#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x95 h LEU 18 N 0.00 0.00 0.06 0.00 3.38 -2.00 -3.15 115.31 113.59 2x95 h LEU 18 Ca 0.00 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2x95 h LEU 18 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2x95 h LEU 18 CO 0.00 0.00 -0.03 0.58 0.09 0.00 0.00 178.44 179.08 2x95 h VAL 19 N 0.00 1.13 -0.30 1.22 2.07 -2.00 -1.78 116.25 116.59 2x95 h VAL 19 Ca 0.00 -0.61 -0.08 0.00 0.82 0.00 0.00 66.70 66.83 2x95 h VAL 19 Cb 0.95 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 32.23 2x95 h VAL 19 CO 0.00 0.15 -0.14 0.11 0.02 0.00 0.00 177.57 177.72 2x95 h LYS 20 N -0.35 0.52 -0.39 1.57 6.56 -2.01 -3.04 116.57 119.44 2x95 h LYS 20 Ca -0.01 -0.16 -0.16 0.00 -1.06 0.00 0.00 60.65 59.27 2x95 h LYS 20 Cb 0.31 -0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 31.91 2x95 h LYS 20 CO 0.01 0.65 -0.37 1.49 -2.06 0.00 0.00 179.45 179.17 2x95 h GLU 21 N 0.48 0.92 0.00 3.15 4.81 -1.50 -2.20 114.58 120.24 2x95 h GLU 21 Ca 0.09 -0.48 -0.05 0.00 -0.13 0.00 0.00 59.36 58.79 2x95 h GLU 21 Cb 0.52 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 2x95 h GLU 21 CO 0.03 1.13 -0.26 1.49 -0.73 0.00 0.00 179.01 180.68 2x95 h GLU 22 N 0.76 0.00 -0.18 1.92 4.81 -1.27 0.36 114.58 120.98 2x95 h GLU 22 Ca 0.07 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.16 2x95 h GLU 22 Cb 0.96 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.34 2x95 h GLU 22 CO 0.09 0.26 -0.44 0.82 -0.73 0.00 0.00 179.01 179.01 2x95 h ILE 23 N 0.00 1.33 -0.32 2.32 2.04 -1.41 -2.70 117.51 118.78 2x95 h ILE 23 Ca -0.00 -1.68 -0.10 0.00 1.00 0.00 0.00 64.86 64.07 2x95 h ILE 23 Cb 0.48 1.94 -0.01 0.00 -0.74 0.00 0.00 36.82 38.49 2x95 h ILE 23 CO 0.03 0.52 -0.23 1.56 0.00 0.00 0.00 178.15 180.04 2x95 h GLN 24 N 0.27 0.61 -0.65 2.37 4.20 -0.88 -2.98 115.11 118.04 2x95 h GLN 24 Ca -0.00 -0.23 -0.04 0.00 0.06 0.00 0.00 58.65 58.44 2x95 h GLN 24 Cb 1.05 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.76 2x95 h GLN 24 CO 0.09 0.79 0.27 0.00 -0.67 0.00 0.00 178.83 179.31 2x95 h ALA 25 N 1.22 0.85 -0.62 3.87 0.00 -0.32 -0.59 119.26 123.67 2x95 h ALA 25 Ca 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2x95 h ALA 25 Cb 0.68 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2x95 h ALA 25 CO 0.05 0.46 0.41 -0.22 0.00 0.00 0.00 179.25 179.95 2x95 h LYS 26 N 0.92 0.82 -0.62 0.00 3.64 -1.39 0.21 116.57 120.16 2x95 h LYS 26 Ca 0.22 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.46 2x95 h LYS 26 Cb 0.20 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 2x95 h LYS 26 CO -0.02 0.55 0.06 0.93 -2.27 0.00 0.00 179.45 178.70 2x95 h GLU 27 N 0.84 1.04 -0.63 1.90 5.08 -1.36 -1.99 114.58 119.46 2x95 h GLU 27 Ca 0.23 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2x95 h GLU 27 Cb -0.09 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.02 2x95 h GLU 27 CO -0.05 0.98 0.36 -0.92 -1.00 0.00 0.00 179.01 178.38 2x95 h TYR 28 N 0.96 0.85 -0.36 4.33 3.20 -0.61 -2.73 116.97 122.60 2x95 h TYR 28 Ca 0.19 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.96 2x95 h TYR 28 Cb 0.47 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 2x95 h TYR 28 CO 0.03 0.59 -0.11 -0.07 -1.64 0.00 0.00 178.16 176.97 2x95 h LEU 29 N 0.85 0.72 -0.43 2.82 3.38 -0.81 -1.48 115.31 120.36 2x95 h LEU 29 Ca 0.22 -0.38 0.04 0.00 0.09 0.00 0.00 57.88 57.86 2x95 h LEU 29 Cb 0.01 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 2x95 h LEU 29 CO -0.04 0.93 0.20 -0.33 0.09 0.00 0.00 178.44 179.29 2x95 h GLU 30 N 0.50 0.39 -0.25 1.13 5.08 -1.31 0.17 114.58 120.30 2x95 h GLU 30 Ca 0.09 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 2x95 h GLU 30 Cb 0.63 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2x95 h GLU 30 CO 0.04 0.26 -0.04 -0.97 -1.00 0.00 0.00 179.01 177.30 2x95 h ASN 31 N 0.40 0.47 -0.68 1.42 -1.24 -1.46 -3.00 115.58 111.50 2x95 h ASN 31 Ca 0.19 -0.35 -0.08 0.00 0.71 0.00 0.00 56.30 56.77 2x95 h ASN 31 Cb 0.12 -0.13 -0.03 0.00 0.73 0.00 0.00 38.32 39.02 2x95 h ASN 31 CO -0.15 0.71 0.11 0.25 -1.29 0.00 0.00 177.43 177.06 2x95 h LEU 32 N 0.22 1.08 -0.64 0.34 5.85 -1.06 -1.22 115.31 119.88 2x95 h LEU 32 Ca 0.07 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.54 2x95 h LEU 32 Cb 0.49 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 2x95 h LEU 32 CO 0.02 1.06 0.41 0.78 -0.34 0.00 0.00 178.44 180.37 2x95 h ASN 33 N 1.05 0.69 -0.63 1.25 2.35 -1.01 0.13 115.58 119.41 2x95 h ASN 33 Ca 0.21 -0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.87 2x95 h ASN 33 Cb 0.44 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.63 2x95 h ASN 33 CO 0.01 0.49 0.11 0.11 -1.65 0.00 0.00 177.43 176.51 2x95 h LYS 34 N 0.82 1.06 -0.63 0.81 1.57 -1.34 -1.27 116.57 117.58 2x95 h LYS 34 Ca 0.24 -0.27 -0.09 0.00 -1.87 0.00 0.00 60.65 58.66 2x95 h LYS 34 Cb -0.05 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 2x95 h LYS 34 CO -0.07 0.97 0.05 1.49 -0.57 0.00 0.00 179.45 181.31 2x95 h GLU 35 N 1.00 1.09 -0.49 3.15 4.81 -0.82 -2.52 114.58 120.79 2x95 h GLU 35 Ca 0.20 -0.32 -0.08 0.00 -0.13 0.00 0.00 59.36 59.03 2x95 h GLU 35 Cb 0.42 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 2x95 h GLU 35 CO 0.01 1.03 0.01 -0.07 -0.73 0.00 0.00 179.01 179.26 2x95 h LEU 36 N 1.00 0.84 -0.69 1.64 3.38 -0.45 -1.35 115.31 119.68 2x95 h LEU 36 Ca 0.18 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 57.87 2x95 h LEU 36 Cb 0.51 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 2x95 h LEU 36 CO 0.02 0.93 0.45 0.00 0.09 0.00 0.00 178.44 179.94 2x95 h ALA 37 N 0.93 0.88 -0.46 1.53 0.00 -1.21 -0.22 119.26 120.71 2x95 h ALA 37 Ca 0.14 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 2x95 h ALA 37 Cb 0.50 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2x95 h ALA 37 CO 0.02 0.27 -0.18 -0.22 0.00 0.00 0.00 179.25 179.14 2x95 h LYS 38 N 0.91 0.94 -0.24 0.00 1.63 -1.32 -0.98 116.57 117.51 2x95 h LYS 38 Ca 0.26 -0.39 -0.14 0.00 -0.85 0.00 0.00 60.65 59.53 2x95 h LYS 38 Cb -0.07 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.51 2x95 h LYS 38 CO -0.07 1.05 -0.42 0.00 -3.45 0.00 0.00 179.45 176.57 2x95 h ARG 39 N 0.78 0.58 -0.08 1.90 3.08 -1.11 -3.10 114.38 116.44 2x95 h ARG 39 Ca 0.11 -0.31 -0.14 0.00 0.07 0.00 0.00 59.98 59.71 2x95 h ARG 39 Cb 0.75 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.80 2x95 h ARG 39 CO 0.06 0.90 -0.58 1.15 -1.07 0.00 0.00 179.97 180.42 2x95 h THR 40 N 0.48 1.37 -0.46 2.04 2.02 -0.92 -2.79 112.91 114.65 2x95 h THR 40 Ca 0.04 -1.93 0.09 0.00 0.77 0.00 0.00 66.41 65.37 2x95 h THR 40 Cb 0.93 1.96 -0.07 0.00 -1.74 0.00 0.00 68.15 69.22 2x95 h THR 40 CO 0.08 0.57 0.00 -1.13 0.37 0.00 0.00 175.52 175.42 2x95 h ASN 41 N 0.20 -0.19 -0.31 4.18 -0.73 -1.11 0.21 115.58 117.84 2x95 h ASN 41 Ca -0.00 0.11 0.01 0.00 1.87 0.00 0.00 56.30 58.28 2x95 h ASN 41 Cb 1.08 0.19 -0.02 0.00 0.27 0.00 0.00 38.32 39.85 2x95 h ASN 41 CO 0.09 -0.06 0.19 0.58 -0.37 0.00 0.00 177.43 177.87 2x95 h VAL 42 N 0.12 1.06 -0.34 2.57 2.07 -1.47 -0.92 116.25 119.33 2x95 h VAL 42 Ca 0.23 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.61 2x95 h VAL 42 Cb 0.34 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 2x95 h VAL 42 CO -0.38 0.07 0.21 -0.08 0.02 0.00 0.00 177.57 177.41 2x95 h GLU 43 N 0.40 0.45 -0.82 1.57 4.81 -1.17 -2.62 114.58 117.20 2x95 h GLU 43 Ca 0.12 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 2x95 h GLU 43 Cb -0.02 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.22 2x95 h GLU 43 CO -0.04 0.33 0.40 1.15 -0.73 0.00 0.00 179.01 180.12 2x95 h THR 44 N 0.44 1.25 -0.55 0.32 2.02 -0.34 -1.00 112.91 115.06 2x95 h THR 44 Ca 0.12 -0.71 -0.00 0.00 0.77 0.00 0.00 66.41 66.59 2x95 h THR 44 Cb -0.01 0.20 -0.03 0.00 -1.74 0.00 0.00 68.15 66.57 2x95 h THR 44 CO -0.02 0.31 0.33 -0.33 0.37 0.00 0.00 175.52 176.17 2x95 h GLU 45 N 1.17 0.74 -0.62 6.66 4.39 -1.03 0.23 114.58 126.14 2x95 h GLU 45 Ca 0.28 -0.07 -0.07 0.00 0.34 0.00 0.00 59.36 59.85 2x95 h GLU 45 Cb 0.11 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.58 2x95 h GLU 45 CO -0.04 0.54 0.11 0.00 -1.16 0.00 0.00 179.01 178.47 2x95 h ALA 46 N 1.16 1.04 -0.44 3.43 0.00 -1.08 -0.87 119.26 122.50 2x95 h ALA 46 Ca 0.20 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 2x95 h ALA 46 Cb -0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2x95 h ALA 46 CO -0.04 0.62 -0.26 0.00 0.00 0.00 0.00 179.25 179.58 2x95 h ALA 47 N 1.18 0.71 -0.32 0.00 0.00 -0.81 -2.32 119.26 117.70 2x95 h ALA 47 Ca 0.19 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2x95 h ALA 47 Cb 0.39 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2x95 h ALA 47 CO 0.01 0.67 0.16 2.35 0.00 0.00 0.00 179.25 182.43 2x95 h TRP 48 N 0.79 0.46 -0.38 0.00 2.91 -0.39 -1.50 115.95 117.85 2x95 h TRP 48 Ca 0.10 -0.02 -0.02 0.00 1.13 0.00 0.00 58.89 60.07 2x95 h TRP 48 Cb 0.83 -0.14 -0.02 0.00 -0.51 0.00 0.00 29.16 29.31 2x95 h TRP 48 CO 0.05 0.40 0.15 0.00 -1.03 0.00 0.00 178.44 178.00 2x95 h ALA 49 N 1.02 1.54 -0.02 2.65 0.00 -1.07 -0.96 119.26 122.43 2x95 h ALA 49 Ca 0.11 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 2x95 h ALA 49 Cb 0.11 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.74 2x95 h ALA 49 CO -0.01 0.35 -0.44 -0.92 0.00 0.00 0.00 179.25 178.23 2x95 h TYR 50 N 0.54 0.48 0.00 0.00 3.20 -1.27 -2.53 116.97 117.38 2x95 h TYR 50 Ca 0.13 -0.25 -0.04 0.00 3.14 0.00 0.00 58.73 61.71 2x95 h TYR 50 Cb 0.12 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 2x95 h TYR 50 CO 0.01 1.04 -0.20 0.78 -1.64 0.00 0.00 178.16 178.15 2x95 h GLY 51 N -0.22 0.00 1.22 1.82 0.00 -1.08 -2.18 103.07 102.64 2x95 h GLY 51 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.28 2x95 h GLY 51 CO 0.09 0.00 -0.51 1.44 0.00 0.00 0.00 176.54 177.56 2x95 n SER 52 N -4.00 0.59 -2.86 0.19 7.64 -0.38 -1.14 113.62 113.66 2x95 n SER 52 Ca -0.02 0.07 -0.02 0.00 1.01 0.00 0.00 58.87 59.90 2x95 n SER 52 Cb 0.28 0.08 0.01 0.00 -1.01 0.00 0.00 64.21 63.57 2x95 n SER 52 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2x95 s ASN 53 N -3.77 -1.16 -0.39 6.43 2.47 -0.86 -4.76 114.94 112.89 2x95 s ASN 53 Ca 0.08 -1.11 -0.29 0.00 0.42 0.00 0.00 52.86 51.97 2x95 s ASN 53 Cb 0.15 1.51 0.00 0.00 -1.45 0.00 0.00 41.25 41.46 2x95 s ASN 53 CO 0.69 -0.07 1.50 -0.63 -3.72 0.00 0.00 177.10 174.87 2x95 s ILE 54 N 1.23 3.81 0.07 -5.21 1.01 -0.10 -4.44 121.20 117.58 2x95 s ILE 54 Ca 0.24 0.82 -0.00 0.00 0.00 0.00 0.00 60.65 61.71 2x95 s ILE 54 Cb 0.02 -4.08 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 2x95 s ILE 54 CO -0.07 -0.68 -0.03 0.42 0.00 0.00 0.00 174.94 174.57 2x95 s THR 55 N 5.75 0.35 0.43 2.92 -4.23 -1.26 -4.56 115.64 115.04 2x95 s THR 55 Ca 0.65 -1.86 0.10 0.00 -1.18 0.00 0.00 61.69 59.41 2x95 s THR 55 Cb -0.16 -1.63 0.23 0.00 1.34 0.00 0.00 72.50 72.28 2x95 s THR 55 CO 0.33 -0.90 2.03 0.44 -0.54 0.00 0.00 174.62 175.97 2x95 h ASP 56 N 3.06 0.27 -0.20 3.99 3.32 -1.99 -1.24 116.42 123.62 2x95 h ASP 56 Ca -0.35 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 56.60 2x95 h ASP 56 Cb 1.15 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.63 2x95 h ASP 56 CO 0.65 0.28 -0.21 -0.08 -1.72 0.00 0.00 179.24 178.16 2x95 h GLU 57 N 0.30 0.50 -0.05 3.56 4.81 -1.97 -2.22 114.58 119.50 2x95 h GLU 57 Ca 0.08 -0.27 -0.12 0.00 -0.13 0.00 0.00 59.36 58.92 2x95 h GLU 57 Cb 0.11 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 2x95 h GLU 57 CO -0.00 0.85 -0.52 -0.91 -0.73 0.00 0.00 179.01 177.69 2x95 h ASN 58 N 0.17 0.16 0.04 1.04 2.35 -1.83 -2.00 115.58 115.51 2x95 h ASN 58 Ca 0.03 -0.08 -0.00 0.00 -0.55 0.00 0.00 56.30 55.70 2x95 h ASN 58 Cb 0.76 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.09 2x95 h ASN 58 CO 0.05 0.65 -0.02 -0.08 -1.65 0.00 0.00 177.43 176.38 2x95 h GLU 59 N 0.11 -0.06 -0.55 0.81 4.81 -1.23 -0.11 114.58 118.36 2x95 h GLU 59 Ca 0.00 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.30 2x95 h GLU 59 Cb 0.96 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.30 2x95 h GLU 59 CO 0.08 0.05 0.24 -0.22 -0.73 0.00 0.00 179.01 178.43 2x95 h LYS 60 N -0.15 0.45 -0.22 1.92 3.64 -1.31 -1.38 116.57 119.52 2x95 h LYS 60 Ca -0.01 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 2x95 h LYS 60 Cb 0.13 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 2x95 h LYS 60 CO 0.01 0.30 0.04 0.87 -2.27 0.00 0.00 179.45 178.39 2x95 h LYS 61 N 0.46 0.36 -0.32 1.90 1.57 -1.27 -1.66 116.57 117.61 2x95 h LYS 61 Ca 0.26 -0.10 0.05 0.00 -1.87 0.00 0.00 60.65 59.00 2x95 h LYS 61 Cb 0.24 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.46 2x95 h LYS 61 CO -0.22 0.50 0.01 -0.22 -0.57 0.00 0.00 179.45 178.95 2x95 h LYS 62 N 0.16 0.10 -0.09 3.15 3.64 -0.75 -2.47 116.57 120.31 2x95 h LYS 62 Ca 0.07 -0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 59.25 2x95 h LYS 62 Cb 0.32 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 2x95 h LYS 62 CO 0.00 0.07 -0.73 -0.91 -2.27 0.00 0.00 179.45 175.61 2x95 h ASN 63 N 0.10 0.53 -0.09 4.20 2.35 -1.23 -2.58 115.58 118.87 2x95 h ASN 63 Ca 0.15 -0.35 -0.16 0.00 -0.55 0.00 0.00 56.30 55.39 2x95 h ASN 63 Cb 0.20 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 2x95 h ASN 63 CO -0.25 1.09 -0.51 -0.33 -1.65 0.00 0.00 177.43 175.79 2x95 h GLU 64 N 0.31 0.66 -0.56 0.81 5.08 -1.24 -1.24 114.58 118.39 2x95 h GLU 64 Ca -0.03 -0.40 -0.11 0.00 -1.00 0.00 0.00 59.36 57.82 2x95 h GLU 64 Cb 1.31 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.58 2x95 h GLU 64 CO 0.13 1.01 -0.08 0.82 -1.00 0.00 0.00 179.01 179.89 2x95 h ILE 65 N 0.52 1.27 -0.73 3.13 1.08 -1.48 -2.01 117.51 119.28 2x95 h ILE 65 Ca 0.02 -1.25 -0.04 0.00 -0.39 0.00 0.00 64.86 63.20 2x95 h ILE 65 Cb 1.07 0.92 -0.03 0.00 -3.07 0.00 0.00 36.82 35.70 2x95 h ILE 65 CO 0.10 0.44 0.30 0.28 -0.69 0.00 0.00 178.15 178.59 2x95 h SER 66 N 0.94 0.99 -0.64 1.72 0.02 -1.32 -0.41 113.55 114.85 2x95 h SER 66 Ca 0.15 -0.14 -0.04 0.00 -0.84 0.00 0.00 61.79 60.92 2x95 h SER 66 Cb 0.65 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.91 2x95 h SER 66 CO 0.05 0.87 0.26 0.00 -1.14 0.00 0.00 176.83 176.87 2x95 h ALA 67 N 1.27 1.20 -0.34 3.77 0.00 -1.09 0.10 119.26 124.17 2x95 h ALA 67 Ca 0.25 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 2x95 h ALA 67 Cb 0.19 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2x95 h ALA 67 CO -0.02 0.58 -0.09 1.49 0.00 0.00 0.00 179.25 181.21 2x95 h GLU 68 N 0.96 0.65 -0.62 0.00 4.81 -0.81 -2.14 114.58 117.43 2x95 h GLU 68 Ca 0.23 -0.25 -0.08 0.00 -0.13 0.00 0.00 59.36 59.12 2x95 h GLU 68 Cb 0.19 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 2x95 h GLU 68 CO -0.02 0.83 0.05 1.25 -0.73 0.00 0.00 179.01 180.39 2x95 h LEU 69 N 0.43 1.00 -0.71 1.64 5.85 -0.87 -2.64 115.31 120.02 2x95 h LEU 69 Ca 0.08 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.57 2x95 h LEU 69 Cb 0.59 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 2x95 h LEU 69 CO 0.03 1.02 0.46 0.00 -0.34 0.00 0.00 178.44 179.62 2x95 h ALA 70 N 1.09 0.91 -0.90 1.25 0.00 -0.90 -1.28 119.26 119.43 2x95 h ALA 70 Ca 0.18 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.06 2x95 h ALA 70 Cb 0.48 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2x95 h ALA 70 CO 0.02 0.29 0.58 -0.22 0.00 0.00 0.00 179.25 179.92 2x95 h LYS 71 N 0.93 1.19 -0.50 0.00 3.64 -1.22 -1.89 116.57 118.72 2x95 h LYS 71 Ca 0.27 -0.08 -0.11 0.00 -1.27 0.00 0.00 60.65 59.46 2x95 h LYS 71 Cb -0.06 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 31.47 2x95 h LYS 71 CO -0.08 0.80 -0.13 0.35 -2.27 0.00 0.00 179.45 178.13 2x95 h PHE 72 N 1.22 1.06 -0.89 1.91 3.57 -1.09 -2.90 116.94 119.83 2x95 h PHE 72 Ca 0.33 -0.22 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 2x95 h PHE 72 Cb -0.12 -0.26 -0.04 0.00 2.79 0.00 0.00 35.95 38.32 2x95 h PHE 72 CO -0.01 1.01 0.53 0.52 -2.23 0.00 0.00 178.31 178.13 2x95 h MET 73 N 0.84 1.22 -0.51 1.11 2.86 -0.79 -1.28 114.93 118.39 2x95 h MET 73 Ca 0.13 -0.12 0.06 0.00 -2.06 0.00 0.00 59.70 57.71 2x95 h MET 73 Cb 0.68 -0.25 -0.05 0.00 0.06 0.00 0.00 31.60 32.03 2x95 h MET 73 CO 0.05 0.87 0.23 0.87 1.06 0.00 0.00 176.91 179.98 2x95 h LYS 74 N 1.23 0.43 -0.62 1.72 1.57 -1.24 0.85 116.57 120.51 2x95 h LYS 74 Ca 0.32 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 59.04 2x95 h LYS 74 Cb -0.03 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.15 2x95 h LYS 74 CO -0.06 0.28 0.24 0.93 -0.57 0.00 0.00 179.45 180.27 2x95 h GLU 75 N 0.44 0.92 0.25 3.15 5.08 -1.26 -1.61 114.58 121.55 2x95 h GLU 75 Ca 0.23 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2x95 h GLU 75 Cb 0.19 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2x95 h GLU 75 CO -0.20 0.76 -0.12 0.28 -1.00 0.00 0.00 179.01 178.73 2x95 h VAL 76 N 0.90 0.81 -0.98 3.13 2.07 -0.60 -0.96 116.25 120.61 2x95 h VAL 76 Ca 0.21 -0.57 0.14 0.00 0.82 0.00 0.00 66.70 67.30 2x95 h VAL 76 Cb 0.20 1.12 -0.08 0.00 -1.52 0.00 0.00 31.29 31.00 2x95 h VAL 76 CO -0.02 0.12 0.62 0.00 0.02 0.00 0.00 177.57 178.31 2x95 h ALA 77 N 0.01 1.62 -0.67 1.67 0.00 -0.78 0.08 119.26 121.19 2x95 h ALA 77 Ca -0.03 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 2x95 h ALA 77 Cb 0.45 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2x95 h ALA 77 CO 0.06 0.12 0.17 1.03 0.00 0.00 0.00 179.25 180.62 2x95 h SER 78 N 0.89 1.01 0.85 0.00 0.87 -1.22 -3.10 113.55 112.85 2x95 h SER 78 Ca 0.50 -0.23 -0.04 0.00 -1.23 0.00 0.00 61.79 60.79 2x95 h SER 78 Cb 0.60 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 2x95 h SER 78 CO -0.27 0.98 -0.17 0.44 -0.53 0.00 0.00 176.83 177.28 2x95 h ASP 79 N 0.99 0.00 0.50 6.23 3.45 0.41 -3.01 116.42 124.99 2x95 h ASP 79 Ca 0.21 0.00 -0.04 0.00 0.43 0.00 0.00 57.03 57.63 2x95 h ASP 79 Cb 0.36 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.12 2x95 h ASP 79 CO 0.00 0.17 -0.18 0.71 -1.57 0.00 0.00 179.24 178.37 2x95 h THR 80 N 0.00 0.67 0.00 0.35 1.35 -1.22 -2.25 112.91 111.81 2x95 h THR 80 Ca -0.00 -0.79 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 2x95 h THR 80 Cb 0.64 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 68.55 2x95 h THR 80 CO 0.02 0.18 0.00 0.35 -0.25 0.00 0.00 175.52 175.82 2x95 n THR 81 N -3.65 0.87 0.48 6.82 -2.24 -1.14 -1.94 114.28 113.48 2x95 n THR 81 Ca -0.01 0.25 0.13 0.00 -2.27 0.00 0.00 64.05 62.14 2x95 n THR 81 Cb 0.31 -1.15 0.38 0.00 -2.10 0.00 0.00 70.33 67.77 2x95 n THR 81 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2x95 h LYS 82 N 0.00 0.00 -5.67 -0.78 1.57 -1.58 -3.44 116.57 106.67 2x95 h LYS 82 Ca 0.00 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.12 2x95 h LYS 82 Cb 0.33 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.47 2x95 h LYS 82 CO 0.00 0.00 -0.64 -0.06 -0.57 0.00 0.00 179.45 178.18 2x95 s PHE 83 N -3.19 3.11 -0.71 -1.35 0.08 -0.82 -5.01 117.98 110.09 2x95 s PHE 83 Ca 0.08 -0.00 -0.07 0.00 0.12 0.00 0.00 56.93 57.05 2x95 s PHE 83 Cb 0.10 -1.88 -0.16 0.00 -0.57 0.00 0.00 43.02 40.51 2x95 s PHE 83 CO 0.58 0.24 3.27 1.04 -0.10 0.00 0.00 175.22 180.26 2x95 n GLN 84 N 2.80 2.79 0.09 0.44 1.13 -1.26 -4.73 117.38 118.64 2x95 n GLN 84 Ca -0.18 -1.65 0.03 0.00 -1.94 0.00 0.00 57.00 53.26 2x95 n GLN 84 Cb 0.53 -2.34 0.40 0.00 0.11 0.00 0.00 30.24 28.94 2x95 n GLN 84 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 2x95 h TRP 85 N 3.83 0.33 0.00 1.08 5.08 -1.95 -0.72 115.95 123.60 2x95 h TRP 85 Ca 0.49 -0.02 0.00 0.00 1.08 0.00 0.00 58.89 60.43 2x95 h TRP 85 Cb 0.95 -0.10 0.00 0.00 -3.00 0.00 0.00 29.16 27.01 2x95 h TRP 85 CO 1.80 0.36 0.00 0.00 -1.28 0.00 0.00 178.44 179.32 2x95 h ARG 86 N 0.31 0.00 -0.01 0.12 3.08 -1.96 -2.22 114.38 113.71 2x95 h ARG 86 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2x95 h ARG 86 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 2x95 h ARG 86 CO 0.01 0.00 -0.26 0.43 -1.07 0.00 0.00 179.97 179.08 2x95 n SER 87 N -2.60 1.22 -4.79 7.04 7.64 -0.28 -4.99 113.62 116.86 2x95 n SER 87 Ca -0.01 -1.04 -0.33 0.00 1.01 0.00 0.00 58.87 58.51 2x95 n SER 87 Cb 0.14 0.16 0.03 0.00 -1.01 0.00 0.00 64.21 63.52 2x95 n SER 87 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2x95 s TYR 88 N -2.45 2.81 0.10 1.43 2.02 -0.84 -4.98 117.35 115.44 2x95 s TYR 88 Ca 0.25 1.53 -0.08 0.00 -0.37 0.00 0.00 57.07 58.40 2x95 s TYR 88 Cb 0.19 -3.10 -0.17 0.00 -0.40 0.00 0.00 41.96 38.48 2x95 s TYR 88 CO 0.51 -1.39 1.23 1.96 -1.57 0.00 0.00 175.55 176.29 2x95 h GLN 89 N 0.33 0.49 -6.42 -0.62 1.08 -1.94 -3.45 115.11 104.59 2x95 h GLN 89 Ca -0.47 -0.57 -0.57 0.00 -1.45 0.00 0.00 58.65 55.59 2x95 h GLN 89 Cb 1.23 0.17 -0.06 0.00 -0.05 0.00 0.00 27.48 28.78 2x95 h GLN 89 CO 0.56 1.21 0.90 0.45 -0.95 0.00 0.00 178.83 181.00 2x95 s SER 90 N -7.19 6.79 0.35 1.46 0.15 -1.26 -4.90 113.70 109.10 2x95 s SER 90 Ca -0.07 0.94 0.04 0.00 0.70 0.00 0.00 55.95 57.56 2x95 s SER 90 Cb 0.08 -2.54 0.68 0.00 -1.71 0.00 0.00 66.02 62.52 2x95 s SER 90 CO 0.89 -1.03 1.99 -0.33 1.20 0.00 0.00 173.24 175.96 2x95 h GLU 91 N 8.68 0.80 -0.26 5.44 4.39 -2.00 -2.26 114.58 129.37 2x95 h GLU 91 Ca -0.22 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.42 2x95 h GLU 91 Cb 1.07 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.53 2x95 h GLU 91 CO 1.06 0.53 0.12 0.22 -1.16 0.00 0.00 179.01 179.78 2x95 h ASP 92 N 0.82 0.34 -0.45 1.42 3.58 -1.94 -0.78 116.42 119.41 2x95 h ASP 92 Ca 0.27 -0.12 -0.05 0.00 0.42 0.00 0.00 57.03 57.55 2x95 h ASP 92 Cb 0.05 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.00 2x95 h ASP 92 CO -0.07 0.37 0.10 -0.07 -2.88 0.00 0.00 179.24 176.68 2x95 h LEU 93 N 0.29 0.70 -0.98 2.28 3.38 -1.92 -2.28 115.31 116.78 2x95 h LEU 93 Ca 0.09 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 2x95 h LEU 93 Cb 0.12 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 2x95 h LEU 93 CO -0.01 0.77 0.38 0.11 0.09 0.00 0.00 178.44 179.77 2x95 h LYS 94 N 0.61 1.11 -0.78 1.13 1.57 -1.33 -1.45 116.57 117.43 2x95 h LYS 94 Ca 0.14 -0.15 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 2x95 h LYS 94 Cb 0.35 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 2x95 h LYS 94 CO 0.00 0.85 0.29 -0.09 -0.57 0.00 0.00 179.45 179.93 2x95 h ARG 95 N 1.10 1.19 -0.13 3.15 2.43 -0.92 -1.00 114.38 120.19 2x95 h ARG 95 Ca 0.27 -0.23 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 2x95 h ARG 95 Cb 0.10 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.46 2x95 h ARG 95 CO -0.04 0.98 -0.03 1.96 -1.51 0.00 0.00 179.97 181.33 2x95 h GLN 96 N 1.15 0.25 -0.94 0.20 4.20 -1.10 -2.03 115.11 116.84 2x95 h GLN 96 Ca 0.26 -0.09 0.01 0.00 0.06 0.00 0.00 58.65 58.88 2x95 h GLN 96 Cb 0.25 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.97 2x95 h GLN 96 CO -0.02 0.54 0.62 0.74 -0.67 0.00 0.00 178.83 180.04 2x95 h PHE 97 N -0.05 1.18 -0.69 2.96 0.04 -1.19 -2.06 116.94 117.13 2x95 h PHE 97 Ca 0.03 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.80 2x95 h PHE 97 Cb 0.44 -0.40 -0.03 0.00 2.20 0.00 0.00 35.95 38.16 2x95 h PHE 97 CO 0.05 0.74 0.31 -0.22 -0.60 0.00 0.00 178.31 178.59 2x95 h LYS 98 N 1.27 1.00 -0.89 1.51 3.64 -1.12 -1.97 116.57 120.02 2x95 h LYS 98 Ca 0.35 -0.16 0.06 0.00 -1.27 0.00 0.00 60.65 59.63 2x95 h LYS 98 Cb -0.13 -0.17 -0.06 0.00 -0.41 0.00 0.00 32.23 31.46 2x95 h LYS 98 CO -0.08 0.80 0.58 0.00 -2.27 0.00 0.00 179.45 178.49 2x95 h ALA 99 N 1.15 1.50 0.00 5.00 0.00 -0.94 -2.43 119.26 123.53 2x95 h ALA 99 Ca 0.23 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 2x95 h ALA 99 Cb 0.15 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2x95 h ALA 99 CO -0.03 0.38 -0.32 -0.07 0.00 0.00 0.00 179.25 179.22 2x95 h LEU 100 N 1.04 0.00 -0.79 0.00 3.38 -0.70 -3.03 115.31 115.22 2x95 h LEU 100 Ca 0.37 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.31 2x95 h LEU 100 Cb 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2x95 h LEU 100 CO -0.13 0.32 -0.18 0.71 0.09 0.00 0.00 178.44 179.25 2x95 h THR 101 N 0.00 0.38 -2.30 0.22 1.35 -0.87 -3.39 112.91 108.29 2x95 h THR 101 Ca -0.00 -1.14 -0.59 0.00 -0.55 0.00 0.00 66.41 64.12 2x95 h THR 101 Cb 0.81 1.86 -0.11 0.00 -1.73 0.00 0.00 68.15 68.98 2x95 h THR 101 CO 0.04 0.17 0.93 -0.54 -0.25 0.00 0.00 175.52 175.87 2x95 s LYS 102 N -3.46 3.24 0.15 4.72 1.02 -1.15 -4.87 119.74 119.40 2x95 s LYS 102 Ca 0.02 -0.66 0.14 0.00 0.02 0.00 0.00 55.97 55.49 2x95 s LYS 102 Cb 0.08 -4.40 -0.08 0.00 -0.52 0.00 0.00 37.83 32.91 2x95 s LYS 102 CO 0.64 -2.02 1.15 -0.07 -0.92 0.00 0.00 175.35 174.13 2x95 h LEU 103 N 12.25 0.00 0.00 3.17 3.38 -1.87 -3.50 115.31 128.75 2x95 h LEU 103 Ca -0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2x95 h LEU 103 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 2x95 h LEU 103 CO 1.25 0.68 0.00 0.61 0.09 0.00 0.00 178.44 181.08 2x95 n GLY 104 N 1.34 3.27 0.27 0.83 0.00 -1.26 -2.14 105.19 107.50 2x95 n GLY 104 Ca -0.04 -0.13 0.12 0.00 0.00 0.00 0.00 46.02 45.97 2x95 n GLY 104 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2x95 h TYR 105 N 0.00 0.00 0.00 1.61 0.05 -1.96 -2.50 116.97 114.17 2x95 h TYR 105 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2x95 h TYR 105 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 2x95 h TYR 105 CO 0.00 0.04 0.00 0.00 -1.05 0.00 0.00 178.16 177.15 2x95 n ALA 106 N -2.40 1.50 0.23 3.88 0.00 -0.91 -1.79 120.51 121.01 2x95 n ALA 106 Ca -0.03 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.50 2x95 n ALA 106 Cb 0.13 -1.12 0.20 0.00 0.00 0.00 0.00 19.45 18.66 2x95 n ALA 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2x95 h ALA 107 N 2.34 1.00 -2.89 0.00 0.00 -1.61 -3.42 119.26 114.67 2x95 h ALA 107 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 2x95 h ALA 107 Cb 0.08 0.00 0.11 0.00 0.00 0.00 0.00 17.79 17.98 2x95 h ALA 107 CO 0.00 0.00 0.56 -0.51 0.00 0.00 0.00 179.25 179.30 2x95 s LEU 108 N -6.20 3.91 0.63 0.00 1.43 -0.74 -4.98 118.68 112.73 2x95 s LEU 108 Ca 0.07 2.58 -0.17 0.00 -1.03 0.00 0.00 54.13 55.57 2x95 s LEU 108 Cb 0.05 -4.27 -0.05 0.00 0.03 0.00 0.00 46.19 41.95 2x95 s LEU 108 CO 0.66 -1.32 0.74 -2.65 0.23 0.00 0.00 176.35 174.01 2x95 n PRO 109 N -0.83 0.61 -0.29 1.29 -0.02 -1.26 -4.60 135.00 129.90 2x95 n PRO 109 Ca 0.09 0.25 -0.02 0.00 -2.02 0.00 0.00 63.50 61.80 2x95 n PRO 109 Cb 0.46 -1.96 0.04 0.00 -0.02 0.00 0.00 33.50 32.02 2x95 n PRO 109 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2x95 h GLU 110 N 0.14 -0.07 -0.59 -0.52 4.81 -1.96 -0.83 114.58 115.55 2x95 h GLU 110 Ca -0.47 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.72 2x95 h GLU 110 Cb 1.37 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.74 2x95 h GLU 110 CO 0.47 -0.05 0.18 -0.44 -0.73 0.00 0.00 179.01 178.45 2x95 h ASP 111 N -0.07 0.87 -0.69 1.04 3.32 -2.00 -2.28 116.42 116.61 2x95 h ASP 111 Ca 0.31 -0.21 -0.07 0.00 0.02 0.00 0.00 57.03 57.08 2x95 h ASP 111 Cb 0.58 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 2x95 h ASP 111 CO -0.83 0.85 0.15 0.44 -1.72 0.00 0.00 179.24 178.13 2x95 h ASP 112 N 0.85 1.06 -0.41 6.45 3.32 -1.64 -1.82 116.42 124.22 2x95 h ASP 112 Ca 0.19 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 2x95 h ASP 112 Cb 0.29 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 2x95 h ASP 112 CO -0.01 1.03 0.22 0.22 -1.72 0.00 0.00 179.24 178.99 2x95 h TYR 113 N 1.05 0.58 -0.90 4.55 3.20 -1.06 -1.18 116.97 123.20 2x95 h TYR 113 Ca 0.21 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.07 2x95 h TYR 113 Cb 0.40 -0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.44 2x95 h TYR 113 CO 0.03 0.45 0.58 0.00 -1.64 0.00 0.00 178.16 177.59 2x95 h ALA 114 N 1.07 1.15 -0.57 1.82 0.00 -1.26 -0.80 119.26 120.67 2x95 h ALA 114 Ca 0.14 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2x95 h ALA 114 Cb 0.07 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 2x95 h ALA 114 CO -0.02 0.57 0.20 1.49 0.00 0.00 0.00 179.25 181.49 2x95 h GLU 115 N 1.23 0.87 -0.25 0.00 4.81 -1.12 -1.80 114.58 118.32 2x95 h GLU 115 Ca 0.33 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 2x95 h GLU 115 Cb -0.11 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.12 2x95 h GLU 115 CO -0.07 0.77 0.10 1.25 -0.73 0.00 0.00 179.01 180.34 2x95 h LEU 116 N 0.80 0.33 -0.69 1.64 5.85 -0.76 -0.18 115.31 122.29 2x95 h LEU 116 Ca 0.19 -0.15 0.09 0.00 0.84 0.00 0.00 57.88 58.84 2x95 h LEU 116 Cb 0.24 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.12 2x95 h LEU 116 CO -0.01 0.39 0.35 -0.07 -0.34 0.00 0.00 178.44 178.76 2x95 h LEU 117 N 0.25 0.46 -0.91 2.25 3.38 -1.07 0.14 115.31 119.80 2x95 h LEU 117 Ca 0.08 0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 2x95 h LEU 117 Cb 0.16 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2x95 h LEU 117 CO -0.01 0.27 -0.08 0.44 0.09 0.00 0.00 178.44 179.15 2x95 h ASP 118 N 0.60 0.69 -0.33 -0.43 3.45 -1.08 -1.72 116.42 117.61 2x95 h ASP 118 Ca 0.33 -0.19 -0.08 0.00 0.43 0.00 0.00 57.03 57.53 2x95 h ASP 118 Cb 0.33 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 38.90 2x95 h ASP 118 CO -0.25 0.81 -0.11 0.74 -1.57 0.00 0.00 179.24 178.86 2x95 h THR 119 N 0.65 1.28 -0.58 0.35 2.02 -0.17 -2.10 112.91 114.37 2x95 h THR 119 Ca 0.12 -1.18 -0.07 0.00 0.77 0.00 0.00 66.41 66.05 2x95 h THR 119 Cb 0.53 1.37 -0.02 0.00 -1.74 0.00 0.00 68.15 68.28 2x95 h THR 119 CO 0.03 0.38 0.11 -0.07 0.37 0.00 0.00 175.52 176.34 2x95 h LEU 120 N 0.43 0.91 -0.73 2.58 3.38 -0.63 -2.30 115.31 118.95 2x95 h LEU 120 Ca 0.08 -0.25 -0.13 0.00 0.09 0.00 0.00 57.88 57.66 2x95 h LEU 120 Cb 0.62 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2x95 h LEU 120 CO 0.04 0.93 -0.51 0.77 0.09 0.00 0.00 178.44 179.76 2x95 h SER 121 N 0.85 0.36 -0.75 -0.43 4.64 -1.35 -1.79 113.55 115.08 2x95 h SER 121 Ca 0.18 -0.18 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 2x95 h SER 121 Cb 0.40 -0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 62.35 2x95 h SER 121 CO 0.01 0.80 0.50 0.00 -0.87 0.00 0.00 176.83 177.27 2x95 h ALA 122 N 1.21 0.95 -0.08 5.18 0.00 -1.20 -0.05 119.26 125.27 2x95 h ALA 122 Ca 0.01 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 2x95 h ALA 122 Cb 0.98 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2x95 h ALA 122 CO 0.08 0.37 -0.37 0.52 0.00 0.00 0.00 179.25 179.86 2x95 h MET 123 N 1.02 0.39 -0.46 0.00 2.07 -1.29 -2.23 114.93 114.43 2x95 h MET 123 Ca 0.27 -0.31 -0.06 0.00 -2.07 0.00 0.00 59.70 57.54 2x95 h MET 123 Cb -0.12 0.06 -0.02 0.00 -1.87 0.00 0.00 31.60 29.66 2x95 h MET 123 CO -0.06 0.95 0.07 1.49 1.07 0.00 0.00 176.91 180.43 2x95 h GLU 124 N -0.07 0.77 -0.26 1.72 4.81 -1.29 -1.88 114.58 118.38 2x95 h GLU 124 Ca -0.02 -0.21 -0.12 0.00 -0.13 0.00 0.00 59.36 58.88 2x95 h GLU 124 Cb 1.01 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.29 2x95 h GLU 124 CO 0.08 0.79 -0.32 0.66 -0.73 0.00 0.00 179.01 179.49 2x95 h SER 125 N 0.63 0.57 0.13 1.04 4.64 -1.09 -1.17 113.55 118.30 2x95 h SER 125 Ca 0.14 -0.22 0.01 0.00 -0.47 0.00 0.00 61.79 61.24 2x95 h SER 125 Cb 0.39 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.31 2x95 h SER 125 CO 0.01 0.86 -0.15 -1.13 -0.87 0.00 0.00 176.83 175.55 2x95 h ASN 126 N 0.47 -0.39 -0.27 4.97 -0.73 -1.26 -0.87 115.58 117.50 2x95 h ASN 126 Ca 0.06 0.04 0.06 0.00 1.87 0.00 0.00 56.30 58.33 2x95 h ASN 126 Cb 0.79 0.14 -0.06 0.00 0.27 0.00 0.00 38.32 39.46 2x95 h ASN 126 CO 0.06 -0.22 -0.10 0.15 -0.37 0.00 0.00 177.43 176.95 2x95 h PHE 127 N -0.31 -0.23 0.00 0.67 3.57 -1.16 -2.38 116.94 117.09 2x95 h PHE 127 Ca 0.01 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 2x95 h PHE 127 Cb 0.31 0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.19 2x95 h PHE 127 CO -0.14 -0.16 -0.05 0.00 -2.23 0.00 0.00 178.31 175.73 2x95 h ALA 128 N 1.20 1.06 -0.03 2.41 0.00 -1.01 -2.93 119.26 119.96 2x95 h ALA 128 Ca 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2x95 h ALA 128 Cb 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2x95 h ALA 128 CO -0.31 0.07 -0.01 1.63 0.00 0.00 0.00 179.25 180.63 2x95 n LYS 129 N -3.24 2.27 -1.69 0.00 5.02 -0.35 -4.70 118.16 115.48 2x95 n LYS 129 Ca -0.01 -1.86 -0.44 0.00 -2.02 0.00 0.00 58.31 53.98 2x95 n LYS 129 Cb 0.26 -1.46 -0.04 0.00 -0.02 0.00 0.00 35.03 33.77 2x95 n LYS 129 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2x95 n VAL 130 N 1.26 0.26 -4.39 -0.18 0.31 -1.03 -5.00 118.33 109.57 2x95 n VAL 130 Ca 0.14 -0.05 -0.19 0.00 -0.01 0.00 0.00 64.34 64.23 2x95 n VAL 130 Cb 0.59 -1.90 -0.15 0.00 -0.91 0.00 0.00 33.84 31.47 2x95 n VAL 130 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2x95 s LYS 131 N 2.29 0.83 0.30 5.55 -0.14 -1.26 -4.31 119.74 123.01 2x95 s LYS 131 Ca 0.82 -0.33 0.10 0.00 -1.36 0.00 0.00 55.97 55.21 2x95 s LYS 131 Cb -0.58 -0.79 -0.06 0.00 -1.68 0.00 0.00 37.83 34.72 2x95 s LYS 131 CO 0.39 0.17 -0.13 0.14 -0.76 0.00 0.00 175.35 175.16 2x95 s VAL 132 N -0.08 2.22 0.16 3.17 -7.23 0.10 -4.90 120.40 113.84 2x95 s VAL 132 Ca 0.01 -2.27 -0.21 0.00 -1.81 0.00 0.00 61.98 57.70 2x95 s VAL 132 Cb -0.05 -2.44 -0.08 0.00 0.56 0.00 0.00 36.38 34.37 2x95 s VAL 132 CO -0.00 -0.32 0.68 0.00 -0.31 0.00 0.00 175.10 175.15 2x95 n ASP 134 N 1.24 2.81 -0.17 0.00 4.64 0.90 -4.89 116.55 121.09 2x95 n ASP 134 Ca -0.06 1.14 0.10 0.00 -1.38 0.00 0.00 54.79 54.60 2x95 n ASP 134 Cb 0.50 -1.44 0.42 0.00 -1.04 0.00 0.00 41.12 39.56 2x95 n ASP 134 CO 0.00 0.00 0.00 0.22 -0.82 0.00 0.00 177.20 176.60 2x95 h TYR 135 N 4.20 0.65 -0.02 -0.67 3.20 -1.96 -2.79 116.97 119.59 2x95 h TYR 135 Ca -0.45 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.44 2x95 h TYR 135 Cb 1.27 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.33 2x95 h TYR 135 CO 0.56 0.31 -0.19 1.63 -1.64 0.00 0.00 178.16 178.83 2x95 n LYS 136 N -4.49 1.55 -3.41 1.82 5.02 -1.26 -4.80 118.16 112.59 2x95 n LYS 136 Ca 0.12 -1.16 -0.22 0.00 -2.02 0.00 0.00 58.31 55.03 2x95 n LYS 136 Cb 0.34 -1.31 -0.10 0.00 -0.02 0.00 0.00 35.03 33.94 2x95 n LYS 136 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2x95 s ASP 137 N -1.72 1.99 0.00 4.39 -1.08 -1.05 -5.01 116.67 114.19 2x95 s ASP 137 Ca 0.17 -1.67 0.08 0.00 -0.52 0.00 0.00 52.55 50.60 2x95 s ASP 137 Cb 0.14 0.17 0.38 0.00 -1.46 0.00 0.00 42.92 42.16 2x95 s ASP 137 CO 0.33 -0.30 1.17 -1.54 0.52 0.00 0.00 175.17 175.34 2x95 n SER 138 N 4.36 0.00 -0.02 -0.34 3.41 -1.25 -1.79 113.62 118.00 2x95 n SER 138 Ca 0.09 0.28 -0.10 0.00 -0.26 0.00 0.00 58.87 58.89 2x95 n SER 138 Cb 0.42 -0.36 -0.14 0.00 -0.26 0.00 0.00 64.21 63.87 2x95 n SER 138 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2x95 n THR 139 N -1.36 1.62 -2.78 6.66 -1.04 -1.26 -4.74 114.28 111.38 2x95 n THR 139 Ca 0.03 -0.79 -0.43 0.00 -2.04 0.00 0.00 64.05 60.83 2x95 n THR 139 Cb 0.07 -1.09 -0.04 0.00 -1.82 0.00 0.00 70.33 67.46 2x95 n THR 139 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2x95 s LYS 140 N -2.59 3.18 -0.29 -2.82 2.20 -0.74 -4.89 119.74 113.80 2x95 s LYS 140 Ca -0.06 -0.56 0.08 0.00 -0.36 0.00 0.00 55.97 55.07 2x95 s LYS 140 Cb 0.08 -4.18 0.46 0.00 -1.51 0.00 0.00 37.83 32.69 2x95 s LYS 140 CO 0.82 -1.82 1.18 0.00 -0.36 0.00 0.00 175.35 175.18 2x95 n ASP 142 N -0.71 2.25 -4.64 0.00 5.75 -1.23 -4.39 116.55 113.59 2x95 n ASP 142 Ca 0.41 -3.47 -0.42 0.00 -0.01 0.00 0.00 54.79 51.29 2x95 n ASP 142 Cb 0.95 -0.50 -0.03 0.00 -1.03 0.00 0.00 41.12 40.51 2x95 n ASP 142 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2x95 s LEU 143 N -3.05 4.04 0.31 -2.12 1.02 -0.99 -4.88 118.68 113.01 2x95 s LEU 143 Ca 0.37 1.01 0.03 0.00 0.02 0.00 0.00 54.13 55.56 2x95 s LEU 143 Cb 0.33 -3.35 -0.02 0.00 0.02 0.00 0.00 46.19 43.17 2x95 s LEU 143 CO -0.01 -0.70 0.47 0.00 0.02 0.00 0.00 176.35 176.13 2x95 s ALA 144 N 3.21 3.89 0.13 4.21 0.00 -1.26 -0.72 121.76 131.23 2x95 s ALA 144 Ca 0.40 -1.15 -0.22 0.00 0.00 0.00 0.00 51.96 50.98 2x95 s ALA 144 Cb -0.14 -1.88 -0.02 0.00 0.00 0.00 0.00 23.12 21.09 2x95 s ALA 144 CO 0.11 0.06 1.67 1.25 0.00 0.00 0.00 175.76 178.85 2x95 h LEU 145 N 0.92 -0.45 -8.29 0.00 5.85 -1.95 -0.25 115.31 111.14 2x95 h LEU 145 Ca -0.50 0.09 -0.69 0.00 0.84 0.00 0.00 57.88 57.62 2x95 h LEU 145 Cb 1.23 0.22 -0.28 0.00 0.37 0.00 0.00 40.66 42.21 2x95 h LEU 145 CO 0.59 -0.19 -0.61 -0.62 -0.34 0.00 0.00 178.44 177.27 2x95 s ASP 146 N -5.07 5.21 0.00 1.25 -1.08 -1.26 -1.34 116.67 114.38 2x95 s ASP 146 Ca -0.14 -0.93 0.16 0.00 -0.52 0.00 0.00 52.55 51.12 2x95 s ASP 146 Cb 0.10 -1.87 -0.15 0.00 -1.46 0.00 0.00 42.92 39.55 2x95 s ASP 146 CO 0.68 -0.26 0.73 -0.81 0.52 0.00 0.00 175.17 176.03 2x95 n PRO 147 N 4.84 1.61 0.32 4.34 -0.04 -1.26 -4.99 135.00 139.81 2x95 n PRO 147 Ca -0.13 -0.15 -0.17 0.00 -0.04 0.00 0.00 63.50 63.00 2x95 n PRO 147 Cb 0.46 -1.28 -0.09 0.00 -0.04 0.00 0.00 33.50 32.56 2x95 n PRO 147 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2x95 h GLU 148 N 0.34 -0.74 -0.26 0.54 3.07 -1.42 -1.66 114.58 114.45 2x95 h GLU 148 Ca 0.00 0.05 -0.12 0.00 -0.50 0.00 0.00 59.36 58.79 2x95 h GLU 148 Cb 0.42 0.17 -0.00 0.00 -0.84 0.00 0.00 28.75 28.50 2x95 h GLU 148 CO 0.00 -0.48 -0.30 0.82 -1.40 0.00 0.00 179.01 177.64 2x95 h ILE 149 N -0.79 1.31 -0.14 3.13 2.04 -0.94 -2.97 117.51 119.15 2x95 h ILE 149 Ca -0.08 -1.48 -0.02 0.00 1.00 0.00 0.00 64.86 64.28 2x95 h ILE 149 Cb 0.60 1.65 -0.01 0.00 -0.74 0.00 0.00 36.82 38.32 2x95 h ILE 149 CO 0.13 0.47 -0.01 -0.33 0.00 0.00 0.00 178.15 178.41 2x95 h GLU 150 N 0.39 0.20 -0.33 2.37 5.08 -1.22 -0.98 114.58 120.09 2x95 h GLU 150 Ca 0.04 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2x95 h GLU 150 Cb 0.88 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 2x95 h GLU 150 CO 0.07 0.23 0.16 1.49 -1.00 0.00 0.00 179.01 179.96 2x95 h GLU 151 N 0.20 0.48 -0.00 2.33 4.81 -1.16 -1.99 114.58 119.25 2x95 h GLU 151 Ca 0.05 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2x95 h GLU 151 Cb 0.15 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 2x95 h GLU 151 CO 0.00 0.44 0.00 0.28 -0.73 0.00 0.00 179.01 179.01 2x95 h VAL 152 N 0.40 1.18 -0.76 0.32 2.07 -1.20 -1.55 116.25 116.70 2x95 h VAL 152 Ca 0.11 -0.52 0.06 0.00 0.82 0.00 0.00 66.70 67.17 2x95 h VAL 152 Cb 0.12 1.53 -0.05 0.00 -1.52 0.00 0.00 31.29 31.38 2x95 h VAL 152 CO -0.01 0.14 0.50 0.40 0.02 0.00 0.00 177.57 178.61 2x95 h ILE 153 N -0.22 1.05 0.00 4.57 1.08 -1.20 0.16 117.51 122.94 2x95 h ILE 153 Ca 0.00 -0.29 -0.10 0.00 -0.39 0.00 0.00 64.86 64.09 2x95 h ILE 153 Cb 0.22 0.14 -0.01 0.00 -3.07 0.00 0.00 36.82 34.10 2x95 h ILE 153 CO 0.00 0.15 -0.67 0.77 -0.69 0.00 0.00 178.15 177.71 2x95 h SER 154 N 0.84 0.00 0.00 1.72 4.64 -1.29 -3.37 113.55 116.09 2x95 h SER 154 Ca 0.32 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.42 2x95 h SER 154 Cb 0.21 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.26 2x95 h SER 154 CO -0.11 0.41 -1.82 0.29 -0.87 0.00 0.00 176.83 174.73 2x95 n LYS 155 N -3.09 0.35 -2.00 4.77 5.02 -0.59 -4.79 118.16 117.83 2x95 n LYS 155 Ca -0.00 0.09 -0.41 0.00 -2.02 0.00 0.00 58.31 55.97 2x95 n LYS 155 Cb 0.72 -1.25 -0.01 0.00 -0.02 0.00 0.00 35.03 34.46 2x95 n LYS 155 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2x95 s SER 156 N -5.53 6.62 -0.19 4.39 0.15 0.50 -4.93 113.70 114.72 2x95 s SER 156 Ca -0.20 2.81 0.14 0.00 0.70 0.00 0.00 55.95 59.41 2x95 s SER 156 Cb 0.05 -2.65 0.40 0.00 -1.71 0.00 0.00 66.02 62.11 2x95 s SER 156 CO 0.32 -0.66 1.25 0.54 1.20 0.00 0.00 173.24 175.89 2x95 n ARG 157 N 0.74 1.63 -3.31 5.44 5.12 -1.26 -4.92 116.66 120.10 2x95 n ARG 157 Ca 0.01 -3.00 -0.45 0.00 -1.93 0.00 0.00 57.85 52.48 2x95 n ARG 157 Cb 0.41 -1.63 -0.06 0.00 -1.16 0.00 0.00 32.46 30.02 2x95 n ARG 157 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2x95 s ASP 158 N -2.91 6.17 0.48 0.55 -1.08 -1.26 -4.96 116.67 113.66 2x95 s ASP 158 Ca 0.37 -1.44 0.13 0.00 -0.52 0.00 0.00 52.55 51.09 2x95 s ASP 158 Cb 0.34 -2.22 1.11 0.00 -1.46 0.00 0.00 42.92 40.70 2x95 s ASP 158 CO -0.01 -0.79 2.11 1.12 0.52 0.00 0.00 175.17 178.12 2x95 h HIS 159 N 8.87 0.18 -0.07 -5.34 2.07 -1.97 -0.92 115.15 117.96 2x95 h HIS 159 Ca -0.29 0.00 -0.21 0.00 -2.85 0.00 0.00 60.37 57.02 2x95 h HIS 159 Cb 1.10 -0.06 0.00 0.00 2.57 0.00 0.00 27.41 31.03 2x95 h HIS 159 CO 0.70 0.13 -0.83 0.93 -3.07 0.00 0.00 177.93 175.79 2x95 h GLU 160 N 0.19 0.53 -0.31 5.12 5.08 -1.99 -1.94 114.58 121.25 2x95 h GLU 160 Ca 0.05 -0.48 -0.01 0.00 -1.00 0.00 0.00 59.36 57.93 2x95 h GLU 160 Cb 0.00 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2x95 h GLU 160 CO -0.01 1.11 0.16 1.49 -1.00 0.00 0.00 179.01 180.76 2x95 h GLU 161 N 0.34 0.44 -0.57 2.33 4.81 -1.77 -1.93 114.58 118.23 2x95 h GLU 161 Ca -0.06 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.14 2x95 h GLU 161 Cb 1.44 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 30.70 2x95 h GLU 161 CO 0.15 0.40 0.35 -0.07 -0.73 0.00 0.00 179.01 179.11 2x95 h LEU 162 N 0.38 0.58 -1.06 1.64 3.38 -1.19 -2.33 115.31 116.70 2x95 h LEU 162 Ca 0.11 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 2x95 h LEU 162 Cb 0.09 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2x95 h LEU 162 CO -0.02 0.41 -0.05 0.00 0.09 0.00 0.00 178.44 178.87 2x95 h ALA 163 N 1.25 1.22 0.19 1.53 0.00 -1.26 -1.22 119.26 120.97 2x95 h ALA 163 Ca 0.23 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2x95 h ALA 163 Cb 0.01 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2x95 h ALA 163 CO -0.09 0.51 -0.09 -0.92 0.00 0.00 0.00 179.25 178.66 2x95 h TYR 164 N 0.57 -0.23 -0.32 0.00 3.20 -0.95 -1.89 116.97 117.35 2x95 h TYR 164 Ca 0.11 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.87 2x95 h TYR 164 Cb 0.44 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 2x95 h TYR 164 CO 0.02 -0.12 -0.25 1.88 -1.64 0.00 0.00 178.16 178.06 2x95 h TYR 165 N -0.29 0.71 0.25 -3.82 0.05 -1.24 -1.43 116.97 111.20 2x95 h TYR 165 Ca -0.03 -0.16 0.00 0.00 0.05 0.00 0.00 58.73 58.60 2x95 h TYR 165 Cb 0.22 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 37.77 2x95 h TYR 165 CO -0.05 0.81 -0.26 2.35 -1.05 0.00 0.00 178.16 179.96 2x95 h TRP 166 N 0.55 -0.68 -0.20 4.88 7.01 -1.20 -1.48 115.95 124.84 2x95 h TRP 166 Ca 0.08 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.08 2x95 h TRP 166 Cb 0.71 0.27 -0.01 0.00 -2.10 0.00 0.00 29.16 28.03 2x95 h TRP 166 CO 0.03 -0.37 0.13 -0.09 -2.79 0.00 0.00 178.44 175.35 2x95 h ARG 167 N -0.54 0.26 -0.36 2.65 2.43 -1.13 -1.25 114.38 116.44 2x95 h ARG 167 Ca -0.00 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.18 2x95 h ARG 167 Cb 0.50 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.96 2x95 h ARG 167 CO -0.06 0.17 0.18 0.93 -1.51 0.00 0.00 179.97 179.68 2x95 h GLU 168 N 0.27 0.35 -0.12 0.20 4.39 -1.23 -1.63 114.58 116.82 2x95 h GLU 168 Ca 0.07 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 2x95 h GLU 168 Cb -0.03 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.53 2x95 h GLU 168 CO -0.02 0.23 -0.01 0.35 -1.16 0.00 0.00 179.01 178.41 2x95 h PHE 169 N 0.36 0.24 -0.81 4.33 3.57 -1.08 -2.74 116.94 120.82 2x95 h PHE 169 Ca 0.15 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 2x95 h PHE 169 Cb 0.06 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.70 2x95 h PHE 169 CO -0.10 0.48 0.38 1.88 -2.23 0.00 0.00 178.31 178.72 2x95 h TYR 170 N -0.06 1.17 -0.94 0.41 -1.99 -1.18 0.18 116.97 114.56 2x95 h TYR 170 Ca 0.03 -0.06 -0.00 0.00 2.00 0.00 0.00 58.73 60.71 2x95 h TYR 170 Cb 0.38 -0.36 -0.05 0.00 2.00 0.00 0.00 36.73 38.71 2x95 h TYR 170 CO 0.04 0.85 0.58 -0.44 -0.00 0.00 0.00 178.16 179.19 2x95 h ASP 171 N 1.16 1.12 0.28 3.88 3.32 -1.30 0.97 116.42 125.84 2x95 h ASP 171 Ca 0.28 -0.06 -0.34 0.00 0.02 0.00 0.00 57.03 56.94 2x95 h ASP 171 Cb 0.12 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 2x95 h ASP 171 CO -0.03 0.84 -1.76 0.11 -1.72 0.00 0.00 179.24 176.68 2x95 h LYS 172 N 1.29 0.28 0.00 3.56 1.57 -1.14 -3.01 116.57 119.12 2x95 h LYS 172 Ca 0.34 -0.47 -0.24 0.00 -1.87 0.00 0.00 60.65 58.41 2x95 h LYS 172 Cb -0.08 0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 2x95 h LYS 172 CO -0.07 1.15 -1.50 0.00 -0.57 0.00 0.00 179.45 178.46 2x95 h ALA 173 N 0.30 0.69 -0.46 3.86 0.00 -0.71 -3.39 119.26 119.55 2x95 h ALA 173 Ca -0.33 -1.19 0.00 0.00 0.00 0.00 0.00 54.91 53.38 2x95 h ALA 173 Cb 2.05 0.34 0.00 0.00 0.00 0.00 0.00 17.79 20.18 2x95 h ALA 173 CO 0.14 1.33 0.00 0.41 0.00 0.00 0.00 179.25 181.12 2x95 n GLY 174 N 1.47 -0.43 0.35 0.00 0.00 0.30 -3.60 105.19 103.28 2x95 n GLY 174 Ca -0.12 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.89 2x95 n GLY 174 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2x95 h THR 175 N 0.00 1.21 0.00 2.61 2.02 -0.80 -2.61 112.91 115.35 2x95 h THR 175 Ca 0.00 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 66.75 2x95 h THR 175 Cb 0.00 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.47 2x95 h THR 175 CO 0.00 0.22 0.14 0.00 0.37 0.00 0.00 175.52 176.24 2x95 h ALA 176 N 1.46 1.12 -0.09 6.16 0.00 -1.72 -2.53 119.26 123.66 2x95 h ALA 176 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2x95 h ALA 176 Cb -0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2x95 h ALA 176 CO -0.06 -0.12 0.00 0.28 0.00 0.00 0.00 179.25 179.35 2x95 n VAL 177 N -2.59 1.19 -0.10 0.00 0.31 -0.98 -4.76 118.33 111.41 2x95 n VAL 177 Ca -0.02 -1.22 -0.06 0.00 -0.01 0.00 0.00 64.34 63.03 2x95 n VAL 177 Cb 0.18 0.36 0.01 0.00 -0.91 0.00 0.00 33.84 33.48 2x95 n VAL 177 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2x95 h ARG 178 N 0.56 0.06 -0.49 5.55 2.43 -1.57 -0.02 114.38 120.91 2x95 h ARG 178 Ca 0.00 -0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.07 2x95 h ARG 178 Cb 0.67 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.19 2x95 h ARG 178 CO 0.01 0.04 -0.06 0.66 -1.51 0.00 0.00 179.97 179.11 2x95 h SER 179 N 0.06 0.85 -0.54 -3.80 4.64 -1.86 -0.82 113.55 112.08 2x95 h SER 179 Ca 0.17 -0.24 -0.09 0.00 -0.47 0.00 0.00 61.79 61.16 2x95 h SER 179 Cb 0.24 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 2x95 h SER 179 CO -0.31 0.95 -0.00 1.56 -0.87 0.00 0.00 176.83 178.16 2x95 h GLN 180 N 0.79 0.96 -0.59 4.77 7.50 -1.84 -2.62 115.11 124.08 2x95 h GLN 180 Ca 0.14 -0.31 -0.06 0.00 0.50 0.00 0.00 58.65 58.92 2x95 h GLN 180 Cb 0.56 -0.09 -0.03 0.00 0.05 0.00 0.00 27.48 27.98 2x95 h GLN 180 CO 0.03 0.97 0.13 0.35 -1.50 0.00 0.00 178.83 178.82 2x95 h PHE 181 N 0.84 0.96 -0.50 2.96 3.57 -0.58 -0.71 116.94 123.48 2x95 h PHE 181 Ca 0.15 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 2x95 h PHE 181 Cb 0.54 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 2x95 h PHE 181 CO 0.04 0.80 0.28 0.93 -2.23 0.00 0.00 178.31 178.14 2x95 h GLU 182 N 0.88 0.70 -0.30 1.11 5.08 -1.04 -1.29 114.58 119.72 2x95 h GLU 182 Ca 0.19 -0.08 -0.12 0.00 -1.00 0.00 0.00 59.36 58.35 2x95 h GLU 182 Cb 0.34 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2x95 h GLU 182 CO 0.00 0.53 -0.31 -0.09 -1.00 0.00 0.00 179.01 178.14 2x95 h ARG 183 N 0.67 0.63 -0.21 2.33 9.65 -1.23 -2.29 114.38 123.92 2x95 h ARG 183 Ca 0.18 -0.28 0.03 0.00 -1.10 0.00 0.00 59.98 58.81 2x95 h ARG 183 Cb 0.03 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.57 2x95 h ARG 183 CO -0.03 0.86 0.05 -0.92 2.80 0.00 0.00 179.97 182.74 2x95 h TYR 184 N 0.53 0.10 -0.48 2.20 3.20 -0.87 -1.30 116.97 120.35 2x95 h TYR 184 Ca 0.06 0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.99 2x95 h TYR 184 Cb 0.80 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 39.01 2x95 h TYR 184 CO 0.03 0.04 0.22 0.28 -1.64 0.00 0.00 178.16 177.10 2x95 h VAL 185 N 0.15 0.93 -0.34 1.81 2.07 -1.06 0.20 116.25 120.00 2x95 h VAL 185 Ca 0.10 -0.15 0.05 0.00 0.82 0.00 0.00 66.70 67.51 2x95 h VAL 185 Cb 0.08 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 2x95 h VAL 185 CO -0.12 0.08 0.07 -0.33 0.02 0.00 0.00 177.57 177.30 2x95 h GLU 186 N 0.44 0.18 0.02 1.57 5.08 -1.17 -1.14 114.58 119.56 2x95 h GLU 186 Ca 0.21 -0.01 -0.20 0.00 -1.00 0.00 0.00 59.36 58.36 2x95 h GLU 186 Cb 0.15 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 2x95 h GLU 186 CO -0.17 0.12 -0.93 -0.07 -1.00 0.00 0.00 179.01 176.97 2x95 h LEU 187 N 0.19 0.16 -0.77 1.33 3.38 -0.88 -1.56 115.31 117.16 2x95 h LEU 187 Ca 0.16 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2x95 h LEU 187 Cb 0.17 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 2x95 h LEU 187 CO -0.20 1.00 0.40 -1.13 0.09 0.00 0.00 178.44 178.59 2x95 h ASN 188 N 0.06 0.99 -0.22 -0.43 -0.73 -0.49 -1.20 115.58 113.55 2x95 h ASN 188 Ca -0.04 -0.12 -0.03 0.00 1.87 0.00 0.00 56.30 57.98 2x95 h ASN 188 Cb 1.59 -0.25 -0.01 0.00 0.27 0.00 0.00 38.32 39.92 2x95 h ASN 188 CO 0.13 0.82 0.02 0.74 -0.37 0.00 0.00 177.43 178.77 2x95 h THR 189 N 1.08 1.24 -0.66 -3.57 2.02 -1.09 -1.76 112.91 110.16 2x95 h THR 189 Ca 0.27 -0.82 0.04 0.00 0.77 0.00 0.00 66.41 66.67 2x95 h THR 189 Cb 0.07 1.35 -0.05 0.00 -1.74 0.00 0.00 68.15 67.79 2x95 h THR 189 CO -0.04 0.25 0.40 0.50 0.37 0.00 0.00 175.52 177.01 2x95 h LYS 190 N 0.16 0.75 -0.32 6.66 3.64 -1.16 -1.72 116.57 124.58 2x95 h LYS 190 Ca 0.07 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2x95 h LYS 190 Cb 0.36 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 2x95 h LYS 190 CO 0.01 0.50 0.20 0.00 -2.27 0.00 0.00 179.45 177.88 2x95 h ALA 191 N 1.30 0.41 -0.60 5.00 0.00 -1.16 -1.95 119.26 122.26 2x95 h ALA 191 Ca 0.27 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.17 2x95 h ALA 191 Cb 0.07 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 2x95 h ALA 191 CO -0.13 -0.09 0.35 0.00 0.00 0.00 0.00 179.25 179.39 2x95 h ALA 192 N 1.08 0.79 -0.01 0.00 0.00 -0.97 -2.21 119.26 117.93 2x95 h ALA 192 Ca 0.12 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 2x95 h ALA 192 Cb 0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2x95 h ALA 192 CO -0.02 0.07 -0.55 0.87 0.00 0.00 0.00 179.25 179.61 2x95 h LYS 193 N 0.69 0.03 0.00 0.00 1.57 -1.22 -0.55 116.57 117.09 2x95 h LYS 193 Ca 0.25 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.98 2x95 h LYS 193 Cb 0.07 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 2x95 h LYS 193 CO -0.12 0.57 -0.16 -0.07 -0.57 0.00 0.00 179.45 179.10 2x95 h LEU 194 N 0.02 0.00 -1.37 2.94 3.38 -1.01 -0.86 115.31 118.42 2x95 h LEU 194 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2x95 h LEU 194 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 2x95 h LEU 194 CO 0.07 0.16 0.00 0.59 0.09 0.00 0.00 178.44 179.35 2x95 n ASN 195 N -3.48 2.05 -1.39 -0.43 3.02 -0.80 -4.95 115.26 109.27 2x95 n ASN 195 Ca -0.01 -1.79 -0.16 0.00 -0.03 0.00 0.00 54.58 52.59 2x95 n ASN 195 Cb 0.32 -0.15 -0.05 0.00 -0.61 0.00 0.00 39.78 39.30 2x95 n ASN 195 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2x95 n ASN 196 N 0.58 -4.82 -4.86 6.41 3.02 -0.33 -5.03 115.26 110.23 2x95 n ASN 196 Ca 0.16 0.25 -0.32 0.00 -0.03 0.00 0.00 54.58 54.65 2x95 n ASN 196 Cb 0.38 -3.78 -0.05 0.00 -0.61 0.00 0.00 39.78 35.72 2x95 n ASN 196 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2x95 s PHE 197 N -2.65 3.41 0.21 3.10 0.08 -0.28 -4.98 117.98 116.87 2x95 s PHE 197 Ca 0.00 1.11 -0.10 0.00 0.12 0.00 0.00 56.93 58.06 2x95 s PHE 197 Cb 0.00 -2.46 0.18 0.00 -0.57 0.00 0.00 43.02 40.17 2x95 s PHE 197 CO 0.00 0.07 1.88 1.15 -0.10 0.00 0.00 175.22 178.21 2x95 h THR 198 N 1.72 1.17 -2.94 0.64 2.02 -1.95 -3.22 112.91 110.35 2x95 h THR 198 Ca -0.48 -0.35 0.01 0.00 0.77 0.00 0.00 66.41 66.36 2x95 h THR 198 Cb 1.18 0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 67.65 2x95 h THR 198 CO 0.65 0.19 0.31 -0.94 0.37 0.00 0.00 175.52 176.10 2x95 s SER 199 N -5.87 0.00 0.60 4.18 1.04 -1.26 -4.72 113.70 107.67 2x95 s SER 199 Ca -0.13 -1.08 0.36 0.00 0.48 0.00 0.00 55.95 55.58 2x95 s SER 199 Cb 0.16 0.81 1.94 0.00 0.10 0.00 0.00 66.02 69.02 2x95 s SER 199 CO 0.78 -1.60 2.24 1.23 0.98 0.00 0.00 173.24 176.87 2x95 h GLY 200 N 2.00 0.00 0.91 7.32 0.00 -1.81 -1.94 103.07 109.55 2x95 h GLY 200 Ca -0.31 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 2x95 h GLY 200 CO 0.40 0.00 -0.08 0.00 0.00 0.00 0.00 176.54 176.86 2x95 h ALA 201 N 1.97 -0.21 -0.29 3.60 0.00 -1.90 -1.28 119.26 121.15 2x95 h ALA 201 Ca -0.00 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 2x95 h ALA 201 Cb 0.13 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2x95 h ALA 201 CO 0.00 -0.57 -0.21 0.93 0.00 0.00 0.00 179.25 179.40 2x95 h GLU 202 N -0.30 0.55 -0.52 0.00 3.07 -1.82 -0.58 114.58 114.98 2x95 h GLU 202 Ca -0.02 -0.20 0.01 0.00 -0.50 0.00 0.00 59.36 58.66 2x95 h GLU 202 Cb 0.24 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.08 2x95 h GLU 202 CO 0.04 0.73 0.33 0.00 -1.40 0.00 0.00 179.01 178.70 2x95 h ALA 203 N 1.28 0.67 -0.19 3.43 0.00 -1.29 -1.25 119.26 121.92 2x95 h ALA 203 Ca 0.08 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2x95 h ALA 203 Cb 0.64 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2x95 h ALA 203 CO 0.05 0.07 0.02 -1.49 0.00 0.00 0.00 179.25 177.90 2x95 h TRP 204 N 0.67 0.33 0.00 0.00 6.55 -0.94 -3.18 115.95 119.39 2x95 h TRP 204 Ca 0.20 -0.05 -0.02 0.00 0.95 0.00 0.00 58.89 59.97 2x95 h TRP 204 Cb -0.03 -0.09 -0.00 0.00 -0.86 0.00 0.00 29.16 28.17 2x95 h TRP 204 CO -0.05 0.48 -0.09 -0.07 -1.05 0.00 0.00 178.44 177.65 2x95 h LEU 205 N 0.09 0.00 -2.00 -4.49 3.38 -0.94 -2.38 115.31 108.96 2x95 h LEU 205 Ca 0.06 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.19 2x95 h LEU 205 Cb 0.33 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 2x95 h LEU 205 CO 0.00 0.09 0.43 -0.78 0.09 0.00 0.00 178.44 178.28 2x95 h ASP 206 N 0.00 0.00 0.23 -0.43 3.58 -1.20 -1.47 116.42 117.12 2x95 h ASP 206 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2x95 h ASP 206 Cb 0.20 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.25 2x95 h ASP 206 CO 0.01 0.00 0.00 -0.33 -2.88 0.00 0.00 179.24 176.04 2x95 h GLU 207 N 0.00 0.00 -0.02 0.28 4.39 -1.59 -2.23 114.58 115.41 2x95 h GLU 207 Ca 0.27 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.97 2x95 h GLU 207 Cb 1.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 2x95 h GLU 207 CO -0.00 0.00 -0.23 0.66 -1.16 0.00 0.00 179.01 178.28 2x95 n TYR 208 N -2.59 0.00 -4.16 4.33 4.01 -0.55 -4.59 117.16 113.60 2x95 n TYR 208 Ca -0.01 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.44 2x95 n TYR 208 Cb 0.11 -0.01 -0.06 0.00 -0.31 0.00 0.00 39.34 39.06 2x95 n TYR 208 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2x95 n GLU 209 N 0.43 -2.00 -3.29 -0.72 1.02 -0.84 -4.91 120.64 110.33 2x95 n GLU 209 Ca 0.12 0.23 0.01 0.00 -0.02 0.00 0.00 57.16 57.51 2x95 n GLU 209 Cb 0.49 -4.05 -0.03 0.00 -0.02 0.00 0.00 31.44 27.83 2x95 n GLU 209 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2x95 s ASP 210 N -4.33 -1.09 0.00 1.62 3.68 -1.26 -5.01 116.67 110.27 2x95 s ASP 210 Ca 0.04 0.92 0.18 0.00 2.13 0.00 0.00 52.55 55.82 2x95 s ASP 210 Cb -0.02 2.02 0.90 0.00 -1.45 0.00 0.00 42.92 44.37 2x95 s ASP 210 CO 0.95 -0.26 1.57 -0.90 0.13 0.00 0.00 175.17 176.66 2x95 n ASP 211 N 5.42 0.00 -0.88 -0.34 5.75 -1.26 -2.11 116.55 123.14 2x95 n ASP 211 Ca -0.04 0.13 0.07 0.00 -0.01 0.00 0.00 54.79 54.95 2x95 n ASP 211 Cb 0.50 -0.33 0.23 0.00 -1.03 0.00 0.00 41.12 40.49 2x95 n ASP 211 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2x95 n THR 212 N -1.33 1.73 -0.20 2.12 -2.24 -1.26 -4.79 114.28 108.31 2x95 n THR 212 Ca 0.08 -1.45 -0.06 0.00 -2.27 0.00 0.00 64.05 60.35 2x95 n THR 212 Cb 0.16 0.09 0.04 0.00 -2.10 0.00 0.00 70.33 68.52 2x95 n THR 212 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2x95 h PHE 213 N 2.15 0.68 -0.41 4.78 3.57 -1.83 -1.49 116.94 124.40 2x95 h PHE 213 Ca 0.00 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.53 2x95 h PHE 213 Cb 1.17 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.66 2x95 h PHE 213 CO 0.43 0.41 0.26 0.93 -2.23 0.00 0.00 178.31 178.11 2x95 h GLU 214 N 0.73 0.52 -0.80 1.11 5.08 -1.86 -2.08 114.58 117.27 2x95 h GLU 214 Ca 0.22 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.52 2x95 h GLU 214 Cb -0.03 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.07 2x95 h GLU 214 CO -0.07 0.34 0.39 0.37 -1.00 0.00 0.00 179.01 179.03 2x95 h GLN 215 N 0.53 1.15 -0.45 2.33 5.75 -1.83 -0.99 115.11 121.60 2x95 h GLN 215 Ca 0.16 -0.17 0.04 0.00 -0.15 0.00 0.00 58.65 58.53 2x95 h GLN 215 Cb -0.04 -0.21 -0.04 0.00 1.07 0.00 0.00 27.48 28.26 2x95 h GLN 215 CO -0.05 0.89 0.21 1.96 -2.65 0.00 0.00 178.83 179.19 2x95 h GLN 216 N 1.13 0.40 -0.53 1.69 4.20 -0.98 0.41 115.11 121.43 2x95 h GLN 216 Ca 0.27 -0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.86 2x95 h GLN 216 Cb 0.12 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 2x95 h GLN 216 CO -0.03 0.27 -0.05 -0.07 -0.67 0.00 0.00 178.83 178.27 2x95 h LEU 217 N 0.42 0.96 -0.50 1.46 3.38 -1.13 -0.83 115.31 119.06 2x95 h LEU 217 Ca 0.20 -0.33 0.05 0.00 0.09 0.00 0.00 57.88 57.89 2x95 h LEU 217 Cb 0.13 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.57 2x95 h LEU 217 CO -0.16 1.06 0.23 -0.33 0.09 0.00 0.00 178.44 179.33 2x95 h GLU 218 N 0.84 0.43 -0.33 1.13 4.39 -0.79 0.14 114.58 120.40 2x95 h GLU 218 Ca 0.14 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.81 2x95 h GLU 218 Cb 0.60 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.14 2x95 h GLU 218 CO 0.04 0.29 0.16 -0.44 -1.16 0.00 0.00 179.01 177.90 2x95 h ASP 219 N 0.45 0.44 -0.02 1.42 3.32 -0.65 -0.83 116.42 120.53 2x95 h ASP 219 Ca 0.23 -0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 2x95 h ASP 219 Cb 0.18 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 2x95 h ASP 219 CO -0.19 0.44 0.01 0.40 -1.72 0.00 0.00 179.24 178.18 2x95 h ILE 220 N 0.40 1.17 -0.77 0.35 2.04 -0.96 -2.87 117.51 116.88 2x95 h ILE 220 Ca 0.11 -0.51 0.08 0.00 1.00 0.00 0.00 64.86 65.55 2x95 h ILE 220 Cb 0.11 1.47 -0.07 0.00 -0.74 0.00 0.00 36.82 37.60 2x95 h ILE 220 CO -0.01 0.14 0.43 0.15 0.00 0.00 0.00 178.15 178.85 2x95 h PHE 221 N -0.17 0.79 -0.22 1.37 3.57 -0.64 -1.62 116.94 120.02 2x95 h PHE 221 Ca 0.01 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 2x95 h PHE 221 Cb 0.21 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 2x95 h PHE 221 CO -0.00 0.35 0.10 0.00 -2.23 0.00 0.00 178.31 176.53 2x95 h ALA 222 N 1.41 1.76 -0.20 2.41 0.00 -1.09 0.18 119.26 123.73 2x95 h ALA 222 Ca 0.36 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 55.07 2x95 h ALA 222 Cb 0.28 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2x95 h ALA 222 CO -0.22 0.20 -0.47 -0.44 0.00 0.00 0.00 179.25 178.32 2x95 h ASP 223 N 0.31 0.57 0.85 0.00 3.32 -1.08 -3.29 116.42 117.11 2x95 h ASP 223 Ca 0.08 -0.27 -0.12 0.00 0.02 0.00 0.00 57.03 56.73 2x95 h ASP 223 Cb 0.04 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 2x95 h ASP 223 CO -0.01 0.95 -1.22 0.40 -1.72 0.00 0.00 179.24 177.64 2x95 h ILE 224 N 0.42 0.41 -0.77 0.35 1.08 -1.00 -3.39 117.51 114.60 2x95 h ILE 224 Ca 0.02 -1.77 0.17 0.00 -0.39 0.00 0.00 64.86 62.89 2x95 h ILE 224 Cb 0.98 1.94 -0.11 0.00 -3.07 0.00 0.00 36.82 36.56 2x95 h ILE 224 CO 0.09 0.23 0.22 -0.09 -0.69 0.00 0.00 178.15 177.91 2x95 h ARG 225 N 0.00 0.29 -0.97 2.37 2.43 -0.74 -1.40 114.38 116.37 2x95 h ARG 225 Ca -0.11 -0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.12 2x95 h ARG 225 Cb 1.43 -0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 30.84 2x95 h ARG 225 CO 0.04 0.19 0.61 -1.35 -1.51 0.00 0.00 179.97 177.95 2x95 h PRO 226 N 0.30 1.03 -0.81 0.20 0.11 -1.76 -1.16 132.00 129.92 2x95 h PRO 226 Ca 0.44 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.45 2x95 h PRO 226 Cb 0.77 -0.23 -0.04 0.00 0.11 0.00 0.00 31.00 31.61 2x95 h PRO 226 CO -0.51 0.68 0.36 1.25 -0.21 0.00 0.00 178.00 179.57 2x95 h LEU 227 N 1.07 1.08 -0.65 2.35 5.85 -1.55 -2.39 115.31 121.07 2x95 h LEU 227 Ca 0.44 -0.15 0.03 0.00 0.84 0.00 0.00 57.88 59.04 2x95 h LEU 227 Cb 0.27 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 2x95 h LEU 227 CO -0.20 0.93 0.40 0.22 -0.34 0.00 0.00 178.44 179.45 2x95 h TYR 228 N 1.16 0.75 -0.83 1.25 3.20 -0.94 -1.73 116.97 119.82 2x95 h TYR 228 Ca 0.27 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.19 2x95 h TYR 228 Cb 0.16 -0.24 -0.04 0.00 1.54 0.00 0.00 36.73 38.15 2x95 h TYR 228 CO 0.02 0.42 0.55 1.96 -1.64 0.00 0.00 178.16 179.47 2x95 h GLN 229 N 0.78 1.05 -0.41 1.82 1.08 -0.89 0.14 115.11 118.68 2x95 h GLN 229 Ca 0.26 -0.06 -0.10 0.00 -1.45 0.00 0.00 58.65 57.30 2x95 h GLN 229 Cb 0.03 -0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 27.21 2x95 h GLN 229 CO -0.11 0.69 -0.12 1.96 -0.95 0.00 0.00 178.83 180.31 2x95 h GLN 230 N 1.08 0.81 -0.25 1.46 1.08 -0.98 -1.13 115.11 117.18 2x95 h GLN 230 Ca 0.32 -0.32 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 2x95 h GLN 230 Cb -0.04 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.34 2x95 h GLN 230 CO -0.08 0.94 0.04 0.82 -0.95 0.00 0.00 178.83 179.59 2x95 h ILE 231 N 0.62 1.23 -0.15 2.54 2.04 -0.78 -1.83 117.51 121.19 2x95 h ILE 231 Ca 0.10 -0.78 0.04 0.00 1.00 0.00 0.00 64.86 65.22 2x95 h ILE 231 Cb 0.65 1.27 -0.04 0.00 -0.74 0.00 0.00 36.82 37.96 2x95 h ILE 231 CO 0.04 0.25 -0.10 -0.74 0.00 0.00 0.00 178.15 177.61 2x95 h HIS 232 N 0.21 -0.23 -0.57 1.37 2.76 -0.71 -0.39 115.15 117.59 2x95 h HIS 232 Ca 0.07 0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.29 2x95 h HIS 232 Cb 0.34 0.13 -0.04 0.00 1.55 0.00 0.00 27.41 29.39 2x95 h HIS 232 CO 0.02 -0.15 0.35 0.78 -1.30 0.00 0.00 177.93 177.63 2x95 h GLY 233 N -0.10 0.81 0.99 5.26 0.00 -1.13 -1.01 103.07 107.90 2x95 h GLY 233 Ca 0.09 -0.26 -0.09 0.00 0.00 0.00 0.00 47.33 47.07 2x95 h GLY 233 CO -0.21 0.22 -0.11 -1.82 0.00 0.00 0.00 176.54 174.62 2x95 h TYR 234 N 0.68 0.90 -0.47 5.60 5.03 -1.11 -1.90 116.97 125.71 2x95 h TYR 234 Ca 0.23 -0.20 0.00 0.00 2.58 0.00 0.00 58.73 61.34 2x95 h TYR 234 Cb 0.03 -0.22 -0.02 0.00 1.55 0.00 0.00 36.73 38.07 2x95 h TYR 234 CO -0.06 0.93 0.29 0.28 -1.32 0.00 0.00 178.16 178.28 2x95 h VAL 235 N 0.61 1.14 -0.60 1.81 2.07 -0.86 -1.44 116.25 118.98 2x95 h VAL 235 Ca 0.10 -0.29 0.01 0.00 0.82 0.00 0.00 66.70 67.34 2x95 h VAL 235 Cb 0.64 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 2x95 h VAL 235 CO 0.04 0.14 0.40 -0.09 0.02 0.00 0.00 177.57 178.08 2x95 h ARG 236 N 0.62 0.80 -0.42 1.57 2.43 -1.11 0.69 114.38 118.96 2x95 h ARG 236 Ca 0.17 -0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.33 2x95 h ARG 236 Cb -0.03 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 29.30 2x95 h ARG 236 CO -0.03 0.53 0.20 0.35 -1.51 0.00 0.00 179.97 179.50 2x95 h PHE 237 N 0.82 0.37 -0.29 2.20 3.57 -1.13 -1.39 116.94 121.09 2x95 h PHE 237 Ca 0.22 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.61 2x95 h PHE 237 Cb -0.09 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.53 2x95 h PHE 237 CO -0.03 0.18 -0.35 0.00 -2.23 0.00 0.00 178.31 175.88 2x95 h ARG 238 N 0.40 0.64 -0.30 1.11 2.47 -0.80 -2.88 114.38 115.02 2x95 h ARG 238 Ca 0.18 -0.30 -0.07 0.00 -1.26 0.00 0.00 59.98 58.53 2x95 h ARG 238 Cb 0.10 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.40 2x95 h ARG 238 CO -0.14 0.89 -0.13 -0.07 0.56 0.00 0.00 179.97 181.09 2x95 h LEU 239 N 0.53 0.49 -1.07 3.04 3.38 -0.65 -2.59 115.31 118.44 2x95 h LEU 239 Ca 0.06 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 2x95 h LEU 239 Cb 0.85 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 2x95 h LEU 239 CO 0.07 0.65 0.24 0.03 0.09 0.00 0.00 178.44 179.52 2x95 h ARG 240 N 0.47 0.90 0.00 1.13 3.08 -1.05 0.19 114.38 119.10 2x95 h ARG 240 Ca 0.09 -0.15 -0.10 0.00 0.07 0.00 0.00 59.98 59.89 2x95 h ARG 240 Cb 0.50 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 2x95 h ARG 240 CO 0.03 0.74 -0.48 0.87 -1.07 0.00 0.00 179.97 180.07 2x95 h LYS 241 N 0.89 0.00 0.00 0.04 1.57 -1.30 -0.19 116.57 117.58 2x95 h LYS 241 Ca 0.21 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.95 2x95 h LYS 241 Cb 0.18 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 2x95 h LYS 241 CO -0.02 0.48 -0.25 1.25 -0.57 0.00 0.00 179.45 180.34 2x95 h HIS 242 N 0.00 0.00 0.00 -1.35 2.76 -1.06 -3.40 115.15 112.10 2x95 h HIS 242 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2x95 h HIS 242 Cb 0.85 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.81 2x95 h HIS 242 CO 0.00 0.71 -1.23 0.66 -1.30 0.00 0.00 177.93 176.77 2x95 n TYR 243 N -4.63 0.39 0.00 5.26 4.01 0.63 -5.09 117.16 117.74 2x95 n TYR 243 Ca -0.11 0.11 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 2x95 n TYR 243 Cb 0.36 -0.58 0.00 0.00 -0.31 0.00 0.00 39.34 38.80 2x95 n TYR 243 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2x95 n GLY 244 N 1.30 -0.41 0.00 2.72 0.00 -0.08 -4.46 105.19 104.26 2x95 n GLY 244 Ca 0.00 -1.70 0.13 0.00 0.00 0.00 0.00 46.02 44.45 2x95 n GLY 244 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2x95 n ASP 245 N -1.24 0.00 0.16 1.61 8.00 -1.26 -2.20 116.55 121.62 2x95 n ASP 245 Ca 0.00 0.47 0.01 0.00 0.71 0.00 0.00 54.79 55.98 2x95 n ASP 245 Cb 0.00 -0.49 0.26 0.00 -0.02 0.00 0.00 41.12 40.87 2x95 n ASP 245 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2x95 h ALA 246 N 2.95 1.08 0.04 2.24 0.00 -1.95 -3.35 119.26 120.26 2x95 h ALA 246 Ca 0.00 -0.46 -0.38 0.00 0.00 0.00 0.00 54.91 54.07 2x95 h ALA 246 Cb 0.45 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 2x95 h ALA 246 CO 0.00 0.63 -2.28 0.28 0.00 0.00 0.00 179.25 177.87 2x95 n VAL 247 N -3.81 1.58 -4.34 0.00 0.31 -1.10 -4.93 118.33 106.04 2x95 n VAL 247 Ca -0.01 -0.55 -0.30 0.00 -0.01 0.00 0.00 64.34 63.47 2x95 n VAL 247 Cb 0.54 -1.59 -0.17 0.00 -0.91 0.00 0.00 33.84 31.71 2x95 n VAL 247 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2x95 s VAL 248 N -2.52 1.62 0.34 2.52 1.01 -0.94 -4.81 120.40 117.62 2x95 s VAL 248 Ca -0.31 -0.70 -0.06 0.00 0.00 0.00 0.00 61.98 60.91 2x95 s VAL 248 Cb 0.09 -1.48 -0.05 0.00 0.00 0.00 0.00 36.38 34.93 2x95 s VAL 248 CO 0.64 0.47 0.62 -0.94 0.00 0.00 0.00 175.10 175.88 2x95 s SER 249 N 1.12 6.43 0.21 3.32 1.04 -1.26 -4.18 113.70 120.39 2x95 s SER 249 Ca -0.03 0.80 -0.02 0.00 0.48 0.00 0.00 55.95 57.18 2x95 s SER 249 Cb -0.14 -2.18 0.18 0.00 0.10 0.00 0.00 66.02 63.98 2x95 s SER 249 CO -0.05 -0.28 1.57 -0.08 0.98 0.00 0.00 173.24 175.38 2x95 h GLU 250 N 1.38 0.58 0.00 4.02 4.81 -1.94 -3.35 114.58 120.07 2x95 h GLU 250 Ca -0.48 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 58.45 2x95 h GLU 250 Cb 1.19 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.59 2x95 h GLU 250 CO 0.65 0.90 -0.79 0.25 -0.73 0.00 0.00 179.01 179.29 2x95 n THR 251 N -4.02 0.00 -2.76 0.32 -2.24 -1.26 -4.85 114.28 99.47 2x95 n THR 251 Ca -0.02 -0.20 -0.20 0.00 -2.27 0.00 0.00 64.05 61.36 2x95 n THR 251 Cb 0.53 0.87 0.03 0.00 -2.10 0.00 0.00 70.33 69.67 2x95 n THR 251 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2x95 s GLY 252 N -2.48 1.84 0.63 3.38 0.00 -1.26 -1.36 107.32 108.07 2x95 s GLY 252 Ca 0.04 -1.39 -0.19 0.00 0.00 0.00 0.00 44.72 43.18 2x95 s GLY 252 CO 0.56 -1.14 1.31 -1.05 0.00 0.00 0.00 173.10 172.77 2x95 n PRO 253 N -2.20 1.21 -2.34 2.90 -0.02 -1.26 -4.79 135.00 128.50 2x95 n PRO 253 Ca 0.07 0.47 -0.42 0.00 -2.02 0.00 0.00 63.50 61.60 2x95 n PRO 253 Cb 0.59 -2.55 -0.03 0.00 -0.02 0.00 0.00 33.50 31.50 2x95 n PRO 253 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2x95 s ILE 254 N -1.37 3.80 0.00 4.25 1.01 -0.37 -4.76 121.20 123.76 2x95 s ILE 254 Ca 0.81 1.29 -0.30 0.00 0.00 0.00 0.00 60.65 62.45 2x95 s ILE 254 Cb -0.39 -3.83 -0.08 0.00 0.01 0.00 0.00 42.46 38.18 2x95 s ILE 254 CO 0.41 0.10 1.96 -2.84 0.00 0.00 0.00 174.94 174.57 2x95 s PRO 255 N 1.10 4.04 0.47 2.79 0.02 -1.26 -1.88 135.00 140.28 2x95 s PRO 255 Ca 0.61 2.51 0.25 0.00 0.02 0.00 0.00 61.00 64.39 2x95 s PRO 255 Cb -0.32 -4.17 1.07 0.00 0.02 0.00 0.00 34.50 31.11 2x95 s PRO 255 CO 0.29 -1.06 1.89 0.00 -0.33 0.00 0.00 177.00 177.80 2x95 h MET 256 N 10.93 0.00 0.00 5.54 -0.00 -1.32 -2.81 114.93 127.26 2x95 h MET 256 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.22 2x95 h MET 256 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.83 2x95 h MET 256 CO 0.94 0.19 0.00 -2.39 -0.00 0.00 0.00 176.91 175.66 2x95 n HIS 257 N -3.43 0.05 1.28 -0.10 1.44 -1.26 -2.29 115.22 110.91 2x95 n HIS 257 Ca -0.00 0.02 0.13 0.00 -2.01 0.00 0.00 57.72 55.85 2x95 n HIS 257 Cb 0.38 -0.53 0.39 0.00 0.12 0.00 0.00 29.99 30.35 2x95 n HIS 257 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2x95 n LEU 258 N -1.54 1.96 -1.27 2.39 4.77 -1.06 -4.37 117.00 117.88 2x95 n LEU 258 Ca 0.03 -0.70 0.12 0.00 -0.03 0.00 0.00 56.01 55.43 2x95 n LEU 258 Cb 0.15 -0.03 0.28 0.00 -2.33 0.00 0.00 43.42 41.50 2x95 n LEU 258 CO 0.12 0.35 0.75 0.18 -1.33 0.00 0.00 177.39 177.46 2x95 n LEU 259 N 0.53 3.71 0.00 2.23 4.77 -0.97 -4.95 117.00 122.32 2x95 n LEU 259 Ca 0.17 -1.77 0.00 0.00 -0.03 0.00 0.00 56.01 54.39 2x95 n LEU 259 Cb 0.42 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 2x95 n LEU 259 CO 0.16 0.88 0.00 0.61 -1.33 0.00 0.00 177.39 177.71 2x95 n GLY 260 N 1.60 0.56 3.17 -0.72 0.00 -1.26 -4.32 105.19 104.21 2x95 n GLY 260 Ca 0.22 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.12 2x95 n GLY 260 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2x95 s ASN 261 N -2.11 -0.32 0.54 1.61 3.84 -1.26 -4.00 114.94 113.24 2x95 s ASN 261 Ca 0.00 0.61 0.26 0.00 0.21 0.00 0.00 52.86 53.94 2x95 s ASN 261 Cb 0.00 0.58 1.42 0.00 -0.55 0.00 0.00 41.25 42.70 2x95 s ASN 261 CO 0.00 -0.12 1.99 -0.03 -2.79 0.00 0.00 177.10 176.15 2x95 h MET 262 N 6.10 0.00 -0.12 0.43 1.85 -1.92 -1.56 114.93 119.70 2x95 h MET 262 Ca -0.30 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.79 2x95 h MET 262 Cb 1.18 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.21 2x95 h MET 262 CO 0.33 0.00 0.00 0.91 -0.40 0.00 0.00 176.91 177.75 2x95 n TRP 263 N -4.30 0.16 -2.76 1.39 8.01 -1.26 -4.98 117.44 113.69 2x95 n TRP 263 Ca 0.09 -0.27 -0.16 0.00 -1.31 0.00 0.00 57.50 55.86 2x95 n TRP 263 Cb 0.61 -0.02 -0.00 0.00 -2.01 0.00 0.00 31.31 29.88 2x95 n TRP 263 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2x95 n ALA 264 N 0.26 -0.89 0.16 6.99 0.00 -0.59 -4.87 120.51 121.57 2x95 n ALA 264 Ca 0.06 0.10 0.05 0.00 0.00 0.00 0.00 53.44 53.65 2x95 n ALA 264 Cb 0.28 -1.97 0.06 0.00 0.00 0.00 0.00 19.45 17.83 2x95 n ALA 264 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2x95 h GLN 265 N -0.37 0.00 -3.17 0.00 3.07 -1.93 -3.45 115.11 109.26 2x95 h GLN 265 Ca -0.33 0.00 -0.18 0.00 0.09 0.00 0.00 58.65 58.23 2x95 h GLN 265 Cb 1.23 0.00 -0.27 0.00 0.08 0.00 0.00 27.48 28.53 2x95 h GLN 265 CO 0.40 0.34 -0.47 -1.14 0.09 0.00 0.00 178.83 178.05 2x95 s GLN 266 N -3.04 0.24 -0.06 0.06 0.74 -1.26 -3.32 119.66 113.02 2x95 s GLN 266 Ca 0.05 0.35 0.11 0.00 0.05 0.00 0.00 55.36 55.92 2x95 s GLN 266 Cb 0.07 0.06 0.32 0.00 1.10 0.00 0.00 33.01 34.56 2x95 s GLN 266 CO 0.73 -0.06 1.26 0.91 -0.55 0.00 0.00 175.29 177.57 2x95 n TRP 267 N 3.28 0.50 0.29 1.67 8.01 -0.30 -4.42 117.44 126.46 2x95 n TRP 267 Ca -0.16 -0.64 0.15 0.00 -1.31 0.00 0.00 57.50 55.54 2x95 n TRP 267 Cb 0.57 -0.12 0.86 0.00 -2.01 0.00 0.00 31.31 30.61 2x95 n TRP 267 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 2x95 h SER 268 N 1.51 0.00 0.65 -0.99 4.64 -1.83 -2.13 113.55 115.40 2x95 h SER 268 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2x95 h SER 268 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 2x95 h SER 268 CO 0.06 0.06 0.00 -0.33 -0.87 0.00 0.00 176.83 175.75 2x95 h GLU 269 N 0.00 0.00 -0.51 4.77 4.39 -1.84 -2.36 114.58 119.03 2x95 h GLU 269 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2x95 h GLU 269 Cb 0.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 2x95 h GLU 269 CO 0.01 0.00 0.00 0.44 -1.16 0.00 0.00 179.01 178.30 2x95 n ILE 270 N -2.77 1.72 -0.18 3.13 -5.35 -0.80 -4.63 119.36 110.48 2x95 n ILE 270 Ca 0.00 -1.29 0.14 0.00 -0.27 0.00 0.00 62.75 61.33 2x95 n ILE 270 Cb 0.21 0.14 0.46 0.00 -1.74 0.00 0.00 39.64 38.72 2x95 n ILE 270 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2x95 h ALA 271 N 3.18 2.01 0.00 -1.28 0.00 -1.53 -1.72 119.26 119.92 2x95 h ALA 271 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2x95 h ALA 271 Cb 1.28 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 2x95 h ALA 271 CO 0.17 -0.21 -0.03 0.38 0.00 0.00 0.00 179.25 179.57 2x95 h ASP 272 N 0.51 0.00 -0.00 0.00 2.03 -1.83 -0.60 116.42 116.52 2x95 h ASP 272 Ca 0.38 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.68 2x95 h ASP 272 Cb 0.75 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.25 2x95 h ASP 272 CO -0.13 0.03 -0.64 2.30 -1.03 0.00 0.00 179.24 179.76 2x95 n ILE 273 N -3.47 0.00 -0.06 4.15 -5.35 -0.67 -4.60 119.36 109.36 2x95 n ILE 273 Ca -0.02 -0.18 0.00 0.00 -0.27 0.00 0.00 62.75 62.28 2x95 n ILE 273 Cb 0.13 1.01 0.00 0.00 -1.74 0.00 0.00 39.64 39.04 2x95 n ILE 273 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 2x95 n VAL 274 N -1.26 0.43 -2.06 7.28 0.24 -1.05 -4.80 118.33 117.11 2x95 n VAL 274 Ca 0.03 -0.68 -0.41 0.00 -2.04 0.00 0.00 64.34 61.23 2x95 n VAL 274 Cb 0.22 0.82 -0.02 0.00 -1.47 0.00 0.00 33.84 33.39 2x95 n VAL 274 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2x95 s SER 275 N -0.43 6.71 0.27 -1.34 1.04 -0.26 -4.92 113.70 114.77 2x95 s SER 275 Ca 0.00 2.64 0.01 0.00 0.48 0.00 0.00 55.95 59.08 2x95 s SER 275 Cb 0.00 -2.63 0.61 0.00 0.10 0.00 0.00 66.02 64.11 2x95 s SER 275 CO 0.00 -0.65 1.71 -0.65 0.98 0.00 0.00 173.24 174.64 2x95 h PRO 276 N 4.69 0.43 -3.07 4.02 0.11 -1.90 -3.33 132.00 132.94 2x95 h PRO 276 Ca -0.47 -0.03 -0.62 0.00 0.11 0.00 0.00 66.00 65.00 2x95 h PRO 276 Cb 1.22 -0.10 -0.40 0.00 0.11 0.00 0.00 31.00 31.83 2x95 h PRO 276 CO 0.75 0.28 -0.71 -0.06 -0.21 0.00 0.00 178.00 178.05 2x95 s PHE 277 N -5.94 2.25 0.28 0.65 0.08 -1.26 -4.99 117.98 109.04 2x95 s PHE 277 Ca -0.12 -2.59 0.35 0.00 0.12 0.00 0.00 56.93 54.69 2x95 s PHE 277 Cb 0.23 -2.09 1.61 0.00 -0.57 0.00 0.00 43.02 42.20 2x95 s PHE 277 CO 0.77 -0.77 2.08 -1.35 -0.10 0.00 0.00 175.22 175.85 2x95 h PRO 278 N 6.67 0.00 -0.01 0.24 0.11 -1.96 -1.86 132.00 135.19 2x95 h PRO 278 Ca -0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.09 2x95 h PRO 278 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 2x95 h PRO 278 CO 0.53 0.03 -0.15 0.39 -0.21 0.00 0.00 178.00 178.59 2x95 n GLU 279 N -3.17 0.82 -4.25 1.05 1.02 -1.26 -4.87 120.64 109.98 2x95 n GLU 279 Ca -0.01 -0.37 -0.25 0.00 -0.02 0.00 0.00 57.16 56.52 2x95 n GLU 279 Cb 0.25 -1.49 -0.07 0.00 -0.02 0.00 0.00 31.44 30.10 2x95 n GLU 279 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2x95 s LYS 280 N -2.43 2.36 0.34 3.49 -0.14 -0.70 -5.08 119.74 117.58 2x95 s LYS 280 Ca 0.29 -1.25 -0.28 0.00 -1.36 0.00 0.00 55.97 53.36 2x95 s LYS 280 Cb 0.20 -2.27 -0.12 0.00 -1.68 0.00 0.00 37.83 33.96 2x95 s LYS 280 CO 0.48 0.41 1.31 -0.35 -0.76 0.00 0.00 175.35 176.44 2x95 n PRO 281 N -0.52 2.18 -4.17 -1.68 -0.04 -1.26 -4.93 135.00 124.58 2x95 n PRO 281 Ca -0.08 0.76 -0.28 0.00 -0.04 0.00 0.00 63.50 63.86 2x95 n PRO 281 Cb 0.57 -2.36 -0.17 0.00 -0.04 0.00 0.00 33.50 31.50 2x95 n PRO 281 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2x95 s LEU 282 N -1.09 1.53 -0.12 1.53 2.96 -1.26 -4.78 118.68 117.45 2x95 s LEU 282 Ca 0.55 -0.39 -0.29 0.00 -0.22 0.00 0.00 54.13 53.78 2x95 s LEU 282 Cb -0.56 -1.01 -0.03 0.00 0.50 0.00 0.00 46.19 45.09 2x95 s LEU 282 CO 0.62 -0.05 1.47 -0.69 -1.32 0.00 0.00 176.35 176.38 2x95 s VAL 283 N 1.32 3.92 -0.35 1.68 1.01 -1.26 -4.95 120.40 121.78 2x95 s VAL 283 Ca -0.00 1.10 0.03 0.00 0.00 0.00 0.00 61.98 63.11 2x95 s VAL 283 Cb -0.14 -3.74 0.16 0.00 0.00 0.00 0.00 36.38 32.66 2x95 s VAL 283 CO -0.06 -0.13 0.42 -0.62 0.00 0.00 0.00 175.10 174.72 2x95 s ASP 284 N 2.79 0.55 0.00 3.32 3.68 -1.26 -5.05 116.67 120.71 2x95 s ASP 284 Ca 0.64 -1.08 0.25 0.00 2.13 0.00 0.00 52.55 54.49 2x95 s ASP 284 Cb -0.27 0.93 0.91 0.00 -1.45 0.00 0.00 42.92 43.05 2x95 s ASP 284 CO 0.23 -0.28 1.66 1.33 0.13 0.00 0.00 175.17 178.24 2x95 n VAL 285 N 4.63 0.08 -0.22 1.11 0.24 -1.26 -4.32 118.33 118.60 2x95 n VAL 285 Ca 0.07 -0.30 0.01 0.00 -2.04 0.00 0.00 64.34 62.08 2x95 n VAL 285 Cb 0.48 0.49 0.12 0.00 -1.47 0.00 0.00 33.84 33.46 2x95 n VAL 285 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2x95 h SER 286 N 2.41 0.33 -0.45 -1.34 0.02 -1.91 -0.73 113.55 111.87 2x95 h SER 286 Ca 0.00 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2x95 h SER 286 Cb 0.52 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.06 2x95 h SER 286 CO 0.00 0.19 0.29 0.00 -1.14 0.00 0.00 176.83 176.17 2x95 h ALA 287 N 1.42 0.57 -0.08 3.77 0.00 -1.91 -2.26 119.26 120.77 2x95 h ALA 287 Ca 0.32 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.09 2x95 h ALA 287 Cb 0.37 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2x95 h ALA 287 CO -0.29 0.04 -0.40 0.93 0.00 0.00 0.00 179.25 179.54 2x95 h GLU 288 N 0.61 0.17 -0.24 0.00 4.39 -1.71 -1.16 114.58 116.64 2x95 h GLU 288 Ca 0.16 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.79 2x95 h GLU 288 Cb -0.04 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 2x95 h GLU 288 CO -0.03 0.54 0.15 0.52 -1.16 0.00 0.00 179.01 179.03 2x95 h MET 289 N 0.14 0.32 -0.56 2.33 2.86 -0.87 -1.20 114.93 117.96 2x95 h MET 289 Ca 0.01 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.58 2x95 h MET 289 Cb 0.77 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.34 2x95 h MET 289 CO 0.06 0.23 0.15 0.93 1.06 0.00 0.00 176.91 179.34 2x95 h GLU 290 N 0.30 0.89 -0.34 1.72 5.08 -1.18 -1.28 114.58 119.77 2x95 h GLU 290 Ca 0.09 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.20 2x95 h GLU 290 Cb -0.01 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 2x95 h GLU 290 CO -0.02 0.82 0.04 -0.22 -1.00 0.00 0.00 179.01 178.63 2x95 h LYS 291 N 0.79 0.51 -0.04 2.33 3.64 -1.08 -2.37 116.57 120.35 2x95 h LYS 291 Ca 0.18 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2x95 h LYS 291 Cb 0.33 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2x95 h LYS 291 CO -0.00 0.51 0.00 1.04 -2.27 0.00 0.00 179.45 178.73 2x95 n GLN 292 N -4.31 1.52 -2.02 1.90 6.02 -0.46 -4.94 117.38 115.09 2x95 n GLN 292 Ca 0.02 -0.77 -0.02 0.00 -0.01 0.00 0.00 57.00 56.22 2x95 n GLN 292 Cb 0.21 -1.46 -0.00 0.00 1.02 0.00 0.00 30.24 30.01 2x95 n GLN 292 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2x95 n GLY 293 N 1.12 0.30 3.74 1.08 0.00 -0.89 -5.02 105.19 105.51 2x95 n GLY 293 Ca 0.19 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 2x95 n GLY 293 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2x95 n TYR 294 N -3.99 2.56 -4.37 1.61 0.53 -0.50 -5.04 117.16 107.95 2x95 n TYR 294 Ca -0.02 0.48 -0.19 0.00 -1.02 0.00 0.00 57.90 57.15 2x95 n TYR 294 Cb 0.51 -2.45 -0.10 0.00 -1.03 0.00 0.00 39.34 36.27 2x95 n TYR 294 CO 0.00 0.00 0.00 0.95 -1.02 0.00 0.00 176.86 176.79 2x95 s THR 295 N -1.15 1.59 0.27 -0.72 -4.23 -1.26 -4.86 115.64 105.27 2x95 s THR 295 Ca 0.58 -2.15 -0.00 0.00 -1.18 0.00 0.00 61.69 58.93 2x95 s THR 295 Cb -0.49 -2.22 0.25 0.00 1.34 0.00 0.00 72.50 71.37 2x95 s THR 295 CO 0.60 -0.46 1.75 -0.65 -0.54 0.00 0.00 174.62 175.32 2x95 h PRO 296 N 2.46 0.56 -0.44 3.99 0.11 -1.89 -1.60 132.00 135.18 2x95 h PRO 296 Ca -0.39 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.72 2x95 h PRO 296 Cb 1.22 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 2x95 h PRO 296 CO 0.64 0.37 0.24 1.25 -0.21 0.00 0.00 178.00 180.29 2x95 h LEU 297 N 0.57 0.36 -1.10 2.35 5.85 -1.96 -2.05 115.31 119.34 2x95 h LEU 297 Ca 0.48 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 59.18 2x95 h LEU 297 Cb 0.72 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 2x95 h LEU 297 CO -0.39 0.26 0.22 0.50 -0.34 0.00 0.00 178.44 178.68 2x95 h LYS 298 N 0.47 0.86 -0.31 1.25 3.64 -1.80 -0.95 116.57 119.74 2x95 h LYS 298 Ca 0.18 -0.14 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 2x95 h LYS 298 Cb 0.06 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 2x95 h LYS 298 CO -0.11 0.72 0.10 0.52 -2.27 0.00 0.00 179.45 178.41 2x95 h MET 299 N 0.85 0.48 -0.31 1.90 2.86 -0.87 -0.53 114.93 119.29 2x95 h MET 299 Ca 0.20 -0.10 -0.10 0.00 -2.06 0.00 0.00 59.70 57.64 2x95 h MET 299 Cb 0.19 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 2x95 h MET 299 CO -0.02 0.51 -0.22 0.74 1.06 0.00 0.00 176.91 178.98 2x95 h PHE 300 N 0.34 0.66 -0.58 -0.22 0.04 -1.19 -1.69 116.94 114.31 2x95 h PHE 300 Ca 0.10 -0.14 -0.06 0.00 2.80 0.00 0.00 57.97 60.67 2x95 h PHE 300 Cb 0.23 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 38.19 2x95 h PHE 300 CO 0.00 0.77 0.11 1.96 -0.60 0.00 0.00 178.31 180.55 2x95 h GLN 301 N 0.53 0.92 -0.30 1.51 4.20 -0.96 -0.42 115.11 120.58 2x95 h GLN 301 Ca 0.08 -0.21 -0.13 0.00 0.06 0.00 0.00 58.65 58.45 2x95 h GLN 301 Cb 0.67 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 2x95 h GLN 301 CO 0.05 0.84 -0.35 0.52 -0.67 0.00 0.00 178.83 179.21 2x95 h MET 302 N 0.87 0.67 -0.19 1.46 2.86 -0.85 -0.50 114.93 119.25 2x95 h MET 302 Ca 0.18 -0.32 -0.02 0.00 -2.06 0.00 0.00 59.70 57.48 2x95 h MET 302 Cb 0.36 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 2x95 h MET 302 CO 0.00 0.92 0.05 0.78 1.06 0.00 0.00 176.91 179.72 2x95 h GLY 303 N 0.99 0.33 0.27 8.32 0.00 -1.09 -1.69 103.07 110.20 2x95 h GLY 303 Ca 0.06 -0.21 0.09 0.00 0.00 0.00 0.00 47.33 47.27 2x95 h GLY 303 CO 0.08 0.19 0.08 -1.80 0.00 0.00 0.00 176.54 175.09 2x95 h ASP 304 N 0.12 -0.06 -0.84 0.19 3.58 -0.95 -2.01 116.42 116.45 2x95 h ASP 304 Ca 0.06 0.10 0.07 0.00 0.42 0.00 0.00 57.03 57.68 2x95 h ASP 304 Cb 0.27 0.15 -0.06 0.00 1.72 0.00 0.00 39.33 41.41 2x95 h ASP 304 CO 0.00 -0.00 0.51 -0.78 -2.88 0.00 0.00 179.24 176.09 2x95 h ASP 305 N 0.21 0.80 -0.31 2.28 3.58 -0.94 -1.67 116.42 120.36 2x95 h ASP 305 Ca 0.26 0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.73 2x95 h ASP 305 Cb 0.37 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.26 2x95 h ASP 305 CO -0.36 0.50 0.18 0.15 -2.88 0.00 0.00 179.24 176.83 2x95 h PHE 306 N 0.93 0.42 -0.16 0.28 3.57 -0.58 -0.47 116.94 120.92 2x95 h PHE 306 Ca 0.37 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.85 2x95 h PHE 306 Cb 0.19 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 2x95 h PHE 306 CO -0.04 0.33 0.06 0.74 -2.23 0.00 0.00 178.31 177.17 2x95 h PHE 307 N 0.39 0.25 0.00 0.41 0.04 -1.16 -2.84 116.94 114.03 2x95 h PHE 307 Ca 0.11 -0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.81 2x95 h PHE 307 Cb 0.04 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.11 2x95 h PHE 307 CO -0.04 0.33 -0.23 1.79 -0.60 0.00 0.00 178.31 179.56 2x95 h THR 308 N 0.10 1.01 0.00 -1.55 1.35 -1.22 -1.75 112.91 110.85 2x95 h THR 308 Ca 0.05 -0.83 -0.05 0.00 -0.55 0.00 0.00 66.41 65.03 2x95 h THR 308 Cb 0.19 1.47 -0.01 0.00 -1.73 0.00 0.00 68.15 68.07 2x95 h THR 308 CO -0.00 0.23 -0.25 0.77 -0.25 0.00 0.00 175.52 176.01 2x95 h SER 309 N 0.00 0.00 -0.32 5.36 4.64 -0.85 -1.34 113.55 121.05 2x95 h SER 309 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2x95 h SER 309 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 2x95 h SER 309 CO 0.03 0.25 0.00 0.23 -0.87 0.00 0.00 176.83 176.47 2x95 n MET 310 N -3.84 1.83 -2.45 4.77 2.00 -0.80 -3.62 117.12 115.01 2x95 n MET 310 Ca -0.02 -1.17 -0.14 0.00 0.00 0.00 0.00 57.70 56.37 2x95 n MET 310 Cb 0.34 -1.30 0.00 0.00 0.00 0.00 0.00 33.22 32.27 2x95 n MET 310 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 2x95 n ASN 311 N 0.43 -4.38 -4.92 7.83 5.15 -0.50 -3.82 115.26 115.05 2x95 n ASN 311 Ca 0.11 -0.08 -0.21 0.00 -0.60 0.00 0.00 54.58 53.81 2x95 n ASN 311 Cb 0.31 -3.44 0.06 0.00 -0.53 0.00 0.00 39.78 36.18 2x95 n ASN 311 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2x95 n LEU 312 N -2.26 0.00 -4.70 1.20 4.77 -0.73 -4.92 117.00 110.36 2x95 n LEU 312 Ca -0.13 -2.56 -0.42 0.00 -0.03 0.00 0.00 56.01 52.86 2x95 n LEU 312 Cb 0.61 -0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 2x95 n LEU 312 CO 0.24 -0.69 0.77 -0.89 -1.33 0.00 0.00 177.39 175.49 2x95 s THR 313 N -2.62 4.65 0.44 -5.08 2.01 -1.26 -4.12 115.64 109.67 2x95 s THR 313 Ca 0.55 1.91 -0.25 0.00 0.31 0.00 0.00 61.69 64.22 2x95 s THR 313 Cb -0.04 -4.23 -0.08 0.00 0.01 0.00 0.00 72.50 68.16 2x95 s THR 313 CO 0.35 0.09 1.29 -0.75 -0.69 0.00 0.00 174.62 174.92 2x95 s LYS 314 N 1.41 3.76 0.18 4.92 2.20 -1.26 -4.71 119.74 126.25 2x95 s LYS 314 Ca 0.52 2.10 -0.31 0.00 -0.36 0.00 0.00 55.97 57.92 2x95 s LYS 314 Cb -0.22 -2.59 -0.10 0.00 -1.51 0.00 0.00 37.83 33.41 2x95 s LYS 314 CO 0.25 -0.65 1.58 -0.51 -0.36 0.00 0.00 175.35 175.65 2x95 s LEU 315 N -2.77 4.37 0.85 5.43 1.43 -1.26 -5.00 118.68 121.73 2x95 s LEU 315 Ca 0.61 2.67 -0.11 0.00 -1.03 0.00 0.00 54.13 56.26 2x95 s LEU 315 Cb -0.37 -3.60 0.10 0.00 0.03 0.00 0.00 46.19 42.35 2x95 s LEU 315 CO 0.46 -0.83 1.09 -2.16 0.23 0.00 0.00 176.35 175.14 2x95 s PRO 316 N 0.93 1.66 0.28 1.29 0.04 -1.26 -4.96 135.00 132.99 2x95 s PRO 316 Ca 0.69 0.79 -0.01 0.00 0.04 0.00 0.00 61.00 62.51 2x95 s PRO 316 Cb -0.44 -1.86 0.41 0.00 0.04 0.00 0.00 34.50 32.65 2x95 s PRO 316 CO 0.33 -1.95 1.85 0.37 0.04 0.00 0.00 177.00 177.64 2x95 h GLN 317 N -1.34 0.86 -0.99 4.56 5.75 -1.94 -2.26 115.11 119.76 2x95 h GLN 317 Ca -0.48 -0.15 0.18 0.00 -0.15 0.00 0.00 58.65 58.05 2x95 h GLN 317 Cb 1.27 -0.14 -0.10 0.00 1.07 0.00 0.00 27.48 29.58 2x95 h GLN 317 CO 0.56 0.74 0.61 -0.44 -2.65 0.00 0.00 178.83 177.65 2x95 h ASP 318 N 0.84 0.75 0.07 -0.69 3.32 -1.92 -0.22 116.42 118.57 2x95 h ASP 318 Ca 0.19 0.08 0.01 0.00 0.02 0.00 0.00 57.03 57.33 2x95 h ASP 318 Cb 0.23 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 2x95 h ASP 318 CO -0.01 0.29 -0.11 0.15 -1.72 0.00 0.00 179.24 177.84 2x95 h PHE 319 N 0.74 -0.29 -0.56 4.55 3.57 -1.45 -0.15 116.94 123.35 2x95 h PHE 319 Ca 0.55 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.95 2x95 h PHE 319 Cb 0.88 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.72 2x95 h PHE 319 CO -0.00 -0.17 -0.07 -1.49 -2.23 0.00 0.00 178.31 174.34 2x95 h TRP 320 N -0.22 1.14 -0.22 0.41 4.06 -1.42 -0.89 115.95 118.81 2x95 h TRP 320 Ca 0.02 -0.22 -0.10 0.00 2.06 0.00 0.00 58.89 60.65 2x95 h TRP 320 Cb 0.24 -0.29 -0.01 0.00 -1.00 0.00 0.00 29.16 28.10 2x95 h TRP 320 CO -0.14 1.04 -0.29 -0.44 -3.56 0.00 0.00 178.44 175.04 2x95 h ASP 321 N 0.92 0.45 0.00 -3.49 3.32 -0.91 -3.37 116.42 113.34 2x95 h ASP 321 Ca 0.15 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2x95 h ASP 321 Cb 0.63 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.06 2x95 h ASP 321 CO 0.04 0.73 -1.07 0.29 -1.72 0.00 0.00 179.24 177.51 2x95 n LYS 322 N -4.10 1.19 -1.59 3.56 5.02 -0.08 -5.03 118.16 117.13 2x95 n LYS 322 Ca -0.01 -0.04 -0.33 0.00 -2.02 0.00 0.00 58.31 55.90 2x95 n LYS 322 Cb 0.43 -1.07 0.07 0.00 -0.02 0.00 0.00 35.03 34.44 2x95 n LYS 322 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2x95 s SER 323 N -2.47 4.68 -0.30 4.39 0.01 -0.34 -4.93 113.70 114.75 2x95 s SER 323 Ca -0.01 2.13 -0.02 0.00 1.31 0.00 0.00 55.95 59.36 2x95 s SER 323 Cb 0.04 -2.56 0.04 0.00 0.21 0.00 0.00 66.02 63.75 2x95 s SER 323 CO 0.25 -1.92 -0.00 -0.63 0.41 0.00 0.00 173.24 171.35 2x95 s ILE 324 N -2.23 3.05 -0.77 1.44 1.01 -0.12 -4.97 121.20 118.61 2x95 s ILE 324 Ca 0.69 -1.30 0.07 0.00 0.00 0.00 0.00 60.65 60.12 2x95 s ILE 324 Cb -0.24 -2.72 0.13 0.00 0.01 0.00 0.00 42.46 39.65 2x95 s ILE 324 CO 0.44 -0.06 0.96 2.30 0.00 0.00 0.00 174.94 178.57 2x95 n ILE 325 N 4.65 0.52 -3.94 2.92 -5.35 -1.25 -0.39 119.36 116.51 2x95 n ILE 325 Ca -0.14 -0.76 -0.10 0.00 -0.27 0.00 0.00 62.75 61.48 2x95 n ILE 325 Cb 0.44 0.81 -0.12 0.00 -1.74 0.00 0.00 39.64 39.04 2x95 n ILE 325 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 2x95 s GLU 326 N -0.82 0.21 0.11 6.28 2.02 -1.11 -3.07 118.70 122.33 2x95 s GLU 326 Ca 0.12 -0.42 -0.31 0.00 0.02 0.00 0.00 54.97 54.38 2x95 s GLU 326 Cb 0.07 0.08 -0.09 0.00 0.10 0.00 0.00 34.13 34.28 2x95 s GLU 326 CO 0.10 -0.03 1.69 0.21 0.02 0.00 0.00 175.26 177.24 2x95 s LYS 327 N -1.00 4.18 0.41 1.61 2.20 -1.26 -4.81 119.74 121.06 2x95 s LYS 327 Ca -0.11 2.42 -0.26 0.00 -0.36 0.00 0.00 55.97 57.66 2x95 s LYS 327 Cb -0.07 -3.49 -0.10 0.00 -1.51 0.00 0.00 37.83 32.66 2x95 s LYS 327 CO -0.01 -0.74 1.23 -2.30 -0.36 0.00 0.00 175.35 173.17 2x95 n PRO 328 N 5.24 1.86 0.00 4.03 -0.02 -1.26 -4.93 135.00 139.92 2x95 n PRO 328 Ca 0.16 0.66 0.12 0.00 -2.02 0.00 0.00 63.50 62.42 2x95 n PRO 328 Cb 0.39 -2.31 0.20 0.00 -0.02 0.00 0.00 33.50 31.75 2x95 n PRO 328 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2x95 n THR 329 N -0.16 0.00 -1.41 3.45 -2.24 -1.26 -4.92 114.28 107.74 2x95 n THR 329 Ca 0.07 -0.19 -0.22 0.00 -2.27 0.00 0.00 64.05 61.44 2x95 n THR 329 Cb 0.39 0.82 0.16 0.00 -2.10 0.00 0.00 70.33 69.60 2x95 n THR 329 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2x95 n ASP 330 N -0.33 -0.59 0.00 3.42 5.68 -1.26 -4.95 116.55 118.53 2x95 n ASP 330 Ca 0.11 -1.23 0.13 0.00 -0.50 0.00 0.00 54.79 53.30 2x95 n ASP 330 Cb 0.41 -0.75 0.73 0.00 -1.14 0.00 0.00 41.12 40.37 2x95 n ASP 330 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2x95 n GLY 331 N -1.93 -0.95 3.77 6.12 0.00 -1.26 -4.96 105.19 105.99 2x95 n GLY 331 Ca 0.12 -0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 2x95 n GLY 331 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2x95 s ARG 332 N -2.23 3.10 0.17 1.61 1.70 -1.26 -5.04 118.95 117.01 2x95 s ARG 332 Ca 0.34 1.51 -0.19 0.00 -0.47 0.00 0.00 55.73 56.92 2x95 s ARG 332 Cb 0.18 -1.98 -0.08 0.00 -0.57 0.00 0.00 34.95 32.50 2x95 s ARG 332 CO 0.34 -1.03 0.66 -0.51 -1.08 0.00 0.00 175.30 173.67 2x95 s ASP 333 N -2.15 7.03 0.22 -2.89 -0.00 -1.26 -5.02 116.67 112.60 2x95 s ASP 333 Ca 0.70 1.32 -0.20 0.00 -0.00 0.00 0.00 52.55 54.37 2x95 s ASP 333 Cb -0.22 -2.38 0.03 0.00 -0.00 0.00 0.00 42.92 40.35 2x95 s ASP 333 CO 0.34 0.11 0.61 -1.48 -0.00 0.00 0.00 175.17 174.75 2x95 s LEU 334 N -1.75 -0.20 -0.48 1.23 2.34 -1.26 -0.92 118.68 117.64 2x95 s LEU 334 Ca 0.39 -0.43 -0.24 0.00 0.06 0.00 0.00 54.13 53.91 2x95 s LEU 334 Cb -0.17 2.46 0.03 0.00 -0.56 0.00 0.00 46.19 47.94 2x95 s LEU 334 CO 0.21 -1.14 0.86 -0.69 -1.06 0.00 0.00 176.35 174.52 2x95 s VAL 335 N -3.87 4.54 -0.29 1.48 1.01 -0.29 -4.82 120.40 118.17 2x95 s VAL 335 Ca 0.08 0.45 0.21 0.00 0.00 0.00 0.00 61.98 62.72 2x95 s VAL 335 Cb -0.03 -4.41 0.14 0.00 0.00 0.00 0.00 36.38 32.09 2x95 s VAL 335 CO -0.01 -0.85 1.34 0.00 0.00 0.00 0.00 175.10 175.58 2x95 n HIS 337 N -2.99 2.05 -1.71 0.00 -0.00 -1.26 -3.90 115.22 107.41 2x95 n HIS 337 Ca 0.01 0.34 -0.43 0.00 -0.00 0.00 0.00 57.72 57.64 2x95 n HIS 337 Cb 0.61 -2.53 -0.01 0.00 -0.00 0.00 0.00 29.99 28.06 2x95 n HIS 337 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2x95 n ALA 338 N 6.56 1.63 -3.16 1.57 0.00 -1.26 -4.91 120.51 120.94 2x95 n ALA 338 Ca 0.28 0.38 -0.13 0.00 0.00 0.00 0.00 53.44 53.97 2x95 n ALA 338 Cb 0.19 -2.32 -0.06 0.00 0.00 0.00 0.00 19.45 17.26 2x95 n ALA 338 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2x95 s SER 339 N 0.07 -0.30 -0.01 0.00 1.04 -0.65 -5.03 113.70 108.83 2x95 s SER 339 Ca 0.61 -0.02 0.08 0.00 0.48 0.00 0.00 55.95 57.10 2x95 s SER 339 Cb -0.57 0.44 -0.02 0.00 0.10 0.00 0.00 66.02 65.97 2x95 s SER 339 CO 0.56 -0.69 -0.25 0.00 0.98 0.00 0.00 173.24 173.83 2x95 s ALA 340 N -2.63 2.06 -0.05 5.32 0.00 -1.26 -1.32 121.76 123.88 2x95 s ALA 340 Ca -0.04 -1.08 0.03 0.00 0.00 0.00 0.00 51.96 50.86 2x95 s ALA 340 Cb -0.00 -0.51 0.01 0.00 0.00 0.00 0.00 23.12 22.61 2x95 s ALA 340 CO -0.03 0.50 -0.13 -1.58 0.00 0.00 0.00 175.76 174.52 2x95 s TRP 341 N -0.61 1.44 -0.17 0.00 0.52 0.15 -5.00 118.94 115.27 2x95 s TRP 341 Ca 0.10 -0.47 -0.03 0.00 0.02 0.00 0.00 56.10 55.71 2x95 s TRP 341 Cb -0.10 -1.02 -0.02 0.00 -1.15 0.00 0.00 33.47 31.18 2x95 s TRP 341 CO -0.01 -0.22 -0.05 0.34 0.02 0.00 0.00 176.95 177.04 2x95 s ASP 342 N 0.41 4.50 0.00 2.95 3.68 -1.26 -1.50 116.67 125.46 2x95 s ASP 342 Ca -0.10 -0.25 0.22 0.00 2.13 0.00 0.00 52.55 54.55 2x95 s ASP 342 Cb -0.13 -1.74 0.25 0.00 -1.45 0.00 0.00 42.92 39.85 2x95 s ASP 342 CO 0.03 0.10 1.25 0.49 0.13 0.00 0.00 175.17 177.17 2x95 n PHE 343 N 3.97 0.17 -1.76 -5.34 3.72 -0.89 -4.99 117.46 112.35 2x95 n PHE 343 Ca -0.18 -0.09 -0.14 0.00 -0.05 0.00 0.00 57.45 56.99 2x95 n PHE 343 Cb 0.52 -0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.02 2x95 n PHE 343 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2x95 n TYR 344 N 1.27 -0.27 0.00 1.38 4.02 -1.26 -4.26 117.16 118.04 2x95 n TYR 344 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.04 2x95 n TYR 344 Cb 0.55 -2.67 0.00 0.00 -0.02 0.00 0.00 39.34 37.20 2x95 n TYR 344 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 2x95 n LEU 345 N -1.74 0.00 -4.14 7.72 4.77 -1.26 -4.68 117.00 117.67 2x95 n LEU 345 Ca -0.15 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.50 2x95 n LEU 345 Cb 0.52 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.45 2x95 n LEU 345 CO 0.20 0.00 -0.53 -0.89 -1.33 0.00 0.00 177.39 174.84 2x95 s THR 346 N 4.14 2.11 0.00 -5.08 2.01 -1.26 -4.80 115.64 112.77 2x95 s THR 346 Ca 0.00 -0.93 0.00 0.00 0.31 0.00 0.00 61.69 61.07 2x95 s THR 346 Cb 0.00 -1.88 0.00 0.00 0.01 0.00 0.00 72.50 70.63 2x95 s THR 346 CO 0.00 0.54 0.00 0.47 -0.69 0.00 0.00 174.62 174.94 2x95 n ASP 347 N 4.51 -2.70 -4.46 3.53 10.43 -1.26 -4.92 116.55 121.68 2x95 n ASP 347 Ca -0.21 0.00 -0.44 0.00 2.57 0.00 0.00 54.79 56.72 2x95 n ASP 347 Cb 0.50 -2.04 -0.02 0.00 1.84 0.00 0.00 41.12 41.40 2x95 n ASP 347 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 2x95 s ASP 348 N -2.16 6.70 0.04 -2.24 -1.08 -1.26 -4.46 116.67 112.21 2x95 s ASP 348 Ca 0.00 -2.17 0.06 0.00 -0.52 0.00 0.00 52.55 49.91 2x95 s ASP 348 Cb 0.00 -2.42 -0.02 0.00 -1.46 0.00 0.00 42.92 39.02 2x95 s ASP 348 CO 0.00 -1.04 -0.16 0.68 0.52 0.00 0.00 175.17 175.17 2x95 s VAL 349 N 2.69 1.27 0.01 1.11 -7.23 -1.26 -2.10 120.40 114.90 2x95 s VAL 349 Ca 0.36 -1.08 -0.10 0.00 -1.81 0.00 0.00 61.98 59.35 2x95 s VAL 349 Cb -0.04 -1.14 0.01 0.00 0.56 0.00 0.00 36.38 35.77 2x95 s VAL 349 CO -0.08 0.04 0.19 -0.13 -0.31 0.00 0.00 175.10 174.82 2x95 s ARG 350 N -1.20 0.59 0.01 4.82 0.52 -0.56 -3.55 118.95 119.57 2x95 s ARG 350 Ca 0.03 -0.43 0.08 0.00 -0.52 0.00 0.00 55.73 54.89 2x95 s ARG 350 Cb -0.08 0.25 -0.03 0.00 0.52 0.00 0.00 34.95 35.61 2x95 s ARG 350 CO 0.02 -0.15 -0.23 0.42 0.02 0.00 0.00 175.30 175.37 2x95 s ILE 351 N -1.72 2.33 -0.26 1.52 1.01 -1.26 0.34 121.20 123.16 2x95 s ILE 351 Ca -0.12 -1.16 0.03 0.00 0.00 0.00 0.00 60.65 59.40 2x95 s ILE 351 Cb -0.05 -1.88 0.06 0.00 0.01 0.00 0.00 42.46 40.59 2x95 s ILE 351 CO 0.01 0.48 -0.11 -0.75 0.00 0.00 0.00 174.94 174.56 2x95 s LYS 352 N -0.95 2.29 -0.05 2.79 2.20 -0.43 -0.95 119.74 124.64 2x95 s LYS 352 Ca 0.11 -1.32 -0.02 0.00 -0.36 0.00 0.00 55.97 54.38 2x95 s LYS 352 Cb -0.10 -2.89 0.03 0.00 -1.51 0.00 0.00 37.83 33.36 2x95 s LYS 352 CO 0.01 -0.55 0.11 -1.14 -0.36 0.00 0.00 175.35 173.42 2x95 s GLN 353 N 1.12 0.07 -1.29 4.03 0.74 0.47 -1.63 119.66 123.17 2x95 s GLN 353 Ca -0.08 0.27 -0.10 0.00 0.05 0.00 0.00 55.36 55.49 2x95 s GLN 353 Cb -0.20 -0.12 0.15 0.00 1.10 0.00 0.00 33.01 33.95 2x95 s GLN 353 CO -0.05 -0.12 1.87 0.00 -0.55 0.00 0.00 175.29 176.44 2x95 s THR 355 N 0.84 3.01 0.21 0.00 2.01 -1.17 -4.72 115.64 115.82 2x95 s THR 355 Ca 0.41 0.76 0.10 0.00 0.31 0.00 0.00 61.69 63.26 2x95 s THR 355 Cb 0.09 -3.49 -0.04 0.00 0.01 0.00 0.00 72.50 69.07 2x95 s THR 355 CO -0.00 0.08 -0.10 -0.13 -0.69 0.00 0.00 174.62 173.77 2x95 s ARG 356 N 0.66 2.01 -1.13 4.92 0.52 -1.26 -4.74 118.95 119.93 2x95 s ARG 356 Ca 0.64 -1.38 -0.16 0.00 -0.52 0.00 0.00 55.73 54.32 2x95 s ARG 356 Cb -0.39 -2.09 0.15 0.00 0.52 0.00 0.00 34.95 33.14 2x95 s ARG 356 CO 0.34 0.41 1.37 0.08 0.02 0.00 0.00 175.30 177.51 2x95 s VAL 357 N -1.91 4.88 0.11 3.52 1.01 -1.26 -4.71 120.40 122.04 2x95 s VAL 357 Ca 0.26 -2.27 -0.03 0.00 0.00 0.00 0.00 61.98 59.94 2x95 s VAL 357 Cb -0.08 -4.89 -0.03 0.00 0.00 0.00 0.00 36.38 31.38 2x95 s VAL 357 CO 0.16 -1.62 0.07 0.42 0.00 0.00 0.00 175.10 174.13 2x95 s THR 358 N 2.09 0.14 0.13 3.92 -4.23 -1.26 -4.76 115.64 111.66 2x95 s THR 358 Ca 0.41 -1.74 -0.19 0.00 -1.18 0.00 0.00 61.69 58.99 2x95 s THR 358 Cb -0.03 -1.78 -0.06 0.00 1.34 0.00 0.00 72.50 71.97 2x95 s THR 358 CO -0.02 -0.63 1.78 -0.61 -0.54 0.00 0.00 174.62 174.60 2x95 h GLN 359 N 2.90 0.31 -0.75 3.99 4.15 -1.90 -1.65 115.11 122.17 2x95 h GLN 359 Ca -0.34 -0.02 0.08 0.00 0.77 0.00 0.00 58.65 59.14 2x95 h GLN 359 Cb 1.18 -0.07 -0.07 0.00 0.21 0.00 0.00 27.48 28.74 2x95 h GLN 359 CO 0.59 0.21 0.41 0.22 -1.93 0.00 0.00 178.83 178.33 2x95 h ASP 360 N 0.31 0.58 0.21 -0.69 3.58 -1.97 -1.97 116.42 116.48 2x95 h ASP 360 Ca 0.08 0.04 -0.10 0.00 0.42 0.00 0.00 57.03 57.48 2x95 h ASP 360 Cb -0.03 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 40.94 2x95 h ASP 360 CO -0.02 0.35 -0.37 1.56 -2.88 0.00 0.00 179.24 177.88 2x95 h GLN 361 N 0.71 0.23 -0.83 0.28 1.08 -1.77 -1.77 115.11 113.04 2x95 h GLN 361 Ca 0.35 -0.10 -0.02 0.00 -1.45 0.00 0.00 58.65 57.43 2x95 h GLN 361 Cb 0.30 -0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.68 2x95 h GLN 361 CO -0.23 0.58 0.44 1.25 -0.95 0.00 0.00 178.83 179.91 2x95 h LEU 362 N 0.20 1.05 -0.42 1.46 5.85 -0.55 0.11 115.31 123.00 2x95 h LEU 362 Ca 0.02 -0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.58 2x95 h LEU 362 Cb 0.76 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 2x95 h LEU 362 CO 0.06 0.85 0.01 -0.26 -0.34 0.00 0.00 178.44 178.76 2x95 h PHE 363 N 1.17 0.80 -0.71 1.25 0.04 -1.10 -2.88 116.94 115.51 2x95 h PHE 363 Ca 0.29 -0.14 0.04 0.00 2.80 0.00 0.00 57.97 60.96 2x95 h PHE 363 Cb 0.05 -0.21 -0.05 0.00 2.20 0.00 0.00 35.95 37.95 2x95 h PHE 363 CO 0.01 0.80 0.44 1.15 -0.60 0.00 0.00 178.31 180.10 2x95 h THR 364 N 0.57 1.07 -0.46 -1.55 2.02 -0.86 0.48 112.91 114.17 2x95 h THR 364 Ca 0.12 -0.29 0.06 0.00 0.77 0.00 0.00 66.41 67.07 2x95 h THR 364 Cb 0.47 0.16 -0.05 0.00 -1.74 0.00 0.00 68.15 66.99 2x95 h THR 364 CO 0.02 0.15 0.18 0.58 0.37 0.00 0.00 175.52 176.83 2x95 h VAL 365 N 0.84 0.88 -0.57 3.16 2.07 -0.97 -1.06 116.25 120.60 2x95 h VAL 365 Ca 0.29 -0.13 -0.09 0.00 0.82 0.00 0.00 66.70 67.60 2x95 h VAL 365 Cb 0.06 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 2x95 h VAL 365 CO -0.13 0.07 0.02 0.45 0.02 0.00 0.00 177.57 178.00 2x95 h HIS 366 N 0.37 1.05 -0.23 1.57 -0.00 -1.17 -0.88 115.15 115.87 2x95 h HIS 366 Ca 0.22 -0.16 0.03 0.00 -0.00 0.00 0.00 60.37 60.45 2x95 h HIS 366 Cb 0.19 -0.28 -0.03 0.00 -0.00 0.00 0.00 27.41 27.29 2x95 h HIS 366 CO -0.14 0.93 0.04 1.25 -0.00 0.00 0.00 177.93 180.01 2x95 h HIS 367 N 0.90 0.07 -0.35 2.45 6.17 -0.51 -1.42 115.15 122.47 2x95 h HIS 367 Ca 0.17 0.01 -0.14 0.00 0.71 0.00 0.00 60.37 61.13 2x95 h HIS 367 Cb 0.50 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 30.42 2x95 h HIS 367 CO 0.03 0.02 -0.33 0.93 0.71 0.00 0.00 177.93 179.29 2x95 h GLU 368 N 0.13 0.78 0.00 5.26 4.39 -1.01 -2.63 114.58 121.50 2x95 h GLU 368 Ca 0.11 -0.37 -0.04 0.00 0.34 0.00 0.00 59.36 59.40 2x95 h GLU 368 Cb 0.11 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 2x95 h GLU 368 CO -0.15 1.00 -0.18 -0.07 -1.16 0.00 0.00 179.01 178.45 2x95 h LEU 369 N 0.66 0.00 -0.56 1.33 3.38 -1.07 -2.36 115.31 116.69 2x95 h LEU 369 Ca 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2x95 h LEU 369 Cb 0.87 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.60 2x95 h LEU 369 CO 0.08 0.18 0.30 1.23 0.09 0.00 0.00 178.44 180.33 2x95 h GLY 370 N 1.24 0.84 0.96 0.83 0.00 -0.87 -0.15 103.07 105.91 2x95 h GLY 370 Ca -0.00 -0.38 0.01 0.00 0.00 0.00 0.00 47.33 46.95 2x95 h GLY 370 CO 0.02 0.36 0.13 0.45 0.00 0.00 0.00 176.54 177.51 2x95 h HIS 371 N 0.75 0.25 -0.63 5.60 3.86 -1.38 -2.32 115.15 121.28 2x95 h HIS 371 Ca 0.20 0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.46 2x95 h HIS 371 Cb 0.05 -0.08 -0.05 0.00 1.06 0.00 0.00 27.41 28.39 2x95 h HIS 371 CO -0.01 0.15 0.35 0.82 0.86 0.00 0.00 177.93 180.10 2x95 h ILE 372 N 0.27 0.99 -0.74 2.45 1.08 -1.17 -1.30 117.51 119.09 2x95 h ILE 372 Ca 0.08 -0.23 -0.01 0.00 -0.39 0.00 0.00 64.86 64.32 2x95 h ILE 372 Cb -0.01 0.26 -0.04 0.00 -3.07 0.00 0.00 36.82 33.96 2x95 h ILE 372 CO -0.03 0.12 0.44 -0.61 -0.69 0.00 0.00 178.15 177.38 2x95 h GLN 373 N 0.67 1.01 -0.35 2.37 5.75 -0.91 -1.64 115.11 122.00 2x95 h GLN 373 Ca 0.28 -0.10 0.01 0.00 -0.15 0.00 0.00 58.65 58.69 2x95 h GLN 373 Cb 0.14 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 28.47 2x95 h GLN 373 CO -0.16 0.72 0.22 -0.92 -2.65 0.00 0.00 178.83 176.03 2x95 h TYR 374 N 1.01 0.41 -0.41 3.99 -0.00 -0.86 0.65 116.97 121.77 2x95 h TYR 374 Ca 0.26 0.01 0.07 0.00 -0.00 0.00 0.00 58.73 59.08 2x95 h TYR 374 Cb -0.02 -0.14 -0.06 0.00 -0.00 0.00 0.00 36.73 36.51 2x95 h TYR 374 CO -0.01 0.25 0.05 0.74 -0.00 0.00 0.00 178.16 179.19 2x95 h PHE 375 N 0.45 0.06 -0.34 -3.82 0.04 -0.82 -2.00 116.94 110.51 2x95 h PHE 375 Ca 0.13 0.03 -0.11 0.00 2.80 0.00 0.00 57.97 60.82 2x95 h PHE 375 Cb -0.03 0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 2x95 h PHE 375 CO -0.06 -0.03 -0.25 -0.07 -0.60 0.00 0.00 178.31 177.30 2x95 h LEU 376 N 0.16 0.70 -1.09 1.54 3.38 -0.99 -2.46 115.31 116.55 2x95 h LEU 376 Ca 0.20 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 2x95 h LEU 376 Cb 0.27 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2x95 h LEU 376 CO -0.30 0.93 -0.32 1.56 0.09 0.00 0.00 178.44 180.40 2x95 h GLN 377 N 0.60 0.24 -0.31 1.13 1.08 -0.33 -3.22 115.11 114.29 2x95 h GLN 377 Ca 0.08 -0.09 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 2x95 h GLN 377 Cb 0.74 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.16 2x95 h GLN 377 CO 0.06 0.54 0.00 2.48 -0.95 0.00 0.00 178.83 180.95 2x95 n TYR 378 N -4.10 0.61 0.33 2.96 0.18 -0.80 -4.15 117.16 112.19 2x95 n TYR 378 Ca -0.01 -0.63 0.13 0.00 1.88 0.00 0.00 57.90 59.28 2x95 n TYR 378 Cb 0.41 -0.12 0.59 0.00 -0.38 0.00 0.00 39.34 39.83 2x95 n TYR 378 CO 0.00 0.00 0.00 -0.56 -2.08 0.00 0.00 176.86 174.22 2x95 h GLN 379 N 1.91 0.00 0.00 -3.48 3.07 -1.45 -1.70 115.11 113.45 2x95 h GLN 379 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2x95 h GLN 379 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.53 2x95 h GLN 379 CO 0.07 0.00 -0.18 -2.39 0.09 0.00 0.00 178.83 176.43 2x95 n HIS 380 N -2.45 0.40 -1.79 0.06 1.44 -1.26 -4.90 115.22 106.72 2x95 n HIS 380 Ca 0.01 0.12 -0.32 0.00 -2.01 0.00 0.00 57.72 55.51 2x95 n HIS 380 Cb 0.20 -0.64 0.04 0.00 0.12 0.00 0.00 29.99 29.71 2x95 n HIS 380 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 2x95 s GLN 381 N -3.06 2.99 0.60 -1.40 -1.52 -0.64 -5.01 119.66 111.62 2x95 s GLN 381 Ca 0.11 1.19 -0.19 0.00 -1.95 0.00 0.00 55.36 54.53 2x95 s GLN 381 Cb 0.16 -1.99 -0.04 0.00 -0.22 0.00 0.00 33.01 30.92 2x95 s GLN 381 CO 0.61 -1.07 1.06 -0.35 -0.25 0.00 0.00 175.29 175.29 2x95 n PRO 382 N -2.52 1.01 -0.29 2.91 -0.04 -1.26 -4.76 135.00 130.04 2x95 n PRO 382 Ca 0.09 0.39 0.06 0.00 -0.04 0.00 0.00 63.50 64.00 2x95 n PRO 382 Cb 0.53 -2.27 0.17 0.00 -0.04 0.00 0.00 33.50 31.88 2x95 n PRO 382 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 2x95 h PHE 383 N 0.58 -0.21 0.00 0.54 3.57 -1.95 0.36 116.94 119.83 2x95 h PHE 383 Ca -0.49 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.08 2x95 h PHE 383 Cb 1.35 0.22 0.00 0.00 2.79 0.00 0.00 35.95 40.32 2x95 h PHE 383 CO 0.39 -0.33 0.00 -0.39 -2.23 0.00 0.00 178.31 175.75 2x95 h VAL 384 N 0.04 0.00 -0.02 1.41 -1.51 -1.89 -0.80 116.25 113.48 2x95 h VAL 384 Ca 0.45 -0.19 0.00 0.00 -1.23 0.00 0.00 66.70 65.73 2x95 h VAL 384 Cb 0.79 1.19 0.00 0.00 -2.13 0.00 0.00 31.29 31.14 2x95 h VAL 384 CO -0.80 0.00 -0.07 -1.22 -1.23 0.00 0.00 177.57 174.25 2x95 n TYR 385 N -3.08 0.00 -1.94 5.19 4.01 0.10 -4.65 117.16 116.79 2x95 n TYR 385 Ca -0.02 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.31 2x95 n TYR 385 Cb 0.16 -0.01 -0.01 0.00 -0.31 0.00 0.00 39.34 39.18 2x95 n TYR 385 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2x95 n ARG 386 N 0.71 3.79 -3.83 -0.72 1.74 -0.31 -1.06 116.66 116.98 2x95 n ARG 386 Ca 0.15 -3.10 -0.08 0.00 -0.77 0.00 0.00 57.85 54.05 2x95 n ARG 386 Cb 0.49 -2.88 0.00 0.00 -1.02 0.00 0.00 32.46 29.06 2x95 n ARG 386 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2x95 s THR 387 N 0.76 0.00 0.73 0.55 -1.32 -1.26 -5.01 115.64 110.09 2x95 s THR 387 Ca 0.51 -0.99 -0.13 0.00 -1.21 0.00 0.00 61.69 59.87 2x95 s THR 387 Cb 0.15 -2.50 0.04 0.00 -1.51 0.00 0.00 72.50 68.67 2x95 s THR 387 CO -0.05 0.00 1.11 -0.83 -2.21 0.00 0.00 174.62 172.64 2x95 s GLY 388 N -3.01 1.92 0.23 6.08 0.00 -1.26 -2.31 107.32 108.97 2x95 s GLY 388 Ca 0.14 0.44 -0.07 0.00 0.00 0.00 0.00 44.72 45.24 2x95 s GLY 388 CO 0.09 0.80 1.80 0.00 0.00 0.00 0.00 173.10 175.80 2x95 h ALA 389 N -0.63 1.04 -2.60 3.20 0.00 -1.91 -3.39 119.26 114.97 2x95 h ALA 389 Ca -0.45 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.37 2x95 h ALA 389 Cb 1.24 -0.11 -0.13 0.00 0.00 0.00 0.00 17.79 18.79 2x95 h ALA 389 CO 0.52 0.05 -0.39 0.54 0.00 0.00 0.00 179.25 179.97 2x95 s ASN 390 N -5.58 0.10 0.52 0.00 2.20 -1.26 -4.09 114.94 106.82 2x95 s ASN 390 Ca -0.13 -0.96 0.21 0.00 -0.94 0.00 0.00 52.86 51.05 2x95 s ASN 390 Cb 0.18 0.41 1.32 0.00 -2.00 0.00 0.00 41.25 41.16 2x95 s ASN 390 CO 0.77 -0.86 2.04 -0.65 -2.94 0.00 0.00 177.10 175.46 2x95 h PRO 391 N 2.61 0.04 -0.39 3.55 0.11 -1.82 -0.25 132.00 135.84 2x95 h PRO 391 Ca -0.32 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.74 2x95 h PRO 391 Cb 1.22 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 2x95 h PRO 391 CO 0.50 0.03 0.05 0.78 -0.21 0.00 0.00 178.00 179.15 2x95 h GLY 392 N 0.04 0.63 1.00 -0.55 0.00 -1.91 -2.88 103.07 99.41 2x95 h GLY 392 Ca 0.18 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.15 2x95 h GLY 392 CO -0.01 0.34 0.41 0.74 0.00 0.00 0.00 176.54 178.01 2x95 h PHE 393 N 0.57 0.84 -0.89 5.60 0.04 -1.35 -2.06 116.94 119.69 2x95 h PHE 393 Ca 0.13 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.89 2x95 h PHE 393 Cb 0.28 -0.28 -0.04 0.00 2.20 0.00 0.00 35.95 38.11 2x95 h PHE 393 CO 0.01 0.56 0.49 1.25 -0.60 0.00 0.00 178.31 180.02 2x95 h HIS 394 N 0.88 1.22 0.00 -0.55 2.76 -1.49 -2.48 115.15 115.49 2x95 h HIS 394 Ca 0.24 -0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.34 2x95 h HIS 394 Cb -0.05 -0.39 -0.01 0.00 1.55 0.00 0.00 27.41 28.51 2x95 h HIS 394 CO -0.02 0.84 -0.20 0.93 -1.30 0.00 0.00 177.93 178.18 2x95 h GLU 395 N 1.25 0.00 0.07 5.26 4.39 -1.39 -3.30 114.58 120.86 2x95 h GLU 395 Ca 0.32 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.77 2x95 h GLU 395 Cb 0.02 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 2x95 h GLU 395 CO -0.05 0.20 -1.13 0.00 -1.16 0.00 0.00 179.01 176.87 2x95 h ALA 396 N 1.80 0.22 -0.08 3.43 0.00 -0.90 -3.38 119.26 120.35 2x95 h ALA 396 Ca -0.00 -0.87 0.03 0.00 0.00 0.00 0.00 54.91 54.06 2x95 h ALA 396 Cb 0.84 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.51 2x95 h ALA 396 CO 0.03 1.05 -0.52 0.28 0.00 0.00 0.00 179.25 180.09 2x95 h VAL 397 N 0.06 0.00 -0.16 0.00 2.07 -1.62 -1.58 116.25 115.01 2x95 h VAL 397 Ca -0.09 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.36 2x95 h VAL 397 Cb 1.86 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 2x95 h VAL 397 CO 0.17 0.00 -0.25 1.23 0.02 0.00 0.00 177.57 178.74 2x95 h GLY 398 N -0.59 0.31 1.72 2.17 0.00 -1.76 -2.80 103.07 102.12 2x95 h GLY 398 Ca 0.02 -0.23 -0.07 0.00 0.00 0.00 0.00 47.33 47.05 2x95 h GLY 398 CO -0.39 0.22 -0.20 -0.55 0.00 0.00 0.00 176.54 175.62 2x95 h ASP 399 N 0.26 0.32 -0.69 0.19 5.19 -1.56 -1.26 116.42 118.87 2x95 h ASP 399 Ca 0.04 -0.09 0.03 0.00 -0.62 0.00 0.00 57.03 56.39 2x95 h ASP 399 Cb 0.59 -0.09 -0.04 0.00 0.18 0.00 0.00 39.33 39.97 2x95 h ASP 399 CO 0.04 0.54 0.44 0.58 -3.12 0.00 0.00 179.24 177.72 2x95 h VAL 400 N 0.30 1.11 -0.30 -1.35 2.07 -1.03 0.10 116.25 117.14 2x95 h VAL 400 Ca 0.05 -0.29 -0.18 0.00 0.82 0.00 0.00 66.70 67.09 2x95 h VAL 400 Cb 0.53 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 2x95 h VAL 400 CO 0.04 0.16 -0.53 -0.07 0.02 0.00 0.00 177.57 177.18 2x95 h LEU 401 N 0.86 0.98 -1.41 2.57 3.38 -1.53 -3.11 115.31 117.05 2x95 h LEU 401 Ca 0.27 -0.52 0.01 0.00 0.09 0.00 0.00 57.88 57.74 2x95 h LEU 401 Cb -0.00 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 2x95 h LEU 401 CO -0.10 1.32 0.41 0.28 0.09 0.00 0.00 178.44 180.43 2x95 h SER 402 N 0.68 0.69 -0.64 -0.43 0.02 -0.89 0.11 113.55 113.08 2x95 h SER 402 Ca 0.02 -0.02 0.01 0.00 -0.84 0.00 0.00 61.79 60.96 2x95 h SER 402 Cb 1.13 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 63.47 2x95 h SER 402 CO 0.12 0.49 0.43 -0.07 -1.14 0.00 0.00 176.83 176.66 2x95 h LEU 403 N 0.81 0.73 -0.02 5.07 3.38 -0.92 -0.93 115.31 123.43 2x95 h LEU 403 Ca 0.23 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 58.06 2x95 h LEU 403 Cb -0.06 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 40.52 2x95 h LEU 403 CO -0.05 0.53 -0.48 0.28 0.09 0.00 0.00 178.44 178.80 2x95 h SER 404 N 0.86 0.46 0.31 -0.43 0.02 -1.10 -3.27 113.55 110.40 2x95 h SER 404 Ca 0.24 -0.73 -0.02 0.00 -0.84 0.00 0.00 61.79 60.44 2x95 h SER 404 Cb -0.08 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.32 2x95 h SER 404 CO -0.05 1.13 -0.10 -0.37 -1.14 0.00 0.00 176.83 176.30 2x95 h VAL 405 N -0.16 0.56 0.00 2.27 -1.51 -0.62 -2.48 116.25 114.31 2x95 h VAL 405 Ca -0.05 -0.45 0.00 0.00 -1.23 0.00 0.00 66.70 64.96 2x95 h VAL 405 Cb 1.18 1.29 0.00 0.00 -2.13 0.00 0.00 31.29 31.64 2x95 h VAL 405 CO 0.10 0.10 0.00 0.77 -1.23 0.00 0.00 177.57 177.30 2x95 h SER 406 N 0.00 0.00 -3.98 4.19 4.64 -1.23 -3.37 113.55 113.81 2x95 h SER 406 Ca -0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 2x95 h SER 406 Cb 0.28 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.44 2x95 h SER 406 CO 0.01 0.00 0.51 0.42 -0.87 0.00 0.00 176.83 176.90 2x95 s THR 407 N -3.16 3.04 0.31 2.95 -4.23 -0.93 -4.90 115.64 108.72 2x95 s THR 407 Ca 0.09 0.83 0.07 0.00 -1.18 0.00 0.00 61.69 61.49 2x95 s THR 407 Cb 0.11 -3.44 0.31 0.00 1.34 0.00 0.00 72.50 70.82 2x95 s THR 407 CO 0.56 0.03 1.79 -0.65 -0.54 0.00 0.00 174.62 175.81 2x95 h PRO 408 N 2.29 0.73 -0.11 3.99 0.11 -1.89 -1.65 132.00 135.47 2x95 h PRO 408 Ca -0.49 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 65.62 2x95 h PRO 408 Cb 1.24 -0.16 -0.06 0.00 0.11 0.00 0.00 31.00 32.13 2x95 h PRO 408 CO 0.61 0.48 -0.38 -0.22 -0.21 0.00 0.00 178.00 178.29 2x95 h LYS 409 N 0.75 -0.45 -0.29 1.05 3.64 -1.91 -0.91 116.57 118.46 2x95 h LYS 409 Ca 0.57 0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.91 2x95 h LYS 409 Cb 0.90 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.82 2x95 h LYS 409 CO -0.36 -0.30 -0.10 1.25 -2.27 0.00 0.00 179.45 177.67 2x95 h HIS 410 N -0.46 0.65 0.00 1.91 2.76 -1.69 -2.92 115.15 115.40 2x95 h HIS 410 Ca 0.08 -0.15 -0.05 0.00 -2.20 0.00 0.00 60.37 58.05 2x95 h HIS 410 Cb 0.60 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.39 2x95 h HIS 410 CO -0.44 0.79 -0.26 -0.07 -1.30 0.00 0.00 177.93 176.65 2x95 h LEU 411 N 0.33 0.00 -0.41 0.26 3.38 -1.16 -1.24 115.31 116.46 2x95 h LEU 411 Ca 0.07 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 2x95 h LEU 411 Cb 0.60 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2x95 h LEU 411 CO 0.03 0.26 -0.27 -0.33 0.09 0.00 0.00 178.44 178.22 2x95 h GLU 412 N 0.00 0.91 -0.75 1.13 5.08 -1.17 -0.39 114.58 119.40 2x95 h GLU 412 Ca -0.00 -0.43 0.07 0.00 -1.00 0.00 0.00 59.36 58.00 2x95 h GLU 412 Cb 0.48 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.66 2x95 h GLU 412 CO 0.03 1.08 0.43 0.87 -1.00 0.00 0.00 179.01 180.43 2x95 h LYS 413 N 0.73 0.76 -0.38 2.33 1.57 -1.05 -1.93 116.57 118.59 2x95 h LYS 413 Ca 0.08 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2x95 h LYS 413 Cb 0.85 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.99 2x95 h LYS 413 CO 0.07 0.50 0.00 0.44 -0.57 0.00 0.00 179.45 179.90 2x95 n ILE 414 N -4.73 0.51 -1.50 1.86 -5.35 -0.90 -4.93 119.36 104.32 2x95 n ILE 414 Ca 0.10 -0.52 -0.14 0.00 -0.27 0.00 0.00 62.75 61.92 2x95 n ILE 414 Cb 0.19 0.27 -0.06 0.00 -1.74 0.00 0.00 39.64 38.31 2x95 n ILE 414 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2x95 n GLY 415 N 1.13 1.31 0.09 3.28 0.00 -0.73 -4.87 105.19 105.40 2x95 n GLY 415 Ca 0.13 -0.35 0.12 0.00 0.00 0.00 0.00 46.02 45.92 2x95 n GLY 415 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2x95 n LEU 416 N -1.67 0.76 -4.08 0.99 4.77 -0.20 -4.78 117.00 112.80 2x95 n LEU 416 Ca -0.15 0.25 -0.32 0.00 -0.03 0.00 0.00 56.01 55.76 2x95 n LEU 416 Cb 0.49 -0.10 -0.16 0.00 -2.33 0.00 0.00 43.42 41.32 2x95 n LEU 416 CO 0.22 -0.12 -0.49 -0.22 -1.33 0.00 0.00 177.39 175.45 2x95 s LEU 417 N -4.83 2.67 0.04 2.23 2.96 -0.90 -4.78 118.68 116.08 2x95 s LEU 417 Ca 0.02 -0.99 0.06 0.00 -0.22 0.00 0.00 54.13 53.00 2x95 s LEU 417 Cb 0.11 -1.46 -0.03 0.00 0.50 0.00 0.00 46.19 45.31 2x95 s LEU 417 CO 0.77 -0.10 -0.15 -0.54 -1.32 0.00 0.00 176.35 175.01 2x95 s LYS 418 N 1.24 2.15 -1.44 1.98 1.02 -1.26 -4.37 119.74 119.06 2x95 s LYS 418 Ca -0.02 -0.95 -0.08 0.00 0.02 0.00 0.00 55.97 54.95 2x95 s LYS 418 Cb -0.16 -2.25 0.05 0.00 -0.52 0.00 0.00 37.83 34.94 2x95 s LYS 418 CO -0.09 0.55 0.86 -0.25 -0.92 0.00 0.00 175.35 175.49 2x95 n ASP 419 N 1.45 -3.25 -4.63 2.83 10.43 -1.26 -4.95 116.55 117.18 2x95 n ASP 419 Ca -0.16 -0.80 -0.38 0.00 2.57 0.00 0.00 54.79 56.02 2x95 n ASP 419 Cb 0.52 -3.94 -0.09 0.00 1.84 0.00 0.00 41.12 39.46 2x95 n ASP 419 CO 0.00 0.00 0.00 -0.47 -1.07 0.00 0.00 177.20 175.66 2x95 s TYR 420 N -3.47 3.29 -0.27 1.24 5.04 -1.26 -5.06 117.35 116.86 2x95 s TYR 420 Ca 0.38 0.41 -0.09 0.00 -2.44 0.00 0.00 57.07 55.34 2x95 s TYR 420 Cb -0.19 -2.50 -0.03 0.00 0.35 0.00 0.00 41.96 39.58 2x95 s TYR 420 CO 0.82 -0.13 0.13 0.08 -1.34 0.00 0.00 175.55 175.11 2x95 s VAL 421 N 1.72 4.71 -1.21 3.14 1.01 -1.26 -5.03 120.40 123.48 2x95 s VAL 421 Ca 0.14 -0.09 -0.08 0.00 0.00 0.00 0.00 61.98 61.96 2x95 s VAL 421 Cb -0.15 -3.25 0.22 0.00 0.00 0.00 0.00 36.38 33.19 2x95 s VAL 421 CO 0.09 0.26 1.74 -1.14 0.00 0.00 0.00 175.10 176.06 2x95 n ARG 422 N 4.98 3.91 -1.60 2.72 0.63 -1.26 -4.75 116.66 121.30 2x95 n ARG 422 Ca -0.15 -3.87 -0.17 0.00 -0.92 0.00 0.00 57.85 52.73 2x95 n ARG 422 Cb 0.51 -2.79 0.11 0.00 0.45 0.00 0.00 32.46 30.74 2x95 n ARG 422 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 2x95 n ASP 423 N 3.01 0.50 -0.21 6.15 3.85 -1.26 -4.85 116.55 123.73 2x95 n ASP 423 Ca 0.35 -1.55 0.03 0.00 -0.71 0.00 0.00 54.79 52.91 2x95 n ASP 423 Cb 0.35 -0.55 0.28 0.00 -1.35 0.00 0.00 41.12 39.86 2x95 n ASP 423 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 2x95 h ASP 424 N -0.76 0.80 -0.10 -1.12 3.45 -1.99 -1.43 116.42 115.26 2x95 h ASP 424 Ca -0.25 -0.01 -0.21 0.00 0.43 0.00 0.00 57.03 56.99 2x95 h ASP 424 Cb 0.80 -0.19 0.01 0.00 -0.56 0.00 0.00 39.33 39.39 2x95 h ASP 424 CO 0.22 0.55 -0.75 -0.33 -1.57 0.00 0.00 179.24 177.36 2x95 h GLU 425 N 0.93 0.69 -0.60 3.56 5.08 -1.96 -2.36 114.58 119.92 2x95 h GLU 425 Ca 0.30 -0.61 -0.04 0.00 -1.00 0.00 0.00 59.36 58.02 2x95 h GLU 425 Cb 0.04 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 2x95 h GLU 425 CO -0.08 1.21 0.23 0.00 -1.00 0.00 0.00 179.01 179.37 2x95 h ALA 426 N 0.48 1.28 -0.51 3.43 0.00 -1.81 -1.76 119.26 120.38 2x95 h ALA 426 Ca -0.07 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 2x95 h ALA 426 Cb 1.40 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 2x95 h ALA 426 CO 0.15 0.53 0.16 -0.09 0.00 0.00 0.00 179.25 180.01 2x95 h ARG 427 N 0.86 0.78 -0.67 0.00 2.43 -1.18 -1.39 114.38 115.22 2x95 h ARG 427 Ca 0.20 -0.17 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 2x95 h ARG 427 Cb 0.18 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 2x95 h ARG 427 CO -0.02 0.73 0.29 0.82 -1.51 0.00 0.00 179.97 180.28 2x95 h ILE 428 N 0.69 1.23 -0.36 1.20 1.08 -1.23 0.23 117.51 120.36 2x95 h ILE 428 Ca 0.16 -0.70 0.05 0.00 -0.39 0.00 0.00 64.86 63.98 2x95 h ILE 428 Cb 0.26 0.46 -0.05 0.00 -3.07 0.00 0.00 36.82 34.42 2x95 h ILE 428 CO -0.01 0.28 0.07 0.78 -0.69 0.00 0.00 178.15 178.59 2x95 h ASN 429 N 0.93 0.01 -0.32 1.72 4.21 -1.06 0.11 115.58 121.17 2x95 h ASN 429 Ca 0.22 0.06 -0.08 0.00 1.21 0.00 0.00 56.30 57.71 2x95 h ASN 429 Cb 0.17 0.08 -0.01 0.00 -1.12 0.00 0.00 38.32 37.44 2x95 h ASN 429 CO -0.02 0.04 -0.12 -0.61 -1.29 0.00 0.00 177.43 175.43 2x95 h GLN 430 N 0.19 0.65 -0.72 0.81 5.75 -1.01 -0.10 115.11 120.68 2x95 h GLN 430 Ca 0.17 -0.27 0.02 0.00 -0.15 0.00 0.00 58.65 58.42 2x95 h GLN 430 Cb 0.20 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.68 2x95 h GLN 430 CO -0.23 0.85 0.47 -0.07 -2.65 0.00 0.00 178.83 177.20 2x95 h LEU 431 N 0.42 0.79 -0.30 -2.39 3.38 -0.82 -0.83 115.31 115.58 2x95 h LEU 431 Ca 0.08 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 2x95 h LEU 431 Cb 0.63 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2x95 h LEU 431 CO 0.04 0.56 0.06 0.15 0.09 0.00 0.00 178.44 179.35 2x95 h PHE 432 N 0.94 0.51 -0.58 1.13 3.04 -0.64 -1.16 116.94 120.18 2x95 h PHE 432 Ca 0.28 -0.06 0.08 0.00 3.98 0.00 0.00 57.97 62.24 2x95 h PHE 432 Cb -0.05 -0.14 -0.06 0.00 2.56 0.00 0.00 35.95 38.25 2x95 h PHE 432 CO -0.03 0.56 0.24 1.25 -2.02 0.00 0.00 178.31 178.31 2x95 h LEU 433 N 0.31 0.28 -0.52 0.59 5.85 -0.81 -0.72 115.31 120.30 2x95 h LEU 433 Ca 0.09 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 2x95 h LEU 433 Cb 0.31 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 2x95 h LEU 433 CO 0.00 0.18 0.25 0.74 -0.34 0.00 0.00 178.44 179.27 2x95 h THR 434 N 0.45 1.20 -0.12 1.05 2.02 -0.95 -2.90 112.91 113.65 2x95 h THR 434 Ca 0.28 -0.55 -0.05 0.00 0.77 0.00 0.00 66.41 66.86 2x95 h THR 434 Cb 0.30 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 2x95 h THR 434 CO -0.26 0.22 -0.16 0.00 0.37 0.00 0.00 175.52 175.69 2x95 h ALA 435 N 1.09 1.51 0.00 6.16 0.00 -0.63 0.16 119.26 127.55 2x95 h ALA 435 Ca 0.18 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2x95 h ALA 435 Cb 0.12 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2x95 h ALA 435 CO -0.02 0.35 -0.03 -0.07 0.00 0.00 0.00 179.25 179.48 2x95 h LEU 436 N 0.18 0.00 0.00 0.00 3.38 -0.94 -0.47 115.31 117.46 2x95 h LEU 436 Ca 0.04 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.62 2x95 h LEU 436 Cb 0.40 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.10 2x95 h LEU 436 CO 0.03 0.03 -2.11 -0.67 0.09 0.00 0.00 178.44 175.81 2x95 n ASP 437 N -3.54 1.93 0.14 -0.43 2.03 -0.70 -1.14 116.55 114.83 2x95 n ASP 437 Ca -0.03 0.37 -0.25 0.00 0.52 0.00 0.00 54.79 55.41 2x95 n ASP 437 Cb 0.13 -0.87 -0.16 0.00 -0.72 0.00 0.00 41.12 39.50 2x95 n ASP 437 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2x95 h LYS 438 N -1.00 0.52 0.04 -0.67 1.79 -0.54 -3.12 116.57 113.58 2x95 h LYS 438 Ca -0.58 -0.89 -0.12 0.00 -2.18 0.00 0.00 60.65 56.88 2x95 h LYS 438 Cb 1.50 0.33 -0.00 0.00 -1.58 0.00 0.00 32.23 32.48 2x95 h LYS 438 CO -0.35 1.42 -0.63 0.82 -1.08 0.00 0.00 179.45 179.63 2x95 h ILE 439 N 0.12 1.44 -0.85 1.86 1.08 -1.31 -3.36 117.51 116.49 2x95 h ILE 439 Ca -0.27 -2.35 0.17 0.00 -0.39 0.00 0.00 64.86 62.03 2x95 h ILE 439 Cb 2.15 3.00 -0.06 0.00 -3.07 0.00 0.00 36.82 38.84 2x95 h ILE 439 CO 0.26 0.58 0.56 0.58 -0.69 0.00 0.00 178.15 179.44 2x95 h VAL 440 N -0.79 0.74 0.00 1.67 2.07 -1.64 -2.02 116.25 116.28 2x95 h VAL 440 Ca -0.15 -0.16 -0.07 0.00 0.82 0.00 0.00 66.70 67.14 2x95 h VAL 440 Cb 1.29 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 2x95 h VAL 440 CO -0.01 0.08 -0.35 0.15 0.02 0.00 0.00 177.57 177.46 2x95 h PHE 441 N 0.46 0.00 0.30 1.57 3.57 -1.54 -3.34 116.94 117.96 2x95 h PHE 441 Ca 0.43 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.92 2x95 h PHE 441 Cb 0.99 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.73 2x95 h PHE 441 CO -0.00 0.35 -0.14 -0.07 -2.23 0.00 0.00 178.31 176.21 2x95 h LEU 442 N 0.00 -0.34 -1.18 0.59 3.38 -1.51 0.18 115.31 116.44 2x95 h LEU 442 Ca -0.00 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 2x95 h LEU 442 Cb 0.63 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 2x95 h LEU 442 CO 0.05 -0.22 -0.05 1.55 0.09 0.00 0.00 178.44 179.86 2x95 h PRO 443 N -0.42 0.51 0.10 1.13 0.13 -1.75 -1.85 132.00 129.85 2x95 h PRO 443 Ca -0.04 -0.12 0.02 0.00 -0.87 0.00 0.00 66.00 64.98 2x95 h PRO 443 Cb 0.32 -0.07 -0.03 0.00 0.13 0.00 0.00 31.00 31.36 2x95 h PRO 443 CO 0.07 0.57 -0.21 0.35 -0.23 0.00 0.00 178.00 178.55 2x95 h PHE 444 N 0.49 -0.54 -0.66 1.56 3.57 -1.51 -1.88 116.94 117.96 2x95 h PHE 444 Ca 0.10 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 2x95 h PHE 444 Cb 0.39 0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.32 2x95 h PHE 444 CO 0.01 -0.30 0.39 0.00 -2.23 0.00 0.00 178.31 176.18 2x95 h ALA 445 N 0.43 0.85 -0.77 2.41 0.00 -0.46 -2.35 119.26 119.37 2x95 h ALA 445 Ca 0.03 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.88 2x95 h ALA 445 Cb 0.41 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 2x95 h ALA 445 CO -0.13 0.34 0.49 0.35 0.00 0.00 0.00 179.25 180.31 2x95 h PHE 446 N 0.91 0.92 -0.14 0.00 3.04 -1.20 -2.91 116.94 117.56 2x95 h PHE 446 Ca 0.24 0.02 -0.09 0.00 3.98 0.00 0.00 57.97 62.12 2x95 h PHE 446 Cb 0.00 -0.30 -0.01 0.00 2.56 0.00 0.00 35.95 38.19 2x95 h PHE 446 CO -0.01 0.53 -0.31 1.79 -2.02 0.00 0.00 178.31 178.29 2x95 h THR 447 N 0.96 1.27 -0.55 4.41 1.35 -0.82 -0.53 112.91 119.00 2x95 h THR 447 Ca 0.31 -1.29 0.07 0.00 -0.55 0.00 0.00 66.41 64.94 2x95 h THR 447 Cb 0.00 1.51 -0.06 0.00 -1.73 0.00 0.00 68.15 67.87 2x95 h THR 447 CO -0.11 0.39 0.23 0.24 -0.25 0.00 0.00 175.52 176.03 2x95 h MET 448 N 0.25 0.43 0.04 4.72 2.86 -1.27 -0.15 114.93 121.82 2x95 h MET 448 Ca 0.03 -0.03 -0.29 0.00 -2.06 0.00 0.00 59.70 57.36 2x95 h MET 448 Cb 0.68 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.21 2x95 h MET 448 CO 0.05 0.28 -1.55 -0.44 1.06 0.00 0.00 176.91 176.31 2x95 h ASP 449 N 0.44 0.15 -0.88 1.22 3.45 -1.59 -2.94 116.42 116.27 2x95 h ASP 449 Ca 0.26 -0.24 0.11 0.00 0.43 0.00 0.00 57.03 57.59 2x95 h ASP 449 Cb 0.25 -0.05 -0.08 0.00 -0.56 0.00 0.00 39.33 38.89 2x95 h ASP 449 CO -0.23 1.21 0.51 0.11 -1.57 0.00 0.00 179.24 179.27 2x95 h LYS 450 N 0.03 0.81 0.45 3.56 1.57 -0.97 0.35 116.57 122.36 2x95 h LYS 450 Ca -0.24 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.47 2x95 h LYS 450 Cb 1.97 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 34.10 2x95 h LYS 450 CO 0.11 0.53 -0.22 -0.92 -0.57 0.00 0.00 179.45 178.39 2x95 h TYR 451 N 0.83 -0.57 -0.81 -1.35 3.20 -1.10 -2.26 116.97 114.91 2x95 h TYR 451 Ca 0.43 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.25 2x95 h TYR 451 Cb 0.43 0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.86 2x95 h TYR 451 CO -0.05 -0.26 0.33 0.00 -1.64 0.00 0.00 178.16 176.54 2x95 h ARG 452 N -0.82 1.20 -0.66 1.82 3.08 -1.31 -2.31 114.38 115.37 2x95 h ARG 452 Ca -0.06 -0.21 0.07 0.00 0.07 0.00 0.00 59.98 59.85 2x95 h ARG 452 Cb 0.56 -0.20 -0.06 0.00 0.08 0.00 0.00 29.97 30.35 2x95 h ARG 452 CO 0.10 0.96 0.34 -1.49 -1.07 0.00 0.00 179.97 178.81 2x95 h TRP 453 N 1.17 0.61 -0.22 3.04 6.55 -0.34 0.73 115.95 127.49 2x95 h TRP 453 Ca 0.27 0.03 -0.06 0.00 0.95 0.00 0.00 58.89 60.07 2x95 h TRP 453 Cb 0.20 -0.18 -0.01 0.00 -0.86 0.00 0.00 29.16 28.31 2x95 h TRP 453 CO 0.02 0.25 -0.14 0.66 -1.05 0.00 0.00 178.44 178.19 2x95 h SER 454 N 0.61 0.35 -0.06 -3.49 4.64 -0.86 0.17 113.55 114.90 2x95 h SER 454 Ca 0.31 -0.08 -0.08 0.00 -0.47 0.00 0.00 61.79 61.47 2x95 h SER 454 Cb 0.27 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2x95 h SER 454 CO -0.23 0.52 -0.29 -0.07 -0.87 0.00 0.00 176.83 175.89 2x95 h LEU 455 N 0.34 0.35 -0.69 5.97 3.38 -1.05 0.11 115.31 123.71 2x95 h LEU 455 Ca 0.07 -0.66 0.07 0.00 0.09 0.00 0.00 57.88 57.45 2x95 h LEU 455 Cb 0.45 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.03 2x95 h LEU 455 CO 0.03 0.95 0.37 -0.26 0.09 0.00 0.00 178.44 179.62 2x95 h PHE 456 N -0.23 0.68 0.00 1.13 0.05 -0.54 -1.88 116.94 116.16 2x95 h PHE 456 Ca -0.02 0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.80 2x95 h PHE 456 Cb 0.95 -0.20 0.00 0.00 2.00 0.00 0.00 35.95 38.69 2x95 h PHE 456 CO 0.14 0.30 0.00 0.54 -0.18 0.00 0.00 178.31 179.11 2x95 n ARG 457 N -4.80 0.48 -2.41 1.51 1.74 0.56 -4.59 116.66 109.14 2x95 n ARG 457 Ca 0.09 0.03 -0.11 0.00 -0.77 0.00 0.00 57.85 57.09 2x95 n ARG 457 Cb 0.20 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.15 2x95 n ARG 457 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2x95 n GLY 458 N 0.92 0.01 0.04 -0.13 0.00 -0.71 -4.93 105.19 100.40 2x95 n GLY 458 Ca 0.14 -0.39 0.12 0.00 0.00 0.00 0.00 46.02 45.89 2x95 n GLY 458 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2x95 n GLU 459 N -2.19 0.20 -4.59 1.61 1.02 0.35 -4.80 120.64 112.24 2x95 n GLU 459 Ca -0.09 0.04 -0.30 0.00 -0.02 0.00 0.00 57.16 56.79 2x95 n GLU 459 Cb 0.58 -1.61 -0.17 0.00 -0.02 0.00 0.00 31.44 30.22 2x95 n GLU 459 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2x95 s VAL 460 N -3.12 1.70 0.45 2.62 1.01 -1.23 -5.03 120.40 116.80 2x95 s VAL 460 Ca 0.07 -0.77 -0.24 0.00 0.00 0.00 0.00 61.98 61.04 2x95 s VAL 460 Cb 0.15 -1.53 -0.08 0.00 0.00 0.00 0.00 36.38 34.92 2x95 s VAL 460 CO 0.73 0.48 1.25 -1.81 0.00 0.00 0.00 175.10 175.75 2x95 s ASP 461 N 0.86 6.10 0.46 3.32 1.01 -1.26 -4.91 116.67 122.26 2x95 s ASP 461 Ca -0.08 2.52 0.22 0.00 0.71 0.00 0.00 52.55 55.92 2x95 s ASP 461 Cb -0.15 -2.62 1.23 0.00 1.01 0.00 0.00 42.92 42.38 2x95 s ASP 461 CO -0.01 -0.98 1.88 0.11 0.21 0.00 0.00 175.17 176.38 2x95 h LYS 462 N 2.25 0.24 0.00 8.23 1.57 -2.00 0.13 116.57 126.99 2x95 h LYS 462 Ca -0.50 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 2x95 h LYS 462 Cb 1.25 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.51 2x95 h LYS 462 CO 0.61 0.16 0.00 0.00 -0.57 0.00 0.00 179.45 179.65 2x95 n ALA 463 N -2.59 1.47 -0.08 3.86 0.00 -1.26 -3.00 120.51 118.92 2x95 n ALA 463 Ca 0.18 0.13 0.02 0.00 0.00 0.00 0.00 53.44 53.77 2x95 n ALA 463 Cb 0.77 -1.37 0.05 0.00 0.00 0.00 0.00 19.45 18.89 2x95 n ALA 463 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2x95 n ASN 464 N -2.27 2.28 -0.29 0.00 5.03 0.44 -4.83 115.26 115.62 2x95 n ASN 464 Ca 0.01 -2.04 -0.04 0.00 0.87 0.00 0.00 54.58 53.38 2x95 n ASN 464 Cb 0.17 -0.08 0.07 0.00 -1.02 0.00 0.00 39.78 38.92 2x95 n ASN 464 CO 0.00 0.00 0.00 -0.50 -1.83 0.00 0.00 177.26 174.93 2x95 h TRP 465 N 0.57 1.01 -0.09 3.10 4.06 -1.49 -1.31 115.95 121.80 2x95 h TRP 465 Ca 0.00 0.02 -0.09 0.00 2.06 0.00 0.00 58.89 60.88 2x95 h TRP 465 Cb 0.58 -0.34 0.00 0.00 -1.00 0.00 0.00 29.16 28.41 2x95 h TRP 465 CO 0.07 0.65 -0.28 -0.97 -3.56 0.00 0.00 178.44 174.34 2x95 h ASN 466 N 1.07 0.40 0.91 -3.49 -1.24 -1.86 -2.96 115.58 108.41 2x95 h ASN 466 Ca 0.29 -0.61 -0.05 0.00 0.71 0.00 0.00 56.30 56.63 2x95 h ASN 466 Cb -0.10 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 38.82 2x95 h ASN 466 CO -0.06 0.94 -0.25 0.00 -1.29 0.00 0.00 177.43 176.77 2x95 h ALA 468 N 1.75 1.59 0.25 0.00 0.00 -1.22 0.20 119.26 121.82 2x95 h ALA 468 Ca -0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2x95 h ALA 468 Cb 0.78 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2x95 h ALA 468 CO 0.03 0.38 -0.12 0.35 0.00 0.00 0.00 179.25 179.89 2x95 h PHE 469 N 0.77 -0.31 0.00 0.00 3.57 -1.17 -2.99 116.94 116.81 2x95 h PHE 469 Ca 0.21 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.62 2x95 h PHE 469 Cb -0.09 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 2x95 h PHE 469 CO 0.00 0.00 -0.39 -1.49 -2.23 0.00 0.00 178.31 174.21 2x95 h TRP 470 N -0.65 0.00 -0.62 0.41 4.06 -1.27 -2.37 115.95 115.52 2x95 h TRP 470 Ca -0.03 0.00 0.02 0.00 2.06 0.00 0.00 58.89 60.93 2x95 h TRP 470 Cb 0.46 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.58 2x95 h TRP 470 CO 0.02 0.39 0.40 0.87 -3.56 0.00 0.00 178.44 176.56 2x95 h LYS 471 N 0.00 0.78 -0.33 0.49 1.57 -0.65 -0.59 116.57 117.84 2x95 h LYS 471 Ca -0.00 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 2x95 h LYS 471 Cb 0.72 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 2x95 h LYS 471 CO 0.05 0.51 0.06 -0.07 -0.57 0.00 0.00 179.45 179.44 2x95 h LEU 472 N 0.80 0.51 -1.29 2.94 3.38 -1.31 -0.50 115.31 119.84 2x95 h LEU 472 Ca 0.24 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2x95 h LEU 472 Cb -0.04 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 2x95 h LEU 472 CO -0.07 0.63 0.46 0.03 0.09 0.00 0.00 178.44 179.57 2x95 h ARG 473 N 0.37 0.93 0.68 1.13 2.47 -1.23 -0.91 114.38 117.83 2x95 h ARG 473 Ca 0.10 -0.06 -0.03 0.00 -1.26 0.00 0.00 59.98 58.73 2x95 h ARG 473 Cb 0.33 -0.21 0.01 0.00 -1.65 0.00 0.00 29.97 28.45 2x95 h ARG 473 CO 0.00 0.63 -0.33 0.22 0.56 0.00 0.00 179.97 181.05 2x95 h ASP 474 N 0.96 -0.77 -0.80 7.04 -0.00 -0.97 -1.66 116.42 120.22 2x95 h ASP 474 Ca 0.26 0.02 0.10 0.00 -0.00 0.00 0.00 57.03 57.41 2x95 h ASP 474 Cb -0.10 0.20 -0.08 0.00 -0.00 0.00 0.00 39.33 39.36 2x95 h ASP 474 CO -0.05 -0.39 0.43 -0.08 -0.00 0.00 0.00 179.24 179.15 2x95 h GLU 475 N -1.23 0.69 0.05 0.28 4.81 -0.86 -0.13 114.58 118.19 2x95 h GLU 475 Ca -0.09 -0.04 -0.34 0.00 -0.13 0.00 0.00 59.36 58.75 2x95 h GLU 475 Cb 0.71 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.89 2x95 h GLU 475 CO 0.15 0.46 -1.94 0.66 -0.73 0.00 0.00 179.01 177.61 2x95 n TYR 476 N -4.80 0.79 0.08 0.92 4.01 -0.37 -4.63 117.16 113.17 2x95 n TYR 476 Ca 0.13 0.24 0.10 0.00 -0.16 0.00 0.00 57.90 58.21 2x95 n TYR 476 Cb 0.30 -1.09 -0.16 0.00 -0.31 0.00 0.00 39.34 38.08 2x95 n TYR 476 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2x95 n SER 477 N -3.85 0.34 -2.37 7.72 7.64 -0.67 -4.86 113.62 117.57 2x95 n SER 477 Ca -0.38 -0.09 -0.16 0.00 1.01 0.00 0.00 58.87 59.25 2x95 n SER 477 Cb 0.90 1.86 0.04 0.00 -1.01 0.00 0.00 64.21 66.00 2x95 n SER 477 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2x95 n GLY 478 N 1.34 -0.16 3.48 0.23 0.00 -0.06 -4.95 105.19 105.06 2x95 n GLY 478 Ca -0.03 -0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 2x95 n GLY 478 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2x95 s ILE 479 N -3.07 2.07 0.11 -0.61 -5.25 -1.23 -1.24 121.20 111.99 2x95 s ILE 479 Ca 0.28 -2.22 -0.15 0.00 -0.99 0.00 0.00 60.65 57.56 2x95 s ILE 479 Cb -0.12 -2.46 0.03 0.00 2.95 0.00 0.00 42.46 42.85 2x95 s ILE 479 CO 0.35 -0.31 0.37 -1.83 -1.79 0.00 0.00 174.94 171.72 2x95 s GLU 480 N -3.63 1.01 0.76 0.37 -1.05 -0.79 -3.66 118.70 111.72 2x95 s GLU 480 Ca 0.30 -0.70 -0.15 0.00 -0.15 0.00 0.00 54.97 54.27 2x95 s GLU 480 Cb 0.01 0.44 0.05 0.00 -0.44 0.00 0.00 34.13 34.19 2x95 s GLU 480 CO 0.14 -0.38 1.20 -2.30 0.95 0.00 0.00 175.26 174.87 2x95 n PRO 481 N -0.10 0.44 0.21 -4.83 -0.02 -1.26 -0.97 135.00 128.48 2x95 n PRO 481 Ca -0.16 0.22 0.09 0.00 -2.02 0.00 0.00 63.50 61.62 2x95 n PRO 481 Cb 0.63 -2.44 0.44 0.00 -0.02 0.00 0.00 33.50 32.11 2x95 n PRO 481 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2x95 h PRO 482 N -0.49 0.00 -5.41 0.52 0.13 -1.95 -3.43 132.00 121.36 2x95 h PRO 482 Ca -0.48 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.23 2x95 h PRO 482 Cb 1.31 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.30 2x95 h PRO 482 CO 0.48 0.27 -0.71 0.14 -0.23 0.00 0.00 178.00 177.94 2x95 s VAL 483 N -3.70 1.54 0.02 1.56 -7.23 -1.26 -5.08 120.40 106.26 2x95 s VAL 483 Ca -0.00 -2.15 -0.30 0.00 -1.81 0.00 0.00 61.98 57.72 2x95 s VAL 483 Cb 0.11 -2.11 -0.07 0.00 0.56 0.00 0.00 36.38 34.87 2x95 s VAL 483 CO 0.65 -0.54 1.56 -0.69 -0.31 0.00 0.00 175.10 175.77 2x95 s VAL 484 N -3.09 3.36 0.38 1.32 1.01 -1.26 -4.90 120.40 117.21 2x95 s VAL 484 Ca 0.23 0.74 0.08 0.00 0.00 0.00 0.00 61.98 63.03 2x95 s VAL 484 Cb 0.01 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 2x95 s VAL 484 CO 0.07 -0.01 0.29 -0.13 0.00 0.00 0.00 175.10 175.32 2x95 s ARG 485 N 2.77 2.54 0.14 2.72 1.81 0.15 -5.00 118.95 124.09 2x95 s ARG 485 Ca 0.70 -1.48 -0.01 0.00 -1.72 0.00 0.00 55.73 53.21 2x95 s ARG 485 Cb -0.36 -2.34 0.01 0.00 -0.45 0.00 0.00 34.95 31.81 2x95 s ARG 485 CO 0.30 -0.04 0.20 -1.13 -0.68 0.00 0.00 175.30 173.95 2x95 n SER 486 N -1.39 -0.57 0.00 0.23 3.41 -1.26 -0.75 113.62 113.28 2x95 n SER 486 Ca 0.00 -1.70 0.09 0.00 -0.26 0.00 0.00 58.87 57.00 2x95 n SER 486 Cb 0.61 1.04 0.45 0.00 -0.26 0.00 0.00 64.21 66.05 2x95 n SER 486 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2x95 n GLU 487 N -0.22 0.31 0.22 4.33 -0.58 -1.25 -1.46 120.64 121.99 2x95 n GLU 487 Ca -0.00 0.10 0.12 0.00 -0.42 0.00 0.00 57.16 56.96 2x95 n GLU 487 Cb 0.22 -1.50 0.29 0.00 -0.57 0.00 0.00 31.44 29.89 2x95 n GLU 487 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2x95 h LYS 488 N 0.00 0.00 -6.31 3.49 1.57 -1.94 -3.45 116.57 109.93 2x95 h LYS 488 Ca 0.00 0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 58.33 2x95 h LYS 488 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 2x95 h LYS 488 CO 0.00 0.07 -0.35 -0.51 -0.57 0.00 0.00 179.45 178.09 2x95 s ASP 489 N -6.12 6.07 -0.30 0.86 1.11 -0.53 -5.04 116.67 112.72 2x95 s ASP 489 Ca 0.05 -0.08 -0.01 0.00 0.18 0.00 0.00 52.55 52.68 2x95 s ASP 489 Cb 0.07 -1.43 0.12 0.00 1.07 0.00 0.00 42.92 42.75 2x95 s ASP 489 CO 0.65 -0.34 0.24 0.12 1.18 0.00 0.00 175.17 177.01 2x95 s PHE 490 N -2.14 -0.14 -0.12 4.23 5.36 -1.26 -4.72 117.98 119.18 2x95 s PHE 490 Ca 0.42 -0.50 0.21 0.00 -0.96 0.00 0.00 56.93 56.10 2x95 s PHE 490 Cb -0.09 -0.63 -0.19 0.00 -0.34 0.00 0.00 43.02 41.76 2x95 s PHE 490 CO 0.31 -0.89 0.66 -0.25 -1.46 0.00 0.00 175.22 173.59 2x95 n ASP 491 N 5.19 0.40 -0.17 6.13 8.00 -1.26 -1.24 116.55 133.60 2x95 n ASP 491 Ca -0.02 0.16 -0.02 0.00 0.71 0.00 0.00 54.79 55.62 2x95 n ASP 491 Cb 0.44 1.13 0.06 0.00 -0.02 0.00 0.00 41.12 42.73 2x95 n ASP 491 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2x95 h ALA 492 N 1.80 0.47 0.00 2.24 0.00 -1.94 -2.08 119.26 119.75 2x95 h ALA 492 Ca -0.08 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2x95 h ALA 492 Cb 1.23 0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.32 2x95 h ALA 492 CO 0.01 -0.40 0.00 -2.30 0.00 0.00 0.00 179.25 176.56 2x95 n PRO 493 N -5.28 0.12 0.12 0.00 -0.02 -1.26 -2.16 135.00 126.52 2x95 n PRO 493 Ca 0.06 0.21 0.09 0.00 -2.02 0.00 0.00 63.50 61.85 2x95 n PRO 493 Cb 0.29 -1.50 0.46 0.00 -0.02 0.00 0.00 33.50 32.73 2x95 n PRO 493 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2x95 n ALA 494 N -1.34 1.23 -2.69 3.55 0.00 -0.78 -4.01 120.51 116.47 2x95 n ALA 494 Ca 0.05 0.13 -0.37 0.00 0.00 0.00 0.00 53.44 53.24 2x95 n ALA 494 Cb 0.10 -1.28 -0.08 0.00 0.00 0.00 0.00 19.45 18.19 2x95 n ALA 494 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2x95 s LYS 495 N -3.37 4.19 0.19 0.00 2.47 -0.92 -4.91 119.74 117.39 2x95 s LYS 495 Ca 0.00 0.05 -0.23 0.00 -1.56 0.00 0.00 55.97 54.23 2x95 s LYS 495 Cb 0.06 -3.49 0.10 0.00 -1.46 0.00 0.00 37.83 33.05 2x95 s LYS 495 CO 0.22 0.10 1.57 -0.92 0.16 0.00 0.00 175.35 176.48 2x95 h TYR 496 N 7.11 -1.18 -0.22 4.03 3.20 -1.89 -0.53 116.97 127.48 2x95 h TYR 496 Ca -0.39 0.09 0.06 0.00 3.14 0.00 0.00 58.73 61.64 2x95 h TYR 496 Cb 1.16 0.62 -0.01 0.00 1.54 0.00 0.00 36.73 40.04 2x95 h TYR 496 CO 0.64 -0.40 0.16 0.45 -1.64 0.00 0.00 178.16 177.37 2x95 h HIS 497 N -0.14 0.00 -0.01 -3.82 3.86 -1.92 0.28 115.15 113.40 2x95 h HIS 497 Ca 0.23 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.29 2x95 h HIS 497 Cb 0.56 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.04 2x95 h HIS 497 CO -0.75 0.00 -0.60 0.82 0.86 0.00 0.00 177.93 178.25 2x95 h ILE 498 N 0.00 1.41 -0.33 2.45 2.04 -1.37 0.36 117.51 122.07 2x95 h ILE 498 Ca 0.10 -2.05 -0.08 0.00 1.00 0.00 0.00 64.86 63.84 2x95 h ILE 498 Cb 0.43 2.53 -0.02 0.00 -0.74 0.00 0.00 36.82 39.02 2x95 h ILE 498 CO -0.00 0.60 -0.11 0.28 0.00 0.00 0.00 178.15 178.91 2x95 h SER 499 N -0.06 0.55 -0.18 1.72 0.02 -1.08 -3.20 113.55 111.33 2x95 h SER 499 Ca -0.07 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 2x95 h SER 499 Cb 1.30 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.70 2x95 h SER 499 CO 0.12 0.70 0.00 0.00 -1.14 0.00 0.00 176.83 176.51 2x95 n ALA 500 N -2.48 2.51 -3.63 3.77 0.00 0.91 -3.87 120.51 117.72 2x95 n ALA 500 Ca 0.01 -0.60 -0.22 0.00 0.00 0.00 0.00 53.44 52.63 2x95 n ALA 500 Cb 0.33 -1.05 0.04 0.00 0.00 0.00 0.00 19.45 18.77 2x95 n ALA 500 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2x95 n ASP 501 N 0.55 -2.68 -4.29 0.00 4.64 -0.53 -4.99 116.55 109.26 2x95 n ASP 501 Ca 0.17 -0.84 -0.35 0.00 -1.38 0.00 0.00 54.79 52.39 2x95 n ASP 501 Cb 0.39 -4.12 -0.14 0.00 -1.04 0.00 0.00 41.12 36.21 2x95 n ASP 501 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 2x95 s VAL 502 N -3.59 3.26 0.29 5.18 1.01 0.00 -5.05 120.40 121.51 2x95 s VAL 502 Ca 0.15 -0.57 -0.29 0.00 0.00 0.00 0.00 61.98 61.27 2x95 s VAL 502 Cb -0.04 -2.50 -0.13 0.00 0.00 0.00 0.00 36.38 33.71 2x95 s VAL 502 CO 0.81 0.40 1.16 1.21 0.00 0.00 0.00 175.10 178.68 2x95 n GLU 503 N 4.78 1.69 -0.01 2.72 0.00 -1.26 -4.67 120.64 123.89 2x95 n GLU 503 Ca -0.18 0.59 0.07 0.00 0.00 0.00 0.00 57.16 57.64 2x95 n GLU 503 Cb 0.50 -2.08 -0.11 0.00 0.00 0.00 0.00 31.44 29.76 2x95 n GLU 503 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 2x95 n TYR 504 N 0.55 0.00 0.19 4.31 9.36 -1.26 -4.54 117.16 125.76 2x95 n TYR 504 Ca 0.08 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.43 2x95 n TYR 504 Cb 0.33 -0.27 0.70 0.00 -0.63 0.00 0.00 39.34 39.47 2x95 n TYR 504 CO 0.00 0.00 0.00 1.25 0.22 0.00 0.00 176.86 178.33 2x95 h LEU 505 N 0.00 0.00 -1.37 2.98 5.85 -1.92 -0.51 115.31 120.34 2x95 h LEU 505 Ca 0.00 0.00 0.31 0.00 0.84 0.00 0.00 57.88 59.03 2x95 h LEU 505 Cb 0.60 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 41.52 2x95 h LEU 505 CO 0.00 0.00 0.71 0.08 -0.34 0.00 0.00 178.44 178.89 2x95 h ARG 506 N 0.00 0.30 0.07 1.25 0.11 -1.90 -0.70 114.38 113.51 2x95 h ARG 506 Ca 0.07 -0.02 -0.25 0.00 0.10 0.00 0.00 59.98 59.88 2x95 h ARG 506 Cb 0.31 -0.07 0.01 0.00 1.11 0.00 0.00 29.97 31.32 2x95 h ARG 506 CO -0.00 0.20 -1.09 1.88 0.10 0.00 0.00 179.97 181.06 2x95 h TYR 507 N 0.31 0.60 -0.12 4.08 0.05 -1.41 -0.02 116.97 120.46 2x95 h TYR 507 Ca 0.65 -0.37 -0.01 0.00 0.05 0.00 0.00 58.73 59.05 2x95 h TYR 507 Cb 1.78 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 39.46 2x95 h TYR 507 CO -0.00 1.23 0.04 1.25 -1.05 0.00 0.00 178.16 179.63 2x95 h LEU 508 N 0.17 0.16 -0.21 3.88 5.85 -1.39 -0.30 115.31 123.46 2x95 h LEU 508 Ca -0.11 -0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.47 2x95 h LEU 508 Cb 1.77 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.71 2x95 h LEU 508 CO 0.19 0.30 -0.06 0.58 -0.34 0.00 0.00 178.44 179.11 2x95 h VAL 509 N 0.02 0.77 -0.24 1.05 2.07 -1.17 -2.76 116.25 115.99 2x95 h VAL 509 Ca 0.04 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.61 2x95 h VAL 509 Cb 0.19 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.68 2x95 h VAL 509 CO -0.00 0.00 -0.08 -1.28 0.02 0.00 0.00 177.57 176.23 2x95 h SER 510 N -0.01 -0.27 0.21 0.57 0.87 -0.83 -0.05 113.55 114.03 2x95 h SER 510 Ca 0.10 0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.73 2x95 h SER 510 Cb 0.17 0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.30 2x95 h SER 510 CO -0.23 -0.10 -0.04 -0.26 -0.53 0.00 0.00 176.83 175.67 2x95 h PHE 511 N -0.02 0.00 0.00 2.24 0.05 -0.85 0.28 116.94 118.64 2x95 h PHE 511 Ca 0.12 0.00 -0.02 0.00 3.82 0.00 0.00 57.97 61.89 2x95 h PHE 511 Cb 0.21 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.15 2x95 h PHE 511 CO -0.26 0.04 -0.18 0.82 -0.18 0.00 0.00 178.31 178.56 2x95 h ILE 512 N 0.00 0.51 0.00 -0.55 2.04 -1.13 -3.40 117.51 114.98 2x95 h ILE 512 Ca -0.00 -1.42 -0.05 0.00 1.00 0.00 0.00 64.86 64.39 2x95 h ILE 512 Cb 0.16 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 2x95 h ILE 512 CO 0.01 0.17 -0.25 0.16 0.00 0.00 0.00 178.15 178.24 2x95 h ILE 513 N -1.00 0.64 -0.08 -0.67 3.07 -0.76 -2.85 117.51 115.86 2x95 h ILE 513 Ca -0.03 -1.15 0.02 0.00 1.55 0.00 0.00 64.86 65.26 2x95 h ILE 513 Cb 0.42 1.75 -0.00 0.00 -0.27 0.00 0.00 36.82 38.73 2x95 h ILE 513 CO -0.02 0.24 0.08 0.06 -1.05 0.00 0.00 178.15 177.47 2x95 h GLN 514 N 0.00 0.00 0.01 0.16 3.07 -0.66 -0.51 115.11 117.18 2x95 h GLN 514 Ca -0.00 0.00 -0.22 0.00 0.09 0.00 0.00 58.65 58.52 2x95 h GLN 514 Cb 0.73 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.27 2x95 h GLN 514 CO 0.03 0.00 -1.08 0.74 0.09 0.00 0.00 178.83 178.61 2x95 h PHE 515 N 0.00 0.04 -0.19 0.06 0.04 -1.72 0.36 116.94 115.53 2x95 h PHE 515 Ca 0.04 -0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 2x95 h PHE 515 Cb 0.19 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 2x95 h PHE 515 CO 0.00 1.02 0.06 1.96 -0.60 0.00 0.00 178.31 180.75 2x95 h GLN 516 N 0.01 0.29 -0.30 1.51 4.20 -1.35 -0.64 115.11 118.83 2x95 h GLN 516 Ca -0.04 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 2x95 h GLN 516 Cb 1.81 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 29.53 2x95 h GLN 516 CO 0.13 0.39 0.16 0.74 -0.67 0.00 0.00 178.83 179.58 2x95 h PHE 517 N 0.13 0.41 -0.19 2.96 0.05 -1.15 -2.49 116.94 116.66 2x95 h PHE 517 Ca 0.06 -0.01 -0.01 0.00 3.82 0.00 0.00 57.97 61.83 2x95 h PHE 517 Cb 0.22 -0.13 -0.01 0.00 2.00 0.00 0.00 35.95 38.03 2x95 h PHE 517 CO -0.00 0.34 0.09 -0.92 -0.18 0.00 0.00 178.31 177.64 2x95 h TYR 518 N 0.36 0.27 -0.50 -0.55 3.20 -0.90 0.27 116.97 119.11 2x95 h TYR 518 Ca 0.10 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.98 2x95 h TYR 518 Cb 0.07 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.22 2x95 h TYR 518 CO -0.03 0.29 0.31 -0.22 -1.64 0.00 0.00 178.16 176.87 2x95 h LYS 519 N 0.18 0.60 -0.29 1.82 3.64 -1.13 -0.12 116.57 121.27 2x95 h LYS 519 Ca 0.06 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.35 2x95 h LYS 519 Cb 0.12 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 2x95 h LYS 519 CO -0.01 0.40 -0.06 0.77 -2.27 0.00 0.00 179.45 178.27 2x95 h SER 520 N 0.62 0.56 -0.89 4.20 0.02 -1.33 -1.31 113.55 115.42 2x95 h SER 520 Ca 0.20 -0.36 0.04 0.00 -0.84 0.00 0.00 61.79 60.83 2x95 h SER 520 Cb -0.00 -0.15 -0.06 0.00 0.14 0.00 0.00 62.40 62.33 2x95 h SER 520 CO -0.08 0.79 0.57 0.00 -1.14 0.00 0.00 176.83 176.98 2x95 h ALA 521 N 0.79 1.19 -0.50 3.77 0.00 -0.76 -0.23 119.26 123.53 2x95 h ALA 521 Ca 0.07 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 2x95 h ALA 521 Cb 0.54 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2x95 h ALA 521 CO 0.03 0.40 -0.12 0.00 0.00 0.00 0.00 179.25 179.55 2x95 h ILE 523 N 0.82 1.15 -0.51 0.00 2.04 -0.88 0.27 117.51 120.40 2x95 h ILE 523 Ca 0.13 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.54 2x95 h ILE 523 Cb 0.69 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.73 2x95 h ILE 523 CO 0.05 0.15 0.33 0.11 0.00 0.00 0.00 178.15 178.79 2x95 h LYS 524 N 0.26 0.68 0.00 2.37 1.57 -0.96 -1.86 116.57 118.64 2x95 h LYS 524 Ca 0.08 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2x95 h LYS 524 Cb 0.14 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.29 2x95 h LYS 524 CO -0.01 0.47 0.00 0.00 -0.57 0.00 0.00 179.45 179.34 2x95 n ALA 525 N -2.46 2.43 -1.34 3.86 0.00 -0.13 -4.74 120.51 118.13 2x95 n ALA 525 Ca 0.05 -0.13 -0.08 0.00 0.00 0.00 0.00 53.44 53.27 2x95 n ALA 525 Cb 0.06 -1.48 -0.03 0.00 0.00 0.00 0.00 19.45 18.00 2x95 n ALA 525 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x95 n GLY 526 N 1.31 0.91 0.00 0.00 0.00 -0.70 -4.92 105.19 101.79 2x95 n GLY 526 Ca 0.12 -0.65 0.11 0.00 0.00 0.00 0.00 46.02 45.60 2x95 n GLY 526 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2x95 n GLN 527 N -2.65 0.07 -3.92 1.61 1.13 0.88 -4.87 117.38 109.62 2x95 n GLN 527 Ca -0.08 -0.01 -0.22 0.00 -1.94 0.00 0.00 57.00 54.74 2x95 n GLN 527 Cb 0.30 -1.51 -0.17 0.00 0.11 0.00 0.00 30.24 28.97 2x95 n GLN 527 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 2x95 s TYR 528 N -3.05 0.75 -0.10 1.08 5.04 -0.98 -4.52 117.35 115.57 2x95 s TYR 528 Ca 0.07 -0.22 -0.03 0.00 -2.44 0.00 0.00 57.07 54.45 2x95 s TYR 528 Cb 0.16 -0.78 0.04 0.00 0.35 0.00 0.00 41.96 41.73 2x95 s TYR 528 CO 0.83 -0.29 0.04 0.34 -1.34 0.00 0.00 175.55 175.13 2x95 s ASP 529 N 1.56 1.84 0.58 4.32 3.68 -1.07 -4.45 116.67 123.13 2x95 s ASP 529 Ca -0.01 -0.28 0.38 0.00 2.13 0.00 0.00 52.55 54.78 2x95 s ASP 529 Cb -0.13 -0.33 2.01 0.00 -1.45 0.00 0.00 42.92 43.02 2x95 s ASP 529 CO -0.04 -0.26 2.17 1.55 0.13 0.00 0.00 175.17 178.72 2x95 h PRO 530 N 8.37 0.00 -0.35 4.34 0.13 -1.99 -1.72 132.00 140.78 2x95 h PRO 530 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 2x95 h PRO 530 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2x95 h PRO 530 CO 0.25 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.77 2x95 n ASP 531 N -2.90 3.26 -4.11 1.44 8.00 -1.26 -4.86 116.55 116.11 2x95 n ASP 531 Ca -0.02 -1.94 -0.33 0.00 0.71 0.00 0.00 54.79 53.21 2x95 n ASP 531 Cb 0.10 -0.22 -0.15 0.00 -0.02 0.00 0.00 41.12 40.83 2x95 n ASP 531 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2x95 s ASN 532 N -1.37 4.33 0.61 -2.24 3.84 -0.65 -4.99 114.94 114.48 2x95 s ASN 532 Ca 0.34 -1.20 0.36 0.00 0.21 0.00 0.00 52.86 52.57 2x95 s ASN 532 Cb 0.20 -1.59 1.97 0.00 -0.55 0.00 0.00 41.25 41.29 2x95 s ASN 532 CO 0.28 -0.17 2.25 1.62 -2.79 0.00 0.00 177.10 178.29 2x95 h VAL 533 N 6.51 0.29 0.00 -5.21 3.04 -1.89 -1.75 116.25 117.24 2x95 h VAL 533 Ca -0.25 -0.14 0.00 0.00 -1.01 0.00 0.00 66.70 65.30 2x95 h VAL 533 Cb 1.07 1.10 0.00 0.00 -2.01 0.00 0.00 31.29 31.45 2x95 h VAL 533 CO 0.51 0.02 -0.04 -0.62 -1.01 0.00 0.00 177.57 176.44 2x95 n GLU 534 N -3.45 0.21 -3.27 4.17 -0.58 -1.26 -4.28 120.64 112.17 2x95 n GLU 534 Ca -0.03 0.16 -0.26 0.00 -0.42 0.00 0.00 57.16 56.62 2x95 n GLU 534 Cb 0.12 -1.73 -0.07 0.00 -0.57 0.00 0.00 31.44 29.19 2x95 n GLU 534 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2x95 n LEU 535 N -2.09 2.70 -4.83 -4.62 4.77 -0.66 -5.09 117.00 107.18 2x95 n LEU 535 Ca 0.06 -5.25 -0.33 0.00 -0.03 0.00 0.00 56.01 50.46 2x95 n LEU 535 Cb 0.41 -0.20 -0.05 0.00 -2.33 0.00 0.00 43.42 41.25 2x95 n LEU 535 CO 0.30 2.12 0.67 -2.16 -1.33 0.00 0.00 177.39 176.99 2x95 s PRO 536 N -2.28 4.07 0.38 3.23 0.04 -1.26 -2.60 135.00 136.58 2x95 s PRO 536 Ca 0.40 1.08 0.05 0.00 0.04 0.00 0.00 61.00 62.56 2x95 s PRO 536 Cb 0.19 -2.15 0.74 0.00 0.04 0.00 0.00 34.50 33.32 2x95 s PRO 536 CO -0.06 -0.17 2.02 1.25 0.04 0.00 0.00 177.00 180.09 2x95 h LEU 537 N 1.48 0.62 0.00 -3.56 5.85 -1.92 -2.54 115.31 115.24 2x95 h LEU 537 Ca -0.48 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.22 2x95 h LEU 537 Cb 1.19 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.06 2x95 h LEU 537 CO 0.61 0.44 0.00 -0.90 -0.34 0.00 0.00 178.44 178.25 2x95 n ASP 538 N -4.46 0.00 -0.43 1.25 5.75 -1.26 -2.67 116.55 114.73 2x95 n ASP 538 Ca 0.06 -0.78 0.06 0.00 -0.01 0.00 0.00 54.79 54.12 2x95 n ASP 538 Cb 0.07 -0.02 0.12 0.00 -1.03 0.00 0.00 41.12 40.26 2x95 n ASP 538 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2x95 n ASN 539 N -1.02 1.58 -4.72 -1.12 5.15 -0.96 -4.82 115.26 109.36 2x95 n ASN 539 Ca 0.19 -2.95 -0.42 0.00 -0.60 0.00 0.00 54.58 50.81 2x95 n ASN 539 Cb 0.10 -0.39 -0.03 0.00 -0.53 0.00 0.00 39.78 38.92 2x95 n ASN 539 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2x95 s ASP 541 N 0.77 3.78 0.00 0.00 3.68 -1.26 -4.48 116.67 119.15 2x95 s ASP 541 Ca 0.55 -1.05 0.14 0.00 2.13 0.00 0.00 52.55 54.32 2x95 s ASP 541 Cb -0.28 -1.43 0.41 0.00 -1.45 0.00 0.00 42.92 40.18 2x95 s ASP 541 CO 0.30 -0.13 1.34 2.30 0.13 0.00 0.00 175.17 179.11 2x95 n ILE 542 N 4.56 0.58 -1.72 4.11 -5.35 -1.26 -4.94 119.36 115.34 2x95 n ILE 542 Ca -0.16 -0.59 -0.42 0.00 -0.27 0.00 0.00 62.75 61.31 2x95 n ILE 542 Cb 0.45 0.31 -0.01 0.00 -1.74 0.00 0.00 39.64 38.66 2x95 n ILE 542 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2x95 n TYR 543 N 0.80 2.51 -0.91 4.28 9.36 -1.26 -2.32 117.16 129.61 2x95 n TYR 543 Ca 0.15 0.51 0.00 0.00 3.32 0.00 0.00 57.90 61.88 2x95 n TYR 543 Cb 0.38 -2.46 0.00 0.00 -0.63 0.00 0.00 39.34 36.63 2x95 n TYR 543 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2x95 n GLY 544 N 0.79 0.50 3.45 2.98 0.00 -1.24 -4.97 105.19 106.69 2x95 n GLY 544 Ca 0.04 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.62 2x95 n GLY 544 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2x95 s SER 545 N -2.34 6.24 0.31 1.61 0.15 -0.98 -4.72 113.70 113.97 2x95 s SER 545 Ca 0.00 -0.87 0.04 0.00 0.70 0.00 0.00 55.95 55.82 2x95 s SER 545 Cb 0.00 -2.33 0.52 0.00 -1.71 0.00 0.00 66.02 62.50 2x95 s SER 545 CO 0.00 -1.03 1.79 0.00 1.20 0.00 0.00 173.24 175.20 2x95 h ALA 546 N 9.13 1.24 -0.29 5.45 0.00 -1.76 -2.18 119.26 130.85 2x95 h ALA 546 Ca -0.28 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 2x95 h ALA 546 Cb 1.09 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2x95 h ALA 546 CO 1.02 0.50 0.12 0.00 0.00 0.00 0.00 179.25 180.89 2x95 h ALA 547 N 1.42 0.37 -0.56 0.00 0.00 -1.90 0.13 119.26 118.73 2x95 h ALA 547 Ca 0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2x95 h ALA 547 Cb 0.53 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2x95 h ALA 547 CO 0.03 -0.04 0.22 0.00 0.00 0.00 0.00 179.25 179.46 2x95 h ALA 548 N 0.97 0.73 -0.67 0.00 0.00 -1.81 -2.74 119.26 115.74 2x95 h ALA 548 Ca 0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2x95 h ALA 548 Cb 0.16 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2x95 h ALA 548 CO -0.01 0.34 0.39 0.78 0.00 0.00 0.00 179.25 180.75 2x95 h GLY 549 N 0.77 0.96 1.00 0.00 0.00 -1.19 -2.48 103.07 102.13 2x95 h GLY 549 Ca 0.19 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 2x95 h GLY 549 CO -0.01 0.39 0.32 0.00 0.00 0.00 0.00 176.54 177.23 2x95 h ALA 550 N 1.51 0.82 -0.64 3.60 0.00 -0.47 0.14 119.26 124.23 2x95 h ALA 550 Ca 0.24 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2x95 h ALA 550 Cb -0.02 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 2x95 h ALA 550 CO -0.04 0.37 0.36 0.00 0.00 0.00 0.00 179.25 179.94 2x95 h ALA 551 N 1.15 0.82 -0.36 0.00 0.00 -1.20 -0.76 119.26 118.90 2x95 h ALA 551 Ca 0.22 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2x95 h ALA 551 Cb 0.10 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2x95 h ALA 551 CO -0.03 0.33 0.20 0.74 0.00 0.00 0.00 179.25 180.48 2x95 h PHE 552 N 0.87 0.50 -0.28 0.00 0.04 -1.09 -2.52 116.94 114.46 2x95 h PHE 552 Ca 0.23 -0.01 0.03 0.00 2.80 0.00 0.00 57.97 61.01 2x95 h PHE 552 Cb 0.03 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 37.99 2x95 h PHE 552 CO -0.01 0.40 0.11 1.25 -0.60 0.00 0.00 178.31 179.46 2x95 h HIS 553 N 0.46 0.20 -0.83 -0.55 2.76 -0.44 0.19 115.15 116.93 2x95 h HIS 553 Ca 0.13 0.01 0.15 0.00 -2.20 0.00 0.00 60.37 58.46 2x95 h HIS 553 Cb 0.07 -0.05 -0.09 0.00 1.55 0.00 0.00 27.41 28.88 2x95 h HIS 553 CO -0.03 0.10 0.41 -0.91 -1.30 0.00 0.00 177.93 176.21 2x95 h ASN 554 N 0.24 0.49 0.02 3.26 2.35 -1.02 -2.05 115.58 118.87 2x95 h ASN 554 Ca 0.12 0.09 -0.09 0.00 -0.55 0.00 0.00 56.30 55.87 2x95 h ASN 554 Cb 0.08 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 2x95 h ASN 554 CO -0.11 0.20 -0.49 -0.03 -1.65 0.00 0.00 177.43 175.35 2x95 h MET 555 N 0.59 0.04 -0.19 0.81 4.05 -1.04 -3.38 114.93 115.82 2x95 h MET 555 Ca 0.45 -0.06 -0.09 0.00 -0.28 0.00 0.00 59.70 59.72 2x95 h MET 555 Cb 0.65 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.46 2x95 h MET 555 CO -0.37 1.03 -0.27 -0.07 0.23 0.00 0.00 176.91 177.46 2x95 h LEU 556 N -0.91 0.36 -2.08 3.39 3.38 -0.60 -2.66 115.31 116.18 2x95 h LEU 556 Ca -0.12 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 2x95 h LEU 556 Cb 1.18 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 2x95 h LEU 556 CO -0.04 0.63 -0.05 0.77 0.09 0.00 0.00 178.44 179.83 2x95 h SER 557 N 0.31 0.00 0.54 -0.43 4.64 -1.53 -2.30 113.55 114.78 2x95 h SER 557 Ca 0.05 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.29 2x95 h SER 557 Cb 0.65 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.73 2x95 h SER 557 CO 0.05 0.05 -0.34 0.24 -0.87 0.00 0.00 176.83 175.96 2x95 h MET 558 N 0.00 0.00 0.00 4.77 2.86 -1.64 -3.42 114.93 117.50 2x95 h MET 558 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2x95 h MET 558 Cb 0.30 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.96 2x95 h MET 558 CO 0.01 0.34 0.00 0.41 1.06 0.00 0.00 176.91 178.73 2x95 n GLY 559 N -0.23 3.21 1.60 8.32 0.00 -0.86 -1.66 105.19 115.57 2x95 n GLY 559 Ca -0.01 -0.08 -0.06 0.00 0.00 0.00 0.00 46.02 45.87 2x95 n GLY 559 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x95 n ALA 560 N 10.18 4.38 0.27 4.61 0.00 -0.22 -3.42 120.51 136.31 2x95 n ALA 560 Ca 0.00 -2.65 0.15 0.00 0.00 0.00 0.00 53.44 50.94 2x95 n ALA 560 Cb 0.00 -1.04 0.76 0.00 0.00 0.00 0.00 19.45 19.17 2x95 n ALA 560 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2x95 h SER 561 N 1.77 0.00 -4.66 0.00 4.64 -1.53 -3.44 113.55 110.33 2x95 h SER 561 Ca 0.27 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.31 2x95 h SER 561 Cb 2.08 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.97 2x95 h SER 561 CO 0.61 0.09 -0.73 -0.54 -0.87 0.00 0.00 176.83 175.39 2x95 s LYS 562 N -3.97 0.66 0.52 4.77 -0.14 -1.26 -4.99 119.74 115.32 2x95 s LYS 562 Ca -0.02 -0.95 -0.21 0.00 -1.36 0.00 0.00 55.97 53.44 2x95 s LYS 562 Cb 0.12 -0.34 -0.07 0.00 -1.68 0.00 0.00 37.83 35.85 2x95 s LYS 562 CO 0.55 0.05 1.00 -2.30 -0.76 0.00 0.00 175.35 173.89 2x95 n PRO 563 N 1.01 1.16 -0.09 -1.68 -0.02 -1.26 -4.76 135.00 129.35 2x95 n PRO 563 Ca -0.20 0.43 0.17 0.00 -2.02 0.00 0.00 63.50 61.88 2x95 n PRO 563 Cb 0.56 -2.14 0.57 0.00 -0.02 0.00 0.00 33.50 32.48 2x95 n PRO 563 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 2x95 h TRP 564 N 1.01 0.30 0.00 6.00 5.08 -1.91 -0.90 115.95 125.52 2x95 h TRP 564 Ca -0.47 0.01 -0.01 0.00 1.08 0.00 0.00 58.89 59.49 2x95 h TRP 564 Cb 1.35 -0.09 -0.00 0.00 -3.00 0.00 0.00 29.16 27.41 2x95 h TRP 564 CO 0.40 0.12 -0.07 -1.35 -1.28 0.00 0.00 178.44 176.26 2x95 h PRO 565 N 0.26 0.00 -0.03 0.12 0.11 -1.90 0.36 132.00 130.91 2x95 h PRO 565 Ca 0.32 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.27 2x95 h PRO 565 Cb 0.88 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.97 2x95 h PRO 565 CO -0.07 0.07 -0.68 -0.44 -0.21 0.00 0.00 178.00 176.67 2x95 h ASP 566 N 0.00 0.19 -0.07 -2.05 3.45 -1.50 -1.54 116.42 114.90 2x95 h ASP 566 Ca -0.00 -0.12 -0.24 0.00 0.43 0.00 0.00 57.03 57.10 2x95 h ASP 566 Cb 0.15 -0.06 0.01 0.00 -0.56 0.00 0.00 39.33 38.88 2x95 h ASP 566 CO 0.01 0.81 -0.86 0.00 -1.57 0.00 0.00 179.24 177.62 2x95 h ALA 567 N 1.19 0.27 -0.69 3.45 0.00 -1.20 -2.30 119.26 119.97 2x95 h ALA 567 Ca -0.01 -0.63 -0.01 0.00 0.00 0.00 0.00 54.91 54.25 2x95 h ALA 567 Cb 1.21 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 2x95 h ALA 567 CO 0.10 0.69 0.40 1.25 0.00 0.00 0.00 179.25 181.69 2x95 h LEU 568 N 0.48 0.85 -1.26 0.00 5.85 -1.00 -2.90 115.31 117.33 2x95 h LEU 568 Ca -0.08 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 2x95 h LEU 568 Cb 1.50 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.28 2x95 h LEU 568 CO 0.17 0.69 0.32 -0.08 -0.34 0.00 0.00 178.44 179.21 2x95 h GLU 569 N 0.95 0.83 0.00 1.25 4.81 -0.10 -1.12 114.58 121.19 2x95 h GLU 569 Ca 0.25 -0.09 -0.04 0.00 -0.13 0.00 0.00 59.36 59.35 2x95 h GLU 569 Cb 0.01 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 2x95 h GLU 569 CO -0.04 0.61 -0.19 0.00 -0.73 0.00 0.00 179.01 178.66 2x95 h ALA 570 N 1.52 1.47 0.04 2.92 0.00 -1.22 0.76 119.26 124.76 2x95 h ALA 570 Ca 0.21 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2x95 h ALA 570 Cb 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2x95 h ALA 570 CO -0.03 0.24 -0.02 0.35 0.00 0.00 0.00 179.25 179.79 2x95 h PHE 571 N 0.00 -0.06 0.00 0.00 3.57 -1.04 -3.42 116.94 115.99 2x95 h PHE 571 Ca -0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2x95 h PHE 571 Cb 0.39 0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.15 2x95 h PHE 571 CO 0.00 0.50 -0.13 0.27 -2.23 0.00 0.00 178.31 176.72 2x95 n ASN 572 N -4.75 0.00 0.00 0.41 0.23 -0.83 -4.84 115.26 105.48 2x95 n ASN 572 Ca -0.07 -1.25 0.00 0.00 -0.53 0.00 0.00 54.58 52.73 2x95 n ASN 572 Cb 0.28 -0.05 0.00 0.00 -2.08 0.00 0.00 39.78 37.93 2x95 n ASN 572 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2x95 n GLY 573 N 0.00 1.37 3.93 4.83 0.00 0.26 -5.00 105.19 110.57 2x95 n GLY 573 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 2x95 n GLY 573 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x95 s GLU 574 N -0.02 3.53 0.00 1.61 2.02 -1.26 -4.82 118.70 119.77 2x95 s GLU 574 Ca 0.00 -0.28 0.00 0.00 0.02 0.00 0.00 54.97 54.71 2x95 s GLU 574 Cb 0.00 -2.76 0.00 0.00 0.10 0.00 0.00 34.13 31.47 2x95 s GLU 574 CO 0.00 0.31 0.37 0.54 0.02 0.00 0.00 175.26 176.50 2x95 n ARG 575 N -0.99 -0.36 -5.06 1.61 1.74 -1.26 -1.26 116.66 111.07 2x95 n ARG 575 Ca -0.04 -0.40 -0.30 0.00 -0.77 0.00 0.00 57.85 56.33 2x95 n ARG 575 Cb 0.54 -0.82 -0.17 0.00 -1.02 0.00 0.00 32.46 31.00 2x95 n ARG 575 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2x95 s ILE 576 N -0.07 1.82 0.02 0.55 1.01 -1.26 -4.67 121.20 118.59 2x95 s ILE 576 Ca 0.00 -0.89 -0.30 0.00 0.00 0.00 0.00 60.65 59.46 2x95 s ILE 576 Cb 0.00 -1.58 -0.06 0.00 0.01 0.00 0.00 42.46 40.83 2x95 s ILE 576 CO 0.00 0.51 1.47 -0.32 0.00 0.00 0.00 174.94 176.60 2x95 s MET 577 N 0.32 4.26 -0.02 2.79 -2.45 -1.26 -5.01 119.30 117.93 2x95 s MET 577 Ca -0.15 2.07 -0.02 0.00 -1.25 0.00 0.00 55.69 56.34 2x95 s MET 577 Cb -0.16 -3.57 0.00 0.00 1.25 0.00 0.00 34.83 32.35 2x95 s MET 577 CO 0.07 -0.62 0.06 0.45 1.05 0.00 0.00 175.02 176.03 2x95 s SER 578 N 2.01 -0.02 0.00 1.11 0.15 -1.26 -5.02 113.70 110.66 2x95 s SER 578 Ca 0.67 0.03 0.16 0.00 0.70 0.00 0.00 55.95 57.51 2x95 s SER 578 Cb -0.34 0.14 0.64 0.00 -1.71 0.00 0.00 66.02 64.75 2x95 s SER 578 CO 0.28 -0.09 1.46 0.61 1.20 0.00 0.00 173.24 176.70 2x95 n GLY 579 N 2.73 0.02 0.18 9.45 0.00 -1.26 -4.31 105.19 111.99 2x95 n GLY 579 Ca -0.15 -0.32 -0.07 0.00 0.00 0.00 0.00 46.02 45.48 2x95 n GLY 579 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2x95 h LYS 580 N 1.57 0.48 -0.19 1.61 3.64 -1.96 -2.69 116.57 119.04 2x95 h LYS 580 Ca 0.00 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 2x95 h LYS 580 Cb 0.35 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 2x95 h LYS 580 CO 0.00 0.32 0.04 0.00 -2.27 0.00 0.00 179.45 177.53 2x95 h ALA 581 N 1.17 0.25 -0.72 5.00 0.00 -1.89 -1.13 119.26 121.93 2x95 h ALA 581 Ca 0.16 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2x95 h ALA 581 Cb -0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2x95 h ALA 581 CO -0.07 -0.10 0.28 0.97 0.00 0.00 0.00 179.25 180.34 2x95 h ILE 582 N 0.10 1.25 -0.47 0.00 2.10 -1.83 -1.58 117.51 117.09 2x95 h ILE 582 Ca 0.06 -0.80 -0.06 0.00 1.08 0.00 0.00 64.86 65.13 2x95 h ILE 582 Cb 0.30 0.42 -0.02 0.00 -1.09 0.00 0.00 36.82 36.42 2x95 h ILE 582 CO 0.00 0.32 0.03 0.00 -1.08 0.00 0.00 178.15 177.43 2x95 h ALA 583 N 1.13 1.18 -0.36 0.18 0.00 -1.39 -2.56 119.26 117.45 2x95 h ALA 583 Ca 0.24 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2x95 h ALA 583 Cb 0.23 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2x95 h ALA 583 CO -0.02 0.54 0.12 1.49 0.00 0.00 0.00 179.25 181.38 2x95 h GLU 584 N 0.71 0.56 -0.57 0.00 4.81 -0.79 0.16 114.58 119.45 2x95 h GLU 584 Ca 0.15 -0.12 0.05 0.00 -0.13 0.00 0.00 59.36 59.30 2x95 h GLU 584 Cb 0.39 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.64 2x95 h GLU 584 CO 0.01 0.57 0.31 -0.92 -0.73 0.00 0.00 179.01 178.26 2x95 h TYR 585 N 0.44 0.57 -0.02 0.92 3.20 -1.11 -3.08 116.97 117.89 2x95 h TYR 585 Ca 0.12 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.01 2x95 h TYR 585 Cb 0.24 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.34 2x95 h TYR 585 CO 0.01 0.28 -0.17 1.19 -1.64 0.00 0.00 178.16 177.83 2x95 n PHE 586 N -4.83 0.00 -0.27 -3.82 3.72 -0.98 -4.49 117.46 106.79 2x95 n PHE 586 Ca 0.06 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.54 2x95 n PHE 586 Cb 0.14 -0.04 0.22 0.00 -0.94 0.00 0.00 39.48 38.86 2x95 n PHE 586 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 2x95 h GLU 587 N 2.51 0.30 -0.49 -1.08 4.57 -0.86 0.72 114.58 120.26 2x95 h GLU 587 Ca 0.00 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 2x95 h GLU 587 Cb 0.65 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.15 2x95 h GLU 587 CO 0.00 0.20 0.28 -1.35 -1.18 0.00 0.00 179.01 176.95 2x95 h PRO 588 N 0.31 0.66 -0.19 0.92 0.11 -1.81 -2.12 132.00 129.87 2x95 h PRO 588 Ca 0.46 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 66.46 2x95 h PRO 588 Cb 0.81 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.77 2x95 h PRO 588 CO -0.52 0.48 -0.07 1.25 -0.21 0.00 0.00 178.00 178.93 2x95 h LEU 589 N 0.67 0.40 -0.39 2.35 5.85 -1.25 -2.80 115.31 120.14 2x95 h LEU 589 Ca 0.17 -0.39 0.07 0.00 0.84 0.00 0.00 57.88 58.58 2x95 h LEU 589 Cb 0.00 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 40.86 2x95 h LEU 589 CO -0.03 0.70 -0.00 -0.09 -0.34 0.00 0.00 178.44 178.67 2x95 h ARG 590 N 0.09 0.10 -0.04 1.25 2.43 -0.68 0.29 114.38 117.81 2x95 h ARG 590 Ca 0.05 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.23 2x95 h ARG 590 Cb 0.54 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 2x95 h ARG 590 CO 0.02 0.06 -0.05 0.28 -1.51 0.00 0.00 179.97 178.78 2x95 h VAL 591 N 0.10 0.85 -0.43 0.20 2.07 -1.45 -1.23 116.25 116.36 2x95 h VAL 591 Ca 0.19 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.69 2x95 h VAL 591 Cb 0.27 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 2x95 h VAL 591 CO -0.32 0.00 0.17 -0.25 0.02 0.00 0.00 177.57 177.19 2x95 h TRP 592 N -0.07 0.66 -0.32 1.57 7.01 -1.15 -3.05 115.95 120.61 2x95 h TRP 592 Ca 0.04 -0.05 -0.12 0.00 2.11 0.00 0.00 58.89 60.86 2x95 h TRP 592 Cb 0.12 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 26.98 2x95 h TRP 592 CO -0.14 0.57 -0.28 1.25 -2.79 0.00 0.00 178.44 177.05 2x95 h LEU 593 N 0.56 0.80 -0.70 0.65 5.85 -0.31 -0.01 115.31 122.15 2x95 h LEU 593 Ca 0.14 -0.46 0.03 0.00 0.84 0.00 0.00 57.88 58.43 2x95 h LEU 593 Cb 0.19 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 2x95 h LEU 593 CO -0.01 1.09 0.44 -0.33 -0.34 0.00 0.00 178.44 179.29 2x95 h GLU 594 N 0.52 0.84 -0.42 1.25 5.08 -1.27 0.09 114.58 120.67 2x95 h GLU 594 Ca 0.05 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 2x95 h GLU 594 Cb 0.86 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 2x95 h GLU 594 CO 0.07 0.56 -0.19 0.00 -1.00 0.00 0.00 179.01 178.45 2x95 h ALA 595 N 1.29 0.58 -0.65 3.43 0.00 -1.42 -2.61 119.26 119.90 2x95 h ALA 595 Ca 0.28 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 2x95 h ALA 595 Cb 0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 2x95 h ALA 595 CO -0.10 0.53 0.20 1.49 0.00 0.00 0.00 179.25 181.37 2x95 h GLU 596 N 0.68 1.01 -0.49 0.00 4.57 -0.61 0.71 114.58 120.45 2x95 h GLU 596 Ca 0.09 -0.22 -0.06 0.00 -1.18 0.00 0.00 59.36 57.99 2x95 h GLU 596 Cb 0.74 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 29.17 2x95 h GLU 596 CO 0.06 0.89 0.06 -0.91 -1.18 0.00 0.00 179.01 177.92 2x95 h ASN 597 N 0.94 0.74 -0.22 1.04 2.35 -0.99 -1.11 115.58 118.32 2x95 h ASN 597 Ca 0.21 -0.15 -0.09 0.00 -0.55 0.00 0.00 56.30 55.72 2x95 h ASN 597 Cb 0.30 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.47 2x95 h ASN 597 CO -0.01 0.77 -0.20 0.40 -1.65 0.00 0.00 177.43 176.74 2x95 h ILE 598 N 0.74 1.32 -0.97 2.81 2.04 -1.22 0.21 117.51 122.44 2x95 h ILE 598 Ca 0.15 -1.36 0.12 0.00 1.00 0.00 0.00 64.86 64.78 2x95 h ILE 598 Cb 0.37 1.70 -0.08 0.00 -0.74 0.00 0.00 36.82 38.07 2x95 h ILE 598 CO 0.01 0.42 0.62 0.50 0.00 0.00 0.00 178.15 179.70 2x95 h LYS 599 N 0.22 0.92 -0.65 2.37 3.64 -0.63 -2.36 116.57 120.09 2x95 h LYS 599 Ca 0.04 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2x95 h LYS 599 Cb 0.75 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 2x95 h LYS 599 CO 0.05 0.61 0.00 0.09 -2.27 0.00 0.00 179.45 177.93 2x95 n ASN 600 N -4.59 4.05 -3.97 4.20 3.02 -0.44 -4.97 115.26 112.56 2x95 n ASN 600 Ca 0.18 -2.15 -0.27 0.00 -0.03 0.00 0.00 54.58 52.31 2x95 n ASN 600 Cb 0.35 -0.48 -0.01 0.00 -0.61 0.00 0.00 39.78 39.03 2x95 n ASN 600 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2x95 n ASN 601 N 1.30 -1.45 -4.69 6.41 5.15 -0.63 -4.88 115.26 116.46 2x95 n ASN 601 Ca 0.23 -0.96 -0.42 0.00 -0.60 0.00 0.00 54.58 52.83 2x95 n ASN 601 Cb 0.68 -3.22 -0.03 0.00 -0.53 0.00 0.00 39.78 36.68 2x95 n ASN 601 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2x95 s VAL 602 N -3.73 4.42 0.12 3.44 1.01 0.66 -4.99 120.40 121.32 2x95 s VAL 602 Ca 0.21 1.73 -0.31 0.00 0.00 0.00 0.00 61.98 63.61 2x95 s VAL 602 Cb -0.11 -4.11 -0.07 0.00 0.00 0.00 0.00 36.38 32.08 2x95 s VAL 602 CO 0.88 0.04 1.32 -2.28 0.00 0.00 0.00 175.10 175.06 2x95 s HIS 603 N 1.81 3.31 -0.09 5.22 2.46 -1.26 -4.89 115.29 121.84 2x95 s HIS 603 Ca 0.54 1.11 0.01 0.00 0.47 0.00 0.00 55.06 57.19 2x95 s HIS 603 Cb -0.23 -3.59 -0.02 0.00 -0.13 0.00 0.00 32.58 28.60 2x95 s HIS 603 CO 0.23 -1.95 -0.11 0.42 -2.47 0.00 0.00 174.74 170.85 2x95 s ILE 604 N 0.87 3.28 0.00 0.89 -1.09 -1.26 -4.64 121.20 119.25 2x95 s ILE 604 Ca 0.61 -0.61 0.00 0.00 -2.23 0.00 0.00 60.65 58.42 2x95 s ILE 604 Cb -0.35 -2.35 0.00 0.00 -1.58 0.00 0.00 42.46 38.18 2x95 s ILE 604 CO 0.32 0.56 0.00 0.61 -1.23 0.00 0.00 174.94 175.19 2x95 n GLY 605 N 2.88 0.54 3.21 6.18 0.00 -1.26 -5.09 105.19 111.65 2x95 n GLY 605 Ca -0.18 -1.94 -0.13 0.00 0.00 0.00 0.00 46.02 43.77 2x95 n GLY 605 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2x95 s TRP 606 N -1.69 -0.18 0.69 1.61 -2.14 -1.26 -4.78 118.94 111.19 2x95 s TRP 606 Ca 0.00 0.32 -0.12 0.00 2.66 0.00 0.00 56.10 58.96 2x95 s TRP 606 Cb 0.00 0.08 0.01 0.00 -3.10 0.00 0.00 33.47 30.46 2x95 s TRP 606 CO 0.00 -0.33 1.07 0.95 -2.66 0.00 0.00 176.95 175.98 2x95 s THR 607 N -1.05 3.74 0.25 0.66 -4.23 -0.47 -4.93 115.64 109.62 2x95 s THR 607 Ca -0.11 0.64 -0.30 0.00 -1.18 0.00 0.00 61.69 60.73 2x95 s THR 607 Cb -0.05 -3.25 -0.11 0.00 1.34 0.00 0.00 72.50 70.43 2x95 s THR 607 CO 0.03 -0.67 1.56 -0.89 -0.54 0.00 0.00 174.62 174.11 2x95 s THR 608 N -2.83 2.30 0.45 3.99 2.01 -1.26 -4.17 115.64 116.13 2x95 s THR 608 Ca 0.61 0.24 -0.25 0.00 0.31 0.00 0.00 61.69 62.60 2x95 s THR 608 Cb -0.16 -3.16 -0.08 0.00 0.01 0.00 0.00 72.50 69.12 2x95 s THR 608 CO 0.50 0.03 1.38 -0.55 -0.69 0.00 0.00 174.62 175.30 2x95 s SER 609 N 0.62 5.96 -0.15 3.53 0.15 -1.26 -4.95 113.70 117.60 2x95 s SER 609 Ca 0.64 2.81 0.15 0.00 0.70 0.00 0.00 55.95 60.26 2x95 s SER 609 Cb -0.46 -2.65 0.56 0.00 -1.71 0.00 0.00 66.02 61.77 2x95 s SER 609 CO 0.43 -1.11 1.47 0.59 1.20 0.00 0.00 173.24 175.82 2x95 n ASN 610 N -0.18 4.12 -0.55 5.45 3.02 -1.26 -4.67 115.26 121.18 2x95 n ASN 610 Ca 0.05 -2.74 0.11 0.00 -0.03 0.00 0.00 54.58 51.97 2x95 n ASN 610 Cb 0.43 -0.51 0.40 0.00 -0.61 0.00 0.00 39.78 39.49 2x95 n ASN 610 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2x95 n LYS 611 N 0.07 1.74 -3.82 3.52 4.76 -1.26 -4.64 118.16 118.52 2x95 n LYS 611 Ca 0.21 -1.10 -0.29 0.00 -2.87 0.00 0.00 58.31 54.26 2x95 n LYS 611 Cb 0.86 -1.42 -0.16 0.00 -1.84 0.00 0.00 35.03 32.47 2x95 n LYS 611 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2x95 s VAL 613 N 1.64 4.61 -2.00 0.00 1.01 0.07 -4.96 120.40 120.76 2x95 s VAL 613 Ca -0.02 1.77 0.30 0.00 0.00 0.00 0.00 61.98 64.03 2x95 s VAL 613 Cb -0.18 -4.34 0.86 0.00 0.00 0.00 0.00 36.38 32.72 2x95 s VAL 613 CO -0.08 -0.33 2.13 -1.20 0.00 0.00 0.00 175.10 175.62