1.68 116.42 116.79 2x93 h ASP 206 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2x93 h ASP 206 Cb 0.22 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.27 2x93 h ASP 206 CO 0.01 0.00 0.00 -0.33 -2.88 0.00 0.00 179.24 176.04 2x93 h GLU 207 N 0.00 0.00 -0.02 0.28 4.39 -1.60 -2.18 114.58 115.44 2x93 h GLU 207 Ca 0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.74 2x93 h GLU 207 Cb 0.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 2x93 h GLU 207 CO -0.00 0.00 -0.14 0.66 -1.16 0.00 0.00 179.01 178.37 2x93 n TYR 208 N -2.98 0.00 -4.18 4.33 4.01 -0.63 -4.62 117.16 113.09 2x93 n TYR 208 Ca -0.02 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.41 2x93 n TYR 208 Cb 0.09 -0.02 -0.06 0.00 -0.31 0.00 0.00 39.34 39.04 2x93 n TYR 208 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2x93 n GLU 209 N 0.51 -1.54 -3.22 -0.72 1.02 -0.82 -4.92 120.64 110.94 2x93 n GLU 209 Ca 0.14 0.19 0.03 0.00 -0.02 0.00 0.00 57.16 57.50 2x93 n GLU 209 Cb 0.48 -3.76 -0.01 0.00 -0.02 0.00 0.00 31.44 28.12 2x93 n GLU 209 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2x93 s ASP 210 N -4.28 -1.28 0.00 1.62 3.68 -1.26 -5.01 116.67 110.13 2x93 s ASP 210 Ca 0.06 0.93 0.20 0.00 2.13 0.00 0.00 52.55 55.87 2x93 s ASP 210 Cb -0.03 2.13 0.97 0.00 -1.45 0.00 0.00 42.92 44.53 2x93 s ASP 210 CO 0.96 -0.24 1.62 -0.90 0.13 0.00 0.00 175.17 176.74 2x93 n ASP 211 N 5.43 0.00 -0.99 -0.34 5.75 -1.26 -2.10 116.55 123.04 2x93 n ASP 211 Ca -0.03 0.10 0.08 0.00 -0.01 0.00 0.00 54.79 54.93 2x93 n ASP 211 Cb 0.51 -0.33 0.25 0.00 -1.03 0.00 0.00 41.12 40.52 2x93 n ASP 211 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2x93 n THR 212 N -1.33 1.87 -0.29 2.12 -2.24 -1.26 -4.77 114.28 108.38 2x93 n THR 212 Ca 0.08 -1.49 -0.05 0.00 -2.27 0.00 0.00 64.05 60.33 2x93 n THR 212 Cb 0.17 0.03 0.07 0.00 -2.10 0.00 0.00 70.33 68.49 2x93 n THR 212 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2x93 h PHE 213 N 2.36 1.14 -0.10 4.78 3.57 -1.83 -1.75 116.94 125.11 2x93 h PHE 213 Ca 0.00 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.45 2x93 h PHE 213 Cb 1.27 -0.35 -0.00 0.00 2.79 0.00 0.00 35.95 39.65 2x93 h PHE 213 CO 0.50 0.82 0.06 0.93 -2.23 0.00 0.00 178.31 178.39 2x93 h GLU 214 N 1.12 0.13 -0.73 1.11 5.08 -1.86 -2.42 114.58 117.02 2x93 h GLU 214 Ca 0.28 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.60 2x93 h GLU 214 Cb 0.10 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 2x93 h GLU 214 CO -0.04 0.14 0.36 0.37 -1.00 0.00 0.00 179.01 178.84 2x93 h GLN 215 N 0.09 1.03 -0.53 2.33 5.75 -1.86 -0.98 115.11 120.94 2x93 h GLN 215 Ca 0.03 -0.13 0.03 0.00 -0.15 0.00 0.00 58.65 58.43 2x93 h GLN 215 Cb 0.04 -0.20 -0.04 0.00 1.07 0.00 0.00 27.48 28.36 2x93 h GLN 215 CO -0.01 0.78 0.31 1.96 -2.65 0.00 0.00 178.83 179.22 2x93 h GLN 216 N 1.03 0.59 -0.51 1.69 4.20 -1.16 -0.35 115.11 120.59 2x93 h GLN 216 Ca 0.25 -0.04 -0.12 0.00 0.06 0.00 0.00 58.65 58.81 2x93 h GLN 216 Cb 0.08 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 2x93 h GLN 216 CO -0.04 0.39 -0.15 -0.07 -0.67 0.00 0.00 178.83 178.29 2x93 h LEU 217 N 0.61 1.02 -0.55 1.46 3.38 -0.99 -1.51 115.31 118.72 2x93 h LEU 217 Ca 0.22 -0.37 0.03 0.00 0.09 0.00 0.00 57.88 57.85 2x93 h LEU 217 Cb 0.05 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 2x93 h LEU 217 CO -0.11 1.15 0.32 -0.33 0.09 0.00 0.00 178.44 179.56 2x93 h GLU 218 N 0.87 0.60 -0.23 1.13 4.39 -0.88 0.14 114.58 120.61 2x93 h GLU 218 Ca 0.13 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 2x93 h GLU 218 Cb 0.72 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 2x93 h GLU 218 CO 0.06 0.40 0.11 -0.44 -1.16 0.00 0.00 179.01 177.98 2x93 h ASP 219 N 0.62 0.29 -0.22 1.42 3.32 -0.88 -0.86 116.42 120.11 2x93 h ASP 219 Ca 0.23 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 2x93 h ASP 219 Cb 0.07 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2x93 h ASP 219 CO -0.12 0.32 0.05 0.40 -1.72 0.00 0.00 179.24 178.17 2x93 h ILE 220 N 0.24 1.21 -0.76 0.35 2.04 -1.11 -2.85 117.51 116.63 2x93 h ILE 220 Ca 0.08 -0.68 0.05 0.00 1.00 0.00 0.00 64.86 65.31 2x93 h ILE 220 Cb 0.11 1.25 -0.05 0.00 -0.74 0.00 0.00 36.82 37.38 2x93 h ILE 220 CO -0.01 0.21 0.46 0.15 0.00 0.00 0.00 178.15 178.97 2x93 h PHE 221 N 0.17 0.86 -0.52 1.37 3.57 -0.65 -2.02 116.94 119.72 2x93 h PHE 221 Ca 0.07 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.63 2x93 h PHE 221 Cb 0.28 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 2x93 h PHE 221 CO 0.01 0.45 0.35 0.00 -2.23 0.00 0.00 178.31 176.89 2x93 h ALA 222 N 1.35 1.77 -0.23 2.41 0.00 -1.06 0.90 119.26 124.39 2x93 h ALA 222 Ca 0.32 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.07 2x93 h ALA 222 Cb 0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2x93 h ALA 222 CO -0.15 0.17 -0.45 -0.44 0.00 0.00 0.00 179.25 178.38 2x93 h ASP 223 N 0.58 0.63 0.87 0.00 3.32 -1.14 -3.29 116.42 117.40 2x93 h ASP 223 Ca 0.21 -0.30 -0.09 0.00 0.02 0.00 0.00 57.03 56.87 2x93 h ASP 223 Cb 0.12 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 2x93 h ASP 223 CO -0.06 0.99 -1.19 0.40 -1.72 0.00 0.00 179.24 177.67 2x93 h ILE 224 N 0.47 0.28 -0.76 0.35 1.08 -1.07 -3.40 117.51 114.47 2x93 h ILE 224 Ca 0.03 -1.55 0.16 0.00 -0.39 0.00 0.00 64.86 63.11 2x93 h ILE 224 Cb 0.97 1.81 -0.11 0.00 -3.07 0.00 0.00 36.82 36.42 2x93 h ILE 224 CO 0.09 0.16 0.22 -0.09 -0.69 0.00 0.00 178.15 177.84 2x93 h ARG 225 N 0.00 0.31 -0.95 2.37 2.43 -0.91 -1.64 114.38 115.99 2x93 h ARG 225 Ca -0.09 -0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.14 2x93 h ARG 225 Cb 1.32 -0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 30.73 2x93 h ARG 225 CO 0.03 0.20 0.61 -1.35 -1.51 0.00 0.00 179.97 177.95 2x93 h PRO 226 N 0.32 1.02 -0.70 0.20 0.11 -1.77 -0.83 132.00 130.35 2x93 h PRO 226 Ca 0.43 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.44 2x93 h PRO 226 Cb 0.73 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 31.58 2x93 h PRO 226 CO -0.49 0.67 0.29 1.25 -0.21 0.00 0.00 178.00 179.51 2x93 h LEU 227 N 1.05 0.95 -0.67 2.35 5.85 -1.59 -2.40 115.31 120.85 2x93 h LEU 227 Ca 0.42 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 59.01 2x93 h LEU 227 Cb 0.26 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 2x93 h LEU 227 CO -0.17 0.86 0.42 0.22 -0.34 0.00 0.00 178.44 179.42 2x93 h TYR 228 N 0.99 0.78 -0.92 1.25 3.20 -0.95 -1.76 116.97 119.57 2x93 h TYR 228 Ca 0.23 0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.18 2x93 h TYR 228 Cb 0.19 -0.26 -0.06 0.00 1.54 0.00 0.00 36.73 38.15 2x93 h TYR 228 CO 0.01 0.45 0.60 1.96 -1.64 0.00 0.00 178.16 179.54 2x93 h GLN 229 N 0.82 1.05 -0.36 1.82 1.08 -0.85 0.10 115.11 118.76 2x93 h GLN 229 Ca 0.27 -0.06 -0.10 0.00 -1.45 0.00 0.00 58.65 57.31 2x93 h GLN 229 Cb 0.02 -0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 27.20 2x93 h GLN 229 CO -0.11 0.69 -0.15 1.96 -0.95 0.00 0.00 178.83 180.28 2x93 h GLN 230 N 1.08 0.74 -0.25 1.46 1.08 -0.95 -0.91 115.11 117.36 2x93 h GLN 230 Ca 0.38 -0.31 -0.02 0.00 -1.45 0.00 0.00 58.65 57.25 2x93 h GLN 230 Cb 0.14 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.53 2x93 h GLN 230 CO -0.14 0.92 0.07 0.82 -0.95 0.00 0.00 178.83 179.56 2x93 h ILE 231 N 0.54 1.20 -0.26 2.54 2.04 -0.86 -1.95 117.51 120.76 2x93 h ILE 231 Ca 0.08 -0.65 0.04 0.00 1.00 0.00 0.00 64.86 65.34 2x93 h ILE 231 Cb 0.69 1.15 -0.04 0.00 -0.74 0.00 0.00 36.82 37.87 2x93 h ILE 231 CO 0.05 0.21 0.01 -0.74 0.00 0.00 0.00 178.15 177.68 2x93 h HIS 232 N 0.24 0.00 -0.47 1.37 2.76 -0.78 -0.65 115.15 117.62 2x93 h HIS 232 Ca 0.08 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.29 2x93 h HIS 232 Cb 0.25 0.04 -0.03 0.00 1.55 0.00 0.00 27.41 29.22 2x93 h HIS 232 CO 0.01 -0.03 0.27 0.78 -1.30 0.00 0.00 177.93 177.66 2x93 h GLY 233 N 0.09 0.66 0.98 5.26 0.00 -1.07 -1.40 103.07 107.59 2x93 h GLY 233 Ca 0.12 -0.20 -0.09 0.00 0.00 0.00 0.00 47.33 47.16 2x93 h GLY 233 CO -0.20 0.17 -0.07 -1.82 0.00 0.00 0.00 176.54 174.62 2x93 h TYR 234 N 0.55 0.88 -0.23 5.60 5.03 -1.11 -1.83 116.97 125.85 2x93 h TYR 234 Ca 0.19 -0.18 -0.00 0.00 2.58 0.00 0.00 58.73 61.32 2x93 h TYR 234 Cb 0.03 -0.22 -0.01 0.00 1.55 0.00 0.00 36.73 38.08 2x93 h TYR 234 CO -0.07 0.89 0.14 0.28 -1.32 0.00 0.00 178.16 178.08 2x93 h VAL 235 N 0.61 1.08 -0.59 1.81 2.07 -0.95 -1.14 116.25 119.15 2x93 h VAL 235 Ca 0.11 -0.19 0.06 0.00 0.82 0.00 0.00 66.70 67.50 2x93 h VAL 235 Cb 0.59 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 31.10 2x93 h VAL 235 CO 0.04 0.08 0.30 -0.09 0.02 0.00 0.00 177.57 177.91 2x93 h ARG 236 N 0.29 0.54 -0.42 1.57 2.43 -1.18 0.15 114.38 117.75 2x93 h ARG 236 Ca 0.08 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.26 2x93 h ARG 236 Cb 0.01 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.39 2x93 h ARG 236 CO -0.02 0.35 0.17 0.35 -1.51 0.00 0.00 179.97 179.32 2x93 h PHE 237 N 0.55 0.31 -0.19 2.20 3.57 -1.07 -1.32 116.94 121.00 2x93 h PHE 237 Ca 0.27 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.65 2x93 h PHE 237 Cb 0.21 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 2x93 h PHE 237 CO -0.11 0.14 -0.49 0.00 -2.23 0.00 0.00 178.31 175.62 2x93 h ARG 238 N 0.36 0.51 -0.25 1.11 2.47 -0.50 -2.92 114.38 115.15 2x93 h ARG 238 Ca 0.19 -0.29 -0.09 0.00 -1.26 0.00 0.00 59.98 58.53 2x93 h ARG 238 Cb 0.15 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.47 2x93 h ARG 238 CO -0.17 0.88 -0.21 -0.07 0.56 0.00 0.00 179.97 180.96 2x93 h LEU 239 N 0.40 0.46 -1.05 3.04 3.38 -0.52 -2.69 115.31 118.33 2x93 h LEU 239 Ca 0.02 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.85 2x93 h LEU 239 Cb 1.00 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.58 2x93 h LEU 239 CO 0.09 0.68 0.61 0.03 0.09 0.00 0.00 178.44 179.94 2x93 h ARG 240 N 0.42 1.24 0.00 1.13 3.08 -1.06 0.90 114.38 120.09 2x93 h ARG 240 Ca 0.07 -0.08 -0.08 0.00 0.07 0.00 0.00 59.98 59.95 2x93 h ARG 240 Cb 0.61 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 2x93 h ARG 240 CO 0.04 0.83 -0.38 0.87 -1.07 0.00 0.00 179.97 180.27 2x93 h LYS 241 N 1.28 0.00 0.00 0.04 1.57 -1.33 0.31 116.57 118.44 2x93 h LYS 241 Ca 0.34 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.05 2x93 h LYS 241 Cb -0.13 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 2x93 h LYS 241 CO -0.07 0.38 -0.46 1.25 -0.57 0.00 0.00 179.45 179.98 2x93 h HIS 242 N 0.00 0.00 0.00 -1.35 2.76 -1.13 -3.41 115.15 112.02 2x93 h HIS 242 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2x93 h HIS 242 Cb 0.75 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.71 2x93 h HIS 242 CO 0.00 0.89 -1.38 0.66 -1.30 0.00 0.00 177.93 176.80 2x93 n TYR 243 N -4.58 0.54 0.00 5.26 4.01 0.27 -5.09 117.16 117.57 2x93 n TYR 243 Ca -0.15 0.16 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 2x93 n TYR 243 Cb 0.44 -0.74 0.00 0.00 -0.31 0.00 0.00 39.34 38.74 2x93 n TYR 243 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2x93 n GLY 244 N 1.23 -0.18 0.08 2.72 0.00 0.10 -4.49 105.19 104.65 2x93 n GLY 244 Ca -0.01 -1.71 0.12 0.00 0.00 0.00 0.00 46.02 44.42 2x93 n GLY 244 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2x93 n ASP 245 N -1.06 0.49 0.19 1.61 9.92 -1.26 -2.12 116.55 124.32 2x93 n ASP 245 Ca 0.00 0.58 0.04 0.00 -0.53 0.00 0.00 54.79 54.87 2x93 n ASP 245 Cb 0.00 -0.70 0.38 0.00 -0.64 0.00 0.00 41.12 40.16 2x93 n ASP 245 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2x93 h ALA 246 N 2.53 1.30 0.03 2.24 0.00 -1.96 -3.33 119.26 120.08 2x93 h ALA 246 Ca 0.00 -0.33 -0.38 0.00 0.00 0.00 0.00 54.91 54.20 2x93 h ALA 246 Cb 0.51 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 2x93 h ALA 246 CO 0.00 0.45 -2.35 0.28 0.00 0.00 0.00 179.25 177.63 2x93 n VAL 247 N -3.96 1.57 -4.09 0.00 0.31 -1.02 -4.93 118.33 106.21 2x93 n VAL 247 Ca -0.02 -0.60 -0.29 0.00 -0.01 0.00 0.00 64.34 63.43 2x93 n VAL 247 Cb 0.41 -1.49 -0.17 0.00 -0.91 0.00 0.00 33.84 31.69 2x93 n VAL 247 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2x93 s VAL 248 N -2.53 1.42 0.42 2.52 1.01 -0.90 -4.81 120.40 117.52 2x93 s VAL 248 Ca -0.31 -0.55 -0.08 0.00 0.00 0.00 0.00 61.98 61.04 2x93 s VAL 248 Cb 0.08 -1.34 -0.05 0.00 0.00 0.00 0.00 36.38 35.07 2x93 s VAL 248 CO 0.65 0.43 0.75 -0.94 0.00 0.00 0.00 175.10 175.99 2x93 s SER 249 N 1.42 6.42 0.23 3.32 1.04 -1.26 -4.20 113.70 120.67 2x93 s SER 249 Ca 0.02 1.01 0.00 0.00 0.48 0.00 0.00 55.95 57.46 2x93 s SER 249 Cb -0.13 -2.27 0.24 0.00 0.10 0.00 0.00 66.02 63.95 2x93 s SER 249 CO -0.08 -0.44 1.59 -0.08 0.98 0.00 0.00 173.24 175.21 2x93 h GLU 250 N 0.92 0.47 -0.00 4.02 4.81 -1.94 -3.36 114.58 119.50 2x93 h GLU 250 Ca -0.47 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 58.50 2x93 h GLU 250 Cb 1.19 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.59 2x93 h GLU 250 CO 0.63 0.83 -0.49 0.25 -0.73 0.00 0.00 179.01 179.51 2x93 n THR 251 N -4.00 0.00 -2.84 0.32 -2.24 -1.26 -4.85 114.28 99.41 2x93 n THR 251 Ca -0.02 -0.26 -0.20 0.00 -2.27 0.00 0.00 64.05 61.31 2x93 n THR 251 Cb 0.54 1.01 0.02 0.00 -2.10 0.00 0.00 70.33 69.80 2x93 n THR 251 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2x93 s GLY 252 N -1.97 1.85 0.60 3.38 0.00 -1.26 -1.08 107.32 108.83 2x93 s GLY 252 Ca 0.05 -1.45 -0.19 0.00 0.00 0.00 0.00 44.72 43.13 2x93 s GLY 252 CO 0.43 -1.22 1.17 -1.05 0.00 0.00 0.00 173.10 172.44 2x93 n PRO 253 N -2.10 1.17 -2.38 2.90 -0.02 -1.26 -4.79 135.00 128.51 2x93 n PRO 253 Ca 0.07 0.45 -0.42 0.00 -2.02 0.00 0.00 63.50 61.58 2x93 n PRO 253 Cb 0.59 -2.39 -0.03 0.00 -0.02 0.00 0.00 33.50 31.65 2x93 n PRO 253 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2x93 s ILE 254 N -1.41 3.86 -0.01 4.25 1.01 -0.31 -4.76 121.20 123.84 2x93 s ILE 254 Ca 0.77 1.37 -0.30 0.00 0.00 0.00 0.00 60.65 62.50 2x93 s ILE 254 Cb -0.41 -3.88 -0.07 0.00 0.01 0.00 0.00 42.46 38.11 2x93 s ILE 254 CO 0.45 0.13 1.87 -2.84 0.00 0.00 0.00 174.94 174.55 2x93 s PRO 255 N 0.83 4.10 0.51 2.79 0.02 -1.26 -1.78 135.00 140.21 2x93 s PRO 255 Ca 0.58 2.43 0.29 0.00 0.02 0.00 0.00 61.00 64.32 2x93 s PRO 255 Cb -0.31 -4.11 1.20 0.00 0.02 0.00 0.00 34.50 31.30 2x93 s PRO 255 CO 0.31 -0.98 1.93 0.00 -0.33 0.00 0.00 177.00 177.93 2x93 h MET 256 N 10.44 0.00 0.00 5.54 -0.00 -1.35 -2.71 114.93 126.84 2x93 h MET 256 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.25 2x93 h MET 256 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.82 2x93 h MET 256 CO 0.95 0.10 0.00 -2.39 -0.00 0.00 0.00 176.91 175.57 2x93 n HIS 257 N -3.25 0.11 1.22 -0.10 1.44 -1.26 -2.38 115.22 111.00 2x93 n HIS 257 Ca 0.00 0.04 0.13 0.00 -2.01 0.00 0.00 57.72 55.88 2x93 n HIS 257 Cb 0.35 -0.57 0.37 0.00 0.12 0.00 0.00 29.99 30.26 2x93 n HIS 257 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2x93 n LEU 258 N -1.60 2.05 -1.26 2.39 4.77 -1.02 -4.37 117.00 117.95 2x93 n LEU 258 Ca 0.03 -0.75 0.12 0.00 -0.03 0.00 0.00 56.01 55.39 2x93 n LEU 258 Cb 0.18 -0.05 0.28 0.00 -2.33 0.00 0.00 43.42 41.50 2x93 n LEU 258 CO 0.15 0.37 0.74 0.18 -1.33 0.00 0.00 177.39 177.50 2x93 n LEU 259 N 0.59 3.71 -0.01 2.23 4.77 -1.00 -4.95 117.00 122.34 2x93 n LEU 259 Ca 0.17 -1.74 -0.00 0.00 -0.03 0.00 0.00 56.01 54.41 2x93 n LEU 259 Cb 0.43 -0.38 -0.00 0.00 -2.33 0.00 0.00 43.42 41.14 2x93 n LEU 259 CO 0.15 0.87 -0.00 0.61 -1.33 0.00 0.00 177.39 177.69 2x93 n GLY 260 N 1.60 0.47 3.27 -0.72 0.00 -1.26 -4.38 105.19 104.17 2x93 n GLY 260 Ca 0.22 -0.28 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 2x93 n GLY 260 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2x93 s ASN 261 N -2.26 -0.45 0.54 1.61 3.84 -1.26 -4.08 114.94 112.89 2x93 s ASN 261 Ca 0.00 0.82 0.24 0.00 0.21 0.00 0.00 52.86 54.14 2x93 s ASN 261 Cb 0.00 0.77 1.43 0.00 -0.55 0.00 0.00 41.25 42.90 2x93 s ASN 261 CO 0.00 -0.16 2.04 -0.03 -2.79 0.00 0.00 177.10 176.16 2x93 h MET 262 N 6.24 0.00 -0.11 0.43 1.85 -1.92 -1.69 114.93 119.73 2x93 h MET 262 Ca -0.31 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.78 2x93 h MET 262 Cb 1.18 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.21 2x93 h MET 262 CO 0.28 0.00 0.00 0.91 -0.40 0.00 0.00 176.91 177.70 2x93 n TRP 263 N -4.27 0.14 -2.57 1.39 8.01 -1.26 -4.98 117.44 113.90 2x93 n TRP 263 Ca 0.06 -0.25 -0.17 0.00 -1.31 0.00 0.00 57.50 55.83 2x93 n TRP 263 Cb 0.46 -0.02 -0.00 0.00 -2.01 0.00 0.00 31.31 29.74 2x93 n TRP 263 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2x93 n ALA 264 N 0.23 -0.77 0.08 6.99 0.00 -0.64 -4.88 120.51 121.52 2x93 n ALA 264 Ca 0.05 0.14 -0.03 0.00 0.00 0.00 0.00 53.44 53.60 2x93 n ALA 264 Cb 0.26 -2.07 -0.06 0.00 0.00 0.00 0.00 19.45 17.58 2x93 n ALA 264 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2x93 h GLN 265 N -0.22 0.00 -3.20 0.00 3.07 -1.93 -3.45 115.11 109.38 2x93 h GLN 265 Ca -0.39 0.00 -0.19 0.00 0.09 0.00 0.00 58.65 58.16 2x93 h GLN 265 Cb 1.28 0.00 -0.28 0.00 0.08 0.00 0.00 27.48 28.57 2x93 h GLN 265 CO 0.46 0.74 -0.50 -0.65 0.09 0.00 0.00 178.83 178.96 2x93 s GLN 266 N -2.81 0.21 -0.08 0.06 -0.21 -1.26 -3.36 119.66 112.20 2x93 s GLN 266 Ca 0.02 0.35 0.15 0.00 0.02 0.00 0.00 55.36 55.89 2x93 s GLN 266 Cb 0.09 0.02 0.48 0.00 1.00 0.00 0.00 33.01 34.59 2x93 s GLN 266 CO 0.79 -0.08 1.40 0.91 -2.12 0.00 0.00 175.29 176.19 2x93 n TRP 267 N 3.45 0.85 0.27 0.91 8.01 -0.17 -4.47 117.44 126.30 2x93 n TRP 267 Ca -0.18 -0.64 0.14 0.00 -1.31 0.00 0.00 57.50 55.52 2x93 n TRP 267 Cb 0.56 -0.16 0.85 0.00 -2.01 0.00 0.00 31.31 30.55 2x93 n TRP 267 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 2x93 h SER 268 N 2.47 0.00 0.73 -0.99 4.64 -1.83 -2.19 113.55 116.38 2x93 h SER 268 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2x93 h SER 268 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2x93 h SER 268 CO 0.12 0.00 0.00 -0.33 -0.87 0.00 0.00 176.83 175.75 2x93 h GLU 269 N 0.00 0.00 -0.48 4.77 4.39 -1.84 -2.59 114.58 118.84 2x93 h GLU 269 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2x93 h GLU 269 Cb 0.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 2x93 h GLU 269 CO -0.00 0.00 0.00 0.44 -1.16 0.00 0.00 179.01 178.29 2x93 n ILE 270 N -2.63 2.01 -0.15 3.13 -5.35 -0.82 -4.61 119.36 110.94 2x93 n ILE 270 Ca 0.01 -1.40 0.09 0.00 -0.27 0.00 0.00 62.75 61.17 2x93 n ILE 270 Cb 0.23 0.00 0.40 0.00 -1.74 0.00 0.00 39.64 38.54 2x93 n ILE 270 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2x93 h ALA 271 N 3.10 1.81 0.00 -1.28 0.00 -1.59 -1.76 119.26 119.55 2x93 h ALA 271 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2x93 h ALA 271 Cb 1.44 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 2x93 h ALA 271 CO 0.24 0.06 -0.04 0.38 0.00 0.00 0.00 179.25 179.89 2x93 h ASP 272 N 0.63 0.00 -0.00 0.00 2.03 -1.84 -0.63 116.42 116.61 2x93 h ASP 272 Ca 0.31 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.61 2x93 h ASP 272 Cb 0.38 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.88 2x93 h ASP 272 CO -0.10 0.04 -0.61 2.30 -1.03 0.00 0.00 179.24 179.84 2x93 n ILE 273 N -3.32 0.00 -0.10 4.15 -5.35 -0.70 -4.62 119.36 109.43 2x93 n ILE 273 Ca -0.02 -0.20 0.00 0.00 -0.27 0.00 0.00 62.75 62.27 2x93 n ILE 273 Cb 0.17 1.03 0.00 0.00 -1.74 0.00 0.00 39.64 39.11 2x93 n ILE 273 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 2x93 n VAL 274 N -1.11 0.47 -2.07 7.28 0.24 -0.98 -4.79 118.33 117.36 2x93 n VAL 274 Ca 0.03 -0.68 -0.41 0.00 -2.04 0.00 0.00 64.34 61.24 2x93 n VAL 274 Cb 0.24 0.81 -0.02 0.00 -1.47 0.00 0.00 33.84 33.40 2x93 n VAL 274 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2x93 s SER 275 N -0.47 6.72 0.27 -1.34 1.04 -0.27 -4.92 113.70 114.73 2x93 s SER 275 Ca 0.00 2.62 0.00 0.00 0.48 0.00 0.00 55.95 59.05 2x93 s SER 275 Cb 0.00 -2.63 0.60 0.00 0.10 0.00 0.00 66.02 64.09 2x93 s SER 275 CO 0.00 -0.64 1.72 -0.65 0.98 0.00 0.00 173.24 174.65 2x93 h PRO 276 N 4.79 0.43 -3.03 4.02 0.11 -1.90 -3.32 132.00 133.10 2x93 h PRO 276 Ca -0.46 -0.03 -0.62 0.00 0.11 0.00 0.00 66.00 65.00 2x93 h PRO 276 Cb 1.22 -0.10 -0.40 0.00 0.11 0.00 0.00 31.00 31.83 2x93 h PRO 276 CO 0.75 0.28 -0.70 -0.06 -0.21 0.00 0.00 178.00 178.06 2x93 s PHE 277 N -5.95 2.47 0.48 0.65 0.08 -1.26 -4.98 117.98 109.48 2x93 s PHE 277 Ca -0.12 -2.76 0.40 0.00 0.12 0.00 0.00 56.93 54.56 2x93 s PHE 277 Cb 0.23 -2.16 2.04 0.00 -0.57 0.00 0.00 43.02 42.56 2x93 s PHE 277 CO 0.77 -0.73 2.24 -1.35 -0.10 0.00 0.00 175.22 176.05 2x93 h PRO 278 N 6.30 0.00 0.00 0.24 0.11 -1.97 -1.34 132.00 135.34 2x93 h PRO 278 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 2x93 h PRO 278 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 2x93 h PRO 278 CO 0.56 0.01 -0.41 0.39 -0.21 0.00 0.00 178.00 178.34 2x93 n GLU 279 N -3.16 0.08 -4.05 1.05 1.02 -1.26 -4.88 120.64 109.44 2x93 n GLU 279 Ca -0.02 0.03 -0.22 0.00 -0.02 0.00 0.00 57.16 56.93 2x93 n GLU 279 Cb 0.15 -1.56 -0.03 0.00 -0.02 0.00 0.00 31.44 29.98 2x93 n GLU 279 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2x93 s LYS 280 N -3.05 3.15 0.40 3.49 -0.14 -0.51 -5.06 119.74 118.02 2x93 s LYS 280 Ca 0.10 -0.92 -0.27 0.00 -1.36 0.00 0.00 55.97 53.53 2x93 s LYS 280 Cb 0.17 -2.71 -0.10 0.00 -1.68 0.00 0.00 37.83 33.51 2x93 s LYS 280 CO 0.67 0.42 1.41 -1.25 -0.76 0.00 0.00 175.35 175.83 2x93 s PRO 281 N -3.88 4.00 -0.12 -1.68 0.04 -1.26 -4.93 135.00 127.18 2x93 s PRO 281 Ca 0.33 2.40 0.02 0.00 0.04 0.00 0.00 61.00 63.79 2x93 s PRO 281 Cb -0.08 -2.86 0.02 0.00 0.04 0.00 0.00 34.50 31.61 2x93 s PRO 281 CO 0.27 -0.55 -0.15 -1.17 0.04 0.00 0.00 177.00 175.43 2x93 s LEU 282 N -2.29 1.73 -0.14 -3.56 2.96 -1.26 -4.79 118.68 111.34 2x93 s LEU 282 Ca 0.55 -0.44 -0.29 0.00 -0.22 0.00 0.00 54.13 53.72 2x93 s LEU 282 Cb -0.43 -1.12 -0.03 0.00 0.50 0.00 0.00 46.19 45.11 2x93 s LEU 282 CO 0.57 0.01 1.44 -0.69 -1.32 0.00 0.00 176.35 176.36 2x93 s VAL 283 N 1.05 3.97 -0.35 1.68 1.01 -1.26 -4.95 120.40 121.56 2x93 s VAL 283 Ca -0.05 1.16 0.03 0.00 0.00 0.00 0.00 61.98 63.12 2x93 s VAL 283 Cb -0.15 -3.79 0.16 0.00 0.00 0.00 0.00 36.38 32.60 2x93 s VAL 283 CO -0.03 -0.15 0.41 -0.62 0.00 0.00 0.00 175.10 174.71 2x93 s ASP 284 N 2.75 0.69 0.00 3.32 3.68 -1.26 -5.05 116.67 120.80 2x93 s ASP 284 Ca 0.63 -1.11 0.23 0.00 2.13 0.00 0.00 52.55 54.43 2x93 s ASP 284 Cb -0.26 0.87 0.78 0.00 -1.45 0.00 0.00 42.92 42.86 2x93 s ASP 284 CO 0.22 -0.28 1.57 1.33 0.13 0.00 0.00 175.17 178.14 2x93 n VAL 285 N 4.64 0.17 -0.19 1.11 0.24 -1.26 -4.33 118.33 118.71 2x93 n VAL 285 Ca 0.07 -0.36 -0.01 0.00 -2.04 0.00 0.00 64.34 62.00 2x93 n VAL 285 Cb 0.48 0.48 0.09 0.00 -1.47 0.00 0.00 33.84 33.42 2x93 n VAL 285 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2x93 h SER 286 N 2.49 0.26 -0.69 -1.34 0.02 -1.91 -0.63 113.55 111.76 2x93 h SER 286 Ca 0.00 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2x93 h SER 286 Cb 0.54 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.08 2x93 h SER 286 CO 0.00 0.16 0.44 0.00 -1.14 0.00 0.00 176.83 176.29 2x93 h ALA 287 N 1.38 0.88 -0.17 3.77 0.00 -1.92 -2.16 119.26 121.04 2x93 h ALA 287 Ca 0.29 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 55.00 2x93 h ALA 287 Cb 0.32 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2x93 h ALA 287 CO -0.27 0.32 -0.44 0.93 0.00 0.00 0.00 179.25 179.79 2x93 h GLU 288 N 0.94 0.42 -0.09 0.00 4.39 -1.71 -0.97 114.58 117.55 2x93 h GLU 288 Ca 0.25 -0.22 0.01 0.00 0.34 0.00 0.00 59.36 59.74 2x93 h GLU 288 Cb -0.07 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 2x93 h GLU 288 CO -0.05 0.78 0.04 0.52 -1.16 0.00 0.00 179.01 179.14 2x93 h MET 289 N 0.34 0.09 -0.50 2.33 2.86 -0.87 -0.85 114.93 118.32 2x93 h MET 289 Ca 0.02 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 2x93 h MET 289 Cb 0.91 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.53 2x93 h MET 289 CO 0.08 0.06 0.28 0.93 1.06 0.00 0.00 176.91 179.32 2x93 h GLU 290 N 0.09 0.70 -0.55 1.72 5.08 -1.27 -1.53 114.58 118.83 2x93 h GLU 290 Ca 0.04 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 2x93 h GLU 290 Cb 0.01 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 2x93 h GLU 290 CO -0.03 0.54 0.25 -0.22 -1.00 0.00 0.00 179.01 178.55 2x93 h LYS 291 N 0.67 0.78 -0.12 2.33 3.64 -1.02 -2.03 116.57 120.81 2x93 h LYS 291 Ca 0.18 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2x93 h LYS 291 Cb 0.04 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 2x93 h LYS 291 CO -0.03 0.62 0.00 1.04 -2.27 0.00 0.00 179.45 178.81 2x93 n GLN 292 N -4.36 1.45 -2.17 1.90 6.02 -0.34 -4.93 117.38 114.96 2x93 n GLN 292 Ca 0.05 -0.68 -0.09 0.00 -0.01 0.00 0.00 57.00 56.26 2x93 n GLN 292 Cb 0.14 -1.32 -0.00 0.00 1.02 0.00 0.00 30.24 30.08 2x93 n GLN 292 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2x93 n GLY 293 N 0.96 -0.00 3.70 1.08 0.00 -0.76 -5.00 105.19 105.17 2x93 n GLY 293 Ca 0.14 -0.51 -0.40 0.00 0.00 0.00 0.00 46.02 45.25 2x93 n GLY 293 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2x93 n TYR 294 N -4.01 1.98 -4.38 1.61 0.53 -0.60 -5.04 117.16 107.25 2x93 n TYR 294 Ca -0.11 0.47 -0.19 0.00 -1.02 0.00 0.00 57.90 57.04 2x93 n TYR 294 Cb 0.58 -2.33 -0.10 0.00 -1.03 0.00 0.00 39.34 36.45 2x93 n TYR 294 CO 0.00 0.00 0.00 0.95 -1.02 0.00 0.00 176.86 176.79 2x93 s THR 295 N -1.28 1.47 0.25 -0.72 -4.23 -1.26 -4.87 115.64 104.99 2x93 s THR 295 Ca 0.67 -2.11 -0.04 0.00 -1.18 0.00 0.00 61.69 59.04 2x93 s THR 295 Cb -0.46 -2.35 0.22 0.00 1.34 0.00 0.00 72.50 71.24 2x93 s THR 295 CO 0.53 -0.36 1.74 -0.65 -0.54 0.00 0.00 174.62 175.34 2x93 h PRO 296 N 2.38 0.47 -0.37 3.99 0.11 -1.90 -1.86 132.00 134.83 2x93 h PRO 296 Ca -0.39 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 65.75 2x93 h PRO 296 Cb 1.23 -0.11 -0.05 0.00 0.11 0.00 0.00 31.00 32.18 2x93 h PRO 296 CO 0.66 0.31 0.04 1.25 -0.21 0.00 0.00 178.00 180.04 2x93 h LEU 297 N 0.48 -0.07 -0.77 2.35 5.85 -1.96 -1.88 115.31 119.31 2x93 h LEU 297 Ca 0.42 0.07 0.03 0.00 0.84 0.00 0.00 57.88 59.24 2x93 h LEU 297 Cb 0.61 0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.71 2x93 h LEU 297 CO -0.38 -0.00 0.49 0.50 -0.34 0.00 0.00 178.44 178.70 2x93 h LYS 298 N 0.15 0.92 -0.50 1.25 1.63 -1.82 -0.26 116.57 117.94 2x93 h LYS 298 Ca 0.18 -0.06 -0.00 0.00 -0.85 0.00 0.00 60.65 59.92 2x93 h LYS 298 Cb 0.23 -0.21 -0.02 0.00 -0.60 0.00 0.00 32.23 31.63 2x93 h LYS 298 CO -0.27 0.61 0.30 0.52 -3.45 0.00 0.00 179.45 177.17 2x93 h MET 299 N 0.95 0.67 -0.44 1.90 2.86 -0.83 0.67 114.93 120.72 2x93 h MET 299 Ca 0.31 -0.06 -0.11 0.00 -2.06 0.00 0.00 59.70 57.78 2x93 h MET 299 Cb 0.02 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.52 2x93 h MET 299 CO -0.11 0.48 -0.17 0.74 1.06 0.00 0.00 176.91 178.91 2x93 h PHE 300 N 0.66 0.93 -0.50 -0.22 0.04 -1.07 -1.79 116.94 114.99 2x93 h PHE 300 Ca 0.18 -0.20 -0.05 0.00 2.80 0.00 0.00 57.97 60.70 2x93 h PHE 300 Cb -0.02 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 37.88 2x93 h PHE 300 CO -0.03 0.94 0.09 1.96 -0.60 0.00 0.00 178.31 180.67 2x93 h GLN 301 N 0.74 0.77 -0.35 1.51 4.20 -0.68 -1.08 115.11 120.23 2x93 h GLN 301 Ca 0.11 -0.16 -0.13 0.00 0.06 0.00 0.00 58.65 58.52 2x93 h GLN 301 Cb 0.68 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 2x93 h GLN 301 CO 0.05 0.72 -0.32 0.52 -0.67 0.00 0.00 178.83 179.13 2x93 h MET 302 N 0.74 0.77 -0.08 1.46 2.86 -0.65 -1.40 114.93 118.63 2x93 h MET 302 Ca 0.16 -0.36 -0.00 0.00 -2.06 0.00 0.00 59.70 57.44 2x93 h MET 302 Cb 0.32 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.96 2x93 h MET 302 CO 0.00 0.98 0.04 0.78 1.06 0.00 0.00 176.91 179.77 2x93 h GLY 303 N 0.94 0.12 0.22 8.32 0.00 -1.05 -1.93 103.07 109.69 2x93 h GLY 303 Ca 0.07 -0.06 0.10 0.00 0.00 0.00 0.00 47.33 47.44 2x93 h GLY 303 CO 0.07 0.06 0.06 -1.80 0.00 0.00 0.00 176.54 174.93 2x93 h ASP 304 N 0.01 -0.10 -0.97 0.19 3.58 -1.11 -1.22 116.42 116.80 2x93 h ASP 304 Ca 0.03 0.11 0.08 0.00 0.42 0.00 0.00 57.03 57.66 2x93 h ASP 304 Cb 0.11 0.17 -0.07 0.00 1.72 0.00 0.00 39.33 41.27 2x93 h ASP 304 CO -0.00 -0.02 0.62 -0.78 -2.88 0.00 0.00 179.24 176.18 2x93 h ASP 305 N 0.19 0.97 -0.28 2.28 3.58 -1.11 -1.40 116.42 120.64 2x93 h ASP 305 Ca 0.27 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.73 2x93 h ASP 305 Cb 0.40 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.24 2x93 h ASP 305 CO -0.39 0.60 0.15 0.15 -2.88 0.00 0.00 179.24 176.87 2x93 h PHE 306 N 1.09 0.40 -0.11 0.28 3.57 -0.42 -0.22 116.94 121.52 2x93 h PHE 306 Ca 0.43 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.90 2x93 h PHE 306 Cb 0.24 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.85 2x93 h PHE 306 CO -0.00 0.35 0.03 0.74 -2.23 0.00 0.00 178.31 177.20 2x93 h PHE 307 N 0.33 0.19 -0.04 0.41 0.04 -1.11 -2.98 116.94 113.78 2x93 h PHE 307 Ca 0.10 -0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.80 2x93 h PHE 307 Cb 0.09 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 2x93 h PHE 307 CO -0.03 0.35 -0.18 1.79 -0.60 0.00 0.00 178.31 179.64 2x93 h THR 308 N -0.02 1.15 0.00 -1.55 1.35 -1.21 -1.62 112.91 111.01 2x93 h THR 308 Ca 0.04 -0.70 -0.03 0.00 -0.55 0.00 0.00 66.41 65.16 2x93 h THR 308 Cb 0.25 1.32 -0.00 0.00 -1.73 0.00 0.00 68.15 67.99 2x93 h THR 308 CO 0.00 0.21 -0.14 0.77 -0.25 0.00 0.00 175.52 176.11 2x93 h SER 309 N 0.06 0.00 -0.46 5.36 4.64 -0.89 -1.43 113.55 120.84 2x93 h SER 309 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2x93 h SER 309 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 2x93 h SER 309 CO 0.02 0.14 0.00 0.23 -0.87 0.00 0.00 176.83 176.35 2x93 n MET 310 N -3.68 2.07 -2.10 4.77 2.00 -0.68 -3.73 117.12 115.76 2x93 n MET 310 Ca -0.02 -1.66 -0.11 0.00 0.00 0.00 0.00 57.70 55.91 2x93 n MET 310 Cb 0.26 -1.36 -0.01 0.00 0.00 0.00 0.00 33.22 32.10 2x93 n MET 310 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 2x93 n ASN 311 N 0.85 -3.63 -5.03 7.83 5.15 -0.54 -3.82 115.26 116.08 2x93 n ASN 311 Ca 0.16 0.02 -0.20 0.00 -0.60 0.00 0.00 54.58 53.96 2x93 n ASN 311 Cb 0.39 -2.78 0.05 0.00 -0.53 0.00 0.00 39.78 36.91 2x93 n ASN 311 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2x93 s LEU 312 N -3.03 3.15 0.01 1.20 1.43 -0.75 -4.94 118.68 115.76 2x93 s LEU 312 Ca 0.00 -0.82 -0.30 0.00 -1.03 0.00 0.00 54.13 51.98 2x93 s LEU 312 Cb 0.00 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.45 2x93 s LEU 312 CO 0.00 -1.26 1.09 -0.89 0.23 0.00 0.00 176.35 175.52 2x93 s THR 313 N -2.63 4.47 0.52 5.49 2.01 -1.26 -4.07 115.64 120.16 2x93 s THR 313 Ca 0.60 1.77 -0.22 0.00 0.31 0.00 0.00 61.69 64.15 2x93 s THR 313 Cb -0.06 -4.13 -0.06 0.00 0.01 0.00 0.00 72.50 68.26 2x93 s THR 313 CO 0.37 0.12 1.23 -0.75 -0.69 0.00 0.00 174.62 174.90 2x93 s LYS 314 N 1.19 3.40 0.13 4.92 2.20 -1.26 -4.70 119.74 125.62 2x93 s LYS 314 Ca 0.55 1.91 -0.31 0.00 -0.36 0.00 0.00 55.97 57.76 2x93 s LYS 314 Cb -0.25 -2.25 -0.09 0.00 -1.51 0.00 0.00 37.83 33.74 2x93 s LYS 314 CO 0.27 -0.88 1.51 -0.51 -0.36 0.00 0.00 175.35 175.38 2x93 s LEU 315 N -3.42 4.37 0.80 5.43 1.43 -1.26 -5.01 118.68 121.02 2x93 s LEU 315 Ca 0.69 2.47 -0.11 0.00 -1.03 0.00 0.00 54.13 56.15 2x93 s LEU 315 Cb -0.32 -3.59 0.07 0.00 0.03 0.00 0.00 46.19 42.38 2x93 s LEU 315 CO 0.38 -0.77 1.09 -2.16 0.23 0.00 0.00 176.35 175.12 2x93 s PRO 316 N 1.37 2.08 0.32 1.29 0.04 -1.26 -4.96 135.00 133.89 2x93 s PRO 316 Ca 0.68 0.77 0.01 0.00 0.04 0.00 0.00 61.00 62.50 2x93 s PRO 316 Cb -0.40 -1.91 0.55 0.00 0.04 0.00 0.00 34.50 32.78 2x93 s PRO 316 CO 0.31 -1.65 1.97 0.37 0.04 0.00 0.00 177.00 178.03 2x93 h GLN 317 N -1.12 0.96 -0.97 4.56 5.75 -1.95 -2.05 115.11 120.29 2x93 h GLN 317 Ca -0.47 -0.06 0.11 0.00 -0.15 0.00 0.00 58.65 58.09 2x93 h GLN 317 Cb 1.26 -0.22 -0.08 0.00 1.07 0.00 0.00 27.48 29.52 2x93 h GLN 317 CO 0.57 0.63 0.62 -0.44 -2.65 0.00 0.00 178.83 177.56 2x93 h ASP 318 N 0.98 0.89 -0.05 -0.69 5.19 -1.91 -0.47 116.42 120.36 2x93 h ASP 318 Ca 0.30 0.04 0.03 0.00 -0.62 0.00 0.00 57.03 56.77 2x93 h ASP 318 Cb -0.02 -0.14 -0.03 0.00 0.18 0.00 0.00 39.33 39.32 2x93 h ASP 318 CO -0.08 0.49 -0.13 0.15 -3.12 0.00 0.00 179.24 176.55 2x93 h PHE 319 N 0.96 -0.33 -0.31 4.55 3.57 -1.40 0.99 116.94 124.96 2x93 h PHE 319 Ca 0.46 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.86 2x93 h PHE 319 Cb 0.45 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 2x93 h PHE 319 CO -0.00 -0.19 -0.29 -1.49 -2.23 0.00 0.00 178.31 174.10 2x93 h TRP 320 N -0.19 0.73 -0.24 0.41 4.06 -1.43 -1.12 115.95 118.16 2x93 h TRP 320 Ca 0.06 -0.18 -0.16 0.00 2.06 0.00 0.00 58.89 60.67 2x93 h TRP 320 Cb 0.28 -0.17 -0.00 0.00 -1.00 0.00 0.00 29.16 28.27 2x93 h TRP 320 CO -0.21 0.85 -0.52 -0.44 -3.56 0.00 0.00 178.44 174.56 2x93 h ASP 321 N 0.55 0.75 0.00 -3.49 3.32 -0.89 -3.38 116.42 113.28 2x93 h ASP 321 Ca 0.07 -0.39 0.00 0.00 0.02 0.00 0.00 57.03 56.73 2x93 h ASP 321 Cb 0.77 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.11 2x93 h ASP 321 CO 0.06 1.13 -1.33 0.29 -1.72 0.00 0.00 179.24 177.67 2x93 n LYS 322 N -3.99 0.95 -1.81 3.56 5.02 0.32 -5.01 118.16 117.20 2x93 n LYS 322 Ca -0.03 -0.09 -0.34 0.00 -2.02 0.00 0.00 58.31 55.83 2x93 n LYS 322 Cb 0.60 -1.23 0.05 0.00 -0.02 0.00 0.00 35.03 34.42 2x93 n LYS 322 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2x93 s SER 323 N -3.09 4.98 -0.30 4.39 0.01 -0.43 -4.93 113.70 114.33 2x93 s SER 323 Ca -0.03 2.22 -0.03 0.00 1.31 0.00 0.00 55.95 59.43 2x93 s SER 323 Cb 0.08 -2.58 0.04 0.00 0.21 0.00 0.00 66.02 63.77 2x93 s SER 323 CO 0.49 -1.73 0.01 -0.63 0.41 0.00 0.00 173.24 171.79 2x93 s ILE 324 N -1.97 3.17 -0.75 1.44 1.01 -0.22 -4.97 121.20 118.90 2x93 s ILE 324 Ca 0.72 -1.24 0.07 0.00 0.00 0.00 0.00 60.65 60.21 2x93 s ILE 324 Cb -0.26 -2.77 0.14 0.00 0.01 0.00 0.00 42.46 39.58 2x93 s ILE 324 CO 0.38 -0.06 0.97 2.30 0.00 0.00 0.00 174.94 178.54 2x93 n ILE 325 N 4.68 0.55 -3.95 2.92 -5.35 -1.25 -0.44 119.36 116.51 2x93 n ILE 325 Ca -0.14 -0.77 -0.10 0.00 -0.27 0.00 0.00 62.75 61.47 2x93 n ILE 325 Cb 0.44 0.80 -0.11 0.00 -1.74 0.00 0.00 39.64 39.03 2x93 n ILE 325 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 2x93 s GLU 326 N -0.83 0.29 0.10 6.28 2.02 -1.10 -3.03 118.70 122.45 2x93 s GLU 326 Ca 0.12 -0.51 -0.31 0.00 0.02 0.00 0.00 54.97 54.29 2x93 s GLU 326 Cb 0.07 0.11 -0.09 0.00 0.10 0.00 0.00 34.13 34.32 2x93 s GLU 326 CO 0.10 -0.05 1.68 0.21 0.02 0.00 0.00 175.26 177.22 2x93 s LYS 327 N -1.28 4.18 0.54 1.61 2.20 -1.26 -4.81 119.74 120.93 2x93 s LYS 327 Ca -0.14 2.41 -0.21 0.00 -0.36 0.00 0.00 55.97 57.66 2x93 s LYS 327 Cb -0.09 -3.49 -0.06 0.00 -1.51 0.00 0.00 37.83 32.69 2x93 s LYS 327 CO -0.01 -0.73 1.21 -2.30 -0.36 0.00 0.00 175.35 173.16 2x93 n PRO 328 N 5.24 1.44 0.00 4.03 -0.02 -1.26 -4.94 135.00 139.49 2x93 n PRO 328 Ca 0.16 0.53 0.12 0.00 -2.02 0.00 0.00 63.50 62.29 2x93 n PRO 328 Cb 0.39 -2.40 0.09 0.00 -0.02 0.00 0.00 33.50 31.57 2x93 n PRO 328 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2x93 n THR 329 N -1.13 0.00 -1.50 3.45 -2.24 -1.26 -4.92 114.28 106.67 2x93 n THR 329 Ca 0.11 -0.25 -0.30 0.00 -2.27 0.00 0.00 64.05 61.34 2x93 n THR 329 Cb 0.44 1.09 0.22 0.00 -2.10 0.00 0.00 70.33 69.98 2x93 n THR 329 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2x93 s ASP 330 N -2.44 1.80 0.00 3.42 1.47 -1.26 -4.95 116.67 114.71 2x93 s ASP 330 Ca 0.21 0.37 0.24 0.00 1.18 0.00 0.00 52.55 54.55 2x93 s ASP 330 Cb 0.18 -0.45 1.42 0.00 -0.34 0.00 0.00 42.92 43.73 2x93 s ASP 330 CO 0.54 -3.56 1.91 0.61 0.68 0.00 0.00 175.17 175.35 2x93 n GLY 331 N -2.38 -0.99 3.77 2.12 0.00 -1.26 -4.95 105.19 101.50 2x93 n GLY 331 Ca 0.15 -0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 2x93 n GLY 331 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2x93 s ARG 332 N -2.00 3.31 0.16 1.61 1.70 -1.26 -5.03 118.95 117.43 2x93 s ARG 332 Ca 0.36 1.58 -0.20 0.00 -0.47 0.00 0.00 55.73 57.00 2x93 s ARG 332 Cb 0.16 -2.00 -0.08 0.00 -0.57 0.00 0.00 34.95 32.47 2x93 s ARG 332 CO 0.27 -0.88 0.67 -0.51 -1.08 0.00 0.00 175.30 173.78 2x93 s ASP 333 N -1.86 7.12 0.24 -2.89 1.11 -1.26 -5.01 116.67 114.11 2x93 s ASP 333 Ca 0.72 1.39 -0.17 0.00 0.18 0.00 0.00 52.55 54.68 2x93 s ASP 333 Cb -0.23 -2.41 0.01 0.00 1.07 0.00 0.00 42.92 41.36 2x93 s ASP 333 CO 0.28 0.15 0.55 -1.48 1.18 0.00 0.00 175.17 175.86 2x93 s LEU 334 N -1.53 0.09 -0.49 1.23 2.34 -1.26 -0.74 118.68 118.33 2x93 s LEU 334 Ca 0.37 -0.69 -0.23 0.00 0.06 0.00 0.00 54.13 53.64 2x93 s LEU 334 Cb -0.19 2.14 0.03 0.00 -0.56 0.00 0.00 46.19 47.62 2x93 s LEU 334 CO 0.21 -1.16 0.82 -0.69 -1.06 0.00 0.00 176.35 174.47 2x93 s VAL 335 N -3.94 4.59 -0.33 1.48 1.01 -0.40 -4.81 120.40 117.99 2x93 s VAL 335 Ca 0.15 0.27 0.21 0.00 0.00 0.00 0.00 61.98 62.61 2x93 s VAL 335 Cb -0.02 -4.39 0.19 0.00 0.00 0.00 0.00 36.38 32.16 2x93 s VAL 335 CO 0.04 -0.86 1.41 0.00 0.00 0.00 0.00 175.10 175.69 2x93 n HIS 337 N -3.01 2.19 -1.83 0.00 -0.00 -1.26 -3.92 115.22 107.39 2x93 n HIS 337 Ca 0.02 0.26 -0.41 0.00 -0.00 0.00 0.00 57.72 57.59 2x93 n HIS 337 Cb 0.58 -2.56 -0.01 0.00 -0.00 0.00 0.00 29.99 28.01 2x93 n HIS 337 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2x93 s ALA 338 N 3.76 3.60 0.07 1.57 0.00 -1.26 -4.92 121.76 124.59 2x93 s ALA 338 Ca 0.95 1.54 -0.19 0.00 0.00 0.00 0.00 51.96 54.27 2x93 s ALA 338 Cb -0.88 -3.61 0.04 0.00 0.00 0.00 0.00 23.12 18.68 2x93 s ALA 338 CO 0.58 -1.00 0.45 -1.54 0.00 0.00 0.00 175.76 174.25 2x93 s SER 339 N -0.03 -0.33 0.02 0.00 1.04 -0.81 -5.03 113.70 108.56 2x93 s SER 339 Ca 0.55 -0.03 0.08 0.00 0.48 0.00 0.00 55.95 57.03 2x93 s SER 339 Cb -0.46 0.46 -0.02 0.00 0.10 0.00 0.00 66.02 66.10 2x93 s SER 339 CO 0.59 -0.74 -0.25 0.00 0.98 0.00 0.00 173.24 173.82 2x93 s ALA 340 N -2.85 2.15 -0.05 5.32 0.00 -1.26 -1.68 121.76 123.39 2x93 s ALA 340 Ca -0.03 -1.18 0.03 0.00 0.00 0.00 0.00 51.96 50.78 2x93 s ALA 340 Cb -0.00 -0.49 0.01 0.00 0.00 0.00 0.00 23.12 22.64 2x93 s ALA 340 CO -0.05 0.51 -0.11 -1.58 0.00 0.00 0.00 175.76 174.53 2x93 s TRP 341 N -0.72 1.30 -0.17 0.00 0.52 0.10 -5.00 118.94 114.97 2x93 s TRP 341 Ca 0.11 -0.42 -0.04 0.00 0.02 0.00 0.00 56.10 55.77 2x93 s TRP 341 Cb -0.10 -0.94 -0.02 0.00 -1.15 0.00 0.00 33.47 31.25 2x93 s TRP 341 CO 0.01 -0.21 -0.03 0.34 0.02 0.00 0.00 176.95 177.08 2x93 s ASP 342 N 0.47 4.75 0.00 2.95 3.68 -1.26 -1.76 116.67 125.51 2x93 s ASP 342 Ca -0.10 -0.17 0.21 0.00 2.13 0.00 0.00 52.55 54.62 2x93 s ASP 342 Cb -0.13 -1.79 0.32 0.00 -1.45 0.00 0.00 42.92 39.87 2x93 s ASP 342 CO 0.02 0.13 1.29 0.49 0.13 0.00 0.00 175.17 177.23 2x93 n PHE 343 N 3.83 0.32 -1.78 -5.34 3.72 -0.88 -4.98 117.46 112.35 2x93 n PHE 343 Ca -0.17 -0.18 -0.17 0.00 -0.05 0.00 0.00 57.45 56.87 2x93 n PHE 343 Cb 0.52 -0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.01 2x93 n PHE 343 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2x93 n TYR 344 N 1.29 -0.27 0.00 1.38 4.02 -1.26 -4.27 117.16 118.05 2x93 n TYR 344 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.05 2x93 n TYR 344 Cb 0.55 -3.16 0.00 0.00 -0.02 0.00 0.00 39.34 36.71 2x93 n TYR 344 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 2x93 n LEU 345 N -2.16 0.00 -4.03 7.72 4.77 -1.26 -4.71 117.00 117.32 2x93 n LEU 345 Ca -0.19 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.51 2x93 n LEU 345 Cb 0.60 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.53 2x93 n LEU 345 CO 0.26 0.00 -0.49 -0.89 -1.33 0.00 0.00 177.39 174.94 2x93 s THR 346 N 3.75 1.49 0.00 -5.08 2.01 -1.26 -4.83 115.64 111.72 2x93 s THR 346 Ca 0.00 -0.61 0.00 0.00 0.31 0.00 0.00 61.69 61.39 2x93 s THR 346 Cb 0.00 -1.38 0.00 0.00 0.01 0.00 0.00 72.50 71.13 2x93 s THR 346 CO 0.00 0.44 0.00 0.47 -0.69 0.00 0.00 174.62 174.84 2x93 n ASP 347 N 4.43 -4.37 -4.40 3.53 10.43 -1.26 -4.93 116.55 119.97 2x93 n ASP 347 Ca -0.18 0.00 -0.45 0.00 2.57 0.00 0.00 54.79 56.73 2x93 n ASP 347 Cb 0.51 -2.51 -0.03 0.00 1.84 0.00 0.00 41.12 40.93 2x93 n ASP 347 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 2x93 s ASP 348 N -2.04 6.57 0.01 -2.24 -1.08 -1.26 -4.46 116.67 112.17 2x93 s ASP 348 Ca 0.00 -2.09 0.03 0.00 -0.52 0.00 0.00 52.55 49.97 2x93 s ASP 348 Cb 0.00 -2.33 -0.01 0.00 -1.46 0.00 0.00 42.92 39.12 2x93 s ASP 348 CO 0.00 -0.94 -0.09 0.68 0.52 0.00 0.00 175.17 175.34 2x93 s VAL 349 N 2.00 0.69 0.02 1.11 -7.23 -1.26 -2.07 120.40 113.65 2x93 s VAL 349 Ca 0.24 -0.62 -0.08 0.00 -1.81 0.00 0.00 61.98 59.71 2x93 s VAL 349 Cb -0.10 -0.63 0.00 0.00 0.56 0.00 0.00 36.38 36.21 2x93 s VAL 349 CO -0.06 0.02 0.15 -0.13 -0.31 0.00 0.00 175.10 174.77 2x93 s ARG 350 N -0.67 0.57 0.01 4.82 0.52 -0.72 -3.50 118.95 119.97 2x93 s ARG 350 Ca -0.00 -0.53 0.07 0.00 -0.52 0.00 0.00 55.73 54.75 2x93 s ARG 350 Cb -0.05 0.23 -0.03 0.00 0.52 0.00 0.00 34.95 35.62 2x93 s ARG 350 CO 0.00 -0.15 -0.22 0.42 0.02 0.00 0.00 175.30 175.38 2x93 s ILE 351 N -1.97 2.47 -0.27 1.52 1.01 -1.26 0.00 121.20 122.70 2x93 s ILE 351 Ca -0.10 -1.14 0.03 0.00 0.00 0.00 0.00 60.65 59.44 2x93 s ILE 351 Cb -0.04 -1.96 0.07 0.00 0.01 0.00 0.00 42.46 40.53 2x93 s ILE 351 CO -0.01 0.46 -0.08 -0.75 0.00 0.00 0.00 174.94 174.55 2x93 s LYS 352 N -1.04 2.08 -0.02 2.79 2.20 -0.68 -1.05 119.74 124.02 2x93 s LYS 352 Ca 0.12 -1.43 -0.01 0.00 -0.36 0.00 0.00 55.97 54.30 2x93 s LYS 352 Cb -0.10 -2.93 0.02 0.00 -1.51 0.00 0.00 37.83 33.31 2x93 s LYS 352 CO 0.02 -0.64 0.05 -1.14 -0.36 0.00 0.00 175.35 173.28 2x93 s GLN 353 N 1.08 0.00 -1.28 4.03 0.74 0.42 -1.93 119.66 122.72 2x93 s GLN 353 Ca -0.05 0.17 -0.11 0.00 0.05 0.00 0.00 55.36 55.42 2x93 s GLN 353 Cb -0.20 -0.16 0.15 0.00 1.10 0.00 0.00 33.01 33.90 2x93 s GLN 353 CO -0.06 -0.12 1.79 0.00 -0.55 0.00 0.00 175.29 176.36 2x93 s THR 355 N 1.18 3.08 0.20 0.00 2.01 -1.17 -4.73 115.64 116.22 2x93 s THR 355 Ca 0.42 0.94 0.11 0.00 0.31 0.00 0.00 61.69 63.47 2x93 s THR 355 Cb 0.07 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.93 2x93 s THR 355 CO -0.00 0.17 -0.23 -0.13 -0.69 0.00 0.00 174.62 173.74 2x93 s ARG 356 N -0.59 1.57 -1.18 4.92 0.52 -1.26 -4.75 118.95 118.17 2x93 s ARG 356 Ca 0.54 -1.53 -0.16 0.00 -0.52 0.00 0.00 55.73 54.07 2x93 s ARG 356 Cb -0.37 -1.86 0.14 0.00 0.52 0.00 0.00 34.95 33.38 2x93 s ARG 356 CO 0.42 0.40 1.45 0.08 0.02 0.00 0.00 175.30 177.67 2x93 s VAL 357 N -1.73 4.78 0.11 3.52 1.01 -1.26 -4.70 120.40 122.12 2x93 s VAL 357 Ca 0.22 -2.30 -0.01 0.00 0.00 0.00 0.00 61.98 59.89 2x93 s VAL 357 Cb -0.08 -4.95 -0.04 0.00 0.00 0.00 0.00 36.38 31.31 2x93 s VAL 357 CO 0.11 -1.69 0.02 0.42 0.00 0.00 0.00 175.10 173.95 2x93 s THR 358 N 2.33 0.20 0.12 3.92 -4.23 -1.26 -4.74 115.64 111.99 2x93 s THR 358 Ca 0.44 -1.88 -0.20 0.00 -1.18 0.00 0.00 61.69 58.86 2x93 s THR 358 Cb -0.02 -1.87 -0.07 0.00 1.34 0.00 0.00 72.50 71.89 2x93 s THR 358 CO -0.00 -0.65 1.77 -0.61 -0.54 0.00 0.00 174.62 174.59 2x93 h GLN 359 N 2.95 0.23 -0.71 3.99 4.15 -1.90 -1.81 115.11 122.02 2x93 h GLN 359 Ca -0.35 -0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.14 2x93 h GLN 359 Cb 1.18 -0.05 -0.07 0.00 0.21 0.00 0.00 27.48 28.75 2x93 h GLN 359 CO 0.62 0.15 0.37 0.22 -1.93 0.00 0.00 178.83 178.26 2x93 h ASP 360 N 0.24 0.51 0.08 -0.69 3.58 -1.97 -1.86 116.42 116.32 2x93 h ASP 360 Ca 0.08 0.05 -0.08 0.00 0.42 0.00 0.00 57.03 57.49 2x93 h ASP 360 Cb -0.01 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 40.99 2x93 h ASP 360 CO -0.03 0.31 -0.27 1.56 -2.88 0.00 0.00 179.24 177.92 2x93 h GLN 361 N 0.65 0.31 -0.74 0.28 1.08 -1.79 -2.23 115.11 112.66 2x93 h GLN 361 Ca 0.34 -0.11 0.00 0.00 -1.45 0.00 0.00 58.65 57.43 2x93 h GLN 361 Cb 0.30 -0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.68 2x93 h GLN 361 CO -0.24 0.56 0.47 1.25 -0.95 0.00 0.00 178.83 179.92 2x93 h LEU 362 N 0.27 0.87 -0.35 1.46 5.85 -0.49 0.46 115.31 123.38 2x93 h LEU 362 Ca 0.04 -0.04 -0.15 0.00 0.84 0.00 0.00 57.88 58.58 2x93 h LEU 362 Cb 0.63 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 2x93 h LEU 362 CO 0.05 0.65 -0.36 -0.26 -0.34 0.00 0.00 178.44 178.18 2x93 h PHE 363 N 1.02 1.04 -0.76 1.25 0.04 -1.19 -2.79 116.94 115.54 2x93 h PHE 363 Ca 0.27 -0.32 -0.00 0.00 2.80 0.00 0.00 57.97 60.72 2x93 h PHE 363 Cb -0.07 -0.22 -0.04 0.00 2.20 0.00 0.00 35.95 37.82 2x93 h PHE 363 CO 0.00 1.12 0.47 1.15 -0.60 0.00 0.00 178.31 180.46 2x93 h THR 364 N 0.66 1.21 -0.54 -1.55 2.02 -0.84 -0.17 112.91 113.70 2x93 h THR 364 Ca 0.05 -0.45 0.04 0.00 0.77 0.00 0.00 66.41 66.82 2x93 h THR 364 Cb 0.95 0.13 -0.04 0.00 -1.74 0.00 0.00 68.15 67.45 2x93 h THR 364 CO 0.09 0.22 0.30 0.58 0.37 0.00 0.00 175.52 177.08 2x93 h VAL 365 N 1.04 1.00 -0.45 3.16 2.07 -0.90 -1.11 116.25 121.08 2x93 h VAL 365 Ca 0.28 -0.20 -0.09 0.00 0.82 0.00 0.00 66.70 67.50 2x93 h VAL 365 Cb -0.06 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 2x93 h VAL 365 CO -0.05 0.11 -0.10 0.45 0.02 0.00 0.00 177.57 178.00 2x93 h HIS 366 N 0.59 0.87 0.09 1.57 -0.00 -1.18 -1.50 115.15 115.59 2x93 h HIS 366 Ca 0.23 -0.16 0.01 0.00 -0.00 0.00 0.00 60.37 60.46 2x93 h HIS 366 Cb 0.09 -0.23 -0.02 0.00 -0.00 0.00 0.00 27.41 27.26 2x93 h HIS 366 CO -0.08 0.86 -0.16 1.25 -0.00 0.00 0.00 177.93 179.80 2x93 h HIS 367 N 0.72 -0.41 -0.42 2.45 6.17 -0.56 -1.55 115.15 121.56 2x93 h HIS 367 Ca 0.12 0.01 -0.06 0.00 0.71 0.00 0.00 60.37 61.15 2x93 h HIS 367 Cb 0.58 0.17 -0.02 0.00 2.52 0.00 0.00 27.41 30.66 2x93 h HIS 367 CO 0.03 -0.24 0.02 0.93 0.71 0.00 0.00 177.93 179.38 2x93 h GLU 368 N -0.31 0.66 0.00 5.26 4.39 -1.11 -1.89 114.58 121.59 2x93 h GLU 368 Ca 0.02 -0.15 -0.03 0.00 0.34 0.00 0.00 59.36 59.54 2x93 h GLU 368 Cb 0.33 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.88 2x93 h GLU 368 CO -0.09 0.67 -0.15 -0.07 -1.16 0.00 0.00 179.01 178.20 2x93 h LEU 369 N 0.63 0.00 -0.66 1.33 3.38 -1.13 -2.51 115.31 116.35 2x93 h LEU 369 Ca 0.13 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 2x93 h LEU 369 Cb 0.37 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 2x93 h LEU 369 CO 0.01 0.15 0.19 1.23 0.09 0.00 0.00 178.44 180.11 2x93 h GLY 370 N 2.00 1.12 0.94 0.83 0.00 -0.44 -0.62 103.07 106.91 2x93 h GLY 370 Ca -0.00 -0.68 -0.00 0.00 0.00 0.00 0.00 47.33 46.64 2x93 h GLY 370 CO 0.02 0.64 -0.03 0.45 0.00 0.00 0.00 176.54 177.62 2x93 h HIS 371 N 0.98 -0.07 -0.50 5.60 3.86 -1.33 -2.41 115.15 121.27 2x93 h HIS 371 Ca 0.21 -0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.49 2x93 h HIS 371 Cb 0.33 0.02 -0.06 0.00 1.06 0.00 0.00 27.41 28.76 2x93 h HIS 371 CO 0.02 0.01 0.17 0.82 0.86 0.00 0.00 177.93 179.82 2x93 h ILE 372 N -0.14 0.82 -0.62 2.45 1.08 -1.34 -0.94 117.51 118.83 2x93 h ILE 372 Ca -0.01 -0.12 0.04 0.00 -0.39 0.00 0.00 64.86 64.39 2x93 h ILE 372 Cb 0.12 0.44 -0.05 0.00 -3.07 0.00 0.00 36.82 34.26 2x93 h ILE 372 CO 0.01 0.06 0.35 -0.61 -0.69 0.00 0.00 178.15 177.28 2x93 h GLN 373 N 0.34 0.66 -0.45 2.37 5.75 -1.07 -1.25 115.11 121.45 2x93 h GLN 373 Ca 0.24 -0.04 0.02 0.00 -0.15 0.00 0.00 58.65 58.72 2x93 h GLN 373 Cb 0.27 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.64 2x93 h GLN 373 CO -0.25 0.43 0.27 -0.92 -2.65 0.00 0.00 178.83 175.71 2x93 h TYR 374 N 0.68 0.50 -0.62 3.99 -0.00 -0.84 0.36 116.97 121.04 2x93 h TYR 374 Ca 0.26 0.02 0.07 0.00 -0.00 0.00 0.00 58.73 59.08 2x93 h TYR 374 Cb 0.11 -0.16 -0.06 0.00 -0.00 0.00 0.00 36.73 36.62 2x93 h TYR 374 CO -0.07 0.29 0.31 0.74 -0.00 0.00 0.00 178.16 179.43 2x93 h PHE 375 N 0.54 0.57 -0.39 -3.82 0.04 -0.62 -2.33 116.94 110.92 2x93 h PHE 375 Ca 0.18 0.03 -0.13 0.00 2.80 0.00 0.00 57.97 60.85 2x93 h PHE 375 Cb 0.02 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 37.99 2x93 h PHE 375 CO -0.07 0.24 -0.28 -0.07 -0.60 0.00 0.00 178.31 177.53 2x93 h LEU 376 N 0.57 0.85 -1.01 1.54 3.38 -0.72 -2.65 115.31 117.27 2x93 h LEU 376 Ca 0.29 -0.34 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 2x93 h LEU 376 Cb 0.24 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2x93 h LEU 376 CO -0.21 1.08 -0.29 1.56 0.09 0.00 0.00 178.44 180.66 2x93 h GLN 377 N 0.70 0.35 -0.43 1.13 1.08 -0.55 -3.23 115.11 114.17 2x93 h GLN 377 Ca 0.08 -0.14 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 2x93 h GLN 377 Cb 0.83 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.24 2x93 h GLN 377 CO 0.07 0.62 0.00 2.48 -0.95 0.00 0.00 178.83 181.05 2x93 n TYR 378 N -4.11 0.57 0.32 2.96 0.18 -0.91 -4.19 117.16 111.97 2x93 n TYR 378 Ca -0.01 -0.50 0.11 0.00 1.88 0.00 0.00 57.90 59.39 2x93 n TYR 378 Cb 0.41 -0.02 0.51 0.00 -0.38 0.00 0.00 39.34 39.86 2x93 n TYR 378 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2x93 n GLN 379 N 0.75 0.17 0.11 -3.48 10.64 -1.00 -1.47 117.38 123.09 2x93 n GLN 379 Ca 0.14 0.49 0.12 0.00 -1.83 0.00 0.00 57.00 55.93 2x93 n GLN 379 Cb 0.47 -1.89 0.28 0.00 -0.86 0.00 0.00 30.24 28.24 2x93 n GLN 379 CO 0.00 0.00 0.00 1.12 -1.83 0.00 0.00 177.06 176.35 2x93 h HIS 380 N 0.00 0.00 -4.23 2.61 2.07 -1.84 -3.47 115.15 110.29 2x93 h HIS 380 Ca 0.00 0.00 -0.51 0.00 -2.85 0.00 0.00 60.37 57.01 2x93 h HIS 380 Cb 0.24 0.00 0.12 0.00 2.57 0.00 0.00 27.41 30.34 2x93 h HIS 380 CO 0.00 0.00 0.36 -0.65 -3.07 0.00 0.00 177.93 174.57 2x93 s GLN 381 N -3.15 2.50 0.69 5.12 -1.52 -0.54 -5.01 119.66 117.75 2x93 s GLN 381 Ca 0.08 1.39 -0.17 0.00 -1.95 0.00 0.00 55.36 54.72 2x93 s GLN 381 Cb 0.11 -1.91 0.01 0.00 -0.22 0.00 0.00 33.01 31.00 2x93 s GLN 381 CO 0.65 -1.49 1.14 -0.35 -0.25 0.00 0.00 175.29 175.00 2x93 n PRO 382 N -2.81 0.75 -0.27 2.91 -0.04 -1.26 -4.77 135.00 129.51 2x93 n PRO 382 Ca 0.10 0.31 0.05 0.00 -0.04 0.00 0.00 63.50 63.93 2x93 n PRO 382 Cb 0.52 -2.38 0.16 0.00 -0.04 0.00 0.00 33.50 31.76 2x93 n PRO 382 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 2x93 h PHE 383 N 0.05 -0.11 0.00 0.54 3.57 -1.95 0.21 116.94 119.24 2x93 h PHE 383 Ca -0.49 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.07 2x93 h PHE 383 Cb 1.34 0.17 0.00 0.00 2.79 0.00 0.00 35.95 40.25 2x93 h PHE 383 CO 0.41 -0.27 0.00 -0.39 -2.23 0.00 0.00 178.31 175.83 2x93 h VAL 384 N 0.08 0.00 -0.03 1.41 -1.51 -1.90 -1.04 116.25 113.26 2x93 h VAL 384 Ca 0.42 -0.16 0.00 0.00 -1.23 0.00 0.00 66.70 65.73 2x93 h VAL 384 Cb 0.74 1.15 0.00 0.00 -2.13 0.00 0.00 31.29 31.05 2x93 h VAL 384 CO -0.71 0.00 0.00 -1.22 -1.23 0.00 0.00 177.57 174.41 2x93 n TYR 385 N -3.07 0.01 -2.01 5.19 4.01 0.05 -4.67 117.16 116.67 2x93 n TYR 385 Ca -0.02 -0.01 -0.41 0.00 -0.16 0.00 0.00 57.90 57.31 2x93 n TYR 385 Cb 0.14 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.17 2x93 n TYR 385 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2x93 n ARG 386 N 1.07 3.87 -3.85 -0.72 1.74 -0.40 -1.01 116.66 117.36 2x93 n ARG 386 Ca 0.15 -3.21 -0.09 0.00 -0.77 0.00 0.00 57.85 53.93 2x93 n ARG 386 Cb 0.54 -2.85 0.01 0.00 -1.02 0.00 0.00 32.46 29.13 2x93 n ARG 386 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2x93 s THR 387 N 0.45 0.00 0.71 0.55 -1.32 -1.26 -5.01 115.64 109.76 2x93 s THR 387 Ca 0.49 -1.06 -0.13 0.00 -1.21 0.00 0.00 61.69 59.79 2x93 s THR 387 Cb 0.14 -2.61 0.03 0.00 -1.51 0.00 0.00 72.50 68.55 2x93 s THR 387 CO -0.05 0.00 1.10 -0.83 -2.21 0.00 0.00 174.62 172.63 2x93 s GLY 388 N -3.04 1.91 0.24 6.08 0.00 -1.26 -2.46 107.32 108.79 2x93 s GLY 388 Ca 0.16 0.40 -0.05 0.00 0.00 0.00 0.00 44.72 45.22 2x93 s GLY 388 CO 0.11 0.74 1.80 0.00 0.00 0.00 0.00 173.10 175.75 2x93 h ALA 389 N -0.53 1.10 -2.64 3.20 0.00 -1.91 -3.39 119.26 115.09 2x93 h ALA 389 Ca -0.45 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.37 2x93 h ALA 389 Cb 1.24 -0.11 -0.12 0.00 0.00 0.00 0.00 17.79 18.79 2x93 h ALA 389 CO 0.53 0.06 -0.36 0.54 0.00 0.00 0.00 179.25 180.02 2x93 s ASN 390 N -5.58 0.06 0.54 0.00 2.20 -1.26 -4.21 114.94 106.69 2x93 s ASN 390 Ca -0.12 -0.97 0.25 0.00 -0.94 0.00 0.00 52.86 51.07 2x93 s ASN 390 Cb 0.19 0.44 1.42 0.00 -2.00 0.00 0.00 41.25 41.30 2x93 s ASN 390 CO 0.77 -0.91 2.02 -0.65 -2.94 0.00 0.00 177.10 175.40 2x93 h PRO 391 N 2.54 0.00 -0.35 3.55 0.11 -1.83 -0.75 132.00 135.26 2x93 h PRO 391 Ca -0.32 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.71 2x93 h PRO 391 Cb 1.23 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 2x93 h PRO 391 CO 0.48 0.00 -0.13 0.78 -0.21 0.00 0.00 178.00 178.92 2x93 h GLY 392 N 0.00 0.67 0.96 -0.55 0.00 -1.91 -3.07 103.07 99.16 2x93 h GLY 392 Ca 0.20 -0.49 0.01 0.00 0.00 0.00 0.00 47.33 47.05 2x93 h GLY 392 CO -0.00 0.45 0.35 0.74 0.00 0.00 0.00 176.54 178.08 2x93 h PHE 393 N 0.57 0.67 -0.94 5.60 0.05 -1.45 -1.92 116.94 119.51 2x93 h PHE 393 Ca 0.10 0.02 -0.00 0.00 3.82 0.00 0.00 57.97 61.90 2x93 h PHE 393 Cb 0.55 -0.22 -0.05 0.00 2.00 0.00 0.00 35.95 38.23 2x93 h PHE 393 CO 0.02 0.41 0.57 1.25 -0.18 0.00 0.00 178.31 180.38 2x93 h HIS 394 N 0.71 1.23 0.00 -0.55 2.76 -1.52 -2.43 115.15 115.35 2x93 h HIS 394 Ca 0.21 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.31 2x93 h HIS 394 Cb -0.05 -0.41 -0.01 0.00 1.55 0.00 0.00 27.41 28.50 2x93 h HIS 394 CO -0.05 0.81 -0.31 0.93 -1.30 0.00 0.00 177.93 178.02 2x93 h GLU 395 N 1.29 0.00 0.01 5.26 4.39 -1.41 -3.30 114.58 120.82 2x93 h GLU 395 Ca 0.34 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.83 2x93 h GLU 395 Cb -0.07 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.56 2x93 h GLU 395 CO -0.06 0.31 -1.00 0.00 -1.16 0.00 0.00 179.01 177.10 2x93 h ALA 396 N 1.69 0.37 0.11 3.43 0.00 -0.85 -3.38 119.26 120.63 2x93 h ALA 396 Ca -0.00 -0.88 0.01 0.00 0.00 0.00 0.00 54.91 54.03 2x93 h ALA 396 Cb 0.86 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 2x93 h ALA 396 CO 0.04 1.19 -0.42 0.28 0.00 0.00 0.00 179.25 180.34 2x93 h VAL 397 N 0.01 0.00 -0.05 0.00 2.07 -1.62 -1.77 116.25 114.89 2x93 h VAL 397 Ca -0.02 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.45 2x93 h VAL 397 Cb 1.74 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 2x93 h VAL 397 CO 0.13 0.00 -0.21 1.23 0.02 0.00 0.00 177.57 178.74 2x93 h GLY 398 N -0.60 0.08 1.88 2.17 0.00 -1.76 -2.74 103.07 102.10 2x93 h GLY 398 Ca -0.01 -0.05 -0.10 0.00 0.00 0.00 0.00 47.33 47.17 2x93 h GLY 398 CO -0.22 0.05 -0.42 -0.55 0.00 0.00 0.00 176.54 175.40 2x93 h ASP 399 N 0.07 0.14 -0.62 0.19 5.19 -1.62 -1.15 116.42 118.63 2x93 h ASP 399 Ca 0.01 -0.06 0.02 0.00 -0.62 0.00 0.00 57.03 56.38 2x93 h ASP 399 Cb 0.42 -0.04 -0.04 0.00 0.18 0.00 0.00 39.33 39.86 2x93 h ASP 399 CO 0.03 0.54 0.40 0.58 -3.12 0.00 0.00 179.24 177.67 2x93 h VAL 400 N 0.11 1.12 -0.43 -1.35 2.07 -1.02 -0.55 116.25 116.21 2x93 h VAL 400 Ca 0.01 -0.27 -0.15 0.00 0.82 0.00 0.00 66.70 67.10 2x93 h VAL 400 Cb 0.79 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 2x93 h VAL 400 CO 0.06 0.15 -0.32 -0.07 0.02 0.00 0.00 177.57 177.41 2x93 h LEU 401 N 0.80 1.02 -1.18 2.57 3.38 -1.53 -3.09 115.31 117.28 2x93 h LEU 401 Ca 0.24 -0.44 0.03 0.00 0.09 0.00 0.00 57.88 57.80 2x93 h LEU 401 Cb -0.04 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.38 2x93 h LEU 401 CO -0.08 1.24 0.56 0.28 0.09 0.00 0.00 178.44 180.54 2x93 h SER 402 N 0.81 0.92 -0.91 -0.43 0.02 -0.93 0.70 113.55 113.73 2x93 h SER 402 Ca 0.08 -0.01 0.05 0.00 -0.84 0.00 0.00 61.79 61.07 2x93 h SER 402 Cb 0.91 -0.21 -0.06 0.00 0.14 0.00 0.00 62.40 63.18 2x93 h SER 402 CO 0.08 0.64 0.60 -0.07 -1.14 0.00 0.00 176.83 176.94 2x93 h LEU 403 N 1.07 0.96 -0.09 5.07 3.38 -1.03 -0.86 115.31 123.81 2x93 h LEU 403 Ca 0.34 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.22 2x93 h LEU 403 Cb 0.02 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.56 2x93 h LEU 403 CO -0.10 0.64 -0.28 0.28 0.09 0.00 0.00 178.44 179.07 2x93 h SER 404 N 1.10 0.41 -0.62 -0.43 0.02 -1.18 -3.25 113.55 109.59 2x93 h SER 404 Ca 0.38 -0.60 0.07 0.00 -0.84 0.00 0.00 61.79 60.79 2x93 h SER 404 Cb 0.10 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.48 2x93 h SER 404 CO -0.13 0.94 0.41 0.58 -1.14 0.00 0.00 176.83 177.49 2x93 h VAL 405 N -0.11 0.98 0.00 2.27 2.07 -0.71 -2.40 116.25 118.36 2x93 h VAL 405 Ca -0.01 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.31 2x93 h VAL 405 Cb 0.90 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 2x93 h VAL 405 CO 0.06 0.11 0.00 0.77 0.02 0.00 0.00 177.57 178.53 2x93 h SER 406 N 0.58 0.00 -3.95 0.57 4.64 -1.19 -3.37 113.55 110.83 2x93 h SER 406 Ca 0.27 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 61.08 2x93 h SER 406 Cb 0.32 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.47 2x93 h SER 406 CO -0.08 0.00 0.53 0.42 -0.87 0.00 0.00 176.83 176.82 2x93 s THR 407 N -3.25 3.02 0.38 2.95 -4.23 -0.90 -4.90 115.64 108.71 2x93 s THR 407 Ca 0.07 0.86 0.14 0.00 -1.18 0.00 0.00 61.69 61.58 2x93 s THR 407 Cb 0.10 -3.48 0.36 0.00 1.34 0.00 0.00 72.50 70.82 2x93 s THR 407 CO 0.49 0.08 1.82 -0.65 -0.54 0.00 0.00 174.62 175.83 2x93 h PRO 408 N 2.59 0.51 0.12 3.99 0.11 -1.88 -1.55 132.00 135.89 2x93 h PRO 408 Ca -0.49 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.61 2x93 h PRO 408 Cb 1.24 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 32.20 2x93 h PRO 408 CO 0.62 0.33 -0.33 -0.22 -0.21 0.00 0.00 178.00 178.20 2x93 h LYS 409 N 0.52 -0.54 -0.43 1.05 3.64 -1.91 -0.99 116.57 117.91 2x93 h LYS 409 Ca 0.51 0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.82 2x93 h LYS 409 Cb 1.12 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 33.05 2x93 h LYS 409 CO -0.25 -0.36 -0.15 1.25 -2.27 0.00 0.00 179.45 177.67 2x93 h HIS 410 N -0.56 0.99 0.00 1.91 2.76 -1.67 -2.93 115.15 115.65 2x93 h HIS 410 Ca 0.03 -0.23 -0.07 0.00 -2.20 0.00 0.00 60.37 57.90 2x93 h HIS 410 Cb 0.59 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.30 2x93 h HIS 410 CO -0.29 0.99 -0.36 -0.07 -1.30 0.00 0.00 177.93 176.91 2x93 h LEU 411 N 0.69 0.00 -0.51 0.26 3.38 -1.14 -1.84 115.31 116.15 2x93 h LEU 411 Ca 0.10 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.93 2x93 h LEU 411 Cb 0.70 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 2x93 h LEU 411 CO 0.05 0.36 -0.31 -0.33 0.09 0.00 0.00 178.44 178.30 2x93 h GLU 412 N 0.00 0.88 -0.89 1.13 5.08 -1.17 -1.57 114.58 118.04 2x93 h GLU 412 Ca -0.00 -0.42 0.06 0.00 -1.00 0.00 0.00 59.36 58.00 2x93 h GLU 412 Cb 0.65 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.84 2x93 h GLU 412 CO 0.05 1.06 0.58 0.87 -1.00 0.00 0.00 179.01 180.57 2x93 h LYS 413 N 0.74 1.01 -0.58 2.33 1.57 -1.15 -2.48 116.57 118.01 2x93 h LYS 413 Ca 0.08 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2x93 h LYS 413 Cb 0.87 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.95 2x93 h LYS 413 CO 0.08 0.67 0.00 0.44 -0.57 0.00 0.00 179.45 180.06 2x93 n ILE 414 N -4.48 0.77 -1.26 1.86 -5.35 -1.00 -4.94 119.36 104.96 2x93 n ILE 414 Ca 0.13 -0.77 -0.09 0.00 -0.27 0.00 0.00 62.75 61.75 2x93 n ILE 414 Cb 0.18 0.39 -0.04 0.00 -1.74 0.00 0.00 39.64 38.43 2x93 n ILE 414 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2x93 n GLY 415 N 1.42 1.06 0.09 3.28 0.00 -0.93 -4.89 105.19 105.22 2x93 n GLY 415 Ca 0.19 -0.49 0.07 0.00 0.00 0.00 0.00 46.02 45.79 2x93 n GLY 415 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2x93 n LEU 416 N -1.03 0.71 -4.14 0.99 4.77 -0.63 -4.78 117.00 112.89 2x93 n LEU 416 Ca -0.09 0.29 -0.33 0.00 -0.03 0.00 0.00 56.01 55.85 2x93 n LEU 416 Cb 0.33 0.01 -0.15 0.00 -2.33 0.00 0.00 43.42 41.28 2x93 n LEU 416 CO 0.14 -0.03 -0.45 -0.22 -1.33 0.00 0.00 177.39 175.50 2x93 s LEU 417 N -5.39 3.02 0.09 2.23 2.96 -0.94 -4.78 118.68 115.85 2x93 s LEU 417 Ca -0.03 -0.99 0.08 0.00 -0.22 0.00 0.00 54.13 52.97 2x93 s LEU 417 Cb 0.10 -1.58 -0.04 0.00 0.50 0.00 0.00 46.19 45.17 2x93 s LEU 417 CO 0.81 -0.12 -0.16 -0.54 -1.32 0.00 0.00 176.35 175.03 2x93 s LYS 418 N 1.24 1.95 -1.45 1.98 1.02 -1.26 -4.33 119.74 118.89 2x93 s LYS 418 Ca -0.02 -1.08 -0.08 0.00 0.02 0.00 0.00 55.97 54.81 2x93 s LYS 418 Cb -0.17 -2.18 0.05 0.00 -0.52 0.00 0.00 37.83 35.01 2x93 s LYS 418 CO -0.07 0.51 0.84 -0.25 -0.92 0.00 0.00 175.35 175.46 2x93 n ASP 419 N 1.01 -3.16 -4.64 2.83 10.43 -1.26 -4.95 116.55 116.80 2x93 n ASP 419 Ca -0.15 -0.82 -0.38 0.00 2.57 0.00 0.00 54.79 56.02 2x93 n ASP 419 Cb 0.52 -3.85 -0.09 0.00 1.84 0.00 0.00 41.12 39.54 2x93 n ASP 419 CO 0.00 0.00 0.00 -0.47 -1.07 0.00 0.00 177.20 175.66 2x93 s TYR 420 N -3.48 3.31 -0.26 1.24 5.04 -1.26 -5.07 117.35 116.87 2x93 s TYR 420 Ca 0.39 0.33 -0.08 0.00 -2.44 0.00 0.00 57.07 55.27 2x93 s TYR 420 Cb -0.19 -2.39 -0.03 0.00 0.35 0.00 0.00 41.96 39.70 2x93 s TYR 420 CO 0.83 -0.03 0.09 0.08 -1.34 0.00 0.00 175.55 175.19 2x93 s VAL 421 N 1.37 4.42 -1.25 3.14 1.01 -1.26 -5.03 120.40 122.81 2x93 s VAL 421 Ca 0.11 -0.21 -0.06 0.00 0.00 0.00 0.00 61.98 61.82 2x93 s VAL 421 Cb -0.14 -3.11 0.18 0.00 0.00 0.00 0.00 36.38 33.30 2x93 s VAL 421 CO 0.07 0.28 2.02 -1.14 0.00 0.00 0.00 175.10 176.32 2x93 n ARG 422 N 4.94 4.25 -1.86 2.72 0.63 -1.26 -4.74 116.66 121.35 2x93 n ARG 422 Ca -0.16 -3.72 -0.27 0.00 -0.92 0.00 0.00 57.85 52.78 2x93 n ARG 422 Cb 0.51 -2.72 0.19 0.00 0.45 0.00 0.00 32.46 30.88 2x93 n ARG 422 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 2x93 n ASP 423 N 2.40 0.21 0.04 6.15 3.85 -1.26 -4.83 116.55 123.10 2x93 n ASP 423 Ca 0.47 -1.51 0.05 0.00 -0.71 0.00 0.00 54.79 53.09 2x93 n ASP 423 Cb 0.31 -0.93 0.47 0.00 -1.35 0.00 0.00 41.12 39.61 2x93 n ASP 423 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 2x93 h ASP 424 N -1.56 0.39 0.01 -1.12 3.45 -1.99 -1.68 116.42 113.92 2x93 h ASP 424 Ca -0.40 -0.01 -0.23 0.00 0.43 0.00 0.00 57.03 56.83 2x93 h ASP 424 Cb 1.13 -0.09 0.02 0.00 -0.56 0.00 0.00 39.33 39.82 2x93 h ASP 424 CO 0.29 0.28 -0.89 -0.33 -1.57 0.00 0.00 179.24 177.02 2x93 h GLU 425 N 0.45 0.58 -0.75 3.56 5.08 -1.96 -2.59 114.58 118.96 2x93 h GLU 425 Ca 0.14 -0.64 -0.01 0.00 -1.00 0.00 0.00 59.36 57.85 2x93 h GLU 425 Cb -0.01 0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 2x93 h GLU 425 CO -0.03 1.25 0.44 0.00 -1.00 0.00 0.00 179.01 179.67 2x93 h ALA 426 N 0.36 1.38 -0.70 3.43 0.00 -1.80 -1.94 119.26 119.98 2x93 h ALA 426 Ca -0.11 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 2x93 h ALA 426 Cb 1.57 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 2x93 h ALA 426 CO 0.17 0.54 0.27 -0.09 0.00 0.00 0.00 179.25 180.14 2x93 h ARG 427 N 1.03 1.06 -0.53 0.00 2.43 -1.28 -1.88 114.38 115.22 2x93 h ARG 427 Ca 0.27 -0.20 -0.06 0.00 -0.81 0.00 0.00 59.98 59.18 2x93 h ARG 427 Cb -0.03 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.33 2x93 h ARG 427 CO -0.05 0.89 0.09 0.82 -1.51 0.00 0.00 179.97 180.20 2x93 h ILE 428 N 1.01 1.25 -0.79 1.20 1.08 -1.18 -0.45 117.51 119.64 2x93 h ILE 428 Ca 0.23 -0.94 0.08 0.00 -0.39 0.00 0.00 64.86 63.84 2x93 h ILE 428 Cb 0.23 0.85 -0.07 0.00 -3.07 0.00 0.00 36.82 34.76 2x93 h ILE 428 CO -0.02 0.34 0.45 0.78 -0.69 0.00 0.00 178.15 179.02 2x93 h ASN 429 N 0.75 0.67 -0.15 1.72 2.35 -1.14 0.36 115.58 120.14 2x93 h ASN 429 Ca 0.16 0.04 -0.19 0.00 -0.55 0.00 0.00 56.30 55.76 2x93 h ASN 429 Cb 0.40 -0.09 0.01 0.00 0.05 0.00 0.00 38.32 38.68 2x93 h ASN 429 CO 0.01 0.40 -0.63 -0.61 -1.65 0.00 0.00 177.43 174.95 2x93 h GLN 430 N 0.79 0.69 -0.68 0.81 5.75 -1.09 -0.33 115.11 121.06 2x93 h GLN 430 Ca 0.37 -0.54 -0.02 0.00 -0.15 0.00 0.00 58.65 58.30 2x93 h GLN 430 Cb 0.28 0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.90 2x93 h GLN 430 CO -0.22 1.16 0.34 -0.07 -2.65 0.00 0.00 178.83 177.40 2x93 h LEU 431 N 0.39 0.88 -0.35 -2.39 3.38 -0.96 -1.19 115.31 115.08 2x93 h LEU 431 Ca -0.04 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 2x93 h LEU 431 Cb 1.26 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 2x93 h LEU 431 CO 0.13 0.76 0.08 0.15 0.09 0.00 0.00 178.44 179.64 2x93 h PHE 432 N 0.95 0.60 -0.61 1.13 3.04 -0.85 -0.82 116.94 120.37 2x93 h PHE 432 Ca 0.24 -0.07 0.06 0.00 3.98 0.00 0.00 57.97 62.17 2x93 h PHE 432 Cb 0.10 -0.17 -0.06 0.00 2.56 0.00 0.00 35.95 38.38 2x93 h PHE 432 CO 0.00 0.61 0.31 1.25 -2.02 0.00 0.00 178.31 178.46 2x93 h LEU 433 N 0.41 0.44 -0.53 0.59 5.85 -0.90 -0.35 115.31 120.83 2x93 h LEU 433 Ca 0.11 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 2x93 h LEU 433 Cb 0.32 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 2x93 h LEU 433 CO 0.00 0.28 0.21 0.74 -0.34 0.00 0.00 178.44 179.34 2x93 h THR 434 N 0.58 1.22 -0.43 1.05 2.02 -1.04 -3.01 112.91 113.30 2x93 h THR 434 Ca 0.28 -0.68 -0.03 0.00 0.77 0.00 0.00 66.41 66.75 2x93 h THR 434 Cb 0.21 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 2x93 h THR 434 CO -0.20 0.26 0.12 0.00 0.37 0.00 0.00 175.52 176.06 2x93 h ALA 435 N 1.06 1.41 -0.02 6.16 0.00 -0.57 0.23 119.26 127.53 2x93 h ALA 435 Ca 0.18 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.93 2x93 h ALA 435 Cb 0.20 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2x93 h ALA 435 CO -0.01 0.43 0.04 -0.07 0.00 0.00 0.00 179.25 179.64 2x93 h LEU 436 N 0.61 0.00 0.00 0.00 3.38 -0.94 -1.23 115.31 117.14 2x93 h LEU 436 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2x93 h LEU 436 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2x93 h LEU 436 CO -0.01 0.00 -0.56 -0.67 0.09 0.00 0.00 178.44 177.30 2x93 n ASP 437 N -3.49 1.48 0.03 -0.43 -0.08 -0.66 -1.00 116.55 112.40 2x93 n ASP 437 Ca -0.02 0.44 -0.14 0.00 -1.51 0.00 0.00 54.79 53.56 2x93 n ASP 437 Cb 0.12 -0.76 -0.03 0.00 2.34 0.00 0.00 41.12 42.80 2x93 n ASP 437 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 2x93 h LYS 438 N -0.79 0.56 0.08 -0.67 1.79 -0.43 -2.71 116.57 114.39 2x93 h LYS 438 Ca 0.00 -0.49 -0.21 0.00 -2.18 0.00 0.00 60.65 57.77 2x93 h LYS 438 Cb 0.56 0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.31 2x93 h LYS 438 CO 0.00 1.12 -1.05 0.82 -1.08 0.00 0.00 179.45 179.25 2x93 h ILE 439 N 0.36 1.21 -0.90 1.86 1.08 -1.45 -3.37 117.51 116.31 2x93 h ILE 439 Ca -0.06 -2.37 0.15 0.00 -0.39 0.00 0.00 64.86 62.20 2x93 h ILE 439 Cb 1.42 2.81 -0.07 0.00 -3.07 0.00 0.00 36.82 37.91 2x93 h ILE 439 CO 0.15 0.62 0.58 0.58 -0.69 0.00 0.00 178.15 179.38 2x93 h VAL 440 N -0.56 0.82 0.00 1.67 2.07 -1.57 -1.88 116.25 116.80 2x93 h VAL 440 Ca -0.24 -0.23 -0.05 0.00 0.82 0.00 0.00 66.70 67.00 2x93 h VAL 440 Cb 1.53 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 2x93 h VAL 440 CO 0.01 0.12 -0.24 0.15 0.02 0.00 0.00 177.57 177.63 2x93 h PHE 441 N 0.67 0.00 0.17 1.57 3.57 -1.48 -3.34 116.94 118.10 2x93 h PHE 441 Ca 0.45 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.95 2x93 h PHE 441 Cb 0.76 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.50 2x93 h PHE 441 CO -0.00 0.24 -0.08 -0.07 -2.23 0.00 0.00 178.31 176.17 2x93 h LEU 442 N 0.00 -0.20 -1.05 0.59 3.38 -1.49 0.73 115.31 117.27 2x93 h LEU 442 Ca -0.00 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 2x93 h LEU 442 Cb 0.50 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 2x93 h LEU 442 CO 0.03 -0.08 -0.15 1.55 0.09 0.00 0.00 178.44 179.88 2x93 h PRO 443 N -0.30 0.50 0.20 1.13 0.13 -1.75 -2.31 132.00 129.61 2x93 h PRO 443 Ca -0.02 -0.15 0.01 0.00 -0.87 0.00 0.00 66.00 64.96 2x93 h PRO 443 Cb 0.23 -0.05 -0.03 0.00 0.13 0.00 0.00 31.00 31.28 2x93 h PRO 443 CO 0.04 0.64 -0.28 0.35 -0.23 0.00 0.00 178.00 178.52 2x93 h PHE 444 N 0.46 -0.76 -0.91 1.56 3.57 -1.57 -1.87 116.94 117.42 2x93 h PHE 444 Ca 0.08 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.62 2x93 h PHE 444 Cb 0.53 0.31 -0.05 0.00 2.79 0.00 0.00 35.95 39.53 2x93 h PHE 444 CO 0.02 -0.40 0.60 0.00 -2.23 0.00 0.00 178.31 176.30 2x93 h ALA 445 N 0.11 1.19 -0.71 2.41 0.00 -0.78 -2.19 119.26 119.28 2x93 h ALA 445 Ca 0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2x93 h ALA 445 Cb 0.53 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2x93 h ALA 445 CO -0.11 0.50 0.36 0.35 0.00 0.00 0.00 179.25 180.35 2x93 h PHE 446 N 1.19 1.01 -0.17 0.00 3.04 -1.27 -3.00 116.94 117.74 2x93 h PHE 446 Ca 0.35 -0.04 -0.07 0.00 3.98 0.00 0.00 57.97 62.19 2x93 h PHE 446 Cb -0.06 -0.32 -0.01 0.00 2.56 0.00 0.00 35.95 38.12 2x93 h PHE 446 CO -0.01 0.74 -0.21 1.79 -2.02 0.00 0.00 178.31 178.60 2x93 h THR 447 N 0.99 1.23 -0.45 4.41 1.35 -0.72 -0.77 112.91 118.94 2x93 h THR 447 Ca 0.25 -1.05 0.04 0.00 -0.55 0.00 0.00 66.41 65.10 2x93 h THR 447 Cb 0.10 1.34 -0.04 0.00 -1.73 0.00 0.00 68.15 67.81 2x93 h THR 447 CO -0.03 0.32 0.22 0.24 -0.25 0.00 0.00 175.52 176.02 2x93 h MET 448 N 0.26 0.43 0.04 4.72 2.86 -1.32 -0.32 114.93 121.60 2x93 h MET 448 Ca 0.05 -0.03 -0.27 0.00 -2.06 0.00 0.00 59.70 57.39 2x93 h MET 448 Cb 0.53 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.06 2x93 h MET 448 CO 0.04 0.28 -1.46 -0.44 1.06 0.00 0.00 176.91 176.39 2x93 h ASP 449 N 0.44 0.12 -0.79 1.22 3.45 -1.60 -3.00 116.42 116.27 2x93 h ASP 449 Ca 0.20 -0.19 0.09 0.00 0.43 0.00 0.00 57.03 57.56 2x93 h ASP 449 Cb 0.11 -0.04 -0.07 0.00 -0.56 0.00 0.00 39.33 38.77 2x93 h ASP 449 CO -0.14 1.16 0.44 0.11 -1.57 0.00 0.00 179.24 179.24 2x93 h LYS 450 N 0.02 0.72 0.67 3.56 1.57 -1.04 0.35 116.57 122.42 2x93 h LYS 450 Ca -0.20 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.51 2x93 h LYS 450 Cb 1.94 -0.16 0.01 0.00 0.08 0.00 0.00 32.23 34.10 2x93 h LYS 450 CO 0.12 0.48 -0.32 -0.92 -0.57 0.00 0.00 179.45 178.23 2x93 h TYR 451 N 0.74 -0.83 -0.59 -1.35 3.20 -1.14 -1.97 116.97 115.03 2x93 h TYR 451 Ca 0.38 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.18 2x93 h TYR 451 Cb 0.36 0.28 -0.03 0.00 1.54 0.00 0.00 36.73 38.88 2x93 h TYR 451 CO -0.07 -0.50 0.17 0.00 -1.64 0.00 0.00 178.16 176.12 2x93 h ARG 452 N -0.98 0.90 -0.68 1.82 3.08 -1.36 -2.18 114.38 114.98 2x93 h ARG 452 Ca -0.09 -0.18 0.04 0.00 0.07 0.00 0.00 59.98 59.82 2x93 h ARG 452 Cb 0.71 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.58 2x93 h ARG 452 CO 0.15 0.79 0.41 -1.49 -1.07 0.00 0.00 179.97 178.76 2x93 h TRP 453 N 0.87 0.76 -0.54 3.04 6.55 -0.30 0.37 115.95 126.70 2x93 h TRP 453 Ca 0.19 0.02 -0.05 0.00 0.95 0.00 0.00 58.89 60.01 2x93 h TRP 453 Cb 0.28 -0.24 -0.03 0.00 -0.86 0.00 0.00 29.16 28.31 2x93 h TRP 453 CO 0.02 0.40 0.15 0.66 -1.05 0.00 0.00 178.44 178.62 2x93 h SER 454 N 0.78 0.75 -0.08 -3.49 4.64 -0.75 -0.16 113.55 115.25 2x93 h SER 454 Ca 0.29 -0.13 -0.04 0.00 -0.47 0.00 0.00 61.79 61.44 2x93 h SER 454 Cb 0.09 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 61.99 2x93 h SER 454 CO -0.14 0.73 -0.09 -0.07 -0.87 0.00 0.00 176.83 176.39 2x93 h LEU 455 N 0.79 0.22 -0.77 5.97 3.38 -1.02 0.09 115.31 123.96 2x93 h LEU 455 Ca 0.18 -0.50 0.09 0.00 0.09 0.00 0.00 57.88 57.73 2x93 h LEU 455 Cb 0.27 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 40.88 2x93 h LEU 455 CO -0.00 0.68 0.42 -0.26 0.09 0.00 0.00 178.44 179.37 2x93 h PHE 456 N -0.24 0.77 0.00 1.13 0.05 -0.74 -2.15 116.94 115.76 2x93 h PHE 456 Ca 0.01 0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.83 2x93 h PHE 456 Cb 0.62 -0.23 0.00 0.00 2.00 0.00 0.00 35.95 38.34 2x93 h PHE 456 CO 0.10 0.31 0.00 0.54 -0.18 0.00 0.00 178.31 179.08 2x93 n ARG 457 N -4.78 0.39 -2.11 1.51 1.74 -0.09 -4.61 116.66 108.71 2x93 n ARG 457 Ca 0.12 0.03 -0.06 0.00 -0.77 0.00 0.00 57.85 57.17 2x93 n ARG 457 Cb 0.26 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 30.20 2x93 n ARG 457 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2x93 n GLY 458 N 1.05 0.13 0.09 -0.13 0.00 -0.81 -4.95 105.19 100.57 2x93 n GLY 458 Ca 0.13 -0.65 0.12 0.00 0.00 0.00 0.00 46.02 45.62 2x93 n GLY 458 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2x93 h GLU 459 N -0.00 0.00 -5.26 1.61 5.08 -1.20 -3.45 114.58 111.36 2x93 h GLU 459 Ca -0.14 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.55 2x93 h GLU 459 Cb 1.10 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 30.02 2x93 h GLU 459 CO 0.16 0.00 -0.87 0.08 -1.00 0.00 0.00 179.01 177.38 2x93 s VAL 460 N -3.23 2.05 0.43 3.13 1.01 -1.24 -5.04 120.40 117.51 2x93 s VAL 460 Ca 0.04 -0.99 -0.25 0.00 0.00 0.00 0.00 61.98 60.78 2x93 s VAL 460 Cb 0.12 -1.80 -0.08 0.00 0.00 0.00 0.00 36.38 34.62 2x93 s VAL 460 CO 0.74 0.55 1.25 -1.81 0.00 0.00 0.00 175.10 175.83 2x93 s ASP 461 N 0.61 6.24 0.43 3.32 1.01 -1.26 -4.91 116.67 122.10 2x93 s ASP 461 Ca -0.12 2.52 0.20 0.00 0.71 0.00 0.00 52.55 55.85 2x93 s ASP 461 Cb -0.17 -2.62 1.15 0.00 1.01 0.00 0.00 42.92 42.28 2x93 s ASP 461 CO 0.03 -0.89 1.84 0.11 0.21 0.00 0.00 175.17 176.47 2x93 h LYS 462 N 2.43 0.34 0.00 8.23 1.57 -1.99 0.19 116.57 127.33 2x93 h LYS 462 Ca -0.49 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 2x93 h LYS 462 Cb 1.25 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.48 2x93 h LYS 462 CO 0.62 0.22 0.00 0.00 -0.57 0.00 0.00 179.45 179.72 2x93 n ALA 463 N -2.54 1.36 -0.05 3.86 0.00 -1.26 -2.95 120.51 118.93 2x93 n ALA 463 Ca 0.21 0.14 0.02 0.00 0.00 0.00 0.00 53.44 53.81 2x93 n ALA 463 Cb 0.79 -1.35 0.05 0.00 0.00 0.00 0.00 19.45 18.94 2x93 n ALA 463 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2x93 n ASN 464 N -2.24 2.29 -0.20 0.00 5.03 0.67 -4.83 115.26 115.98 2x93 n ASN 464 Ca 0.00 -1.97 -0.02 0.00 0.87 0.00 0.00 54.58 53.46 2x93 n ASN 464 Cb 0.13 -0.08 0.19 0.00 -1.02 0.00 0.00 39.78 39.01 2x93 n ASN 464 CO 0.00 0.00 0.00 -0.50 -1.83 0.00 0.00 177.26 174.93 2x93 h TRP 465 N 0.71 0.96 0.01 3.10 4.06 -1.51 -1.60 115.95 121.69 2x93 h TRP 465 Ca 0.00 -0.04 -0.16 0.00 2.06 0.00 0.00 58.89 60.76 2x93 h TRP 465 Cb 0.57 -0.30 0.01 0.00 -1.00 0.00 0.00 29.16 28.44 2x93 h TRP 465 CO 0.08 0.70 -0.62 -0.97 -3.56 0.00 0.00 178.44 174.07 2x93 h ASN 466 N 0.97 0.52 1.02 -3.49 -1.24 -1.86 -3.08 115.58 108.42 2x93 h ASN 466 Ca 0.24 -0.78 -0.04 0.00 0.71 0.00 0.00 56.30 56.43 2x93 h ASN 466 Cb 0.10 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 38.98 2x93 h ASN 466 CO -0.03 1.24 -0.20 0.00 -1.29 0.00 0.00 177.43 177.15 2x93 h ALA 468 N 1.80 1.53 0.40 0.00 0.00 -1.33 0.93 119.26 122.59 2x93 h ALA 468 Ca -0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2x93 h ALA 468 Cb 0.76 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2x93 h ALA 468 CO 0.03 0.36 -0.19 0.35 0.00 0.00 0.00 179.25 179.79 2x93 h PHE 469 N 0.48 -0.49 0.00 0.00 3.57 -1.28 -2.99 116.94 116.22 2x93 h PHE 469 Ca 0.11 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.55 2x93 h PHE 469 Cb 0.18 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 2x93 h PHE 469 CO 0.01 -0.17 -0.24 -1.49 -2.23 0.00 0.00 178.31 174.18 2x93 h TRP 470 N -0.88 0.00 -0.64 0.41 4.06 -1.38 -2.29 115.95 115.23 2x93 h TRP 470 Ca -0.05 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.88 2x93 h TRP 470 Cb 0.55 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.68 2x93 h TRP 470 CO 0.02 0.24 0.36 0.87 -3.56 0.00 0.00 178.44 176.37 2x93 h LYS 471 N 0.00 0.89 -0.26 0.49 1.57 -0.85 -1.01 116.57 117.39 2x93 h LYS 471 Ca -0.00 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.63 2x93 h LYS 471 Cb 0.47 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 2x93 h LYS 471 CO 0.03 0.67 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.50 2x93 h LEU 472 N 0.87 0.47 -1.32 2.94 3.38 -1.29 -0.26 115.31 120.10 2x93 h LEU 472 Ca 0.23 -0.32 0.04 0.00 0.09 0.00 0.00 57.88 57.92 2x93 h LEU 472 Cb 0.03 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 2x93 h LEU 472 CO -0.04 0.67 0.49 0.03 0.09 0.00 0.00 178.44 179.68 2x93 h ARG 473 N 0.25 0.84 0.67 1.13 2.47 -1.32 -0.87 114.38 117.55 2x93 h ARG 473 Ca 0.07 -0.05 -0.03 0.00 -1.26 0.00 0.00 59.98 58.71 2x93 h ARG 473 Cb 0.44 -0.19 0.01 0.00 -1.65 0.00 0.00 29.97 28.58 2x93 h ARG 473 CO 0.02 0.56 -0.32 0.22 0.56 0.00 0.00 179.97 181.00 2x93 h ASP 474 N 0.87 -0.77 -0.65 7.04 -0.00 -1.07 -1.88 116.42 119.96 2x93 h ASP 474 Ca 0.30 0.02 0.09 0.00 -0.00 0.00 0.00 57.03 57.43 2x93 h ASP 474 Cb 0.10 0.20 -0.07 0.00 -0.00 0.00 0.00 39.33 39.56 2x93 h ASP 474 CO -0.09 -0.38 0.30 -0.08 -0.00 0.00 0.00 179.24 178.98 2x93 h GLU 475 N -1.22 0.50 0.10 0.28 4.81 -0.73 -0.96 114.58 117.36 2x93 h GLU 475 Ca -0.09 -0.03 -0.36 0.00 -0.13 0.00 0.00 59.36 58.75 2x93 h GLU 475 Cb 0.70 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.95 2x93 h GLU 475 CO 0.15 0.33 -2.00 0.66 -0.73 0.00 0.00 179.01 177.43 2x93 n TYR 476 N -4.91 1.08 0.03 0.92 4.01 -0.36 -4.61 117.16 113.31 2x93 n TYR 476 Ca 0.09 0.25 0.09 0.00 -0.16 0.00 0.00 57.90 58.17 2x93 n TYR 476 Cb 0.26 -1.14 -0.14 0.00 -0.31 0.00 0.00 39.34 38.01 2x93 n TYR 476 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2x93 n SER 477 N -3.56 0.88 -2.28 7.72 7.64 -0.75 -4.84 113.62 118.44 2x93 n SER 477 Ca -0.34 -0.04 -0.16 0.00 1.01 0.00 0.00 58.87 59.34 2x93 n SER 477 Cb 1.01 1.79 0.03 0.00 -1.01 0.00 0.00 64.21 66.03 2x93 n SER 477 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2x93 n GLY 478 N 1.48 -0.13 3.43 0.23 0.00 -0.36 -4.96 105.19 104.88 2x93 n GLY 478 Ca -0.03 -0.12 -0.22 0.00 0.00 0.00 0.00 46.02 45.65 2x93 n GLY 478 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2x93 s ILE 479 N -3.04 1.97 0.08 -0.61 -5.25 -1.23 -1.16 121.20 111.97 2x93 s ILE 479 Ca 0.26 -2.23 -0.15 0.00 -0.99 0.00 0.00 60.65 57.54 2x93 s ILE 479 Cb -0.11 -2.33 0.03 0.00 2.95 0.00 0.00 42.46 42.99 2x93 s ILE 479 CO 0.32 -0.39 0.34 -1.83 -1.79 0.00 0.00 174.94 171.59 2x93 s GLU 480 N -3.63 0.93 0.74 0.37 -1.05 -0.73 -3.72 118.70 111.62 2x93 s GLU 480 Ca 0.28 -0.63 -0.15 0.00 -0.15 0.00 0.00 54.97 54.32 2x93 s GLU 480 Cb 0.00 0.41 0.04 0.00 -0.44 0.00 0.00 34.13 34.14 2x93 s GLU 480 CO 0.12 -0.33 1.17 -2.30 0.95 0.00 0.00 175.26 174.87 2x93 n PRO 481 N 0.15 0.52 0.24 -4.83 -0.02 -1.26 -1.01 135.00 128.79 2x93 n PRO 481 Ca -0.17 0.24 0.12 0.00 -2.02 0.00 0.00 63.50 61.67 2x93 n PRO 481 Cb 0.62 -2.41 0.50 0.00 -0.02 0.00 0.00 33.50 32.18 2x93 n PRO 481 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2x93 h PRO 482 N -0.36 0.00 -5.30 0.52 0.13 -1.95 -3.44 132.00 121.60 2x93 h PRO 482 Ca -0.48 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.25 2x93 h PRO 482 Cb 1.32 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.31 2x93 h PRO 482 CO 0.48 0.15 -0.70 0.14 -0.23 0.00 0.00 178.00 177.84 2x93 s VAL 483 N -3.62 1.40 0.06 1.56 -7.23 -1.26 -5.08 120.40 106.23 2x93 s VAL 483 Ca 0.01 -2.11 -0.31 0.00 -1.81 0.00 0.00 61.98 57.76 2x93 s VAL 483 Cb 0.09 -2.14 -0.07 0.00 0.56 0.00 0.00 36.38 34.82 2x93 s VAL 483 CO 0.61 -0.52 1.52 -0.69 -0.31 0.00 0.00 175.10 175.71 2x93 s VAL 484 N -3.18 3.26 0.36 1.32 1.01 -1.26 -4.91 120.40 117.00 2x93 s VAL 484 Ca 0.24 0.76 0.08 0.00 0.00 0.00 0.00 61.98 63.05 2x93 s VAL 484 Cb 0.03 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 2x93 s VAL 484 CO 0.06 0.01 0.19 -0.13 0.00 0.00 0.00 175.10 175.24 2x93 s ARG 485 N 2.15 2.41 0.13 2.72 1.81 0.13 -5.01 118.95 123.30 2x93 s ARG 485 Ca 0.69 -1.55 -0.01 0.00 -1.72 0.00 0.00 55.73 53.14 2x93 s ARG 485 Cb -0.37 -2.21 0.00 0.00 -0.45 0.00 0.00 34.95 31.93 2x93 s ARG 485 CO 0.30 0.05 0.18 -1.13 -0.68 0.00 0.00 175.30 174.02 2x93 n SER 486 N -1.23 -0.50 0.00 0.23 3.41 -1.26 -0.51 113.62 113.77 2x93 n SER 486 Ca -0.02 -1.68 0.10 0.00 -0.26 0.00 0.00 58.87 57.01 2x93 n SER 486 Cb 0.61 0.92 0.52 0.00 -0.26 0.00 0.00 64.21 66.00 2x93 n SER 486 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2x93 n GLU 487 N -0.21 0.35 0.21 4.33 -0.58 -1.25 -1.53 120.64 121.96 2x93 n GLU 487 Ca 0.00 0.08 0.09 0.00 -0.42 0.00 0.00 57.16 56.91 2x93 n GLU 487 Cb 0.21 -1.50 0.36 0.00 -0.57 0.00 0.00 31.44 29.94 2x93 n GLU 487 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2x93 h LYS 488 N 0.00 0.00 -6.37 3.49 1.57 -1.95 -3.45 116.57 109.86 2x93 h LYS 488 Ca 0.00 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 58.32 2x93 h LYS 488 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 2x93 h LYS 488 CO 0.00 0.26 -0.30 -0.51 -0.57 0.00 0.00 179.45 178.32 2x93 s ASP 489 N -6.23 6.18 -0.28 0.86 1.11 -0.58 -5.04 116.67 112.69 2x93 s ASP 489 Ca 0.02 0.16 -0.02 0.00 0.18 0.00 0.00 52.55 52.89 2x93 s ASP 489 Cb 0.09 -1.75 0.12 0.00 1.07 0.00 0.00 42.92 42.46 2x93 s ASP 489 CO 0.66 -0.28 0.25 0.12 1.18 0.00 0.00 175.17 177.09 2x93 s PHE 490 N -2.19 -0.25 -0.09 4.23 5.36 -1.26 -4.73 117.98 119.06 2x93 s PHE 490 Ca 0.40 -0.33 0.21 0.00 -0.96 0.00 0.00 56.93 56.25 2x93 s PHE 490 Cb -0.09 -0.57 -0.25 0.00 -0.34 0.00 0.00 43.02 41.77 2x93 s PHE 490 CO 0.33 -0.88 0.57 -0.25 -1.46 0.00 0.00 175.22 173.53 2x93 n ASP 491 N 5.30 0.22 -0.19 6.13 8.00 -1.26 -0.69 116.55 134.05 2x93 n ASP 491 Ca -0.03 0.09 -0.00 0.00 0.71 0.00 0.00 54.79 55.55 2x93 n ASP 491 Cb 0.45 1.47 0.10 0.00 -0.02 0.00 0.00 41.12 43.12 2x93 n ASP 491 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2x93 h ALA 492 N 1.85 0.74 0.00 2.24 0.00 -1.94 -2.00 119.26 120.14 2x93 h ALA 492 Ca -0.07 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2x93 h ALA 492 Cb 1.18 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2x93 h ALA 492 CO 0.01 -0.23 0.00 -2.30 0.00 0.00 0.00 179.25 176.73 2x93 n PRO 493 N -5.03 0.23 0.06 0.00 -0.02 -1.26 -1.99 135.00 126.98 2x93 n PRO 493 Ca 0.08 0.14 0.07 0.00 -2.02 0.00 0.00 63.50 61.77 2x93 n PRO 493 Cb 0.28 -1.50 0.32 0.00 -0.02 0.00 0.00 33.50 32.58 2x93 n PRO 493 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2x93 n ALA 494 N -1.28 1.34 -2.71 3.55 0.00 -0.75 -4.04 120.51 116.62 2x93 n ALA 494 Ca 0.07 0.05 -0.37 0.00 0.00 0.00 0.00 53.44 53.19 2x93 n ALA 494 Cb 0.12 -1.22 -0.07 0.00 0.00 0.00 0.00 19.45 18.28 2x93 n ALA 494 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2x93 s LYS 495 N -3.18 4.25 0.19 0.00 2.47 -0.84 -4.91 119.74 117.71 2x93 s LYS 495 Ca 0.02 0.20 -0.21 0.00 -1.56 0.00 0.00 55.97 54.43 2x93 s LYS 495 Cb 0.06 -3.46 0.12 0.00 -1.46 0.00 0.00 37.83 33.09 2x93 s LYS 495 CO 0.20 0.14 1.58 -0.92 0.16 0.00 0.00 175.35 176.51 2x93 h TYR 496 N 6.89 -0.95 0.00 4.03 3.20 -1.89 -1.28 116.97 126.97 2x93 h TYR 496 Ca -0.40 0.07 -0.01 0.00 3.14 0.00 0.00 58.73 61.54 2x93 h TYR 496 Cb 1.17 0.51 -0.00 0.00 1.54 0.00 0.00 36.73 39.94 2x93 h TYR 496 CO 0.63 -0.39 -0.04 0.45 -1.64 0.00 0.00 178.16 177.17 2x93 h HIS 497 N -0.16 0.00 -0.03 -3.82 3.86 -1.92 0.26 115.15 113.34 2x93 h HIS 497 Ca 0.23 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.27 2x93 h HIS 497 Cb 0.55 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.04 2x93 h HIS 497 CO -0.65 0.04 -0.66 0.82 0.86 0.00 0.00 177.93 178.33 2x93 h ILE 498 N 0.00 1.38 -0.26 2.45 2.04 -1.51 0.43 117.51 122.05 2x93 h ILE 498 Ca -0.00 -2.04 -0.08 0.00 1.00 0.00 0.00 64.86 63.74 2x93 h ILE 498 Cb 0.07 2.43 -0.01 0.00 -0.74 0.00 0.00 36.82 38.57 2x93 h ILE 498 CO 0.00 0.61 -0.19 0.28 0.00 0.00 0.00 178.15 178.85 2x93 h SER 499 N 0.07 0.45 -0.21 1.72 0.02 -0.92 -3.20 113.55 111.48 2x93 h SER 499 Ca -0.07 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 2x93 h SER 499 Cb 1.34 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.76 2x93 h SER 499 CO 0.13 0.65 0.00 0.00 -1.14 0.00 0.00 176.83 176.48 2x93 n ALA 500 N -2.48 2.49 -3.58 3.77 0.00 0.83 -3.80 120.51 117.74 2x93 n ALA 500 Ca -0.00 -0.68 -0.23 0.00 0.00 0.00 0.00 53.44 52.53 2x93 n ALA 500 Cb 0.36 -1.00 0.05 0.00 0.00 0.00 0.00 19.45 18.86 2x93 n ALA 500 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2x93 n ASP 501 N 0.79 -3.98 -4.27 0.00 4.64 -0.60 -4.99 116.55 108.14 2x93 n ASP 501 Ca 0.17 -0.86 -0.34 0.00 -1.38 0.00 0.00 54.79 52.38 2x93 n ASP 501 Cb 0.45 -4.13 -0.15 0.00 -1.04 0.00 0.00 41.12 36.25 2x93 n ASP 501 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 2x93 s VAL 502 N -3.52 2.97 0.34 5.18 1.01 0.04 -5.05 120.40 121.37 2x93 s VAL 502 Ca 0.28 -0.64 -0.28 0.00 0.00 0.00 0.00 61.98 61.34 2x93 s VAL 502 Cb -0.07 -2.31 -0.12 0.00 0.00 0.00 0.00 36.38 33.87 2x93 s VAL 502 CO 0.81 0.47 1.27 1.21 0.00 0.00 0.00 175.10 178.86 2x93 n GLU 503 N 4.56 2.08 -0.00 2.72 0.00 -1.26 -4.65 120.64 124.08 2x93 n GLU 503 Ca -0.19 0.73 0.06 0.00 0.00 0.00 0.00 57.16 57.76 2x93 n GLU 503 Cb 0.51 -2.31 -0.09 0.00 0.00 0.00 0.00 31.44 29.55 2x93 n GLU 503 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 2x93 n TYR 504 N 0.30 0.00 0.13 4.31 9.36 -1.26 -4.56 117.16 125.43 2x93 n TYR 504 Ca 0.05 0.00 0.10 0.00 3.32 0.00 0.00 57.90 61.37 2x93 n TYR 504 Cb 0.36 -0.22 0.59 0.00 -0.63 0.00 0.00 39.34 39.44 2x93 n TYR 504 CO 0.00 0.00 0.00 1.25 0.22 0.00 0.00 176.86 178.33 2x93 h LEU 505 N 0.00 0.13 -1.21 2.98 5.85 -1.92 -0.63 115.31 120.50 2x93 h LEU 505 Ca 0.00 -0.00 0.34 0.00 0.84 0.00 0.00 57.88 59.06 2x93 h LEU 505 Cb 0.51 -0.03 -0.13 0.00 0.37 0.00 0.00 40.66 41.38 2x93 h LEU 505 CO 0.00 0.09 0.68 0.08 -0.34 0.00 0.00 178.44 178.95 2x93 h ARG 506 N 0.15 0.28 0.03 1.25 0.11 -1.89 -0.54 114.38 113.77 2x93 h ARG 506 Ca 0.10 -0.02 -0.22 0.00 0.10 0.00 0.00 59.98 59.95 2x93 h ARG 506 Cb 0.22 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.23 2x93 h ARG 506 CO -0.02 0.18 -0.99 1.88 0.10 0.00 0.00 179.97 181.13 2x93 h TYR 507 N 0.28 0.35 -0.22 4.08 0.05 -1.43 -0.50 116.97 119.58 2x93 h TYR 507 Ca 0.72 -0.21 -0.03 0.00 0.05 0.00 0.00 58.73 59.26 2x93 h TYR 507 Cb 1.87 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 39.57 2x93 h TYR 507 CO -0.01 1.07 0.04 1.25 -1.05 0.00 0.00 178.16 179.46 2x93 h LEU 508 N 0.10 0.36 -0.36 3.88 5.85 -1.25 -1.46 115.31 122.43 2x93 h LEU 508 Ca -0.07 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.42 2x93 h LEU 508 Cb 1.66 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.56 2x93 h LEU 508 CO 0.15 0.53 0.20 0.58 -0.34 0.00 0.00 178.44 179.56 2x93 h VAL 509 N 0.17 1.01 -0.34 1.05 2.07 -1.16 -2.74 116.25 116.32 2x93 h VAL 509 Ca 0.07 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.50 2x93 h VAL 509 Cb 0.32 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.62 2x93 h VAL 509 CO 0.00 0.07 0.05 -1.28 0.02 0.00 0.00 177.57 176.44 2x93 h SER 510 N 0.40 -0.02 0.35 0.57 0.87 -0.99 0.29 113.55 115.02 2x93 h SER 510 Ca 0.15 0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.73 2x93 h SER 510 Cb 0.03 0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 62.07 2x93 h SER 510 CO -0.09 0.03 -0.16 -0.26 -0.53 0.00 0.00 176.83 175.82 2x93 h PHE 511 N 0.17 0.00 0.07 2.24 0.05 -1.07 0.16 116.94 118.55 2x93 h PHE 511 Ca 0.16 0.00 -0.00 0.00 3.82 0.00 0.00 57.97 61.95 2x93 h PHE 511 Cb 0.19 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.14 2x93 h PHE 511 CO -0.19 0.16 -0.03 0.82 -0.18 0.00 0.00 178.31 178.89 2x93 h ILE 512 N 0.00 0.75 0.00 -0.55 2.04 -1.15 -3.40 117.51 115.21 2x93 h ILE 512 Ca -0.00 -1.41 -0.07 0.00 1.00 0.00 0.00 64.86 64.38 2x93 h ILE 512 Cb 0.38 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 2x93 h ILE 512 CO 0.02 0.24 -0.32 0.16 0.00 0.00 0.00 178.15 178.25 2x93 h ILE 513 N -0.97 0.70 -0.08 -0.67 3.07 -0.73 -2.98 117.51 115.84 2x93 h ILE 513 Ca -0.01 -1.46 0.01 0.00 1.55 0.00 0.00 64.86 64.95 2x93 h ILE 513 Cb 0.46 1.95 -0.00 0.00 -0.27 0.00 0.00 36.82 38.96 2x93 h ILE 513 CO 0.01 0.31 0.06 0.06 -1.05 0.00 0.00 178.15 177.55 2x93 h GLN 514 N 0.00 0.07 -0.00 0.16 3.07 -0.89 -0.67 115.11 116.85 2x93 h GLN 514 Ca -0.00 -0.00 -0.17 0.00 0.09 0.00 0.00 58.65 58.56 2x93 h GLN 514 Cb 0.93 -0.01 -0.02 0.00 0.08 0.00 0.00 27.48 28.45 2x93 h GLN 514 CO 0.04 0.04 -0.80 0.74 0.09 0.00 0.00 178.83 178.95 2x93 h PHE 515 N 0.07 0.01 -0.31 0.06 0.04 -1.72 0.13 116.94 115.21 2x93 h PHE 515 Ca 0.03 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.76 2x93 h PHE 515 Cb 0.05 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.19 2x93 h PHE 515 CO -0.00 0.80 0.07 1.96 -0.60 0.00 0.00 178.31 180.54 2x93 h GLN 516 N 0.00 0.50 -0.41 1.51 4.20 -1.34 -1.00 115.11 118.58 2x93 h GLN 516 Ca -0.01 -0.13 -0.05 0.00 0.06 0.00 0.00 58.65 58.53 2x93 h GLN 516 Cb 1.41 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 29.11 2x93 h GLN 516 CO 0.10 0.59 0.07 0.74 -0.67 0.00 0.00 178.83 179.66 2x93 h PHE 517 N 0.34 0.71 -0.11 2.96 0.05 -1.08 -2.62 116.94 117.20 2x93 h PHE 517 Ca 0.10 -0.10 -0.01 0.00 3.82 0.00 0.00 57.97 61.78 2x93 h PHE 517 Cb 0.31 -0.20 -0.00 0.00 2.00 0.00 0.00 35.95 38.06 2x93 h PHE 517 CO 0.02 0.69 0.03 -0.92 -0.18 0.00 0.00 178.31 177.95 2x93 h TYR 518 N 0.52 0.17 -0.45 -0.55 3.20 -0.74 0.59 116.97 119.72 2x93 h TYR 518 Ca 0.12 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.03 2x93 h TYR 518 Cb 0.36 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.53 2x93 h TYR 518 CO 0.02 0.33 0.16 -0.22 -1.64 0.00 0.00 178.16 176.81 2x93 h LYS 519 N -0.03 0.32 -0.25 1.82 3.64 -1.23 0.44 116.57 121.28 2x93 h LYS 519 Ca 0.03 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 2x93 h LYS 519 Cb 0.24 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 2x93 h LYS 519 CO -0.00 0.21 -0.08 0.77 -2.27 0.00 0.00 179.45 178.09 2x93 h SER 520 N 0.33 0.51 -0.81 4.20 0.02 -1.35 -1.34 113.55 115.11 2x93 h SER 520 Ca 0.21 -0.38 -0.00 0.00 -0.84 0.00 0.00 61.79 60.78 2x93 h SER 520 Cb 0.21 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.57 2x93 h SER 520 CO -0.21 0.77 0.51 0.00 -1.14 0.00 0.00 176.83 176.75 2x93 h ALA 521 N 0.75 1.36 -0.47 3.77 0.00 -0.72 -0.92 119.26 123.03 2x93 h ALA 521 Ca 0.06 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 2x93 h ALA 521 Cb 0.56 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2x93 h ALA 521 CO 0.03 0.56 -0.14 0.00 0.00 0.00 0.00 179.25 179.71 2x93 h ILE 523 N 0.77 1.18 -0.62 0.00 2.04 -0.96 0.15 117.51 120.07 2x93 h ILE 523 Ca 0.12 -0.55 0.01 0.00 1.00 0.00 0.00 64.86 65.43 2x93 h ILE 523 Cb 0.69 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 2x93 h ILE 523 CO 0.05 0.19 0.41 0.11 0.00 0.00 0.00 178.15 178.91 2x93 h LYS 524 N 0.32 0.81 0.00 2.37 1.57 -1.12 -2.11 116.57 118.41 2x93 h LYS 524 Ca 0.10 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2x93 h LYS 524 Cb 0.19 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.32 2x93 h LYS 524 CO -0.01 0.54 0.00 0.00 -0.57 0.00 0.00 179.45 179.41 2x93 n ALA 525 N -2.44 2.34 -1.35 3.86 0.00 -0.41 -4.76 120.51 117.74 2x93 n ALA 525 Ca 0.06 -0.11 -0.07 0.00 0.00 0.00 0.00 53.44 53.32 2x93 n ALA 525 Cb 0.05 -1.46 -0.02 0.00 0.00 0.00 0.00 19.45 18.01 2x93 n ALA 525 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x93 n GLY 526 N 1.27 0.75 0.01 0.00 0.00 -0.79 -4.93 105.19 101.49 2x93 n GLY 526 Ca 0.10 -0.73 0.11 0.00 0.00 0.00 0.00 46.02 45.49 2x93 n GLY 526 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2x93 n GLN 527 N -2.60 0.14 -3.94 1.61 1.13 0.49 -4.88 117.38 109.33 2x93 n GLN 527 Ca -0.07 -0.03 -0.22 0.00 -1.94 0.00 0.00 57.00 54.74 2x93 n GLN 527 Cb 0.27 -1.52 -0.17 0.00 0.11 0.00 0.00 30.24 28.94 2x93 n GLN 527 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 2x93 s TYR 528 N -3.10 0.77 -0.12 1.08 5.04 -1.02 -4.51 117.35 115.49 2x93 s TYR 528 Ca 0.05 -0.24 -0.02 0.00 -2.44 0.00 0.00 57.07 54.42 2x93 s TYR 528 Cb 0.16 -0.79 0.04 0.00 0.35 0.00 0.00 41.96 41.72 2x93 s TYR 528 CO 0.85 -0.29 0.03 0.34 -1.34 0.00 0.00 175.55 175.14 2x93 s ASP 529 N 1.52 2.07 0.45 4.32 3.68 -1.09 -4.45 116.67 123.17 2x93 s ASP 529 Ca -0.01 -0.38 0.31 0.00 2.13 0.00 0.00 52.55 54.60 2x93 s ASP 529 Cb -0.13 -0.43 1.58 0.00 -1.45 0.00 0.00 42.92 42.48 2x93 s ASP 529 CO -0.03 -0.26 1.93 1.55 0.13 0.00 0.00 175.17 178.49 2x93 h PRO 530 N 8.33 0.00 -0.42 4.34 0.13 -1.99 -1.73 132.00 140.65 2x93 h PRO 530 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 2x93 h PRO 530 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2x93 h PRO 530 CO 0.28 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.80 2x93 n ASP 531 N -2.61 3.28 -4.10 1.44 8.00 -1.26 -4.88 116.55 116.43 2x93 n ASP 531 Ca -0.01 -1.94 -0.33 0.00 0.71 0.00 0.00 54.79 53.22 2x93 n ASP 531 Cb 0.10 -0.28 -0.16 0.00 -0.02 0.00 0.00 41.12 40.77 2x93 n ASP 531 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2x93 s ASN 532 N -1.17 3.64 0.54 -2.24 3.84 -0.65 -5.01 114.94 113.90 2x93 s ASN 532 Ca 0.34 -0.94 0.25 0.00 0.21 0.00 0.00 52.86 52.72 2x93 s ASN 532 Cb 0.19 -1.50 1.52 0.00 -0.55 0.00 0.00 41.25 40.91 2x93 s ASN 532 CO 0.26 -0.08 2.15 1.62 -2.79 0.00 0.00 177.10 178.26 2x93 h VAL 533 N 6.27 0.69 -0.00 -5.21 3.04 -1.90 -2.29 116.25 116.86 2x93 h VAL 533 Ca -0.35 -0.25 0.00 0.00 -1.01 0.00 0.00 66.70 65.09 2x93 h VAL 533 Cb 1.10 1.15 0.00 0.00 -2.01 0.00 0.00 31.29 31.53 2x93 h VAL 533 CO 0.57 0.06 -0.10 -0.62 -1.01 0.00 0.00 177.57 176.46 2x93 n GLU 534 N -3.95 0.06 -3.26 4.17 -0.58 -1.26 -4.19 120.64 111.63 2x93 n GLU 534 Ca -0.03 -0.01 -0.26 0.00 -0.42 0.00 0.00 57.16 56.44 2x93 n GLU 534 Cb 0.15 -1.50 -0.07 0.00 -0.57 0.00 0.00 31.44 29.46 2x93 n GLU 534 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2x93 n LEU 535 N -1.46 3.16 -4.82 -4.62 4.77 -0.86 -5.08 117.00 108.08 2x93 n LEU 535 Ca 0.08 -5.35 -0.33 0.00 -0.03 0.00 0.00 56.01 50.37 2x93 n LEU 535 Cb 0.33 -0.34 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 2x93 n LEU 535 CO 0.28 2.15 0.64 -2.16 -1.33 0.00 0.00 177.39 176.97 2x93 s PRO 536 N -2.50 4.19 0.34 3.23 0.04 -1.26 -2.65 135.00 136.38 2x93 s PRO 536 Ca 0.41 1.08 0.02 0.00 0.04 0.00 0.00 61.00 62.55 2x93 s PRO 536 Cb 0.20 -2.19 0.60 0.00 0.04 0.00 0.00 34.50 33.15 2x93 s PRO 536 CO -0.06 -0.05 1.99 1.25 0.04 0.00 0.00 177.00 180.17 2x93 h LEU 537 N 1.81 0.75 0.00 -3.56 5.85 -1.93 -2.57 115.31 115.67 2x93 h LEU 537 Ca -0.49 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.20 2x93 h LEU 537 Cb 1.18 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.02 2x93 h LEU 537 CO 0.61 0.56 0.00 -0.90 -0.34 0.00 0.00 178.44 178.37 2x93 n ASP 538 N -4.42 0.00 -0.36 1.25 5.75 -1.26 -2.44 116.55 115.06 2x93 n ASP 538 Ca 0.06 -0.75 0.06 0.00 -0.01 0.00 0.00 54.79 54.15 2x93 n ASP 538 Cb 0.06 0.00 0.09 0.00 -1.03 0.00 0.00 41.12 40.24 2x93 n ASP 538 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2x93 n ASN 539 N -0.97 1.40 -4.72 -1.12 5.15 -0.97 -4.82 115.26 109.22 2x93 n ASN 539 Ca 0.16 -2.73 -0.42 0.00 -0.60 0.00 0.00 54.58 51.00 2x93 n ASN 539 Cb 0.07 -0.35 -0.03 0.00 -0.53 0.00 0.00 39.78 38.94 2x93 n ASN 539 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2x93 s ASP 541 N 0.62 3.24 0.00 0.00 3.68 -1.26 -4.48 116.67 118.46 2x93 s ASP 541 Ca 0.54 -0.75 0.19 0.00 2.13 0.00 0.00 52.55 54.65 2x93 s ASP 541 Cb -0.28 -1.36 0.55 0.00 -1.45 0.00 0.00 42.92 40.39 2x93 s ASP 541 CO 0.31 -0.07 1.44 2.30 0.13 0.00 0.00 175.17 179.28 2x93 n ILE 542 N 4.65 0.44 -1.66 4.11 -5.35 -1.26 -4.95 119.36 115.33 2x93 n ILE 542 Ca -0.18 -0.55 -0.44 0.00 -0.27 0.00 0.00 62.75 61.32 2x93 n ILE 542 Cb 0.48 0.48 -0.02 0.00 -1.74 0.00 0.00 39.64 38.85 2x93 n ILE 542 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2x93 n TYR 543 N 0.80 2.03 -0.90 4.28 9.36 -1.26 -1.94 117.16 129.53 2x93 n TYR 543 Ca 0.17 0.54 0.00 0.00 3.32 0.00 0.00 57.90 61.93 2x93 n TYR 543 Cb 0.42 -2.40 0.00 0.00 -0.63 0.00 0.00 39.34 36.73 2x93 n TYR 543 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2x93 n GLY 544 N 1.40 0.64 3.46 2.98 0.00 -1.24 -4.98 105.19 107.44 2x93 n GLY 544 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 2x93 n GLY 544 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2x93 s SER 545 N -2.54 6.23 0.39 1.61 0.15 -0.82 -4.73 113.70 114.00 2x93 s SER 545 Ca 0.00 -0.89 0.12 0.00 0.70 0.00 0.00 55.95 55.88 2x93 s SER 545 Cb 0.00 -2.37 0.80 0.00 -1.71 0.00 0.00 66.02 62.73 2x93 s SER 545 CO 0.00 -1.21 1.89 0.00 1.20 0.00 0.00 173.24 175.11 2x93 h ALA 546 N 9.31 1.49 -0.39 5.45 0.00 -1.77 -1.88 119.26 131.47 2x93 h ALA 546 Ca -0.28 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 2x93 h ALA 546 Cb 1.08 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2x93 h ALA 546 CO 1.10 0.38 0.10 0.00 0.00 0.00 0.00 179.25 180.82 2x93 h ALA 547 N 1.67 0.51 -0.51 0.00 0.00 -1.90 0.10 119.26 119.13 2x93 h ALA 547 Ca 0.01 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 2x93 h ALA 547 Cb 0.51 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2x93 h ALA 547 CO 0.04 0.18 -0.12 0.00 0.00 0.00 0.00 179.25 179.34 2x93 h ALA 548 N 0.95 0.81 -0.73 0.00 0.00 -1.80 -2.93 119.26 115.56 2x93 h ALA 548 Ca 0.12 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.70 2x93 h ALA 548 Cb 0.30 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 2x93 h ALA 548 CO 0.00 0.66 0.48 0.78 0.00 0.00 0.00 179.25 181.17 2x93 h GLY 549 N 0.94 1.02 0.96 0.00 0.00 -1.08 -2.53 103.07 102.38 2x93 h GLY 549 Ca 0.13 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 2x93 h GLY 549 CO 0.05 0.34 0.20 0.00 0.00 0.00 0.00 176.54 177.13 2x93 h ALA 550 N 1.56 0.57 -0.50 3.60 0.00 -0.62 1.00 119.26 124.87 2x93 h ALA 550 Ca 0.28 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.08 2x93 h ALA 550 Cb -0.03 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 2x93 h ALA 550 CO -0.07 0.14 0.32 0.00 0.00 0.00 0.00 179.25 179.64 2x93 h ALA 551 N 1.04 0.63 -0.50 0.00 0.00 -1.39 -0.42 119.26 118.62 2x93 h ALA 551 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2x93 h ALA 551 Cb 0.14 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2x93 h ALA 551 CO -0.02 0.04 0.31 0.74 0.00 0.00 0.00 179.25 180.33 2x93 h PHE 552 N 0.64 0.65 -0.35 0.00 0.04 -1.20 -2.19 116.94 114.53 2x93 h PHE 552 Ca 0.19 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.97 2x93 h PHE 552 Cb -0.04 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 37.88 2x93 h PHE 552 CO -0.05 0.43 0.23 1.25 -0.60 0.00 0.00 178.31 179.57 2x93 h HIS 553 N 0.67 0.44 -0.84 -0.55 2.76 -0.47 0.11 115.15 117.27 2x93 h HIS 553 Ca 0.18 0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.43 2x93 h HIS 553 Cb -0.03 -0.15 -0.06 0.00 1.55 0.00 0.00 27.41 28.72 2x93 h HIS 553 CO -0.03 0.29 0.55 -0.91 -1.30 0.00 0.00 177.93 176.52 2x93 h ASN 554 N 0.47 0.79 0.00 3.26 2.35 -0.92 -2.26 115.58 119.26 2x93 h ASN 554 Ca 0.13 0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.81 2x93 h ASN 554 Cb -0.04 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.16 2x93 h ASN 554 CO -0.03 0.50 -0.46 -0.03 -1.65 0.00 0.00 177.43 175.76 2x93 h MET 555 N 0.89 0.00 -0.14 0.81 4.05 -1.09 -3.39 114.93 116.06 2x93 h MET 555 Ca 0.37 0.00 -0.10 0.00 -0.28 0.00 0.00 59.70 59.69 2x93 h MET 555 Cb 0.28 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.07 2x93 h MET 555 CO -0.14 0.85 -0.34 -0.07 0.23 0.00 0.00 176.91 177.44 2x93 h LEU 556 N -1.00 0.29 -2.47 3.39 3.38 -0.79 -2.61 115.31 115.50 2x93 h LEU 556 Ca -0.12 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 2x93 h LEU 556 Cb 0.98 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 2x93 h LEU 556 CO -0.07 0.63 -0.01 0.77 0.09 0.00 0.00 178.44 179.84 2x93 h SER 557 N 0.25 0.00 0.99 -0.43 4.64 -1.57 -2.20 113.55 115.23 2x93 h SER 557 Ca 0.03 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.31 2x93 h SER 557 Cb 0.73 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.82 2x93 h SER 557 CO 0.06 0.01 -0.19 0.24 -0.87 0.00 0.00 176.83 176.08 2x93 h MET 558 N 0.00 0.00 0.00 4.77 2.86 -1.65 -3.42 114.93 117.49 2x93 h MET 558 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2x93 h MET 558 Cb 0.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.83 2x93 h MET 558 CO 0.00 0.19 0.00 0.41 1.06 0.00 0.00 176.91 178.57 2x93 n GLY 559 N 0.19 3.11 1.49 8.32 0.00 -0.83 -1.34 105.19 116.14 2x93 n GLY 559 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 2x93 n GLY 559 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x93 n ALA 560 N 9.74 4.08 0.26 4.61 0.00 -0.18 -3.33 120.51 135.68 2x93 n ALA 560 Ca 0.00 -2.54 0.12 0.00 0.00 0.00 0.00 53.44 51.02 2x93 n ALA 560 Cb 0.00 -0.98 0.70 0.00 0.00 0.00 0.00 19.45 19.17 2x93 n ALA 560 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2x93 h SER 561 N 1.98 0.00 -4.29 0.00 4.64 -1.42 -3.44 113.55 111.01 2x93 h SER 561 Ca 0.19 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.16 2x93 h SER 561 Cb 1.94 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.85 2x93 h SER 561 CO 0.52 0.13 -0.74 -0.54 -0.87 0.00 0.00 176.83 175.33 2x93 s LYS 562 N -4.17 0.89 0.57 4.77 -0.14 -1.26 -5.00 119.74 115.40 2x93 s LYS 562 Ca -0.03 -1.17 -0.20 0.00 -1.36 0.00 0.00 55.97 53.21 2x93 s LYS 562 Cb 0.13 -0.63 -0.05 0.00 -1.68 0.00 0.00 37.83 35.59 2x93 s LYS 562 CO 0.59 0.11 1.03 -2.30 -0.76 0.00 0.00 175.35 174.01 2x93 n PRO 563 N 0.57 1.06 0.22 -1.68 -0.02 -1.26 -4.77 135.00 129.11 2x93 n PRO 563 Ca -0.16 0.40 0.12 0.00 -2.02 0.00 0.00 63.50 61.85 2x93 n PRO 563 Cb 0.57 -2.21 0.71 0.00 -0.02 0.00 0.00 33.50 32.56 2x93 n PRO 563 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 2x93 h TRP 564 N 0.75 0.00 0.00 6.00 5.08 -1.92 -0.60 115.95 125.26 2x93 h TRP 564 Ca -0.48 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 59.47 2x93 h TRP 564 Cb 1.35 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.51 2x93 h TRP 564 CO 0.39 0.00 -0.08 -1.35 -1.28 0.00 0.00 178.44 176.12 2x93 h PRO 565 N 0.00 0.00 -0.01 0.12 0.11 -1.90 -0.44 132.00 129.88 2x93 h PRO 565 Ca 0.05 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.01 2x93 h PRO 565 Cb 0.23 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.32 2x93 h PRO 565 CO -0.00 0.08 -0.71 -0.44 -0.21 0.00 0.00 178.00 176.72 2x93 h ASP 566 N 0.00 0.08 -0.17 -2.05 3.45 -1.44 -1.56 116.42 114.73 2x93 h ASP 566 Ca -0.00 -0.05 -0.19 0.00 0.43 0.00 0.00 57.03 57.22 2x93 h ASP 566 Cb 0.19 -0.02 0.01 0.00 -0.56 0.00 0.00 39.33 38.95 2x93 h ASP 566 CO 0.01 0.76 -0.62 0.00 -1.57 0.00 0.00 179.24 177.82 2x93 h ALA 567 N 1.24 0.30 -0.59 3.45 0.00 -1.25 -2.08 119.26 120.33 2x93 h ALA 567 Ca -0.01 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 2x93 h ALA 567 Cb 1.26 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 2x93 h ALA 567 CO 0.10 0.57 0.27 1.25 0.00 0.00 0.00 179.25 181.44 2x93 h LEU 568 N 0.42 0.78 -1.24 0.00 5.85 -1.16 -2.92 115.31 117.05 2x93 h LEU 568 Ca -0.03 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.57 2x93 h LEU 568 Cb 1.25 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 42.04 2x93 h LEU 568 CO 0.13 0.71 0.52 -0.08 -0.34 0.00 0.00 178.44 179.38 2x93 h GLU 569 N 0.81 1.00 0.00 1.25 4.81 -0.01 -1.18 114.58 121.26 2x93 h GLU 569 Ca 0.20 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.34 2x93 h GLU 569 Cb 0.14 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 2x93 h GLU 569 CO -0.02 0.66 -0.17 0.00 -0.73 0.00 0.00 179.01 178.75 2x93 h ALA 570 N 1.52 1.44 0.00 2.92 0.00 -1.22 0.36 119.26 124.28 2x93 h ALA 570 Ca 0.30 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2x93 h ALA 570 Cb -0.04 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 2x93 h ALA 570 CO -0.08 0.21 -0.02 0.35 0.00 0.00 0.00 179.25 179.71 2x93 h PHE 571 N 0.00 0.00 0.00 0.00 3.57 -1.06 -3.42 116.94 116.03 2x93 h PHE 571 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2x93 h PHE 571 Cb 0.36 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.10 2x93 h PHE 571 CO 0.00 0.49 -0.00 0.27 -2.23 0.00 0.00 178.31 176.83 2x93 n ASN 572 N -4.69 0.18 0.00 0.41 6.94 -0.72 -4.82 115.26 112.55 2x93 n ASN 572 Ca -0.05 -1.10 0.00 0.00 -0.02 0.00 0.00 54.58 53.41 2x93 n ASN 572 Cb 0.24 -0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.66 2x93 n ASN 572 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2x93 n GLY 573 N -0.05 1.04 3.94 4.83 0.00 0.11 -5.00 105.19 110.06 2x93 n GLY 573 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 2x93 n GLY 573 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x93 s GLU 574 N -0.14 3.50 0.00 1.61 2.02 -1.26 -4.82 118.70 119.62 2x93 s GLU 574 Ca 0.00 -0.35 0.00 0.00 0.02 0.00 0.00 54.97 54.64 2x93 s GLU 574 Cb 0.00 -2.72 0.00 0.00 0.10 0.00 0.00 34.13 31.51 2x93 s GLU 574 CO 0.00 0.23 0.28 0.54 0.02 0.00 0.00 175.26 176.34 2x93 n ARG 575 N -1.46 -0.54 -5.21 1.61 1.74 -1.26 -1.03 116.66 110.52 2x93 n ARG 575 Ca -0.05 -0.29 -0.31 0.00 -0.77 0.00 0.00 57.85 56.43 2x93 n ARG 575 Cb 0.56 -0.78 -0.17 0.00 -1.02 0.00 0.00 32.46 31.05 2x93 n ARG 575 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2x93 s ILE 576 N -0.01 2.00 0.01 0.55 1.01 -1.26 -4.68 121.20 118.82 2x93 s ILE 576 Ca 0.00 -1.02 -0.30 0.00 0.00 0.00 0.00 60.65 59.33 2x93 s ILE 576 Cb 0.00 -1.71 -0.06 0.00 0.01 0.00 0.00 42.46 40.70 2x93 s ILE 576 CO 0.00 0.55 1.47 -0.32 0.00 0.00 0.00 174.94 176.64 2x93 s MET 577 N 0.05 4.26 -0.01 2.79 -2.45 -1.26 -5.01 119.30 117.67 2x93 s MET 577 Ca -0.10 2.05 -0.00 0.00 -1.25 0.00 0.00 55.69 56.39 2x93 s MET 577 Cb -0.15 -3.60 0.01 0.00 1.25 0.00 0.00 34.83 32.33 2x93 s MET 577 CO 0.06 -0.63 0.02 0.45 1.05 0.00 0.00 175.02 175.97 2x93 s SER 578 N 2.08 -0.01 0.00 1.11 0.15 -1.26 -5.02 113.70 110.75 2x93 s SER 578 Ca 0.66 0.04 0.22 0.00 0.70 0.00 0.00 55.95 57.57 2x93 s SER 578 Cb -0.33 0.02 1.11 0.00 -1.71 0.00 0.00 66.02 65.10 2x93 s SER 578 CO 0.28 -0.02 1.74 0.61 1.20 0.00 0.00 173.24 177.04 2x93 n GLY 579 N 3.24 -0.50 0.21 9.45 0.00 -1.26 -4.25 105.19 112.09 2x93 n GLY 579 Ca -0.14 -0.26 -0.04 0.00 0.00 0.00 0.00 46.02 45.58 2x93 n GLY 579 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2x93 h LYS 580 N 0.93 0.49 -0.37 1.61 3.64 -1.96 -2.46 116.57 118.46 2x93 h LYS 580 Ca 0.00 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.24 2x93 h LYS 580 Cb 0.20 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 2x93 h LYS 580 CO 0.00 0.32 -0.20 0.00 -2.27 0.00 0.00 179.45 177.30 2x93 h ALA 581 N 1.29 0.53 -0.62 5.00 0.00 -1.89 -1.14 119.26 122.42 2x93 h ALA 581 Ca 0.23 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 2x93 h ALA 581 Cb 0.15 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2x93 h ALA 581 CO -0.17 0.48 0.09 0.97 0.00 0.00 0.00 179.25 180.62 2x93 h ILE 582 N 0.59 1.26 -0.46 0.00 2.10 -1.82 -1.92 117.51 117.25 2x93 h ILE 582 Ca 0.08 -1.03 -0.05 0.00 1.08 0.00 0.00 64.86 64.95 2x93 h ILE 582 Cb 0.76 0.73 -0.02 0.00 -1.09 0.00 0.00 36.82 37.19 2x93 h ILE 582 CO 0.06 0.38 0.09 0.00 -1.08 0.00 0.00 178.15 177.60 2x93 h ALA 583 N 1.02 1.29 -0.35 0.18 0.00 -1.31 -2.62 119.26 117.47 2x93 h ALA 583 Ca 0.19 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2x93 h ALA 583 Cb 0.45 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2x93 h ALA 583 CO 0.01 0.49 0.02 1.49 0.00 0.00 0.00 179.25 181.27 2x93 h GLU 584 N 0.68 0.61 -0.49 0.00 4.81 -0.96 -0.92 114.58 118.31 2x93 h GLU 584 Ca 0.15 -0.18 0.06 0.00 -0.13 0.00 0.00 59.36 59.25 2x93 h GLU 584 Cb 0.29 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.56 2x93 h GLU 584 CO 0.00 0.71 0.21 -0.92 -0.73 0.00 0.00 179.01 178.28 2x93 h TYR 585 N 0.43 0.38 -0.04 0.92 3.20 -1.13 -3.10 116.97 117.63 2x93 h TYR 585 Ca 0.10 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.99 2x93 h TYR 585 Cb 0.42 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.59 2x93 h TYR 585 CO 0.03 0.16 0.00 1.19 -1.64 0.00 0.00 178.16 177.90 2x93 n PHE 586 N -4.95 0.03 -0.20 -3.82 3.72 -1.01 -4.53 117.46 106.71 2x93 n PHE 586 Ca 0.05 -0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 2x93 n PHE 586 Cb 0.16 0.00 0.11 0.00 -0.94 0.00 0.00 39.48 38.81 2x93 n PHE 586 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 2x93 h GLU 587 N 3.45 0.29 -0.42 -1.08 4.57 -1.08 0.51 114.58 120.83 2x93 h GLU 587 Ca 0.00 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.19 2x93 h GLU 587 Cb 0.74 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.24 2x93 h GLU 587 CO 0.00 0.19 0.28 -1.00 -1.18 0.00 0.00 179.01 177.30 2x93 h PRO 588 N 0.30 0.47 -0.16 0.92 0.13 -1.82 -1.79 132.00 130.05 2x93 h PRO 588 Ca 0.31 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 65.38 2x93 h PRO 588 Cb 0.44 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.46 2x93 h PRO 588 CO -0.37 0.31 -0.03 1.25 -0.23 0.00 0.00 178.00 178.92 2x93 h LEU 589 N 0.48 0.31 -0.46 1.56 5.85 -1.30 -2.71 115.31 119.04 2x93 h LEU 589 Ca 0.16 -0.36 0.07 0.00 0.84 0.00 0.00 57.88 58.59 2x93 h LEU 589 Cb 0.07 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 40.96 2x93 h LEU 589 CO -0.04 0.60 0.12 -0.09 -0.34 0.00 0.00 178.44 178.69 2x93 h ARG 590 N 0.01 0.26 -0.07 1.25 2.43 -0.49 0.22 114.38 117.99 2x93 h ARG 590 Ca 0.04 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2x93 h ARG 590 Cb 0.46 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.95 2x93 h ARG 590 CO 0.01 0.17 0.04 0.28 -1.51 0.00 0.00 179.97 178.97 2x93 h VAL 591 N 0.27 1.02 -0.40 0.20 2.07 -1.38 -1.26 116.25 116.75 2x93 h VAL 591 Ca 0.22 -0.03 -0.04 0.00 0.82 0.00 0.00 66.70 67.67 2x93 h VAL 591 Cb 0.27 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 2x93 h VAL 591 CO -0.27 0.02 0.09 -0.25 0.02 0.00 0.00 177.57 177.18 2x93 h TRP 592 N 0.09 0.69 -0.34 1.57 7.01 -1.10 -3.03 115.95 120.83 2x93 h TRP 592 Ca 0.02 -0.09 -0.14 0.00 2.11 0.00 0.00 58.89 60.80 2x93 h TRP 592 Cb -0.01 -0.19 -0.01 0.00 -2.10 0.00 0.00 29.16 26.85 2x93 h TRP 592 CO -0.08 0.66 -0.32 1.25 -2.79 0.00 0.00 178.44 177.17 2x93 h LEU 593 N 0.51 0.87 -0.49 0.65 5.85 -0.49 0.06 115.31 122.27 2x93 h LEU 593 Ca 0.13 -0.46 0.06 0.00 0.84 0.00 0.00 57.88 58.44 2x93 h LEU 593 Cb 0.33 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 2x93 h LEU 593 CO 0.00 1.15 0.20 -0.33 -0.34 0.00 0.00 178.44 179.13 2x93 h GLU 594 N 0.60 0.38 -0.54 1.25 5.08 -1.29 0.26 114.58 120.33 2x93 h GLU 594 Ca 0.06 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.28 2x93 h GLU 594 Cb 0.90 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 2x93 h GLU 594 CO 0.08 0.25 -0.10 0.00 -1.00 0.00 0.00 179.01 178.25 2x93 h ALA 595 N 1.31 0.80 -0.61 3.43 0.00 -1.39 -2.50 119.26 120.29 2x93 h ALA 595 Ca 0.23 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 2x93 h ALA 595 Cb 0.21 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2x93 h ALA 595 CO -0.21 0.67 -0.00 1.49 0.00 0.00 0.00 179.25 181.19 2x93 h GLU 596 N 0.90 1.08 -0.55 0.00 4.57 -0.53 0.35 114.58 120.40 2x93 h GLU 596 Ca 0.14 -0.34 -0.08 0.00 -1.18 0.00 0.00 59.36 57.90 2x93 h GLU 596 Cb 0.66 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.13 2x93 h GLU 596 CO 0.05 1.05 0.04 -0.91 -1.18 0.00 0.00 179.01 178.05 2x93 h ASN 597 N 0.98 0.88 -0.30 1.04 2.35 -0.92 -1.70 115.58 117.91 2x93 h ASN 597 Ca 0.17 -0.21 -0.06 0.00 -0.55 0.00 0.00 56.30 55.65 2x93 h ASN 597 Cb 0.56 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 2x93 h ASN 597 CO 0.03 0.92 -0.03 0.40 -1.65 0.00 0.00 177.43 177.10 2x93 h ILE 598 N 0.86 1.27 -0.92 2.81 2.04 -1.26 0.13 117.51 122.44 2x93 h ILE 598 Ca 0.17 -1.02 0.12 0.00 1.00 0.00 0.00 64.86 65.13 2x93 h ILE 598 Cb 0.45 1.33 -0.08 0.00 -0.74 0.00 0.00 36.82 37.78 2x93 h ILE 598 CO 0.02 0.33 0.54 0.11 0.00 0.00 0.00 178.15 179.15 2x93 h LYS 599 N 0.33 0.82 -0.70 2.37 1.57 -0.71 -2.32 116.57 117.93 2x93 h LYS 599 Ca 0.08 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2x93 h LYS 599 Cb 0.49 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.62 2x93 h LYS 599 CO 0.02 0.55 0.00 0.09 -0.57 0.00 0.00 179.45 179.54 2x93 n ASN 600 N -4.71 4.16 -3.98 0.86 3.02 -0.66 -4.96 115.26 108.99 2x93 n ASN 600 Ca 0.17 -2.15 -0.29 0.00 -0.03 0.00 0.00 54.58 52.28 2x93 n ASN 600 Cb 0.35 -0.52 -0.00 0.00 -0.61 0.00 0.00 39.78 39.01 2x93 n ASN 600 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2x93 n ASN 601 N 1.46 -2.44 -4.70 6.41 5.15 -0.73 -4.88 115.26 115.54 2x93 n ASN 601 Ca 0.25 -0.92 -0.42 0.00 -0.60 0.00 0.00 54.58 52.89 2x93 n ASN 601 Cb 0.70 -3.35 -0.03 0.00 -0.53 0.00 0.00 39.78 36.58 2x93 n ASN 601 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2x93 s VAL 602 N -3.56 4.29 0.18 3.44 1.01 0.38 -5.00 120.40 121.13 2x93 s VAL 602 Ca 0.38 1.62 -0.30 0.00 0.00 0.00 0.00 61.98 63.67 2x93 s VAL 602 Cb -0.20 -4.04 -0.09 0.00 0.00 0.00 0.00 36.38 32.06 2x93 s VAL 602 CO 0.87 0.05 1.36 -2.28 0.00 0.00 0.00 175.10 175.10 2x93 s HIS 603 N 1.76 3.22 -0.06 5.22 2.46 -1.26 -4.88 115.29 121.73 2x93 s HIS 603 Ca 0.56 1.10 0.04 0.00 0.47 0.00 0.00 55.06 57.22 2x93 s HIS 603 Cb -0.25 -3.67 -0.02 0.00 -0.13 0.00 0.00 32.58 28.51 2x93 s HIS 603 CO 0.24 -2.19 -0.18 0.42 -2.47 0.00 0.00 174.74 170.57 2x93 s ILE 604 N 0.43 2.72 0.00 0.89 -1.09 -1.26 -4.63 121.20 118.25 2x93 s ILE 604 Ca 0.60 -0.83 0.00 0.00 -2.23 0.00 0.00 60.65 58.18 2x93 s ILE 604 Cb -0.38 -2.05 0.00 0.00 -1.58 0.00 0.00 42.46 38.45 2x93 s ILE 604 CO 0.36 0.57 0.00 0.61 -1.23 0.00 0.00 174.94 175.25 2x93 n GLY 605 N 2.70 0.35 3.27 6.18 0.00 -1.26 -5.09 105.19 111.34 2x93 n GLY 605 Ca -0.17 -1.95 -0.13 0.00 0.00 0.00 0.00 46.02 43.76 2x93 n GLY 605 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2x93 s TRP 606 N -1.47 -0.21 0.63 1.61 -2.14 -1.26 -4.79 118.94 111.32 2x93 s TRP 606 Ca 0.00 0.27 -0.13 0.00 2.66 0.00 0.00 56.10 58.91 2x93 s TRP 606 Cb 0.00 0.13 -0.02 0.00 -3.10 0.00 0.00 33.47 30.47 2x93 s TRP 606 CO 0.00 -0.44 1.04 0.95 -2.66 0.00 0.00 176.95 175.84 2x93 s THR 607 N -1.61 4.19 0.23 0.66 -4.23 -0.24 -4.94 115.64 109.69 2x93 s THR 607 Ca -0.11 0.82 -0.31 0.00 -1.18 0.00 0.00 61.69 60.91 2x93 s THR 607 Cb -0.04 -3.54 -0.11 0.00 1.34 0.00 0.00 72.50 70.16 2x93 s THR 607 CO 0.03 -0.82 1.56 -0.89 -0.54 0.00 0.00 174.62 173.96 2x93 s THR 608 N -2.89 2.40 0.55 3.99 2.01 -1.26 -4.19 115.64 116.25 2x93 s THR 608 Ca 0.59 0.32 -0.21 0.00 0.31 0.00 0.00 61.69 62.69 2x93 s THR 608 Cb -0.13 -3.20 -0.05 0.00 0.01 0.00 0.00 72.50 69.13 2x93 s THR 608 CO 0.48 0.04 1.33 -0.55 -0.69 0.00 0.00 174.62 175.23 2x93 s SER 609 N 0.74 5.29 -0.14 3.53 0.15 -1.26 -4.95 113.70 117.07 2x93 s SER 609 Ca 0.66 2.71 0.15 0.00 0.70 0.00 0.00 55.95 60.16 2x93 s SER 609 Cb -0.45 -2.63 0.49 0.00 -1.71 0.00 0.00 66.02 61.72 2x93 s SER 609 CO 0.39 -1.55 1.40 0.59 1.20 0.00 0.00 173.24 175.28 2x93 n ASN 610 N -1.06 3.76 -0.27 5.45 3.02 -1.26 -4.70 115.26 120.20 2x93 n ASN 610 Ca 0.11 -2.76 0.14 0.00 -0.03 0.00 0.00 54.58 52.04 2x93 n ASN 610 Cb 0.46 -0.48 0.54 0.00 -0.61 0.00 0.00 39.78 39.69 2x93 n ASN 610 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2x93 n LYS 611 N -0.18 1.09 -3.95 3.52 4.76 -1.26 -4.66 118.16 117.48 2x93 n LYS 611 Ca 0.19 -0.54 -0.30 0.00 -2.87 0.00 0.00 58.31 54.80 2x93 n LYS 611 Cb 0.79 -1.49 -0.16 0.00 -1.84 0.00 0.00 35.03 32.34 2x93 n LYS 611 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2x93 s VAL 613 N 1.46 4.79 -2.00 0.00 1.01 0.33 -4.97 120.40 121.02 2x93 s VAL 613 Ca -0.02 1.43 0.28 0.00 0.00 0.00 0.00 61.98 63.67 2x93 s VAL 613 Cb -0.17 -4.16 0.80 0.00 0.00 0.00 0.00 36.38 32.86 2x93 s VAL 613 CO -0.07 -0.18 2.03 -1.20 0.00 0.00 0.00 175.10 175.67