#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dds h VAL 24 N 0.00 1.20 -0.85 3.44 2.07 -2.00 -1.66 116.25 118.46 3dds h VAL 24 Ca 0.00 -0.53 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 3dds h VAL 24 Cb 0.00 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.16 3dds h VAL 24 CO 0.00 0.23 0.52 0.00 0.02 0.00 0.00 177.57 178.33 3dds h ALA 25 N 1.15 1.08 -0.04 1.67 0.00 -2.00 -1.87 119.26 119.25 3dds h ALA 25 Ca 0.21 -0.09 -0.19 0.00 0.00 0.00 0.00 54.91 54.84 3dds h ALA 25 Cb 0.07 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3dds h ALA 25 CO -0.03 0.54 -0.80 0.93 0.00 0.00 0.00 179.25 179.88 3dds h GLU 26 N 1.16 0.33 -0.69 0.00 4.39 -1.95 -2.25 114.58 115.57 3dds h GLU 26 Ca 0.31 -0.30 0.01 0.00 0.34 0.00 0.00 59.36 59.71 3dds h GLU 26 Cb -0.06 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.63 3dds h GLU 26 CO -0.06 0.97 0.46 -0.07 -1.16 0.00 0.00 179.01 179.15 3dds h LEU 27 N 0.21 0.79 -0.43 1.33 3.38 -0.99 -0.05 115.31 119.55 3dds h LEU 27 Ca -0.04 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3dds h LEU 27 Cb 1.40 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 3dds h LEU 27 CO 0.13 0.57 0.22 0.11 0.09 0.00 0.00 178.44 179.56 3dds h LYS 28 N 0.93 0.62 -0.57 1.13 1.57 -1.25 -0.26 116.57 118.74 3dds h LYS 28 Ca 0.25 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3dds h LYS 28 Cb -0.11 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.06 3dds h LYS 28 CO -0.06 0.52 0.34 0.87 -0.57 0.00 0.00 179.45 180.56 3dds h LYS 29 N 0.56 0.78 -0.65 3.15 1.57 -1.13 -1.40 116.57 119.44 3dds h LYS 29 Ca 0.15 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 3dds h LYS 29 Cb 0.10 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 3dds h LYS 29 CO -0.02 0.56 0.24 0.77 -0.57 0.00 0.00 179.45 180.44 3dds h SER 30 N 0.77 0.92 -0.11 0.86 0.02 -0.80 -0.74 113.55 114.47 3dds h SER 30 Ca 0.20 -0.18 0.03 0.00 -0.84 0.00 0.00 61.79 61.00 3dds h SER 30 Cb -0.01 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.26 3dds h SER 30 CO -0.04 0.85 -0.11 0.15 -1.14 0.00 0.00 176.83 176.55 3dds h PHE 31 N 0.93 -0.26 -0.81 3.45 3.57 -0.80 -1.30 116.94 121.72 3dds h PHE 31 Ca 0.22 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.70 3dds h PHE 31 Cb 0.24 0.13 -0.04 0.00 2.79 0.00 0.00 35.95 39.07 3dds h PHE 31 CO 0.02 -0.16 0.37 -0.91 -2.23 0.00 0.00 178.31 175.39 3dds h ASN 32 N -0.13 1.08 -0.61 0.41 2.35 -0.96 -0.68 115.58 117.04 3dds h ASN 32 Ca 0.08 -0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.66 3dds h ASN 32 Cb 0.24 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.30 3dds h ASN 32 CO -0.18 0.93 0.30 0.03 -1.65 0.00 0.00 177.43 176.86 3dds h ARG 33 N 1.16 0.86 -0.49 0.81 3.08 -0.92 -1.70 114.38 117.18 3dds h ARG 33 Ca 0.28 -0.12 -0.10 0.00 0.07 0.00 0.00 59.98 60.11 3dds h ARG 33 Cb 0.15 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 3dds h ARG 33 CO -0.03 0.69 -0.07 0.45 -1.07 0.00 0.00 179.97 179.94 3dds h HIS 34 N 0.83 1.01 -0.88 3.04 3.86 -0.88 0.14 115.15 122.26 3dds h HIS 34 Ca 0.21 -0.20 0.05 0.00 -1.16 0.00 0.00 60.37 59.27 3dds h HIS 34 Cb 0.10 -0.25 -0.06 0.00 1.06 0.00 0.00 27.41 28.26 3dds h HIS 34 CO -0.00 0.97 0.56 1.25 0.86 0.00 0.00 177.93 181.56 3dds h LEU 35 N 0.76 0.90 0.23 2.43 5.85 -0.98 0.45 115.31 124.94 3dds h LEU 35 Ca 0.13 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 3dds h LEU 35 Cb 0.61 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.46 3dds h LEU 35 CO 0.04 0.59 -0.11 -0.74 -0.34 0.00 0.00 178.44 177.88 3dds h HIS 36 N 1.04 -0.29 0.13 1.25 2.76 -1.10 -2.64 115.15 116.30 3dds h HIS 36 Ca 0.37 -0.01 -0.30 0.00 -2.20 0.00 0.00 60.37 58.23 3dds h HIS 36 Cb 0.11 0.10 -0.00 0.00 1.55 0.00 0.00 27.41 29.16 3dds h HIS 36 CO -0.02 -0.18 -1.47 0.74 -1.30 0.00 0.00 177.93 175.69 3dds h PHE 37 N -1.00 0.49 0.11 5.26 0.04 -0.78 -2.38 116.94 118.68 3dds h PHE 37 Ca -0.03 -0.36 -0.30 0.00 2.80 0.00 0.00 57.97 60.08 3dds h PHE 37 Cb 0.24 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 3dds h PHE 37 CO 0.00 1.37 -1.56 1.15 -0.60 0.00 0.00 178.31 178.68 3dds h THR 38 N 0.07 0.92 0.00 -1.55 2.02 -1.09 -3.37 112.91 109.92 3dds h THR 38 Ca -0.22 -2.38 0.00 0.00 0.77 0.00 0.00 66.41 64.58 3dds h THR 38 Cb 2.02 2.63 0.00 0.00 -1.74 0.00 0.00 68.15 71.05 3dds h THR 38 CO 0.18 0.72 -0.94 0.18 0.37 0.00 0.00 175.52 176.03 3dds n LEU 39 N -3.85 0.66 -3.56 2.58 4.77 -0.44 -4.98 117.00 112.17 3dds n LEU 39 Ca -0.27 0.12 -0.20 0.00 -0.03 0.00 0.00 56.01 55.63 3dds n LEU 39 Cb 0.93 -0.11 0.05 0.00 -2.33 0.00 0.00 43.42 41.96 3dds n LEU 39 CO 0.40 -0.03 -0.01 0.52 -1.33 0.00 0.00 177.39 176.94 3dds n VAL 40 N -2.15 -5.71 -4.41 4.08 0.31 -0.90 -5.00 118.33 104.55 3dds n VAL 40 Ca 0.02 -0.67 -0.21 0.00 -0.01 0.00 0.00 64.34 63.46 3dds n VAL 40 Cb 0.46 -4.56 -0.16 0.00 -0.91 0.00 0.00 33.84 28.68 3dds n VAL 40 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3dds s LYS 41 N -5.59 1.08 0.38 5.55 -0.14 -1.02 -5.04 119.74 114.96 3dds s LYS 41 Ca 0.12 -0.31 -0.26 0.00 -1.36 0.00 0.00 55.97 54.16 3dds s LYS 41 Cb -0.03 -0.99 -0.09 0.00 -1.68 0.00 0.00 37.83 35.05 3dds s LYS 41 CO 0.79 0.08 1.13 0.34 -0.76 0.00 0.00 175.35 176.93 3dds s ASP 42 N 0.34 6.73 0.45 2.83 2.15 -1.26 -4.21 116.67 123.69 3dds s ASP 42 Ca -0.06 2.26 0.16 0.00 0.43 0.00 0.00 52.55 55.34 3dds s ASP 42 Cb -0.10 -2.61 1.10 0.00 -0.30 0.00 0.00 42.92 41.00 3dds s ASP 42 CO 0.01 -0.52 1.96 -0.09 -0.17 0.00 0.00 175.17 176.36 3dds h ARG 43 N 2.84 0.34 0.00 4.34 9.65 -1.97 -1.75 114.38 127.82 3dds h ARG 43 Ca -0.48 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.38 3dds h ARG 43 Cb 1.22 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.73 3dds h ARG 43 CO 0.63 0.22 0.00 -0.91 2.80 0.00 0.00 179.97 182.72 3dds h ASN 44 N 0.35 0.00 0.00 -3.80 2.35 -2.05 -2.49 115.58 109.93 3dds h ASN 44 Ca 0.30 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 3dds h ASN 44 Cb 0.72 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.09 3dds h ASN 44 CO -0.08 0.00 -0.01 1.33 -1.65 0.00 0.00 177.43 177.02 3dds n VAL 45 N -2.81 1.26 -2.06 2.81 0.24 -0.69 -5.07 118.33 112.01 3dds n VAL 45 Ca -0.01 -1.39 -0.34 0.00 -2.04 0.00 0.00 64.34 60.56 3dds n VAL 45 Cb 0.15 0.26 0.02 0.00 -1.47 0.00 0.00 33.84 32.80 3dds n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dds s ALA 46 N -1.60 2.63 0.37 2.33 0.00 -0.94 -4.95 121.76 119.59 3dds s ALA 46 Ca 0.11 0.64 0.08 0.00 0.00 0.00 0.00 51.96 52.79 3dds s ALA 46 Cb 0.10 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.87 3dds s ALA 46 CO 0.01 -0.94 0.28 0.95 0.00 0.00 0.00 175.76 176.07 3dds s THR 47 N -2.10 3.08 0.27 0.00 -4.23 -1.26 -5.01 115.64 106.40 3dds s THR 47 Ca 0.69 -1.44 -0.03 0.00 -1.18 0.00 0.00 61.69 59.72 3dds s THR 47 Cb -0.21 -3.07 0.23 0.00 1.34 0.00 0.00 72.50 70.78 3dds s THR 47 CO 0.33 -0.11 1.91 0.74 -0.54 0.00 0.00 174.62 176.95 3dds h THR 48 N 1.25 1.23 -0.84 3.99 2.02 -2.00 -1.84 112.91 116.72 3dds h THR 48 Ca -0.43 -0.54 -0.00 0.00 0.77 0.00 0.00 66.41 66.21 3dds h THR 48 Cb 1.26 0.11 -0.04 0.00 -1.74 0.00 0.00 68.15 67.74 3dds h THR 48 CO 0.60 0.25 0.52 -0.09 0.37 0.00 0.00 175.52 177.16 3dds h ARG 49 N 1.12 1.14 -0.82 6.66 2.43 -1.95 -1.17 114.38 121.78 3dds h ARG 49 Ca 0.29 -0.10 0.08 0.00 -0.81 0.00 0.00 59.98 59.44 3dds h ARG 49 Cb -0.01 -0.24 -0.07 0.00 -0.42 0.00 0.00 29.97 29.23 3dds h ARG 49 CO -0.05 0.79 0.48 -0.44 -1.51 0.00 0.00 179.97 179.24 3dds h ASP 50 N 1.15 0.72 -0.40 -3.80 3.32 -1.74 -0.72 116.42 114.95 3dds h ASP 50 Ca 0.30 0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.31 3dds h ASP 50 Cb -0.06 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 3dds h ASP 50 CO -0.06 0.44 -0.04 1.88 -1.72 0.00 0.00 179.24 179.74 3dds h TYR 51 N 0.85 0.82 -0.33 4.55 0.05 -0.96 -0.47 116.97 121.47 3dds h TYR 51 Ca 0.38 -0.15 0.05 0.00 0.05 0.00 0.00 58.73 59.06 3dds h TYR 51 Cb 0.28 -0.21 -0.05 0.00 1.01 0.00 0.00 36.73 37.76 3dds h TYR 51 CO -0.05 0.83 0.02 -0.92 -1.05 0.00 0.00 178.16 177.00 3dds h TYR 52 N 0.56 0.03 -0.70 4.88 3.20 -0.70 -1.25 116.97 122.99 3dds h TYR 52 Ca 0.11 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.93 3dds h TYR 52 Cb 0.53 0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.81 3dds h TYR 52 CO 0.04 -0.03 0.15 0.74 -1.64 0.00 0.00 178.16 177.42 3dds h PHE 53 N 0.12 1.20 -0.61 -3.82 0.04 -0.90 0.80 116.94 113.77 3dds h PHE 53 Ca 0.16 -0.15 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 3dds h PHE 53 Cb 0.20 -0.34 -0.03 0.00 2.20 0.00 0.00 35.95 37.99 3dds h PHE 53 CO -0.22 0.98 0.34 0.00 -0.60 0.00 0.00 178.31 178.82 3dds h ALA 54 N 1.08 0.78 -0.54 2.45 0.00 -0.84 -0.66 119.26 121.54 3dds h ALA 54 Ca 0.22 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 3dds h ALA 54 Cb 0.40 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3dds h ALA 54 CO 0.01 0.29 0.07 1.25 0.00 0.00 0.00 179.25 180.86 3dds h LEU 55 N 0.83 0.88 -0.32 0.00 5.85 -0.97 -1.94 115.31 119.63 3dds h LEU 55 Ca 0.22 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 3dds h LEU 55 Cb 0.03 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 3dds h LEU 55 CO -0.04 0.93 0.19 0.00 -0.34 0.00 0.00 178.44 179.18 3dds h ALA 56 N 0.98 0.41 -0.78 1.25 0.00 -0.43 -0.38 119.26 120.31 3dds h ALA 56 Ca 0.16 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3dds h ALA 56 Cb 0.44 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3dds h ALA 56 CO 0.01 -0.08 0.33 0.45 0.00 0.00 0.00 179.25 179.96 3dds h HIS 57 N 0.41 1.16 -0.30 0.00 3.86 -1.12 -0.17 115.15 118.98 3dds h HIS 57 Ca 0.11 -0.08 0.01 0.00 -1.16 0.00 0.00 60.37 59.26 3dds h HIS 57 Cb 0.03 -0.35 -0.02 0.00 1.06 0.00 0.00 27.41 28.13 3dds h HIS 57 CO -0.04 0.87 0.17 1.15 0.86 0.00 0.00 177.93 180.94 3dds h THR 58 N 1.12 1.03 -0.26 2.45 2.02 -0.89 -1.02 112.91 117.36 3dds h THR 58 Ca 0.26 -0.12 -0.05 0.00 0.77 0.00 0.00 66.41 67.27 3dds h THR 58 Cb 0.19 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 3dds h THR 58 CO -0.02 0.06 -0.01 0.58 0.37 0.00 0.00 175.52 176.50 3dds h VAL 59 N 0.35 1.26 -0.87 3.16 2.07 -0.87 -3.07 116.25 118.29 3dds h VAL 59 Ca 0.12 -0.95 0.07 0.00 0.82 0.00 0.00 66.70 66.75 3dds h VAL 59 Cb 0.01 1.37 -0.06 0.00 -1.52 0.00 0.00 31.29 31.08 3dds h VAL 59 CO -0.06 0.30 0.53 -0.09 0.02 0.00 0.00 177.57 178.27 3dds h ARG 60 N 0.24 0.93 -0.82 1.57 2.43 -0.87 -0.75 114.38 117.11 3dds h ARG 60 Ca 0.07 -0.06 0.18 0.00 -0.81 0.00 0.00 59.98 59.36 3dds h ARG 60 Cb 0.45 -0.21 -0.06 0.00 -0.42 0.00 0.00 29.97 29.73 3dds h ARG 60 CO 0.02 0.61 0.55 -0.44 -1.51 0.00 0.00 179.97 179.20 3dds h ASP 61 N 0.96 0.37 0.78 -3.80 3.32 -1.09 -1.18 116.42 115.79 3dds h ASP 61 Ca 0.39 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.47 3dds h ASP 61 Cb 0.21 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.72 3dds h ASP 61 CO -0.19 0.17 0.00 0.45 -1.72 0.00 0.00 179.24 177.95 3dds h HIS 62 N 0.39 0.00 -0.01 4.55 3.86 -1.11 -3.11 115.15 119.70 3dds h HIS 62 Ca 0.41 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.62 3dds h HIS 62 Cb 1.03 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.50 3dds h HIS 62 CO -0.00 0.00 -0.04 1.47 0.86 0.00 0.00 177.93 180.21 3dds n LEU 63 N -2.30 1.95 -0.20 2.43 -0.00 -0.45 -4.67 117.00 113.75 3dds n LEU 63 Ca 0.02 -0.96 -0.08 0.00 -0.00 0.00 0.00 56.01 54.99 3dds n LEU 63 Cb 0.24 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 43.69 3dds n LEU 63 CO 0.21 0.36 0.95 0.58 -0.00 0.00 0.00 177.39 179.49 3dds h VAL 64 N 2.33 1.24 -0.07 1.47 2.07 -1.48 -0.48 116.25 121.33 3dds h VAL 64 Ca 0.00 -0.79 0.03 0.00 0.82 0.00 0.00 66.70 66.76 3dds h VAL 64 Cb 0.52 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 3dds h VAL 64 CO 0.00 0.30 -0.09 1.23 0.02 0.00 0.00 177.57 179.02 3dds h GLY 65 N 0.80 -0.04 1.89 2.17 0.00 -1.83 -0.58 103.07 105.48 3dds h GLY 65 Ca 0.19 0.11 -0.08 0.00 0.00 0.00 0.00 47.33 47.55 3dds h GLY 65 CO -0.01 -0.10 -0.31 3.21 0.00 0.00 0.00 176.54 179.33 3dds h ARG 66 N -0.13 0.13 -0.06 4.80 3.08 -1.83 -1.13 114.38 119.24 3dds h ARG 66 Ca 0.06 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 3dds h ARG 66 Cb 0.21 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 3dds h ARG 66 CO -0.15 0.43 0.00 2.35 -1.07 0.00 0.00 179.97 181.53 3dds h TRP 67 N 0.11 0.11 -0.37 3.04 7.01 -0.49 0.15 115.95 125.51 3dds h TRP 67 Ca 0.02 -0.02 -0.04 0.00 2.11 0.00 0.00 58.89 60.96 3dds h TRP 67 Cb 0.60 -0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 27.62 3dds h TRP 67 CO 0.01 0.36 0.09 0.82 -2.79 0.00 0.00 178.44 176.93 3dds h ILE 68 N -0.18 1.22 0.00 2.65 2.04 -1.05 -2.63 117.51 119.57 3dds h ILE 68 Ca 0.02 -0.76 -0.08 0.00 1.00 0.00 0.00 64.86 65.04 3dds h ILE 68 Cb 0.32 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 3dds h ILE 68 CO 0.00 0.26 -0.37 0.03 0.00 0.00 0.00 178.15 178.07 3dds h ARG 69 N 0.45 0.00 -0.37 2.37 3.08 -1.15 -1.74 114.38 117.03 3dds h ARG 69 Ca 0.12 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.13 3dds h ARG 69 Cb 0.30 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 3dds h ARG 69 CO 0.00 0.37 0.08 1.15 -1.07 0.00 0.00 179.97 180.50 3dds h THR 70 N 0.00 1.23 -0.68 2.04 2.02 -0.56 -0.64 112.91 116.33 3dds h THR 70 Ca -0.00 -0.80 -0.00 0.00 0.77 0.00 0.00 66.41 66.37 3dds h THR 70 Cb 0.73 1.04 -0.03 0.00 -1.74 0.00 0.00 68.15 68.15 3dds h THR 70 CO 0.05 0.27 0.43 1.56 0.37 0.00 0.00 175.52 178.20 3dds h GLN 71 N 0.45 0.92 -0.45 6.66 1.08 -1.08 -1.69 115.11 121.00 3dds h GLN 71 Ca 0.11 -0.07 -0.02 0.00 -1.45 0.00 0.00 58.65 57.22 3dds h GLN 71 Cb 0.33 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 27.54 3dds h GLN 71 CO 0.00 0.64 0.19 0.37 -0.95 0.00 0.00 178.83 179.08 3dds h GLN 72 N 0.93 0.66 -0.58 1.46 4.15 -1.21 -2.03 115.11 118.49 3dds h GLN 72 Ca 0.25 -0.11 0.02 0.00 0.77 0.00 0.00 58.65 59.57 3dds h GLN 72 Cb -0.05 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.49 3dds h GLN 72 CO -0.05 0.59 0.37 1.25 -1.93 0.00 0.00 178.83 179.07 3dds h HIS 73 N 0.58 0.70 -0.44 3.99 2.76 -0.81 0.32 115.15 122.25 3dds h HIS 73 Ca 0.15 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.24 3dds h HIS 73 Cb 0.17 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 28.88 3dds h HIS 73 CO -0.00 0.42 -0.11 1.88 -1.30 0.00 0.00 177.93 178.82 3dds h TYR 74 N 0.75 0.87 -0.17 5.26 0.05 -1.20 0.38 116.97 122.91 3dds h TYR 74 Ca 0.22 -0.16 -0.02 0.00 0.05 0.00 0.00 58.73 58.83 3dds h TYR 74 Cb -0.04 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 37.47 3dds h TYR 74 CO -0.04 0.86 0.04 -0.92 -1.05 0.00 0.00 178.16 177.05 3dds h TYR 75 N 0.72 0.29 -0.12 4.88 3.20 -0.90 -1.65 116.97 123.39 3dds h TYR 75 Ca 0.12 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 3dds h TYR 75 Cb 0.59 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 3dds h TYR 75 CO 0.03 0.41 0.04 -0.44 -1.64 0.00 0.00 178.16 176.56 3dds h ASP 76 N 0.09 0.17 0.02 -2.11 3.32 -0.09 -3.33 116.42 114.48 3dds h ASP 76 Ca 0.05 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.92 3dds h ASP 76 Cb 0.26 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.77 3dds h ASP 76 CO 0.00 0.31 -0.81 0.29 -1.72 0.00 0.00 179.24 177.31 3dds n LYS 77 N -4.89 0.39 -3.84 3.56 4.76 0.10 -5.02 118.16 113.22 3dds n LYS 77 Ca -0.05 -0.32 -0.27 0.00 -2.87 0.00 0.00 58.31 54.79 3dds n LYS 77 Cb 0.13 -1.49 0.01 0.00 -1.84 0.00 0.00 35.03 31.83 3dds n LYS 77 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3dds s PRO 79 N -6.33 2.74 0.25 0.00 0.04 -1.26 -4.95 135.00 125.49 3dds s PRO 79 Ca 0.16 1.52 -0.31 0.00 0.04 0.00 0.00 61.00 62.41 3dds s PRO 79 Cb -0.06 -1.93 -0.11 0.00 0.04 0.00 0.00 34.50 32.44 3dds s PRO 79 CO 0.87 -1.32 1.59 0.21 0.04 0.00 0.00 177.00 178.39 3dds s LYS 80 N -3.91 4.16 -0.02 4.56 2.20 -1.26 -4.97 119.74 120.50 3dds s LYS 80 Ca 0.70 2.50 -0.06 0.00 -0.36 0.00 0.00 55.97 58.75 3dds s LYS 80 Cb -0.23 -3.07 -0.05 0.00 -1.51 0.00 0.00 37.83 32.98 3dds s LYS 80 CO 0.40 -0.61 0.24 1.03 -0.36 0.00 0.00 175.35 176.04 3dds s ARG 81 N 0.07 3.55 -0.17 4.03 0.52 -0.66 -4.49 118.95 121.80 3dds s ARG 81 Ca 0.66 -0.10 -0.03 0.00 -0.52 0.00 0.00 55.73 55.74 3dds s ARG 81 Cb -0.47 -3.11 -0.02 0.00 0.52 0.00 0.00 34.95 31.88 3dds s ARG 81 CO 0.42 0.68 -0.06 0.08 0.02 0.00 0.00 175.30 176.43 3dds s VAL 82 N -1.25 3.49 -0.25 3.52 1.01 -0.58 -0.62 120.40 125.72 3dds s VAL 82 Ca 0.25 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.73 3dds s VAL 82 Cb -0.13 -2.53 0.03 0.00 0.00 0.00 0.00 36.38 33.75 3dds s VAL 82 CO 0.14 0.48 -0.07 -0.31 0.00 0.00 0.00 175.10 175.34 3dds s TYR 83 N 0.75 3.09 -0.51 5.22 2.02 0.60 -1.29 117.35 127.23 3dds s TYR 83 Ca -0.03 -1.64 -0.18 0.00 -0.37 0.00 0.00 57.07 54.85 3dds s TYR 83 Cb -0.15 -2.05 0.07 0.00 -0.40 0.00 0.00 41.96 39.44 3dds s TYR 83 CO 0.02 -0.75 0.57 -0.47 -1.57 0.00 0.00 175.55 173.34 3dds s TYR 84 N 1.30 3.11 -0.33 2.71 5.04 -0.11 -0.95 117.35 128.12 3dds s TYR 84 Ca -0.01 -0.74 -0.13 0.00 -2.44 0.00 0.00 57.07 53.75 3dds s TYR 84 Cb -0.17 -3.52 -0.02 0.00 0.35 0.00 0.00 41.96 38.60 3dds s TYR 84 CO -0.05 -1.00 0.24 -1.17 -1.34 0.00 0.00 175.55 172.23 3dds s LEU 85 N 2.31 4.43 -0.03 6.97 2.96 -0.56 -1.25 118.68 133.51 3dds s LEU 85 Ca 0.11 -0.34 -0.07 0.00 -0.22 0.00 0.00 54.13 53.61 3dds s LEU 85 Cb -0.22 -2.15 0.01 0.00 0.50 0.00 0.00 46.19 44.33 3dds s LEU 85 CO 0.09 -0.21 0.17 -0.55 -1.32 0.00 0.00 176.35 174.53 3dds s SER 86 N 1.73 -0.09 0.13 3.68 0.15 -0.78 -2.04 113.70 116.48 3dds s SER 86 Ca 0.07 0.10 0.25 0.00 0.70 0.00 0.00 55.95 57.07 3dds s SER 86 Cb -0.17 0.29 0.94 0.00 -1.71 0.00 0.00 66.02 65.37 3dds s SER 86 CO 0.11 -0.21 1.76 0.18 1.20 0.00 0.00 173.24 176.28 3dds n LEU 87 N 2.25 0.44 -3.95 3.45 7.99 -1.26 -4.09 117.00 121.83 3dds n LEU 87 Ca -0.17 0.56 -0.18 0.00 -0.01 0.00 0.00 56.01 56.21 3dds n LEU 87 Cb 0.57 -0.45 -0.15 0.00 -0.11 0.00 0.00 43.42 43.28 3dds n LEU 87 CO 0.21 -0.21 -0.41 -1.61 -1.51 0.00 0.00 177.39 173.85 3dds s GLU 88 N -3.10 0.65 -0.23 3.23 2.02 -1.26 -4.56 118.70 115.44 3dds s GLU 88 Ca 0.10 -0.18 -0.02 0.00 0.02 0.00 0.00 54.97 54.88 3dds s GLU 88 Cb 0.13 -0.64 0.07 0.00 0.10 0.00 0.00 34.13 33.79 3dds s GLU 88 CO 0.49 0.06 0.05 -0.06 0.02 0.00 0.00 175.26 175.82 3dds s PHE 89 N 0.26 1.25 -1.15 1.61 0.08 0.05 -4.63 117.98 115.46 3dds s PHE 89 Ca -0.03 -1.14 -0.10 0.00 0.12 0.00 0.00 56.93 55.78 3dds s PHE 89 Cb -0.07 -1.23 0.25 0.00 -0.57 0.00 0.00 43.02 41.40 3dds s PHE 89 CO -0.00 -0.70 1.22 0.98 -0.10 0.00 0.00 175.22 176.62 3dds n TYR 90 N 4.98 5.19 0.09 0.36 9.36 -0.61 -3.09 117.16 133.44 3dds n TYR 90 Ca -0.07 -3.74 0.11 0.00 3.32 0.00 0.00 57.90 57.52 3dds n TYR 90 Cb 0.45 -1.86 -0.02 0.00 -0.63 0.00 0.00 39.34 37.29 3dds n TYR 90 CO 0.00 0.00 0.00 -1.33 0.22 0.00 0.00 176.86 175.75 3dds n MET 91 N 3.57 0.61 0.00 2.98 2.81 -0.82 -4.55 117.12 121.73 3dds n MET 91 Ca 0.28 0.09 0.00 0.00 -1.81 0.00 0.00 57.70 56.26 3dds n MET 91 Cb 0.40 -1.80 0.00 0.00 -0.71 0.00 0.00 33.22 31.11 3dds n MET 91 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3dds n GLY 92 N 1.19 0.68 3.88 3.03 0.00 -1.14 -4.78 105.19 108.07 3dds n GLY 92 Ca -0.01 -0.73 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 3dds n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dds s ARG 93 N 0.00 3.71 -0.03 1.61 0.52 -1.26 -1.01 118.95 122.48 3dds s ARG 93 Ca 0.00 0.38 0.08 0.00 -0.52 0.00 0.00 55.73 55.67 3dds s ARG 93 Cb 0.00 -2.40 -0.12 0.00 0.52 0.00 0.00 34.95 32.96 3dds s ARG 93 CO 0.00 -0.07 0.13 2.41 0.02 0.00 0.00 175.30 177.79 3dds n THR 94 N -1.55 0.19 0.44 0.02 -1.04 -1.26 -4.67 114.28 106.41 3dds n THR 94 Ca 0.02 -0.24 -0.19 0.00 -2.04 0.00 0.00 64.05 61.60 3dds n THR 94 Cb 0.54 -0.08 -0.09 0.00 -1.82 0.00 0.00 70.33 68.88 3dds n THR 94 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3dds h LEU 95 N 0.00 -0.94 -0.74 -4.42 5.85 -1.96 -1.10 115.31 111.99 3dds h LEU 95 Ca -0.07 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 3dds h LEU 95 Cb 0.77 0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 3dds h LEU 95 CO 0.00 -0.63 0.31 -0.61 -0.34 0.00 0.00 178.44 177.17 3dds h GLN 96 N -1.18 1.10 -0.91 1.25 4.15 -1.97 -1.48 115.11 116.07 3dds h GLN 96 Ca -0.11 -0.19 0.02 0.00 0.77 0.00 0.00 58.65 59.13 3dds h GLN 96 Cb 0.86 -0.18 -0.05 0.00 0.21 0.00 0.00 27.48 28.32 3dds h GLN 96 CO 0.19 0.89 0.60 -0.97 -1.93 0.00 0.00 178.83 177.61 3dds h ASN 97 N 1.06 1.02 -0.22 -0.69 -1.24 -1.81 -1.07 115.58 112.64 3dds h ASN 97 Ca 0.25 -0.02 -0.07 0.00 0.71 0.00 0.00 56.30 57.17 3dds h ASN 97 Cb 0.20 -0.25 -0.01 0.00 0.73 0.00 0.00 38.32 38.99 3dds h ASN 97 CO -0.02 0.72 -0.12 0.74 -1.29 0.00 0.00 177.43 177.46 3dds h THR 98 N 1.20 1.31 -0.64 -3.57 2.02 -0.82 -1.79 112.91 110.62 3dds h THR 98 Ca 0.34 -1.21 0.06 0.00 0.77 0.00 0.00 66.41 66.37 3dds h THR 98 Cb -0.09 1.64 -0.06 0.00 -1.74 0.00 0.00 68.15 67.90 3dds h THR 98 CO -0.09 0.37 0.34 0.24 0.37 0.00 0.00 175.52 176.75 3dds h MET 99 N 0.17 0.60 -0.07 6.66 2.86 -1.01 -1.29 114.93 122.84 3dds h MET 99 Ca 0.05 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 3dds h MET 99 Cb 0.63 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.15 3dds h MET 99 CO 0.04 0.40 0.02 0.82 1.06 0.00 0.00 176.91 179.24 3dds h ILE 100 N 0.62 1.18 0.00 -1.22 2.04 -1.13 0.21 117.51 119.21 3dds h ILE 100 Ca 0.29 -0.56 -0.05 0.00 1.00 0.00 0.00 64.86 65.54 3dds h ILE 100 Cb 0.22 1.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 3dds h ILE 100 CO -0.20 0.16 -0.23 0.78 0.00 0.00 0.00 178.15 178.66 3dds h ASN 101 N -0.08 0.00 0.14 1.72 4.21 -1.07 -1.94 115.58 118.55 3dds h ASN 101 Ca 0.02 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.53 3dds h ASN 101 Cb 0.23 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.43 3dds h ASN 101 CO -0.00 0.23 -0.24 0.18 -1.29 0.00 0.00 177.43 176.31 3dds n LEU 102 N -3.84 1.35 -0.59 1.61 4.77 -0.51 -0.70 117.00 119.10 3dds n LEU 102 Ca -0.02 -0.41 -0.06 0.00 -0.03 0.00 0.00 56.01 55.49 3dds n LEU 102 Cb 0.33 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.33 3dds n LEU 102 CO 0.34 0.25 -0.07 0.61 -1.33 0.00 0.00 177.39 177.19 3dds n GLY 103 N 1.33 0.40 0.53 -0.72 0.00 -0.63 -4.95 105.19 101.14 3dds n GLY 103 Ca 0.13 -0.70 0.08 0.00 0.00 0.00 0.00 46.02 45.53 3dds n GLY 103 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dds n LEU 104 N -0.78 2.03 0.03 0.99 4.77 0.65 -4.73 117.00 119.96 3dds n LEU 104 Ca -0.07 -0.89 -0.12 0.00 -0.03 0.00 0.00 56.01 54.90 3dds n LEU 104 Cb 0.42 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.43 3dds n LEU 104 CO 0.08 0.37 0.86 -0.61 -1.33 0.00 0.00 177.39 176.76 3dds h GLN 105 N 2.58 0.01 -0.62 3.23 4.15 -1.88 -0.22 115.11 122.35 3dds h GLN 105 Ca 0.00 -0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 3dds h GLN 105 Cb 0.62 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.28 3dds h GLN 105 CO 0.00 0.04 0.32 -0.91 -1.93 0.00 0.00 178.83 176.35 3dds h ASN 106 N -0.03 0.80 -0.38 -0.69 4.21 -1.92 -0.81 115.58 116.77 3dds h ASN 106 Ca 0.00 -0.12 -0.13 0.00 1.21 0.00 0.00 56.30 57.27 3dds h ASN 106 Cb 0.03 -0.20 -0.01 0.00 -1.12 0.00 0.00 38.32 37.02 3dds h ASN 106 CO -0.00 0.69 -0.24 0.00 -1.29 0.00 0.00 177.43 176.59 3dds h ALA 107 N 1.14 0.76 -0.55 -0.83 0.00 -1.82 -2.39 119.26 115.57 3dds h ALA 107 Ca 0.22 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 3dds h ALA 107 Cb 0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3dds h ALA 107 CO -0.03 0.66 0.08 0.00 0.00 0.00 0.00 179.25 179.96 3dds h ASP 109 N 0.80 0.39 -0.33 0.00 1.82 -1.02 -0.68 116.42 117.41 3dds h ASP 109 Ca 0.17 0.03 -0.07 0.00 -0.39 0.00 0.00 57.03 56.76 3dds h ASP 109 Cb 0.42 -0.05 -0.01 0.00 0.68 0.00 0.00 39.33 40.37 3dds h ASP 109 CO 0.01 0.27 -0.08 -0.08 -1.61 0.00 0.00 179.24 177.75 3dds h GLU 110 N 0.53 0.64 -0.27 0.28 4.57 -1.31 -0.35 114.58 118.67 3dds h GLU 110 Ca 0.23 -0.25 0.03 0.00 -1.18 0.00 0.00 59.36 58.19 3dds h GLU 110 Cb 0.13 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.66 3dds h GLU 110 CO -0.16 0.82 0.11 0.00 -1.18 0.00 0.00 179.01 178.60 3dds h ALA 111 N 0.81 0.32 -0.53 2.92 0.00 -0.86 -0.33 119.26 121.59 3dds h ALA 111 Ca 0.08 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3dds h ALA 111 Cb 0.58 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3dds h ALA 111 CO 0.03 -0.29 0.06 0.82 0.00 0.00 0.00 179.25 179.86 3dds h ILE 112 N 0.24 1.26 -0.60 0.00 1.08 -1.08 -1.96 117.51 116.44 3dds h ILE 112 Ca 0.12 -1.01 0.06 0.00 -0.39 0.00 0.00 64.86 63.65 3dds h ILE 112 Cb 0.07 0.87 -0.06 0.00 -3.07 0.00 0.00 36.82 34.64 3dds h ILE 112 CO -0.11 0.36 0.29 0.22 -0.69 0.00 0.00 178.15 178.23 3dds h TYR 113 N 0.78 0.53 0.00 1.37 3.20 -0.83 -1.75 116.97 120.27 3dds h TYR 113 Ca 0.16 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.02 3dds h TYR 113 Cb 0.45 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.56 3dds h TYR 113 CO 0.03 0.23 -0.15 1.96 -1.64 0.00 0.00 178.16 178.59 3dds h GLN 114 N 0.55 0.00 -0.04 1.82 4.20 -0.65 -1.01 115.11 119.98 3dds h GLN 114 Ca 0.28 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.99 3dds h GLN 114 Cb 0.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.00 3dds h GLN 114 CO -0.21 0.15 0.00 1.28 -0.67 0.00 0.00 178.83 179.38 3dds n LEU 115 N -3.56 0.53 0.00 1.46 4.77 -0.77 -4.90 117.00 114.52 3dds n LEU 115 Ca -0.01 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 3dds n LEU 115 Cb 0.29 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 3dds n LEU 115 CO 0.31 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 3dds n GLY 116 N 0.96 0.70 3.66 -0.72 0.00 -0.38 -5.06 105.19 104.36 3dds n GLY 116 Ca 0.18 -0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 3dds n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dds s LEU 117 N 0.00 2.76 -0.22 0.99 1.43 -0.73 -5.01 118.68 117.89 3dds s LEU 117 Ca 0.00 -1.42 0.02 0.00 -1.03 0.00 0.00 54.13 51.70 3dds s LEU 117 Cb 0.00 -0.89 0.04 0.00 0.03 0.00 0.00 46.19 45.37 3dds s LEU 117 CO 0.00 -0.55 -0.13 -0.62 0.23 0.00 0.00 176.35 175.28 3dds s ASP 118 N -3.77 3.77 0.52 2.29 -1.08 -1.26 -3.35 116.67 113.80 3dds s ASP 118 Ca 0.29 -1.05 0.19 0.00 -0.52 0.00 0.00 52.55 51.45 3dds s ASP 118 Cb 0.08 -1.41 1.31 0.00 -1.46 0.00 0.00 42.92 41.43 3dds s ASP 118 CO 0.15 -0.13 2.11 -0.29 0.52 0.00 0.00 175.17 177.52 3dds h ILE 119 N 6.45 0.93 -0.33 4.11 2.10 -1.90 -1.44 117.51 127.43 3dds h ILE 119 Ca -0.28 0.00 -0.11 0.00 1.08 0.00 0.00 64.86 65.55 3dds h ILE 119 Cb 1.08 0.93 -0.01 0.00 -1.09 0.00 0.00 36.82 37.73 3dds h ILE 119 CO 0.51 0.00 -0.25 -0.33 -1.08 0.00 0.00 178.15 177.00 3dds h GLU 120 N 0.00 0.65 -0.49 2.19 5.08 -1.99 0.18 114.58 120.20 3dds h GLU 120 Ca 0.07 -0.26 -0.04 0.00 -1.00 0.00 0.00 59.36 58.13 3dds h GLU 120 Cb 0.28 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 3dds h GLU 120 CO -0.00 0.83 0.17 1.49 -1.00 0.00 0.00 179.01 180.50 3dds h GLU 121 N 0.57 0.76 -0.74 2.33 4.81 -1.71 -2.65 114.58 117.95 3dds h GLU 121 Ca 0.08 -0.16 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 3dds h GLU 121 Cb 0.72 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.95 3dds h GLU 121 CO 0.06 0.70 0.33 -0.07 -0.73 0.00 0.00 179.01 179.30 3dds h LEU 122 N 0.66 0.98 -1.48 1.64 3.38 -1.16 -2.84 115.31 116.50 3dds h LEU 122 Ca 0.16 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 58.01 3dds h LEU 122 Cb 0.25 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3dds h LEU 122 CO -0.01 0.86 0.39 -0.33 0.09 0.00 0.00 178.44 179.44 3dds h GLU 123 N 1.04 0.66 0.00 1.13 5.08 -0.80 -2.08 114.58 119.61 3dds h GLU 123 Ca 0.25 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3dds h GLU 123 Cb 0.16 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3dds h GLU 123 CO -0.03 0.44 0.00 0.39 -1.00 0.00 0.00 179.01 178.81 3dds n GLU 124 N -4.47 0.10 0.10 2.33 -0.58 -1.01 -2.64 120.64 114.47 3dds n GLU 124 Ca 0.07 0.31 -0.03 0.00 -0.42 0.00 0.00 57.16 57.09 3dds n GLU 124 Cb 0.13 -1.67 0.18 0.00 -0.57 0.00 0.00 31.44 29.51 3dds n GLU 124 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 3dds h ILE 125 N 0.00 1.35 -3.09 -3.67 1.08 -1.43 -3.46 117.51 108.29 3dds h ILE 125 Ca 0.00 -1.76 -0.53 0.00 -0.39 0.00 0.00 64.86 62.18 3dds h ILE 125 Cb 0.33 1.86 0.03 0.00 -3.07 0.00 0.00 36.82 35.98 3dds h ILE 125 CO 0.00 0.52 0.75 -0.70 -0.69 0.00 0.00 178.15 178.03 3dds s GLU 126 N -3.94 4.30 0.34 2.37 2.12 -1.08 -5.00 118.70 117.82 3dds s GLU 126 Ca -0.04 2.16 -0.27 0.00 0.36 0.00 0.00 54.97 57.19 3dds s GLU 126 Cb 0.13 -3.20 -0.09 0.00 0.26 0.00 0.00 34.13 31.23 3dds s GLU 126 CO 0.78 -0.44 1.07 -1.21 -0.54 0.00 0.00 175.26 174.92 3dds s GLU 127 N 0.67 4.42 0.36 4.30 0.41 -1.26 -4.97 118.70 122.63 3dds s GLU 127 Ca 0.63 1.65 -0.28 0.00 -0.41 0.00 0.00 54.97 56.56 3dds s GLU 127 Cb -0.39 -2.88 -0.11 0.00 -1.78 0.00 0.00 34.13 28.98 3dds s GLU 127 CO 0.34 0.05 1.42 -0.51 -0.49 0.00 0.00 175.26 176.07 3dds s ASP 128 N -1.23 6.48 -1.14 -0.19 1.11 -1.26 -4.62 116.67 115.82 3dds s ASP 128 Ca 0.51 2.92 -0.20 0.00 0.18 0.00 0.00 52.55 55.96 3dds s ASP 128 Cb -0.27 -2.66 0.08 0.00 1.07 0.00 0.00 42.92 41.14 3dds s ASP 128 CO 0.34 -0.77 1.53 0.00 1.18 0.00 0.00 175.17 177.45 3dds s ALA 129 N -1.13 3.13 -1.06 5.23 0.00 -0.18 -4.89 121.76 122.86 3dds s ALA 129 Ca 0.52 -2.67 -0.05 0.00 0.00 0.00 0.00 51.96 49.75 3dds s ALA 129 Cb -0.44 -4.49 0.07 0.00 0.00 0.00 0.00 23.12 18.27 3dds s ALA 129 CO 0.59 -3.35 2.58 0.41 0.00 0.00 0.00 175.76 175.99 3dds n GLY 130 N 5.91 4.84 2.28 0.00 0.00 -1.26 -1.95 105.19 115.00 3dds n GLY 130 Ca 0.39 -1.94 -0.26 0.00 0.00 0.00 0.00 46.02 44.21 3dds n GLY 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dds n LEU 131 N 1.64 6.85 -3.81 0.99 4.77 -1.18 -0.99 117.00 125.27 3dds n LEU 131 Ca 0.59 -3.90 -0.05 0.00 -0.03 0.00 0.00 56.01 52.61 3dds n LEU 131 Cb 0.35 -1.10 -0.02 0.00 -2.33 0.00 0.00 43.42 40.33 3dds n LEU 131 CO 0.58 1.49 0.59 -0.83 -1.33 0.00 0.00 177.39 177.88 3dds s GLY 132 N -0.32 -0.14 -0.21 -0.72 0.00 -1.26 -0.77 107.32 103.89 3dds s GLY 132 Ca 0.49 -0.13 0.08 0.00 0.00 0.00 0.00 44.72 45.16 3dds s GLY 132 CO -0.12 -0.03 -0.09 0.70 0.00 0.00 0.00 173.10 173.56 3dds n ASN 133 N -0.49 1.50 0.00 1.64 3.02 -1.26 -4.45 115.26 115.23 3dds n ASN 133 Ca -0.05 -0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.43 3dds n ASN 133 Cb 0.60 0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.95 3dds n ASN 133 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dds n GLY 134 N 2.18 0.47 0.29 7.41 0.00 -1.26 -4.90 105.19 109.37 3dds n GLY 134 Ca -0.36 0.31 -0.02 0.00 0.00 0.00 0.00 46.02 45.94 3dds n GLY 134 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3dds h GLY 135 N 0.00 1.09 0.94 -0.02 0.00 -1.99 -0.98 103.07 102.11 3dds h GLY 135 Ca 0.00 -0.35 -0.00 0.00 0.00 0.00 0.00 47.33 46.98 3dds h GLY 135 CO 0.00 0.28 0.11 -2.00 0.00 0.00 0.00 176.54 174.92 3dds h LEU 136 N 0.89 0.24 -0.69 3.11 6.46 -1.99 0.76 115.31 124.10 3dds h LEU 136 Ca 0.31 -0.09 -0.14 0.00 -0.12 0.00 0.00 57.88 57.84 3dds h LEU 136 Cb 0.06 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 39.91 3dds h LEU 136 CO -0.13 0.26 -0.51 1.23 -0.62 0.00 0.00 178.44 178.67 3dds h GLY 137 N 0.21 0.42 1.85 3.75 0.00 -1.76 -3.01 103.07 104.52 3dds h GLY 137 Ca 0.07 -0.46 -0.14 0.00 0.00 0.00 0.00 47.33 46.80 3dds h GLY 137 CO -0.01 0.41 -0.60 -0.09 0.00 0.00 0.00 176.54 176.25 3dds h ARG 138 N 0.30 0.15 -0.49 4.80 9.65 -0.93 -1.57 114.38 126.29 3dds h ARG 138 Ca 0.01 -0.10 0.00 0.00 -1.10 0.00 0.00 59.98 58.79 3dds h ARG 138 Cb 1.00 0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.57 3dds h ARG 138 CO 0.09 0.71 0.31 1.25 2.80 0.00 0.00 179.97 185.12 3dds h LEU 139 N 0.11 0.58 -0.75 3.80 5.85 -0.76 -0.88 115.31 123.27 3dds h LEU 139 Ca -0.01 -0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.75 3dds h LEU 139 Cb 1.09 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.91 3dds h LEU 139 CO 0.09 0.45 0.42 0.00 -0.34 0.00 0.00 178.44 179.06 3dds h ALA 140 N 1.16 1.03 -0.18 1.25 0.00 -1.43 -0.05 119.26 121.05 3dds h ALA 140 Ca 0.18 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3dds h ALA 140 Cb -0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3dds h ALA 140 CO -0.04 0.08 0.04 0.00 0.00 0.00 0.00 179.25 179.33 3dds h ALA 141 N 1.40 0.23 -0.74 0.00 0.00 -1.18 -1.69 119.26 117.28 3dds h ALA 141 Ca 0.35 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.12 3dds h ALA 141 Cb 0.27 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3dds h ALA 141 CO -0.22 -0.13 0.49 0.00 0.00 0.00 0.00 179.25 179.39 3dds h PHE 143 N 0.99 0.98 -0.59 0.00 -1.00 -0.81 -0.91 116.94 115.60 3dds h PHE 143 Ca 0.28 0.02 0.01 0.00 2.81 0.00 0.00 57.97 61.09 3dds h PHE 143 Cb -0.09 -0.33 -0.03 0.00 3.61 0.00 0.00 35.95 39.11 3dds h PHE 143 CO -0.02 0.61 0.39 -0.07 -1.61 0.00 0.00 178.31 177.60 3dds h LEU 144 N 1.05 0.67 -0.46 1.54 3.38 -1.00 0.20 115.31 120.69 3dds h LEU 144 Ca 0.29 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.23 3dds h LEU 144 Cb -0.11 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 3dds h LEU 144 CO -0.07 0.48 0.22 -0.78 0.09 0.00 0.00 178.44 178.38 3dds h ASP 145 N 0.79 0.60 -0.25 -0.43 3.58 -1.19 -2.04 116.42 117.47 3dds h ASP 145 Ca 0.22 -0.13 -0.02 0.00 0.42 0.00 0.00 57.03 57.51 3dds h ASP 145 Cb -0.08 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 40.80 3dds h ASP 145 CO -0.05 0.56 0.06 0.28 -2.88 0.00 0.00 179.24 177.21 3dds h SER 146 N 0.59 0.38 -0.84 2.28 0.02 -0.84 -1.25 113.55 113.90 3dds h SER 146 Ca 0.16 -0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 3dds h SER 146 Cb 0.12 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.52 3dds h SER 146 CO -0.02 0.52 0.47 0.24 -1.14 0.00 0.00 176.83 176.90 3dds h MET 147 N 0.24 1.17 -0.44 3.45 2.86 -0.55 -0.47 114.93 121.19 3dds h MET 147 Ca 0.08 -0.13 -0.10 0.00 -2.06 0.00 0.00 59.70 57.49 3dds h MET 147 Cb 0.28 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 3dds h MET 147 CO 0.00 0.85 -0.14 0.00 1.06 0.00 0.00 176.91 178.68 3dds h ALA 148 N 1.34 0.61 -0.14 6.32 0.00 -1.28 -1.25 119.26 124.86 3dds h ALA 148 Ca 0.30 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3dds h ALA 148 Cb 0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3dds h ALA 148 CO -0.05 0.52 -0.16 1.15 0.00 0.00 0.00 179.25 180.71 3dds h THR 149 N 0.69 1.19 -0.03 0.00 2.02 -0.76 -2.27 112.91 113.75 3dds h THR 149 Ca 0.11 -0.84 0.00 0.00 0.77 0.00 0.00 66.41 66.45 3dds h THR 149 Cb 0.68 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 68.35 3dds h THR 149 CO 0.05 0.26 0.00 0.18 0.37 0.00 0.00 175.52 176.38 3dds n LEU 150 N -4.25 1.58 -0.64 2.58 4.77 -0.23 -4.78 117.00 116.03 3dds n LEU 150 Ca -0.01 -0.54 -0.07 0.00 -0.03 0.00 0.00 56.01 55.36 3dds n LEU 150 Cb 0.29 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.34 3dds n LEU 150 CO 0.38 0.27 -0.08 0.61 -1.33 0.00 0.00 177.39 177.25 3dds n GLY 151 N 1.18 0.66 3.79 -0.72 0.00 -0.85 -0.02 105.19 109.22 3dds n GLY 151 Ca 0.19 -0.68 -0.36 0.00 0.00 0.00 0.00 46.02 45.17 3dds n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dds s LEU 152 N -1.79 4.17 -1.40 0.99 1.43 -0.53 -4.12 118.68 117.43 3dds s LEU 152 Ca 0.00 1.93 -0.14 0.00 -1.03 0.00 0.00 54.13 54.89 3dds s LEU 152 Cb 0.00 -4.18 0.07 0.00 0.03 0.00 0.00 46.19 42.11 3dds s LEU 152 CO 0.00 -0.35 2.07 0.00 0.23 0.00 0.00 176.35 178.31 3dds n ALA 153 N 0.04 5.13 -2.81 4.21 0.00 -1.26 -4.67 120.51 121.15 3dds n ALA 153 Ca 0.04 -3.94 -0.32 0.00 0.00 0.00 0.00 53.44 49.22 3dds n ALA 153 Cb 0.50 -3.46 -0.15 0.00 0.00 0.00 0.00 19.45 16.34 3dds n ALA 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dds s ALA 154 N 2.96 2.37 0.01 0.00 0.00 -1.26 -1.53 121.76 124.30 3dds s ALA 154 Ca 0.47 -0.99 0.08 0.00 0.00 0.00 0.00 51.96 51.52 3dds s ALA 154 Cb 0.11 -0.87 -0.03 0.00 0.00 0.00 0.00 23.12 22.34 3dds s ALA 154 CO -0.05 0.39 -0.24 0.71 0.00 0.00 0.00 175.76 176.58 3dds s TYR 155 N -0.11 2.39 -0.04 0.00 2.02 -0.42 -4.07 117.35 117.13 3dds s TYR 155 Ca -0.04 -0.38 -0.17 0.00 -0.37 0.00 0.00 57.07 56.11 3dds s TYR 155 Cb -0.14 -1.47 -0.05 0.00 -0.40 0.00 0.00 41.96 39.90 3dds s TYR 155 CO 0.04 0.08 0.47 0.20 -1.57 0.00 0.00 175.55 174.77 3dds s GLY 156 N -0.95 2.48 -0.13 0.71 0.00 -0.72 -0.93 107.32 107.79 3dds s GLY 156 Ca 0.11 -0.15 0.02 0.00 0.00 0.00 0.00 44.72 44.70 3dds s GLY 156 CO 0.01 0.48 -0.18 -0.19 0.00 0.00 0.00 173.10 173.22 3dds s TYR 157 N -0.35 2.30 0.00 1.90 2.02 -0.38 -0.49 117.35 122.35 3dds s TYR 157 Ca 0.26 -1.14 0.00 0.00 -0.37 0.00 0.00 57.07 55.82 3dds s TYR 157 Cb -0.17 -1.61 0.00 0.00 -0.40 0.00 0.00 41.96 39.78 3dds s TYR 157 CO 0.13 -0.55 0.00 0.41 -1.57 0.00 0.00 175.55 173.97 3dds n GLY 158 N 4.19 3.81 3.50 0.71 0.00 -0.97 -1.87 105.19 114.56 3dds n GLY 158 Ca -0.19 -0.95 -0.33 0.00 0.00 0.00 0.00 46.02 44.54 3dds n GLY 158 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dds s ILE 159 N -2.04 3.48 -1.09 -0.61 1.01 -1.26 -0.88 121.20 119.81 3dds s ILE 159 Ca 0.00 -0.54 -0.17 0.00 0.00 0.00 0.00 60.65 59.94 3dds s ILE 159 Cb 0.00 -2.44 0.13 0.00 0.01 0.00 0.00 42.46 40.16 3dds s ILE 159 CO 0.00 0.56 1.36 -0.60 0.00 0.00 0.00 174.94 176.26 3dds s ARG 160 N -0.35 3.83 0.21 2.79 3.52 0.44 -4.73 118.95 124.65 3dds s ARG 160 Ca 0.05 -2.03 -0.31 0.00 -0.13 0.00 0.00 55.73 53.31 3dds s ARG 160 Cb -0.12 -5.10 -0.10 0.00 -1.56 0.00 0.00 34.95 28.07 3dds s ARG 160 CO 0.02 -1.88 1.45 0.71 -0.81 0.00 0.00 175.30 174.80 3dds s TYR 161 N 2.71 3.08 0.31 5.12 2.02 -1.26 -4.71 117.35 124.63 3dds s TYR 161 Ca 0.41 0.94 0.06 0.00 -0.37 0.00 0.00 57.07 58.10 3dds s TYR 161 Cb -0.02 -3.81 0.52 0.00 -0.40 0.00 0.00 41.96 38.25 3dds s TYR 161 CO -0.04 -2.74 1.76 1.49 -1.57 0.00 0.00 175.55 174.45 3dds h GLU 162 N 5.70 0.32 -4.74 -0.62 4.81 -0.84 -3.40 114.58 115.81 3dds h GLU 162 Ca -0.45 -0.12 -0.61 0.00 -0.13 0.00 0.00 59.36 58.06 3dds h GLU 162 Cb 1.21 -0.02 -0.35 0.00 0.63 0.00 0.00 28.75 30.22 3dds h GLU 162 CO 0.82 0.58 -0.84 0.71 -0.73 0.00 0.00 179.01 179.56 3dds s TYR 163 N -4.41 2.18 0.00 0.92 2.02 0.22 -4.32 117.35 113.94 3dds s TYR 163 Ca -0.06 -1.16 0.00 0.00 -0.37 0.00 0.00 57.07 55.48 3dds s TYR 163 Cb 0.14 -1.58 0.00 0.00 -0.40 0.00 0.00 41.96 40.12 3dds s TYR 163 CO 0.77 -0.62 0.00 0.41 -1.57 0.00 0.00 175.55 174.54 3dds n GLY 164 N 4.55 0.30 3.73 0.71 0.00 -1.23 -1.93 105.19 111.32 3dds n GLY 164 Ca -0.18 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 43.81 3dds n GLY 164 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3dds s ILE 165 N 0.30 2.39 0.54 -0.61 1.10 -0.16 -4.50 121.20 120.26 3dds s ILE 165 Ca 0.00 0.30 -0.20 0.00 -0.51 0.00 0.00 60.65 60.24 3dds s ILE 165 Cb 0.00 -3.19 -0.07 0.00 0.15 0.00 0.00 42.46 39.34 3dds s ILE 165 CO 0.00 0.03 0.86 2.22 -2.11 0.00 0.00 174.94 175.94 3dds n PHE 166 N 3.34 0.52 -2.39 3.50 -1.74 -1.26 -4.65 117.46 114.77 3dds n PHE 166 Ca 0.12 0.47 -0.42 0.00 -0.56 0.00 0.00 57.45 57.06 3dds n PHE 166 Cb 0.38 -2.11 -0.03 0.00 1.52 0.00 0.00 39.48 39.23 3dds n PHE 166 CO 0.00 0.00 0.00 -0.80 -0.56 0.00 0.00 176.76 175.40 3dds s ASN 167 N -1.08 7.05 -0.24 5.98 0.01 -0.23 -4.89 114.94 121.54 3dds s ASN 167 Ca 0.70 2.06 -0.14 0.00 -0.71 0.00 0.00 52.86 54.77 3dds s ASN 167 Cb -0.47 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 38.57 3dds s ASN 167 CO 0.52 -0.48 0.32 -1.58 -1.51 0.00 0.00 177.10 174.37 3dds s GLN 168 N 1.00 4.08 0.25 -0.60 0.74 -1.26 -0.97 119.66 122.88 3dds s GLN 168 Ca 0.59 0.00 0.08 0.00 0.05 0.00 0.00 55.36 56.08 3dds s GLN 168 Cb -0.30 -3.59 -0.04 0.00 1.10 0.00 0.00 33.01 30.18 3dds s GLN 168 CO 0.30 -0.12 0.11 0.15 -0.55 0.00 0.00 175.29 175.18 3dds s LYS 169 N 1.58 2.67 -0.20 1.67 -0.14 -0.32 -3.83 119.74 121.17 3dds s LYS 169 Ca 0.14 -1.18 -0.02 0.00 -1.36 0.00 0.00 55.97 53.55 3dds s LYS 169 Cb -0.15 -2.41 0.00 0.00 -1.68 0.00 0.00 37.83 33.59 3dds s LYS 169 CO 0.08 0.40 -0.10 0.42 -0.76 0.00 0.00 175.35 175.39 3dds s ILE 170 N -2.15 2.93 -0.15 2.17 -1.09 -1.26 -0.83 121.20 120.82 3dds s ILE 170 Ca 0.32 -0.65 0.01 0.00 -2.23 0.00 0.00 60.65 58.10 3dds s ILE 170 Cb -0.08 -2.30 0.02 0.00 -1.58 0.00 0.00 42.46 38.53 3dds s ILE 170 CO 0.23 0.47 -0.15 -0.13 -1.23 0.00 0.00 174.94 174.12 3dds s ARG 171 N 1.34 2.39 -1.57 2.79 3.00 0.36 -4.69 118.95 122.58 3dds s ARG 171 Ca 0.04 -0.60 -0.14 0.00 0.00 0.00 0.00 55.73 55.04 3dds s ARG 171 Cb -0.14 -2.15 0.10 0.00 0.00 0.00 0.00 34.95 32.76 3dds s ARG 171 CO -0.06 -0.21 0.87 -0.25 0.00 0.00 0.00 175.30 175.65 3dds n ASP 172 N 4.69 -3.85 0.00 0.23 8.00 -1.26 -1.40 116.55 122.96 3dds n ASP 172 Ca -0.18 -0.87 0.00 0.00 0.71 0.00 0.00 54.79 54.45 3dds n ASP 172 Cb 0.50 -3.48 0.00 0.00 -0.02 0.00 0.00 41.12 38.13 3dds n ASP 172 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dds n GLY 173 N -1.61 1.23 3.68 0.44 0.00 -1.26 -5.02 105.19 102.64 3dds n GLY 173 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 3dds n GLY 173 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3dds s TRP 174 N -3.82 3.02 0.22 1.61 0.52 -0.49 -3.98 118.94 116.02 3dds s TRP 174 Ca 0.00 0.02 -0.31 0.00 0.02 0.00 0.00 56.10 55.83 3dds s TRP 174 Cb 0.00 -1.60 -0.10 0.00 -1.15 0.00 0.00 33.47 30.62 3dds s TRP 174 CO 0.00 0.46 1.52 -1.14 0.02 0.00 0.00 176.95 177.82 3dds s GLN 175 N -1.92 4.22 0.07 4.98 0.74 -1.26 -0.49 119.66 126.00 3dds s GLN 175 Ca 0.22 2.38 0.07 0.00 0.05 0.00 0.00 55.36 58.08 3dds s GLN 175 Cb -0.12 -3.11 -0.03 0.00 1.10 0.00 0.00 33.01 30.86 3dds s GLN 175 CO 0.14 -0.54 -0.18 0.14 -0.55 0.00 0.00 175.29 174.30 3dds s VAL 176 N 0.45 1.48 -0.13 1.34 -7.23 -0.01 -4.87 120.40 111.43 3dds s VAL 176 Ca 0.64 -1.28 -0.05 0.00 -1.81 0.00 0.00 61.98 59.48 3dds s VAL 176 Cb -0.44 -1.33 -0.04 0.00 0.56 0.00 0.00 36.38 35.13 3dds s VAL 176 CO 0.39 0.02 0.06 -1.61 -0.31 0.00 0.00 175.10 173.65 3dds s GLU 177 N -1.48 3.48 0.05 4.82 8.01 -1.26 -1.17 118.70 131.15 3dds s GLU 177 Ca 0.04 -0.31 0.08 0.00 0.01 0.00 0.00 54.97 54.80 3dds s GLU 177 Cb -0.09 -3.05 -0.03 0.00 -4.31 0.00 0.00 34.13 26.65 3dds s GLU 177 CO 0.03 0.56 -0.23 -1.21 0.01 0.00 0.00 175.26 174.41 3dds s GLU 178 N -0.45 1.55 0.25 1.61 2.02 -0.15 -4.98 118.70 118.55 3dds s GLU 178 Ca 0.10 -1.04 -0.31 0.00 0.02 0.00 0.00 54.97 53.74 3dds s GLU 178 Cb -0.12 -1.72 -0.12 0.00 0.10 0.00 0.00 34.13 32.27 3dds s GLU 178 CO 0.02 0.44 1.65 0.00 0.02 0.00 0.00 175.26 177.39 3dds n ALA 179 N 1.74 2.64 -2.76 5.21 0.00 -1.26 -1.07 120.51 125.01 3dds n ALA 179 Ca -0.17 0.39 -0.43 0.00 0.00 0.00 0.00 53.44 53.22 3dds n ALA 179 Cb 0.53 -2.49 -0.01 0.00 0.00 0.00 0.00 19.45 17.48 3dds n ALA 179 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3dds s ASP 180 N 0.82 6.88 -1.50 0.00 2.15 -1.26 -4.66 116.67 119.10 3dds s ASP 180 Ca 0.70 -2.53 -0.08 0.00 0.43 0.00 0.00 52.55 51.06 3dds s ASP 180 Cb -0.51 -2.49 -0.00 0.00 -0.30 0.00 0.00 42.92 39.63 3dds s ASP 180 CO 0.41 -1.02 2.71 -0.67 -0.17 0.00 0.00 175.17 176.43 3dds n ASP 181 N 7.14 8.35 0.17 -0.34 2.03 -1.26 -3.51 116.55 129.13 3dds n ASP 181 Ca 0.40 -2.81 0.13 0.00 0.52 0.00 0.00 54.79 53.03 3dds n ASP 181 Cb 0.45 -1.48 0.56 0.00 -0.72 0.00 0.00 41.12 39.93 3dds n ASP 181 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 3dds h TRP 182 N 4.87 0.00 -0.56 -0.67 5.08 -1.91 -2.72 115.95 120.05 3dds h TRP 182 Ca 0.80 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.77 3dds h TRP 182 Cb 0.30 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.46 3dds h TRP 182 CO 1.76 0.00 0.00 1.28 -1.28 0.00 0.00 178.44 180.20 3dds n LEU 183 N -2.43 3.56 -0.20 0.11 4.77 -1.26 -4.65 117.00 116.91 3dds n LEU 183 Ca 0.01 -1.87 0.01 0.00 -0.03 0.00 0.00 56.01 54.13 3dds n LEU 183 Cb 0.22 -0.37 0.11 0.00 -2.33 0.00 0.00 43.42 41.05 3dds n LEU 183 CO 0.20 0.86 0.88 -0.09 -1.33 0.00 0.00 177.39 177.92 3dds h ARG 184 N 3.73 0.18 -0.54 3.23 2.43 -1.87 -1.29 114.38 120.25 3dds h ARG 184 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3dds h ARG 184 Cb 0.91 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.42 3dds h ARG 184 CO 0.00 0.12 0.00 0.66 -1.51 0.00 0.00 179.97 179.24 3dds n TYR 185 N -5.20 0.72 0.00 2.20 4.01 -1.26 -5.06 117.16 112.57 3dds n TYR 185 Ca 0.09 -0.36 0.00 0.00 -0.16 0.00 0.00 57.90 57.47 3dds n TYR 185 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.37 3dds n TYR 185 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3dds n GLY 186 N 1.44 0.24 2.67 2.72 0.00 -0.49 -4.97 105.19 106.81 3dds n GLY 186 Ca 0.20 -1.96 -0.28 0.00 0.00 0.00 0.00 46.02 43.98 3dds n GLY 186 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3dds s ASN 187 N -0.66 3.12 0.00 1.61 2.47 -1.26 -4.74 114.94 115.48 3dds s ASN 187 Ca 0.00 -1.02 0.24 0.00 0.42 0.00 0.00 52.86 52.50 3dds s ASN 187 Cb 0.00 -0.52 1.13 0.00 -1.45 0.00 0.00 41.25 40.40 3dds s ASN 187 CO 0.00 -0.36 1.78 -0.81 -3.72 0.00 0.00 177.10 173.99 3dds n PRO 188 N 5.10 0.19 -0.71 0.43 -0.04 -1.26 -3.12 135.00 135.59 3dds n PRO 188 Ca -0.07 0.07 0.08 0.00 -0.04 0.00 0.00 63.50 63.55 3dds n PRO 188 Cb 0.46 -1.50 0.37 0.00 -0.04 0.00 0.00 33.50 32.78 3dds n PRO 188 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3dds n TRP 189 N -1.38 1.68 -4.23 0.54 7.02 -1.26 -4.89 117.44 114.91 3dds n TRP 189 Ca 0.09 -0.68 -0.17 0.00 -1.02 0.00 0.00 57.50 55.73 3dds n TRP 189 Cb 0.23 -0.35 -0.11 0.00 -2.42 0.00 0.00 31.31 28.66 3dds n TRP 189 CO 0.00 0.00 0.00 -1.83 -2.02 0.00 0.00 177.69 173.84 3dds s GLU 190 N -2.27 1.00 -0.15 -0.99 -1.05 -1.18 -4.21 118.70 109.85 3dds s GLU 190 Ca 0.52 -1.27 0.00 0.00 -0.15 0.00 0.00 54.97 54.07 3dds s GLU 190 Cb 0.36 -0.79 0.03 0.00 -0.44 0.00 0.00 34.13 33.30 3dds s GLU 190 CO 0.20 0.14 -0.11 0.21 0.95 0.00 0.00 175.26 176.65 3dds s LYS 191 N -2.90 1.96 0.24 -4.83 2.47 0.53 -4.91 119.74 112.29 3dds s LYS 191 Ca 0.10 -0.54 -0.30 0.00 -1.56 0.00 0.00 55.97 53.67 3dds s LYS 191 Cb -0.03 -2.04 -0.09 0.00 -1.46 0.00 0.00 37.83 34.21 3dds s LYS 191 CO 0.02 -0.31 1.32 0.45 0.16 0.00 0.00 175.35 177.00 3dds s SER 192 N 1.54 6.85 -0.46 1.43 0.15 -1.26 -0.86 113.70 121.08 3dds s SER 192 Ca 0.03 2.50 0.08 0.00 0.70 0.00 0.00 55.95 59.26 3dds s SER 192 Cb -0.14 -2.62 0.30 0.00 -1.71 0.00 0.00 66.02 61.85 3dds s SER 192 CO -0.09 -0.54 0.71 0.54 1.20 0.00 0.00 173.24 175.06 3dds n ARG 193 N 2.17 1.60 0.30 5.44 1.74 -0.17 -4.94 116.66 122.80 3dds n ARG 193 Ca 0.05 -3.84 0.17 0.00 -0.77 0.00 0.00 57.85 53.45 3dds n ARG 193 Cb 0.42 -1.75 0.93 0.00 -1.02 0.00 0.00 32.46 31.04 3dds n ARG 193 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3dds h PRO 194 N 3.51 0.00 0.00 5.56 0.13 -1.94 -1.15 132.00 138.10 3dds h PRO 194 Ca 0.11 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3dds h PRO 194 Cb 0.80 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.93 3dds h PRO 194 CO 0.61 0.03 -0.01 1.05 -0.23 0.00 0.00 178.00 179.45 3dds h GLU 195 N 0.00 0.00 -0.60 0.86 9.09 -1.95 -1.89 114.58 120.08 3dds h GLU 195 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3dds h GLU 195 Cb 0.12 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.22 3dds h GLU 195 CO 0.00 0.01 0.00 1.19 0.05 0.00 0.00 179.01 180.26 3dds n PHE 196 N -3.36 1.96 -1.82 2.06 3.72 -0.44 -5.01 117.46 114.58 3dds n PHE 196 Ca -0.03 -0.69 -0.35 0.00 -0.05 0.00 0.00 57.45 56.33 3dds n PHE 196 Cb 0.10 -0.46 0.05 0.00 -0.94 0.00 0.00 39.48 38.22 3dds n PHE 196 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3dds s MET 197 N -2.58 2.72 0.01 -1.08 0.23 -0.71 -4.74 119.30 113.14 3dds s MET 197 Ca 0.53 1.72 0.01 0.00 -1.03 0.00 0.00 55.69 56.92 3dds s MET 197 Cb 0.39 -1.91 -0.01 0.00 -1.53 0.00 0.00 34.83 31.78 3dds s MET 197 CO 0.17 -1.38 -0.04 -0.51 -2.03 0.00 0.00 175.02 171.24 3dds s LEU 198 N -4.50 2.08 0.22 0.18 1.43 -0.75 -4.94 118.68 112.40 3dds s LEU 198 Ca 0.75 -0.19 -0.29 0.00 -1.03 0.00 0.00 54.13 53.36 3dds s LEU 198 Cb -0.28 -0.12 -0.09 0.00 0.03 0.00 0.00 46.19 45.74 3dds s LEU 198 CO 0.38 -0.05 0.91 -2.16 0.23 0.00 0.00 176.35 175.66 3dds s PRO 199 N -0.50 4.80 -0.04 1.29 0.04 -1.26 -0.31 135.00 139.01 3dds s PRO 199 Ca -0.03 1.43 0.07 0.00 0.04 0.00 0.00 61.00 62.50 3dds s PRO 199 Cb -0.04 -3.28 -0.01 0.00 0.04 0.00 0.00 34.50 31.20 3dds s PRO 199 CO -0.00 0.51 -0.25 0.08 0.04 0.00 0.00 177.00 177.37 3dds s VAL 200 N -1.08 2.03 0.03 -0.36 1.01 0.57 -4.84 120.40 117.76 3dds s VAL 200 Ca 0.40 -1.07 0.02 0.00 0.00 0.00 0.00 61.98 61.34 3dds s VAL 200 Cb -0.25 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 3dds s VAL 200 CO 0.31 0.57 0.00 -1.00 0.00 0.00 0.00 175.10 174.98 3dds s HIS 201 N -0.33 3.06 0.05 5.22 3.76 -1.26 -0.93 115.29 124.86 3dds s HIS 201 Ca 0.02 0.05 -0.00 0.00 -0.15 0.00 0.00 55.06 54.97 3dds s HIS 201 Cb -0.12 -1.63 -0.04 0.00 1.11 0.00 0.00 32.58 31.90 3dds s HIS 201 CO 0.02 0.47 -0.04 -0.06 -0.85 0.00 0.00 174.74 174.28 3dds s PHE 202 N -1.16 0.53 0.00 1.40 0.08 -0.13 -4.97 117.98 113.73 3dds s PHE 202 Ca 0.22 -0.92 0.00 0.00 0.12 0.00 0.00 56.93 56.35 3dds s PHE 202 Cb -0.12 -0.37 0.00 0.00 -0.57 0.00 0.00 43.02 41.96 3dds s PHE 202 CO 0.13 -0.30 0.00 0.66 -0.10 0.00 0.00 175.22 175.61 3dds n TYR 203 N 0.44 0.00 -4.34 0.36 4.01 0.68 -1.02 117.16 117.29 3dds n TYR 203 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 3dds n TYR 203 Cb 0.59 0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.66 3dds n TYR 203 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3dds n GLY 204 N 0.00 -0.59 3.62 2.72 0.00 -1.25 -4.61 105.19 105.08 3dds n GLY 204 Ca 0.00 -1.13 -0.09 0.00 0.00 0.00 0.00 46.02 44.81 3dds n GLY 204 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dds s LYS 205 N 0.00 1.52 -0.07 1.61 -2.85 -0.39 -4.88 119.74 114.68 3dds s LYS 205 Ca 0.00 -0.95 0.04 0.00 -1.00 0.00 0.00 55.97 54.05 3dds s LYS 205 Cb 0.00 0.54 -0.02 0.00 -2.06 0.00 0.00 37.83 36.29 3dds s LYS 205 CO 0.00 -0.66 -0.19 0.08 0.10 0.00 0.00 175.35 174.68 3dds s VAL 206 N -3.91 2.63 -0.06 1.79 1.01 -1.26 -0.63 120.40 119.96 3dds s VAL 206 Ca 0.12 -0.86 0.05 0.00 0.00 0.00 0.00 61.98 61.29 3dds s VAL 206 Cb -0.02 -2.02 -0.00 0.00 0.00 0.00 0.00 36.38 34.34 3dds s VAL 206 CO 0.02 0.57 -0.21 -1.61 0.00 0.00 0.00 175.10 173.87 3dds s GLU 207 N -0.26 2.29 -0.94 2.72 2.02 -0.37 -4.99 118.70 119.16 3dds s GLU 207 Ca 0.01 -0.75 -0.09 0.00 0.02 0.00 0.00 54.97 54.16 3dds s GLU 207 Cb -0.13 -1.90 0.24 0.00 0.10 0.00 0.00 34.13 32.44 3dds s GLU 207 CO 0.03 0.26 0.88 -1.01 0.02 0.00 0.00 175.26 175.44 3dds s HIS 208 N 0.08 3.96 0.70 1.61 3.76 -1.26 -0.44 115.29 123.70 3dds s HIS 208 Ca -0.08 -2.53 -0.01 0.00 -0.15 0.00 0.00 55.06 52.29 3dds s HIS 208 Cb -0.14 -3.67 0.11 0.00 1.11 0.00 0.00 32.58 29.99 3dds s HIS 208 CO 0.04 -0.92 0.97 0.95 -0.85 0.00 0.00 174.74 174.93 3dds s THR 209 N -0.71 2.24 -2.01 1.30 -4.23 -0.90 -4.95 115.64 106.38 3dds s THR 209 Ca 0.25 -0.56 0.23 0.00 -1.18 0.00 0.00 61.69 60.42 3dds s THR 209 Cb -0.11 -2.68 0.64 0.00 1.34 0.00 0.00 72.50 71.69 3dds s THR 209 CO -0.09 0.00 1.86 -0.46 -0.54 0.00 0.00 174.62 175.39 3dds n ASN 210 N -2.78 0.05 -0.27 3.99 6.94 -1.26 -2.41 115.26 119.51 3dds n ASN 210 Ca 0.13 -1.31 0.08 0.00 -0.02 0.00 0.00 54.58 53.47 3dds n ASN 210 Cb 0.60 -0.00 0.15 0.00 -2.36 0.00 0.00 39.78 38.17 3dds n ASN 210 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 3dds n THR 211 N -0.82 1.84 0.00 5.53 -2.24 -1.26 -5.11 114.28 112.22 3dds n THR 211 Ca 0.17 -1.97 0.00 0.00 -2.27 0.00 0.00 64.05 59.97 3dds n THR 211 Cb 0.09 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.19 3dds n THR 211 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dds n GLY 212 N -1.03 1.36 3.72 3.38 0.00 -1.01 -5.02 105.19 106.59 3dds n GLY 212 Ca 0.15 -2.17 -0.42 0.00 0.00 0.00 0.00 46.02 43.59 3dds n GLY 212 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dds s THR 213 N -1.49 4.79 -0.16 2.61 2.01 -1.26 -2.12 115.64 120.02 3dds s THR 213 Ca 0.00 2.03 -0.00 0.00 0.31 0.00 0.00 61.69 64.02 3dds s THR 213 Cb 0.00 -4.30 -0.00 0.00 0.01 0.00 0.00 72.50 68.20 3dds s THR 213 CO 0.00 0.20 -0.14 -0.54 -0.69 0.00 0.00 174.62 173.45 3dds s LYS 214 N 0.75 3.26 -0.43 4.92 -0.14 0.42 -4.87 119.74 123.64 3dds s LYS 214 Ca 0.50 -0.73 -0.17 0.00 -1.36 0.00 0.00 55.97 54.21 3dds s LYS 214 Cb -0.21 -2.66 0.03 0.00 -1.68 0.00 0.00 37.83 33.31 3dds s LYS 214 CO 0.28 0.03 0.41 -0.46 -0.76 0.00 0.00 175.35 174.85 3dds s TRP 215 N 0.81 3.19 0.34 3.18 -0.00 -1.26 -1.24 118.94 123.95 3dds s TRP 215 Ca -0.05 -0.52 0.06 0.00 -0.00 0.00 0.00 56.10 55.59 3dds s TRP 215 Cb -0.15 -2.91 -0.07 0.00 -0.00 0.00 0.00 33.47 30.34 3dds s TRP 215 CO 0.00 -0.71 0.00 0.96 -0.00 0.00 0.00 176.95 177.20 3dds s ILE 216 N 2.00 1.64 -1.61 5.86 -4.36 0.19 -4.78 121.20 120.14 3dds s ILE 216 Ca 0.09 -2.05 -0.02 0.00 -0.26 0.00 0.00 60.65 58.41 3dds s ILE 216 Cb -0.19 -2.75 0.01 0.00 1.25 0.00 0.00 42.46 40.78 3dds s ILE 216 CO 0.12 -0.10 0.24 -0.67 0.24 0.00 0.00 174.94 174.77 3dds n ASP 217 N -0.75 -5.69 -4.88 4.36 2.03 -1.26 -1.26 116.55 109.09 3dds n ASP 217 Ca -0.04 -0.11 -0.30 0.00 0.52 0.00 0.00 54.79 54.86 3dds n ASP 217 Cb 0.66 -4.69 0.00 0.00 -0.72 0.00 0.00 41.12 36.37 3dds n ASP 217 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3dds s THR 218 N -3.04 4.74 0.08 5.18 -4.23 -1.26 -3.81 115.64 113.30 3dds s THR 218 Ca 0.13 0.76 -0.19 0.00 -1.18 0.00 0.00 61.69 61.21 3dds s THR 218 Cb -0.06 -3.86 -0.07 0.00 1.34 0.00 0.00 72.50 69.86 3dds s THR 218 CO 0.16 -1.05 0.58 -1.10 -0.54 0.00 0.00 174.62 172.67 3dds s GLN 219 N -5.00 4.21 -0.09 3.99 -1.52 -0.19 -4.90 119.66 116.16 3dds s GLN 219 Ca 0.54 0.75 -0.00 0.00 -1.95 0.00 0.00 55.36 54.70 3dds s GLN 219 Cb -0.11 -3.22 -0.03 0.00 -0.22 0.00 0.00 33.01 29.43 3dds s GLN 219 CO 0.50 0.62 -0.07 0.08 -0.25 0.00 0.00 175.29 176.18 3dds s VAL 220 N -1.14 3.69 -0.04 1.09 1.01 -1.26 -0.95 120.40 122.80 3dds s VAL 220 Ca 0.30 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 61.85 3dds s VAL 220 Cb -0.19 -2.53 -0.00 0.00 0.00 0.00 0.00 36.38 33.65 3dds s VAL 220 CO 0.19 0.57 -0.18 -0.69 0.00 0.00 0.00 175.10 175.00 3dds s VAL 221 N -0.51 1.46 0.12 2.92 1.01 -0.11 -4.41 120.40 120.88 3dds s VAL 221 Ca 0.08 -0.73 -0.19 0.00 0.00 0.00 0.00 61.98 61.13 3dds s VAL 221 Cb -0.12 -1.25 -0.07 0.00 0.00 0.00 0.00 36.38 34.94 3dds s VAL 221 CO 0.02 0.42 0.60 -0.76 0.00 0.00 0.00 175.10 175.38 3dds s LEU 222 N 0.03 4.47 -0.33 3.92 1.43 0.28 -0.31 118.68 128.16 3dds s LEU 222 Ca -0.04 1.28 -0.07 0.00 -1.03 0.00 0.00 54.13 54.27 3dds s LEU 222 Cb -0.12 -3.10 0.03 0.00 0.03 0.00 0.00 46.19 43.03 3dds s LEU 222 CO 0.02 0.20 0.11 0.00 0.23 0.00 0.00 176.35 176.91 3dds s ALA 223 N -1.24 3.07 -0.28 4.21 0.00 0.58 -1.02 121.76 127.08 3dds s ALA 223 Ca 0.33 -1.68 -0.11 0.00 0.00 0.00 0.00 51.96 50.50 3dds s ALA 223 Cb -0.18 -2.28 -0.05 0.00 0.00 0.00 0.00 23.12 20.61 3dds s ALA 223 CO 0.20 -1.26 0.18 -1.17 0.00 0.00 0.00 175.76 173.71 3dds s LEU 224 N 1.44 4.00 0.17 0.00 0.20 0.30 -1.80 118.68 122.98 3dds s LEU 224 Ca -0.00 -0.01 -0.24 0.00 0.69 0.00 0.00 54.13 54.56 3dds s LEU 224 Cb -0.19 -2.11 -0.08 0.00 -0.43 0.00 0.00 46.19 43.38 3dds s LEU 224 CO 0.03 -0.05 0.76 -2.16 -0.29 0.00 0.00 176.35 174.65 3dds s PRO 225 N 1.73 4.51 -0.10 0.98 0.04 -1.26 -0.20 135.00 140.70 3dds s PRO 225 Ca 0.07 1.10 0.03 0.00 0.04 0.00 0.00 61.00 62.25 3dds s PRO 225 Cb -0.16 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.18 3dds s PRO 225 CO 0.11 0.55 -0.22 0.71 0.04 0.00 0.00 177.00 178.19 3dds s TYR 226 N -1.20 2.44 -0.17 0.56 2.02 -0.02 -1.00 117.35 119.97 3dds s TYR 226 Ca 0.36 -1.05 -0.05 0.00 -0.37 0.00 0.00 57.07 55.97 3dds s TYR 226 Cb -0.22 -1.65 -0.03 0.00 -0.40 0.00 0.00 41.96 39.66 3dds s TYR 226 CO 0.25 -0.45 -0.01 -0.51 -1.57 0.00 0.00 175.55 173.27 3dds s ASP 227 N 0.50 4.99 -0.10 2.29 1.01 -0.04 -1.27 116.67 124.05 3dds s ASP 227 Ca -0.16 -0.10 0.02 0.00 0.71 0.00 0.00 52.55 53.03 3dds s ASP 227 Cb -0.17 -1.83 -0.01 0.00 1.01 0.00 0.00 42.92 41.91 3dds s ASP 227 CO 0.06 0.14 -0.18 -0.89 0.21 0.00 0.00 175.17 174.51 3dds s THR 228 N 0.53 2.66 0.33 -1.27 2.01 0.16 -0.35 115.64 119.72 3dds s THR 228 Ca -0.01 -0.82 -0.27 0.00 0.31 0.00 0.00 61.69 60.89 3dds s THR 228 Cb -0.14 -2.06 -0.09 0.00 0.01 0.00 0.00 72.50 70.22 3dds s THR 228 CO 0.02 0.55 1.07 -2.16 -0.69 0.00 0.00 174.62 173.41 3dds s PRO 229 N 0.08 4.45 -0.50 4.92 0.04 -1.26 -0.92 135.00 141.80 3dds s PRO 229 Ca -0.08 1.67 0.04 0.00 0.04 0.00 0.00 61.00 62.66 3dds s PRO 229 Cb -0.15 -2.92 0.13 0.00 0.04 0.00 0.00 34.50 31.60 3dds s PRO 229 CO 0.05 0.08 0.25 0.08 0.04 0.00 0.00 177.00 177.50 3dds s VAL 230 N -1.37 2.29 0.11 -0.36 1.01 0.10 -4.86 120.40 117.31 3dds s VAL 230 Ca 0.50 -3.12 -0.30 0.00 0.00 0.00 0.00 61.98 59.06 3dds s VAL 230 Cb -0.27 -2.59 -0.06 0.00 0.00 0.00 0.00 36.38 33.45 3dds s VAL 230 CO 0.35 -0.82 1.16 -2.16 0.00 0.00 0.00 175.10 173.62 3dds s PRO 231 N -0.12 4.49 0.73 2.72 0.04 -1.26 -1.11 135.00 140.49 3dds s PRO 231 Ca 0.17 1.75 -0.13 0.00 0.04 0.00 0.00 61.00 62.83 3dds s PRO 231 Cb -0.26 -3.32 0.04 0.00 0.04 0.00 0.00 34.50 31.00 3dds s PRO 231 CO 0.00 -0.12 1.13 0.20 0.04 0.00 0.00 177.00 178.25 3dds s GLY 232 N 0.58 2.03 -0.28 0.56 0.00 -0.02 -4.74 107.32 105.46 3dds s GLY 232 Ca 0.55 0.56 -0.29 0.00 0.00 0.00 0.00 44.72 45.54 3dds s GLY 232 CO 0.32 0.93 1.40 -0.47 0.00 0.00 0.00 173.10 175.28 3dds s TYR 233 N -2.43 2.49 -1.22 1.90 5.04 -1.26 -4.22 117.35 117.65 3dds s TYR 233 Ca 0.67 0.76 -0.19 0.00 -2.44 0.00 0.00 57.07 55.87 3dds s TYR 233 Cb -0.22 -3.94 0.00 0.00 0.35 0.00 0.00 41.96 38.16 3dds s TYR 233 CO 0.47 -2.11 0.67 -1.33 -1.34 0.00 0.00 175.55 171.91 3dds n MET 234 N 7.44 -1.46 -1.38 4.97 2.81 0.12 -4.91 117.12 124.70 3dds n MET 234 Ca 0.16 0.36 0.00 0.00 -1.81 0.00 0.00 57.70 56.41 3dds n MET 234 Cb 0.46 -3.87 0.00 0.00 -0.71 0.00 0.00 33.22 29.10 3dds n MET 234 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 3dds n ASN 235 N -2.64 0.00 -1.35 7.83 0.23 -1.26 -5.05 115.26 113.02 3dds n ASN 235 Ca -0.15 -0.96 0.12 0.00 -0.53 0.00 0.00 54.58 53.06 3dds n ASN 235 Cb 0.61 0.00 0.32 0.00 -2.08 0.00 0.00 39.78 38.63 3dds n ASN 235 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3dds n ASN 236 N -1.80 3.90 -4.70 0.53 3.02 -1.26 -4.87 115.26 110.08 3dds n ASN 236 Ca 0.00 -2.00 -0.37 0.00 -0.03 0.00 0.00 54.58 52.18 3dds n ASN 236 Cb 0.00 -0.49 -0.07 0.00 -0.61 0.00 0.00 39.78 38.61 3dds n ASN 236 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3dds s THR 237 N -1.03 5.28 -0.26 3.41 2.01 -1.26 -4.74 115.64 119.06 3dds s THR 237 Ca 0.49 0.55 -0.01 0.00 0.31 0.00 0.00 61.69 63.03 3dds s THR 237 Cb 0.25 -3.64 0.08 0.00 0.01 0.00 0.00 72.50 69.20 3dds s THR 237 CO 0.33 0.35 0.04 -0.69 -0.69 0.00 0.00 174.62 173.96 3dds s VAL 238 N 0.76 1.00 0.10 3.82 1.01 -1.26 -0.84 120.40 124.99 3dds s VAL 238 Ca 0.16 -1.16 -0.01 0.00 0.00 0.00 0.00 61.98 60.97 3dds s VAL 238 Cb -0.13 -1.57 0.02 0.00 0.00 0.00 0.00 36.38 34.70 3dds s VAL 238 CO 0.05 -0.40 0.14 0.59 0.00 0.00 0.00 175.10 175.48 3dds n ASN 239 N 4.83 0.10 -4.02 3.32 3.02 -0.27 -4.63 115.26 117.62 3dds n ASN 239 Ca -0.06 -1.10 -0.19 0.00 -0.03 0.00 0.00 54.58 53.19 3dds n ASN 239 Cb 0.44 -0.10 -0.15 0.00 -0.61 0.00 0.00 39.78 39.36 3dds n ASN 239 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3dds s THR 240 N -0.72 0.75 -0.29 3.41 2.01 -1.26 -0.72 115.64 118.82 3dds s THR 240 Ca 0.09 -0.38 -0.08 0.00 0.31 0.00 0.00 61.69 61.62 3dds s THR 240 Cb -0.00 -0.64 -0.01 0.00 0.01 0.00 0.00 72.50 71.85 3dds s THR 240 CO 0.06 0.22 0.11 -0.32 -0.69 0.00 0.00 174.62 174.00 3dds s MET 241 N -0.08 3.35 -0.30 4.92 1.75 -0.10 -1.75 119.30 127.10 3dds s MET 241 Ca 0.01 -0.70 -0.06 0.00 -1.25 0.00 0.00 55.69 53.69 3dds s MET 241 Cb -0.05 -3.45 0.01 0.00 2.84 0.00 0.00 34.83 34.18 3dds s MET 241 CO -0.00 -0.37 0.07 0.50 -0.65 0.00 0.00 175.02 174.58 3dds s ARG 242 N 1.58 3.01 -0.13 4.11 3.52 0.36 -0.67 118.95 130.74 3dds s ARG 242 Ca 0.04 -0.91 -0.00 0.00 -0.13 0.00 0.00 55.73 54.74 3dds s ARG 242 Cb -0.17 -3.36 -0.02 0.00 -1.56 0.00 0.00 34.95 29.85 3dds s ARG 242 CO 0.04 -0.47 -0.13 -0.51 -0.81 0.00 0.00 175.30 173.43 3dds s LEU 243 N 1.47 2.74 0.07 -0.88 1.43 -0.39 -2.28 118.68 120.84 3dds s LEU 243 Ca 0.02 -0.32 -0.17 0.00 -1.03 0.00 0.00 54.13 52.63 3dds s LEU 243 Cb -0.17 -1.62 -0.07 0.00 0.03 0.00 0.00 46.19 44.36 3dds s LEU 243 CO 0.02 0.17 0.53 0.26 0.23 0.00 0.00 176.35 177.56 3dds s TRP 244 N 0.35 3.75 -0.03 0.29 0.52 -0.06 -0.84 118.94 122.91 3dds s TRP 244 Ca -0.11 1.17 0.06 0.00 0.02 0.00 0.00 56.10 57.24 3dds s TRP 244 Cb -0.16 -2.43 -0.01 0.00 -1.15 0.00 0.00 33.47 29.72 3dds s TRP 244 CO 0.06 0.57 -0.21 0.45 0.02 0.00 0.00 176.95 177.83 3dds s SER 245 N -1.23 2.53 0.12 2.95 0.15 0.72 -0.42 113.70 118.53 3dds s SER 245 Ca 0.30 -0.40 -0.25 0.00 0.70 0.00 0.00 55.95 56.29 3dds s SER 245 Cb -0.18 -0.47 -0.07 0.00 -1.71 0.00 0.00 66.02 63.59 3dds s SER 245 CO 0.18 0.23 0.77 0.00 1.20 0.00 0.00 173.24 175.63 3dds s ALA 246 N -0.30 3.42 0.01 5.45 0.00 -1.26 -0.54 121.76 128.54 3dds s ALA 246 Ca 0.03 0.34 -0.01 0.00 0.00 0.00 0.00 51.96 52.32 3dds s ALA 246 Cb -0.10 -2.97 -0.01 0.00 0.00 0.00 0.00 23.12 20.03 3dds s ALA 246 CO 0.01 0.21 0.00 1.03 0.00 0.00 0.00 175.76 177.01 3dds s ARG 247 N -0.77 0.26 0.38 0.00 1.81 -0.19 -4.51 118.95 115.93 3dds s ARG 247 Ca 0.37 -0.43 -0.25 0.00 -1.72 0.00 0.00 55.73 53.69 3dds s ARG 247 Cb -0.22 0.10 -0.09 0.00 -0.45 0.00 0.00 34.95 34.29 3dds s ARG 247 CO 0.25 -0.05 1.10 0.00 -0.68 0.00 0.00 175.30 175.92 3dds s ALA 248 N -1.09 3.16 0.69 2.13 0.00 -1.26 -0.56 121.76 124.84 3dds s ALA 248 Ca -0.12 0.82 -0.11 0.00 0.00 0.00 0.00 51.96 52.56 3dds s ALA 248 Cb -0.07 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 19.74 3dds s ALA 248 CO -0.00 -0.31 1.06 -1.25 0.00 0.00 0.00 175.76 175.25 3dds s PRO 249 N -2.24 2.93 -0.14 0.00 0.04 -1.26 -4.82 135.00 129.51 3dds s PRO 249 Ca 0.55 0.97 0.13 0.00 0.04 0.00 0.00 61.00 62.69 3dds s PRO 249 Cb -0.27 -1.99 -0.18 0.00 0.04 0.00 0.00 34.50 32.11 3dds s PRO 249 CO 0.34 -1.11 0.05 0.09 0.04 0.00 0.00 177.00 176.40 3dds n ASN 250 N -3.10 1.49 -4.75 6.66 3.02 -1.26 -5.03 115.26 112.29 3dds n ASN 250 Ca 0.08 -0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.21 3dds n ASN 250 Cb 0.53 0.83 -0.01 0.00 -0.61 0.00 0.00 39.78 40.52 3dds n ASN 250 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3dds n ASP 251 N -2.54 3.85 -4.75 6.41 10.43 -1.26 -4.95 116.55 123.74 3dds n ASP 251 Ca -0.23 1.17 -0.41 0.00 2.57 0.00 0.00 54.79 57.88 3dds n ASP 251 Cb 0.96 -1.60 -0.03 0.00 1.84 0.00 0.00 41.12 42.30 3dds n ASP 251 CO 0.00 0.00 0.00 0.12 -1.07 0.00 0.00 177.20 176.25 3dds s PHE 252 N -0.28 3.19 -0.12 1.24 5.36 -1.26 -5.03 117.98 121.07 3dds s PHE 252 Ca 0.61 1.33 0.01 0.00 -0.96 0.00 0.00 56.93 57.92 3dds s PHE 252 Cb -0.49 -3.62 -0.01 0.00 -0.34 0.00 0.00 43.02 38.56 3dds s PHE 252 CO 0.52 -1.81 -0.16 -0.80 -1.46 0.00 0.00 175.22 171.51 3dds s ASN 253 N -0.12 3.75 0.55 6.13 0.01 -1.26 -5.01 114.94 118.99 3dds s ASN 253 Ca 0.52 -0.39 0.28 0.00 -0.71 0.00 0.00 52.86 52.56 3dds s ASN 253 Cb -0.38 -1.55 1.45 0.00 0.41 0.00 0.00 41.25 41.18 3dds s ASN 253 CO 0.45 0.16 1.95 0.25 -1.51 0.00 0.00 177.10 178.41 3dds h LEU 254 N 6.70 0.00 -1.39 0.60 5.85 -2.06 0.89 115.31 125.89 3dds h LEU 254 Ca -0.24 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.48 3dds h LEU 254 Cb 1.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.25 3dds h LEU 254 CO 0.53 0.00 0.00 0.03 -0.34 0.00 0.00 178.44 178.66 3dds h ARG 255 N 0.00 0.00 -7.33 1.25 -0.00 -2.03 -3.57 114.38 102.70 3dds h ARG 255 Ca 0.28 0.00 -0.51 0.00 -0.50 0.00 0.00 59.98 59.25 3dds h ARG 255 Cb 1.20 0.00 0.12 0.00 0.00 0.00 0.00 29.97 31.29 3dds h ARG 255 CO -0.00 0.00 0.33 -0.51 0.00 0.00 0.00 179.97 179.78 3dds s ASP 256 N -4.39 4.63 0.00 7.04 1.01 0.31 -5.29 116.67 119.97 3dds s ASP 256 Ca -0.00 1.69 0.00 0.00 0.71 0.00 0.00 52.55 54.94 3dds s ASP 256 Cb 0.08 -2.44 0.00 0.00 1.01 0.00 0.00 42.92 41.58 3dds s ASP 256 CO 0.32 -1.93 0.00 0.61 0.21 0.00 0.00 175.17 174.37 3dds n GLY 260 N -1.49 2.62 3.69 0.21 0.00 -1.26 -5.00 105.19 103.97 3dds n GLY 260 Ca 0.08 -1.93 -0.42 0.00 0.00 0.00 0.00 46.02 43.75 3dds n GLY 260 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3dds s ASP 261 N 0.00 6.80 0.14 1.61 2.15 -1.26 -4.92 116.67 121.19 3dds s ASP 261 Ca 0.00 2.21 -0.18 0.00 0.43 0.00 0.00 52.55 55.01 3dds s ASP 261 Cb 0.00 -2.56 0.01 0.00 -0.30 0.00 0.00 42.92 40.07 3dds s ASP 261 CO 0.00 -0.74 1.73 0.22 -0.17 0.00 0.00 175.17 176.21 3dds h TYR 262 N 7.80 0.09 -0.15 -5.34 3.20 -2.06 -1.67 116.97 118.85 3dds h TYR 262 Ca -0.39 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.50 3dds h TYR 262 Cb 1.19 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.45 3dds h TYR 262 CO 0.75 0.02 0.08 0.82 -1.64 0.00 0.00 178.16 178.19 3dds h ILE 263 N 0.16 1.01 -0.86 1.81 1.08 -2.00 -1.98 117.51 116.74 3dds h ILE 263 Ca 0.12 -0.06 -0.00 0.00 -0.39 0.00 0.00 64.86 64.53 3dds h ILE 263 Cb 0.13 0.82 -0.04 0.00 -3.07 0.00 0.00 36.82 34.66 3dds h ILE 263 CO -0.16 0.03 0.52 -0.61 -0.69 0.00 0.00 178.15 177.24 3dds h GLN 264 N 0.18 1.16 -0.77 2.37 5.75 -1.94 -1.15 115.11 120.71 3dds h GLN 264 Ca 0.06 -0.10 0.01 0.00 -0.15 0.00 0.00 58.65 58.46 3dds h GLN 264 Cb -0.00 -0.24 -0.04 0.00 1.07 0.00 0.00 27.48 28.26 3dds h GLN 264 CO -0.03 0.81 0.51 0.00 -2.65 0.00 0.00 178.83 177.47 3dds h ALA 265 N 1.39 0.98 -0.26 3.38 0.00 -0.87 0.51 119.26 124.39 3dds h ALA 265 Ca 0.31 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 3dds h ALA 265 Cb -0.05 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 3dds h ALA 265 CO -0.06 0.40 -0.04 0.28 0.00 0.00 0.00 179.25 179.83 3dds h VAL 266 N 1.05 1.27 -0.97 0.00 2.07 -0.83 -3.00 116.25 115.84 3dds h VAL 266 Ca 0.28 -1.02 0.06 0.00 0.82 0.00 0.00 66.70 66.85 3dds h VAL 266 Cb -0.11 1.41 -0.07 0.00 -1.52 0.00 0.00 31.29 31.01 3dds h VAL 266 CO -0.06 0.32 0.62 -0.07 0.02 0.00 0.00 177.57 178.40 3dds h LEU 267 N 0.24 1.00 -0.03 2.57 3.38 -0.96 -2.28 115.31 119.23 3dds h LEU 267 Ca 0.07 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3dds h LEU 267 Cb 0.49 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3dds h LEU 267 CO 0.02 0.64 0.00 0.47 0.09 0.00 0.00 178.44 179.66 3dds n ASP 268 N -4.53 0.02 0.24 -0.43 8.00 0.15 -1.41 116.55 118.58 3dds n ASP 268 Ca 0.15 0.51 0.18 0.00 0.71 0.00 0.00 54.79 56.33 3dds n ASP 268 Cb 0.18 -0.51 0.88 0.00 -0.02 0.00 0.00 41.12 41.64 3dds n ASP 268 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3dds h ARG 269 N 0.00 0.00 -0.82 -1.24 3.08 -1.39 -2.02 114.38 111.99 3dds h ARG 269 Ca 0.00 0.00 0.17 0.00 0.07 0.00 0.00 59.98 60.22 3dds h ARG 269 Cb 0.14 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.13 3dds h ARG 269 CO 0.00 0.00 0.55 -0.91 -1.07 0.00 0.00 179.97 178.54 3dds h ASN 270 N 0.00 0.41 -0.54 7.04 2.35 -1.45 -2.76 115.58 120.64 3dds h ASN 270 Ca 0.06 0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 3dds h ASN 270 Cb 0.43 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.73 3dds h ASN 270 CO -0.00 0.20 0.26 -0.07 -1.65 0.00 0.00 177.43 176.16 3dds h LEU 271 N 0.43 0.71 -0.40 1.61 3.38 -1.60 0.19 115.31 119.63 3dds h LEU 271 Ca 0.42 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 58.14 3dds h LEU 271 Cb 0.97 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 3dds h LEU 271 CO -0.15 0.64 -0.21 0.00 0.09 0.00 0.00 178.44 178.81 3dds h ALA 272 N 1.10 0.56 0.00 1.53 0.00 -1.68 -3.07 119.26 117.70 3dds h ALA 272 Ca 0.19 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3dds h ALA 272 Cb 0.12 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3dds h ALA 272 CO -0.02 0.53 -0.05 0.93 0.00 0.00 0.00 179.25 180.63 3dds h GLU 273 N 0.65 0.00 0.00 0.00 5.08 -1.18 -2.84 114.58 116.29 3dds h GLU 273 Ca 0.09 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3dds h GLU 273 Cb 0.77 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 3dds h GLU 273 CO 0.06 0.05 -0.00 -0.91 -1.00 0.00 0.00 179.01 177.22 3dds h ASN 274 N 0.00 0.00 -0.93 1.42 2.35 -0.53 -3.06 115.58 114.83 3dds h ASN 274 Ca -0.00 0.00 0.05 0.00 -0.55 0.00 0.00 56.30 55.80 3dds h ASN 274 Cb 0.47 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.78 3dds h ASN 274 CO 0.01 0.00 0.60 0.40 -1.65 0.00 0.00 177.43 176.79 3dds h ILE 275 N 0.00 1.11 -0.54 2.81 2.04 -1.66 -2.09 117.51 119.17 3dds h ILE 275 Ca -0.00 -0.38 -0.05 0.00 1.00 0.00 0.00 64.86 65.43 3dds h ILE 275 Cb 0.07 -0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 36.01 3dds h ILE 275 CO 0.00 0.20 0.05 -1.54 0.00 0.00 0.00 178.15 176.87 3dds n SER 276 N -4.53 5.16 -0.06 1.72 3.41 -1.16 -4.67 113.62 113.50 3dds n SER 276 Ca 0.13 -3.03 -0.13 0.00 -0.26 0.00 0.00 58.87 55.58 3dds n SER 276 Cb 0.14 -0.67 -0.07 0.00 -0.26 0.00 0.00 64.21 63.35 3dds n SER 276 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3dds h ARG 277 N 3.26 0.40 -2.94 4.33 9.65 -1.46 -1.86 114.38 125.76 3dds h ARG 277 Ca 0.06 -0.23 -0.15 0.00 -1.10 0.00 0.00 59.98 58.56 3dds h ARG 277 Cb 1.95 0.02 -0.26 0.00 -1.39 0.00 0.00 29.97 30.29 3dds h ARG 277 CO 0.49 0.80 -0.36 0.54 2.80 0.00 0.00 179.97 184.24 3dds s VAL 278 N -4.22 -0.01 0.13 0.20 0.11 -1.26 -0.61 120.40 114.75 3dds s VAL 278 Ca -0.14 0.03 -0.31 0.00 -2.93 0.00 0.00 61.98 58.62 3dds s VAL 278 Cb 0.05 -0.46 -0.09 0.00 -1.53 0.00 0.00 36.38 34.36 3dds s VAL 278 CO 0.77 0.01 1.50 -0.22 -3.33 0.00 0.00 175.10 173.83 3dds s LEU 279 N 0.42 4.37 -0.08 2.54 2.96 -0.81 -4.98 118.68 123.10 3dds s LEU 279 Ca -0.02 2.48 -0.30 0.00 -0.22 0.00 0.00 54.13 56.08 3dds s LEU 279 Cb -0.04 -3.59 -0.05 0.00 0.50 0.00 0.00 46.19 43.01 3dds s LEU 279 CO -0.02 -0.76 1.71 -0.31 -1.32 0.00 0.00 176.35 175.65 3dds s TYR 280 N 1.28 1.88 -0.20 5.38 2.02 -1.26 -4.84 117.35 121.61 3dds s TYR 280 Ca 0.68 0.19 0.00 0.00 -0.37 0.00 0.00 57.07 57.57 3dds s TYR 280 Cb -0.40 -3.96 0.20 0.00 -0.40 0.00 0.00 41.96 37.39 3dds s TYR 280 CO 0.31 -3.91 1.67 -0.35 -1.57 0.00 0.00 175.55 171.70 3dds n PRO 281 N 7.33 1.52 -3.88 -1.71 -0.04 -1.26 -4.88 135.00 132.08 3dds n PRO 281 Ca 0.18 -1.11 -0.35 0.00 -0.04 0.00 0.00 63.50 62.17 3dds n PRO 281 Cb 0.43 -1.44 -0.08 0.00 -0.04 0.00 0.00 33.50 32.37 3dds n PRO 281 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3dds s ASN 282 N 0.42 6.07 -0.22 3.54 0.01 -1.26 -4.35 114.94 119.15 3dds s ASN 282 Ca 0.22 0.26 -0.04 0.00 -0.71 0.00 0.00 52.86 52.59 3dds s ASN 282 Cb 0.18 -2.02 -0.01 0.00 0.41 0.00 0.00 41.25 39.81 3dds s ASN 282 CO 0.02 0.26 -0.05 -0.62 -1.51 0.00 0.00 177.10 175.20 3dds s ASP 283 N -0.14 4.26 -1.27 -1.22 -1.08 -1.26 -4.65 116.67 111.31 3dds s ASP 283 Ca 0.09 -0.41 -0.02 0.00 -0.52 0.00 0.00 52.55 51.70 3dds s ASP 283 Cb -0.12 -1.73 0.01 0.00 -1.46 0.00 0.00 42.92 39.62 3dds s ASP 283 CO 0.01 -0.02 0.90 0.59 0.52 0.00 0.00 175.17 177.17 3dds n ASN 284 N 4.79 -2.27 -3.64 -0.34 3.02 -1.26 -5.00 115.26 110.57 3dds n ASN 284 Ca -0.18 -0.70 -0.04 0.00 -0.03 0.00 0.00 54.58 53.63 3dds n ASN 284 Cb 0.51 -4.65 -0.05 0.00 -0.61 0.00 0.00 39.78 34.97 3dds n ASN 284 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3dds s PHE 285 N -3.47 -1.17 -0.16 3.10 5.36 -1.26 -4.14 117.98 116.25 3dds s PHE 285 Ca 0.09 2.16 -0.19 0.00 -0.96 0.00 0.00 56.93 58.03 3dds s PHE 285 Cb -0.04 0.70 -0.03 0.00 -0.34 0.00 0.00 43.02 43.30 3dds s PHE 285 CO 0.77 -0.58 0.54 0.12 -1.46 0.00 0.00 175.22 174.61 3dds s PHE 286 N 2.25 3.44 -0.21 10.12 5.36 -0.23 -4.85 117.98 133.87 3dds s PHE 286 Ca -0.08 0.89 0.01 0.00 -0.96 0.00 0.00 56.93 56.80 3dds s PHE 286 Cb -0.08 -2.67 0.04 0.00 -0.34 0.00 0.00 43.02 39.97 3dds s PHE 286 CO -0.19 0.00 -0.12 -2.00 -1.46 0.00 0.00 175.22 171.45 3dds s GLU 287 N 1.23 2.26 -0.56 10.12 2.12 -1.26 -4.96 118.70 127.65 3dds s GLU 287 Ca 0.27 -0.97 -0.07 0.00 0.36 0.00 0.00 54.97 54.56 3dds s GLU 287 Cb -0.16 -2.57 -0.17 0.00 0.26 0.00 0.00 34.13 31.50 3dds s GLU 287 CO 0.11 -0.42 3.30 0.41 -0.54 0.00 0.00 175.26 178.11 3dds n GLY 288 N 4.61 3.60 3.77 -1.50 0.00 -1.26 -4.93 105.19 109.47 3dds n GLY 288 Ca -0.16 -1.40 -0.40 0.00 0.00 0.00 0.00 46.02 44.07 3dds n GLY 288 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dds s LYS 289 N 0.94 4.64 0.31 1.61 -0.14 -1.26 -4.97 119.74 120.87 3dds s LYS 289 Ca 0.66 1.24 0.00 0.00 -1.36 0.00 0.00 55.97 56.52 3dds s LYS 289 Cb 0.28 -3.26 0.53 0.00 -1.68 0.00 0.00 37.83 33.70 3dds s LYS 289 CO -0.04 0.56 1.93 1.49 -0.76 0.00 0.00 175.35 178.52 3dds h GLU 290 N 4.26 1.00 -0.64 1.68 4.81 -2.00 -1.92 114.58 121.77 3dds h GLU 290 Ca -0.47 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 58.68 3dds h GLU 290 Cb 1.20 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 30.33 3dds h GLU 290 CO 0.66 0.66 0.29 1.25 -0.73 0.00 0.00 179.01 181.14 3dds h LEU 291 N 1.03 0.83 -0.50 1.64 5.85 -1.99 -0.38 115.31 121.80 3dds h LEU 291 Ca 0.36 -0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.93 3dds h LEU 291 Cb 0.11 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 3dds h LEU 291 CO -0.12 0.72 0.10 -0.09 -0.34 0.00 0.00 178.44 178.71 3dds h ARG 292 N 0.90 0.81 -0.77 1.25 9.65 -1.73 -0.92 114.38 123.58 3dds h ARG 292 Ca 0.22 -0.21 0.03 0.00 -1.10 0.00 0.00 59.98 58.92 3dds h ARG 292 Cb 0.13 -0.10 -0.05 0.00 -1.39 0.00 0.00 29.97 28.56 3dds h ARG 292 CO -0.03 0.80 0.49 1.25 2.80 0.00 0.00 179.97 185.28 3dds h LEU 293 N 0.69 0.82 -0.79 3.80 5.85 -0.92 -1.30 115.31 123.46 3dds h LEU 293 Ca 0.15 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.89 3dds h LEU 293 Cb 0.37 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 3dds h LEU 293 CO 0.01 0.57 0.51 0.11 -0.34 0.00 0.00 178.44 179.30 3dds h LYS 294 N 0.97 0.99 -0.47 1.25 1.57 -0.72 -1.66 116.57 118.50 3dds h LYS 294 Ca 0.30 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 59.05 3dds h LYS 294 Cb -0.01 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.04 3dds h LYS 294 CO -0.10 0.65 0.27 1.96 -0.57 0.00 0.00 179.45 181.66 3dds h GLN 295 N 1.02 0.51 -0.16 3.15 4.20 -0.53 0.15 115.11 123.45 3dds h GLN 295 Ca 0.31 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.99 3dds h GLN 295 Cb -0.03 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.62 3dds h GLN 295 CO -0.10 0.34 0.09 0.93 -0.67 0.00 0.00 178.83 179.43 3dds h GLU 296 N 0.53 0.23 -0.62 1.46 5.08 -0.79 -2.05 114.58 118.42 3dds h GLU 296 Ca 0.20 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.44 3dds h GLU 296 Cb 0.05 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3dds h GLU 296 CO -0.11 0.22 0.02 -0.92 -1.00 0.00 0.00 179.01 177.23 3dds h TYR 297 N 0.17 1.17 0.00 4.33 3.20 -1.21 -2.73 116.97 121.91 3dds h TYR 297 Ca 0.06 -0.20 0.03 0.00 3.14 0.00 0.00 58.73 61.76 3dds h TYR 297 Cb 0.06 -0.31 -0.05 0.00 1.54 0.00 0.00 36.73 37.97 3dds h TYR 297 CO -0.04 1.02 -0.26 0.35 -1.64 0.00 0.00 178.16 177.59 3dds h PHE 298 N 0.99 -0.70 -0.65 -3.82 3.57 -0.68 0.20 116.94 115.84 3dds h PHE 298 Ca 0.18 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.65 3dds h PHE 298 Cb 0.54 0.31 -0.03 0.00 2.79 0.00 0.00 35.95 39.56 3dds h PHE 298 CO 0.04 -0.35 0.21 -0.24 -2.23 0.00 0.00 178.31 175.73 3dds h VAL 299 N -0.40 1.24 -0.13 1.41 3.04 -1.40 -2.39 116.25 117.61 3dds h VAL 299 Ca 0.06 -0.81 -0.04 0.00 -1.01 0.00 0.00 66.70 64.90 3dds h VAL 299 Cb 0.49 0.52 -0.00 0.00 -2.01 0.00 0.00 31.29 30.28 3dds h VAL 299 CO -0.23 0.32 -0.06 0.58 -1.01 0.00 0.00 177.57 177.17 3dds h VAL 300 N 0.95 1.31 -0.29 1.51 2.07 -1.09 -1.77 116.25 118.94 3dds h VAL 300 Ca 0.21 -1.08 -0.08 0.00 0.82 0.00 0.00 66.70 66.58 3dds h VAL 300 Cb 0.26 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 3dds h VAL 300 CO -0.01 0.31 -0.11 0.00 0.02 0.00 0.00 177.57 177.78 3dds h ALA 301 N 0.66 0.41 -0.21 1.67 0.00 -0.57 -1.58 119.26 119.65 3dds h ALA 301 Ca 0.03 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3dds h ALA 301 Cb 0.52 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3dds h ALA 301 CO 0.02 0.27 0.09 0.00 0.00 0.00 0.00 179.25 179.62 3dds h ALA 302 N 0.76 0.27 0.14 0.00 0.00 -1.50 -2.36 119.26 116.57 3dds h ALA 302 Ca 0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3dds h ALA 302 Cb 0.62 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3dds h ALA 302 CO 0.04 -0.15 -0.07 1.15 0.00 0.00 0.00 179.25 180.23 3dds h THR 303 N 0.19 0.89 -0.64 0.00 2.02 -1.26 -1.48 112.91 112.62 3dds h THR 303 Ca 0.07 -0.09 -0.04 0.00 0.77 0.00 0.00 66.41 67.12 3dds h THR 303 Cb 0.16 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 3dds h THR 303 CO -0.01 0.02 0.23 -0.07 0.37 0.00 0.00 175.52 176.07 3dds h LEU 304 N -0.23 0.88 -0.66 2.58 4.07 -1.33 0.02 115.31 120.65 3dds h LEU 304 Ca -0.02 -0.13 -0.00 0.00 0.08 0.00 0.00 57.88 57.80 3dds h LEU 304 Cb 0.18 -0.23 -0.03 0.00 1.08 0.00 0.00 40.66 41.66 3dds h LEU 304 CO 0.03 0.80 0.40 -0.61 -1.08 0.00 0.00 178.44 177.98 3dds h GLN 305 N 0.94 0.91 -0.40 1.13 4.15 -1.32 -1.81 115.11 118.71 3dds h GLN 305 Ca 0.22 -0.09 -0.07 0.00 0.77 0.00 0.00 58.65 59.48 3dds h GLN 305 Cb 0.22 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 27.70 3dds h GLN 305 CO -0.02 0.65 -0.03 0.22 -1.93 0.00 0.00 178.83 177.73 3dds h ASP 306 N 0.90 0.71 -0.64 -0.69 3.58 -0.56 -1.60 116.42 118.12 3dds h ASP 306 Ca 0.24 -0.33 0.01 0.00 0.42 0.00 0.00 57.03 57.37 3dds h ASP 306 Cb -0.02 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 40.81 3dds h ASP 306 CO -0.04 0.87 0.42 0.40 -2.88 0.00 0.00 179.24 178.01 3dds h ILE 307 N 0.54 1.15 -0.36 2.25 2.04 -0.89 -1.71 117.51 120.53 3dds h ILE 307 Ca 0.11 -0.29 -0.14 0.00 1.00 0.00 0.00 64.86 65.53 3dds h ILE 307 Cb 0.52 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 3dds h ILE 307 CO 0.03 0.16 -0.33 0.40 0.00 0.00 0.00 178.15 178.40 3dds h ILE 308 N 0.86 1.28 -0.52 -0.67 2.04 -1.24 -0.29 117.51 118.97 3dds h ILE 308 Ca 0.24 -1.50 0.06 0.00 1.00 0.00 0.00 64.86 64.65 3dds h ILE 308 Cb -0.08 1.42 -0.05 0.00 -0.74 0.00 0.00 36.82 37.37 3dds h ILE 308 CO -0.06 0.50 0.24 -0.09 0.00 0.00 0.00 178.15 178.73 3dds h ARG 309 N 0.67 0.44 -0.64 2.37 2.43 -1.15 0.10 114.38 118.60 3dds h ARG 309 Ca 0.06 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.13 3dds h ARG 309 Cb 0.92 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.34 3dds h ARG 309 CO 0.08 0.29 0.10 -0.09 -1.51 0.00 0.00 179.97 178.85 3dds h ARG 310 N 0.46 1.06 -0.18 0.20 2.43 -1.10 -2.08 114.38 115.17 3dds h ARG 310 Ca 0.24 -0.28 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 3dds h ARG 310 Cb 0.19 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 3dds h ARG 310 CO -0.20 0.98 0.08 0.35 -1.51 0.00 0.00 179.97 179.68 3dds h PHE 311 N 0.97 0.27 -0.08 2.20 3.57 -0.55 -2.22 116.94 121.11 3dds h PHE 311 Ca 0.19 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 3dds h PHE 311 Cb 0.43 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 3dds h PHE 311 CO 0.03 0.31 -0.16 0.87 -2.23 0.00 0.00 178.31 177.14 3dds h LYS 312 N 0.16 0.12 0.00 1.11 1.57 -0.71 -2.04 116.57 116.77 3dds h LYS 312 Ca 0.06 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3dds h LYS 312 Cb 0.15 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.44 3dds h LYS 312 CO -0.01 0.28 -0.15 0.00 -0.57 0.00 0.00 179.45 179.01 3dds n ALA 313 N -2.50 2.52 -1.69 3.86 0.00 -0.79 -4.32 120.51 117.59 3dds n ALA 313 Ca -0.02 -0.11 -0.29 0.00 0.00 0.00 0.00 53.44 53.02 3dds n ALA 313 Cb 0.26 -1.39 0.14 0.00 0.00 0.00 0.00 19.45 18.46 3dds n ALA 313 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3dds s SER 314 N -3.86 3.52 0.49 0.00 1.04 -0.77 -4.89 113.70 109.22 3dds s SER 314 Ca 0.11 0.73 0.22 0.00 0.48 0.00 0.00 55.95 57.49 3dds s SER 314 Cb 0.15 -1.14 1.25 0.00 0.10 0.00 0.00 66.02 66.38 3dds s SER 314 CO 0.61 -2.52 2.03 0.11 0.98 0.00 0.00 173.24 174.45 3dds h LYS 315 N -1.48 0.00 0.00 4.02 1.57 -1.85 -0.88 116.57 117.95 3dds h LYS 315 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3dds h LYS 315 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.62 3dds h LYS 315 CO 0.56 0.15 0.00 1.19 -0.57 0.00 0.00 179.45 180.78 3dds n PHE 316 N -3.93 0.00 0.75 -1.35 3.72 -1.26 -3.41 117.46 111.98 3dds n PHE 316 Ca -0.02 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.50 3dds n PHE 316 Cb 0.24 -0.29 0.49 0.00 -0.94 0.00 0.00 39.48 38.99 3dds n PHE 316 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3dds n GLY 317 N 1.24 -1.40 3.49 1.37 0.00 -0.33 -4.74 105.19 104.82 3dds n GLY 317 Ca 0.14 -0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 3dds n GLY 317 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3dds s SER 318 N -3.41 5.13 0.00 1.61 0.01 -1.22 -4.92 113.70 110.90 3dds s SER 318 Ca 0.11 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.23 3dds s SER 318 Cb 0.15 -1.89 0.00 0.00 0.21 0.00 0.00 66.02 64.48 3dds s SER 318 CO 0.47 0.06 0.00 0.35 0.41 0.00 0.00 173.24 174.52 3dds n THR 319 N 4.30 0.00 0.33 1.44 -2.24 -1.26 -5.06 114.28 111.78 3dds n THR 319 Ca -0.17 0.00 0.21 0.00 -2.27 0.00 0.00 64.05 61.82 3dds n THR 319 Cb 0.52 0.00 1.11 0.00 -2.10 0.00 0.00 70.33 69.85 3dds n THR 319 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3dds h GLY 323 N 0.00 0.00 -2.34 3.38 0.00 -2.03 -3.51 103.07 98.57 3dds h GLY 323 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 3dds h GLY 323 CO 0.00 0.00 0.48 -0.51 0.00 0.00 0.00 176.54 176.51 3dds s THR 324 N -4.19 2.80 0.54 4.70 -4.23 -1.26 -4.91 115.64 109.10 3dds s THR 324 Ca -0.05 0.53 0.24 0.00 -1.18 0.00 0.00 61.69 61.24 3dds s THR 324 Cb 0.12 -3.24 0.36 0.00 1.34 0.00 0.00 72.50 71.08 3dds s THR 324 CO 0.39 -0.07 2.05 1.62 -0.54 0.00 0.00 174.62 178.08 3dds h VAL 325 N 1.28 0.74 0.00 2.29 3.04 -1.92 -2.58 116.25 119.10 3dds h VAL 325 Ca -0.50 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.19 3dds h VAL 325 Cb 1.28 0.82 0.00 0.00 -2.01 0.00 0.00 31.29 31.38 3dds h VAL 325 CO 0.57 0.00 0.00 0.49 -1.01 0.00 0.00 177.57 177.62 3dds n PHE 326 N -4.29 0.00 -0.12 3.17 3.72 -1.26 -3.23 117.46 115.44 3dds n PHE 326 Ca 0.05 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.54 3dds n PHE 326 Cb 0.42 -0.18 0.44 0.00 -0.94 0.00 0.00 39.48 39.21 3dds n PHE 326 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3dds h ASP 327 N 0.00 0.50 0.26 4.37 3.32 -1.84 -1.41 116.42 121.62 3dds h ASP 327 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3dds h ASP 327 Cb 0.15 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.60 3dds h ASP 327 CO 0.00 0.31 -0.14 0.00 -1.72 0.00 0.00 179.24 177.69 3dds n ALA 328 N -2.49 2.84 0.04 3.45 0.00 -1.20 -4.51 120.51 118.64 3dds n ALA 328 Ca 0.10 -0.33 -0.12 0.00 0.00 0.00 0.00 53.44 53.09 3dds n ALA 328 Cb 0.30 -1.26 -0.06 0.00 0.00 0.00 0.00 19.45 18.44 3dds n ALA 328 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3dds h PHE 329 N 0.95 -1.04 0.00 0.00 3.57 -1.44 -0.62 116.94 118.36 3dds h PHE 329 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 3dds h PHE 329 Cb 0.41 0.46 0.00 0.00 2.79 0.00 0.00 35.95 39.61 3dds h PHE 329 CO 0.00 -0.45 0.00 -0.35 -2.23 0.00 0.00 178.31 175.28 3dds n PRO 330 N -5.43 0.10 0.06 6.41 -0.04 -1.26 -0.21 135.00 134.63 3dds n PRO 330 Ca -0.05 0.41 0.13 0.00 -0.04 0.00 0.00 63.50 63.95 3dds n PRO 330 Cb 0.35 -1.72 0.41 0.00 -0.04 0.00 0.00 33.50 32.50 3dds n PRO 330 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3dds n ASP 331 N -1.91 0.54 -0.00 3.54 8.00 -0.30 -4.10 116.55 122.32 3dds n ASP 331 Ca 0.02 0.40 0.01 0.00 0.71 0.00 0.00 54.79 55.93 3dds n ASP 331 Cb 0.15 -0.46 -0.01 0.00 -0.02 0.00 0.00 41.12 40.79 3dds n ASP 331 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dds n GLN 332 N -1.96 6.29 -3.75 -1.24 1.13 -0.09 -4.53 117.38 113.23 3dds n GLN 332 Ca 0.06 -0.00 -0.16 0.00 -1.94 0.00 0.00 57.00 54.95 3dds n GLN 332 Cb 0.40 -0.59 -0.16 0.00 0.11 0.00 0.00 30.24 30.00 3dds n GLN 332 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3dds s VAL 333 N -1.18 -0.07 -0.08 5.09 1.01 0.71 -1.65 120.40 124.23 3dds s VAL 333 Ca 0.01 0.26 0.04 0.00 0.00 0.00 0.00 61.98 62.29 3dds s VAL 333 Cb 0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 36.38 36.29 3dds s VAL 333 CO 0.06 0.11 -0.23 0.00 0.00 0.00 0.00 175.10 175.04 3dds s ALA 334 N 1.30 2.24 -0.19 5.51 0.00 0.21 -4.45 121.76 126.37 3dds s ALA 334 Ca -0.06 -1.00 0.01 0.00 0.00 0.00 0.00 51.96 50.91 3dds s ALA 334 Cb -0.13 -0.80 0.02 0.00 0.00 0.00 0.00 23.12 22.21 3dds s ALA 334 CO -0.03 0.35 -0.17 0.42 0.00 0.00 0.00 175.76 176.33 3dds s ILE 335 N 0.07 2.21 -0.21 0.00 1.01 -0.35 -0.29 121.20 123.64 3dds s ILE 335 Ca -0.10 -0.97 -0.11 0.00 0.00 0.00 0.00 60.65 59.46 3dds s ILE 335 Cb -0.16 -1.98 -0.05 0.00 0.01 0.00 0.00 42.46 40.29 3dds s ILE 335 CO 0.06 0.46 0.19 -1.58 0.00 0.00 0.00 174.94 174.07 3dds s GLN 336 N 1.29 4.16 -0.38 2.79 2.00 -0.12 -1.92 119.66 127.47 3dds s GLN 336 Ca 0.04 -0.15 -0.18 0.00 -2.00 0.00 0.00 55.36 53.06 3dds s GLN 336 Cb -0.14 -3.47 0.01 0.00 0.80 0.00 0.00 33.01 30.21 3dds s GLN 336 CO -0.11 0.18 0.50 -0.51 -0.50 0.00 0.00 175.29 174.84 3dds s LEU 337 N 0.69 4.52 -0.85 3.68 1.43 0.24 -1.50 118.68 126.90 3dds s LEU 337 Ca 0.10 -0.28 -0.24 0.00 -1.03 0.00 0.00 54.13 52.68 3dds s LEU 337 Cb -0.12 -2.53 0.05 0.00 0.03 0.00 0.00 46.19 43.62 3dds s LEU 337 CO 0.02 -0.54 1.29 0.21 0.23 0.00 0.00 176.35 177.56 3dds s ASN 338 N 1.81 6.33 0.59 2.29 2.47 -0.86 -1.84 114.94 125.72 3dds s ASN 338 Ca 0.17 -1.02 0.00 0.00 0.42 0.00 0.00 52.86 52.42 3dds s ASN 338 Cb -0.16 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.11 3dds s ASN 338 CO 0.14 -1.60 0.00 -0.67 -3.72 0.00 0.00 177.10 171.25 3dds n ASP 339 N 8.75 -3.76 -0.32 -4.21 -0.08 -0.49 -4.15 116.55 112.28 3dds n ASP 339 Ca 0.15 0.06 0.15 0.00 -1.51 0.00 0.00 54.79 53.63 3dds n ASP 339 Cb 0.49 -0.16 0.64 0.00 2.34 0.00 0.00 41.12 44.44 3dds n ASP 339 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 3dds n THR 340 N -1.33 0.00 -0.34 5.18 -2.24 -1.26 -4.33 114.28 109.96 3dds n THR 340 Ca 0.00 -0.17 0.03 0.00 -2.27 0.00 0.00 64.05 61.65 3dds n THR 340 Cb 0.02 0.19 0.21 0.00 -2.10 0.00 0.00 70.33 68.65 3dds n THR 340 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 3dds h HIS 341 N 1.56 1.13 -0.87 4.78 3.86 -1.96 -0.08 115.15 123.57 3dds h HIS 341 Ca 0.00 0.03 -0.42 0.00 -1.16 0.00 0.00 60.37 58.82 3dds h HIS 341 Cb 0.35 -0.37 -0.25 0.00 1.06 0.00 0.00 27.41 28.20 3dds h HIS 341 CO 0.00 0.59 0.53 -0.35 0.86 0.00 0.00 177.93 179.56 3dds n PRO 342 N -4.49 2.41 -0.27 2.45 -0.04 -1.26 -4.65 135.00 129.15 3dds n PRO 342 Ca 0.15 -2.76 0.18 0.00 -0.04 0.00 0.00 63.50 61.03 3dds n PRO 342 Cb 0.19 -2.09 0.47 0.00 -0.04 0.00 0.00 33.50 32.03 3dds n PRO 342 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dds h ALA 343 N 1.40 2.09 0.00 0.55 0.00 -1.27 -1.18 119.26 120.85 3dds h ALA 343 Ca 0.52 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.46 3dds h ALA 343 Cb 2.62 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 20.37 3dds h ALA 343 CO 0.95 -0.40 0.07 1.28 0.00 0.00 0.00 179.25 181.15 3dds n LEU 344 N -4.57 0.47 -0.19 0.00 4.77 -1.26 -1.61 117.00 114.61 3dds n LEU 344 Ca 0.20 0.69 0.11 0.00 -0.03 0.00 0.00 56.01 56.99 3dds n LEU 344 Cb 0.68 -0.73 0.43 0.00 -2.33 0.00 0.00 43.42 41.46 3dds n LEU 344 CO 0.28 -0.85 1.21 0.00 -1.33 0.00 0.00 177.39 176.71 3dds h ALA 345 N 1.80 1.90 0.79 -1.18 0.00 -1.57 -0.81 119.26 120.19 3dds h ALA 345 Ca 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3dds h ALA 345 Cb 0.14 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.82 3dds h ALA 345 CO 0.00 -0.08 -0.38 0.82 0.00 0.00 0.00 179.25 179.61 3dds h ILE 346 N 0.59 0.00 0.00 0.00 2.04 -1.53 -0.84 117.51 117.77 3dds h ILE 346 Ca 0.36 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 66.02 3dds h ILE 346 Cb 0.60 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.68 3dds h ILE 346 CO -0.13 0.00 -0.14 1.55 0.00 0.00 0.00 178.15 179.43 3dds h PRO 347 N -1.23 0.00 -0.54 2.37 0.13 -1.73 -2.56 132.00 128.44 3dds h PRO 347 Ca -0.11 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.95 3dds h PRO 347 Cb 0.81 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.92 3dds h PRO 347 CO 0.18 0.14 0.04 1.49 -0.23 0.00 0.00 178.00 179.61 3dds h GLU 348 N 0.00 0.92 -0.58 0.86 4.57 -1.05 0.96 114.58 120.26 3dds h GLU 348 Ca -0.00 -0.27 -0.08 0.00 -1.18 0.00 0.00 59.36 57.82 3dds h GLU 348 Cb 0.27 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.75 3dds h GLU 348 CO 0.02 0.92 0.03 1.25 -1.18 0.00 0.00 179.01 180.04 3dds h LEU 349 N 0.80 0.97 -0.50 1.64 5.85 -0.88 -0.99 115.31 122.20 3dds h LEU 349 Ca 0.16 -0.29 0.02 0.00 0.84 0.00 0.00 57.88 58.60 3dds h LEU 349 Cb 0.48 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 3dds h LEU 349 CO 0.02 1.03 0.30 0.24 -0.34 0.00 0.00 178.44 179.68 3dds h MET 350 N 0.89 0.58 -0.33 1.25 2.86 -1.32 -0.07 114.93 118.79 3dds h MET 350 Ca 0.17 -0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.80 3dds h MET 350 Cb 0.51 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 32.01 3dds h MET 350 CO 0.02 0.38 0.14 -0.09 1.06 0.00 0.00 176.91 178.43 3dds h ARG 351 N 0.60 0.29 -0.21 1.72 2.43 -0.39 0.59 114.38 119.40 3dds h ARG 351 Ca 0.20 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.34 3dds h ARG 351 Cb 0.01 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 3dds h ARG 351 CO -0.09 0.19 0.08 0.82 -1.51 0.00 0.00 179.97 179.47 3dds h ILE 352 N 0.30 1.17 -0.29 1.20 2.04 -0.95 0.19 117.51 121.17 3dds h ILE 352 Ca 0.14 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 3dds h ILE 352 Cb 0.09 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 3dds h ILE 352 CO -0.12 0.16 0.14 -0.26 0.00 0.00 0.00 178.15 178.07 3dds h PHE 353 N 0.19 0.42 0.01 1.37 0.04 -0.77 0.01 116.94 118.21 3dds h PHE 353 Ca 0.07 -0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.82 3dds h PHE 353 Cb 0.18 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.20 3dds h PHE 353 CO -0.01 0.39 -0.00 0.28 -0.60 0.00 0.00 178.31 178.37 3dds h VAL 354 N 0.33 1.21 0.04 -0.55 2.07 -0.85 0.75 116.25 119.25 3dds h VAL 354 Ca 0.10 -1.88 -0.23 0.00 0.82 0.00 0.00 66.70 65.51 3dds h VAL 354 Cb 0.13 2.27 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 3dds h VAL 354 CO -0.01 0.41 -1.08 0.44 0.02 0.00 0.00 177.57 177.34 3dds h ASP 355 N -0.99 0.13 0.00 0.57 3.32 -0.74 -3.05 116.42 115.67 3dds h ASP 355 Ca -0.00 -0.14 -0.40 0.00 0.02 0.00 0.00 57.03 56.51 3dds h ASP 355 Cb 0.67 -0.04 -0.06 0.00 0.22 0.00 0.00 39.33 40.12 3dds h ASP 355 CO 0.00 1.11 -2.32 -0.38 -1.72 0.00 0.00 179.24 175.93 3dds n ILE 356 N -3.41 1.29 1.10 0.35 5.41 -0.83 -4.61 119.36 118.66 3dds n ILE 356 Ca -0.03 -0.34 0.13 0.00 1.00 0.00 0.00 62.75 63.51 3dds n ILE 356 Cb 0.97 -1.80 0.36 0.00 -0.71 0.00 0.00 39.64 38.45 3dds n ILE 356 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3dds n GLU 357 N -4.02 0.26 -2.19 0.38 -0.58 -0.07 -4.96 120.64 109.45 3dds n GLU 357 Ca -0.46 -0.14 -0.12 0.00 -0.42 0.00 0.00 57.16 56.02 3dds n GLU 357 Cb 0.83 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 30.20 3dds n GLU 357 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3dds n LYS 358 N -1.25 -0.98 -2.84 3.49 4.76 -0.35 -4.95 118.16 116.04 3dds n LYS 358 Ca 0.08 0.61 -0.36 0.00 -2.87 0.00 0.00 58.31 55.78 3dds n LYS 358 Cb 0.33 -4.79 -0.07 0.00 -1.84 0.00 0.00 35.03 28.66 3dds n LYS 358 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3dds s LEU 359 N -3.52 4.24 0.58 -0.35 1.43 0.11 -4.98 118.68 116.21 3dds s LEU 359 Ca 0.00 1.74 -0.20 0.00 -1.03 0.00 0.00 54.13 54.64 3dds s LEU 359 Cb 0.00 -4.08 -0.03 0.00 0.03 0.00 0.00 46.19 42.10 3dds s LEU 359 CO 0.00 -0.12 1.30 -2.84 0.23 0.00 0.00 176.35 174.92 3dds s PRO 360 N -2.32 2.94 0.21 1.29 0.02 -1.26 -4.28 135.00 131.60 3dds s PRO 360 Ca 0.52 2.08 -0.14 0.00 0.02 0.00 0.00 61.00 63.48 3dds s PRO 360 Cb -0.16 -2.07 0.23 0.00 0.02 0.00 0.00 34.50 32.52 3dds s PRO 360 CO 0.21 -1.30 1.62 2.35 -0.33 0.00 0.00 177.00 179.55 3dds h TRP 361 N 1.08 -0.41 -0.52 6.54 2.91 -1.97 -1.01 115.95 122.58 3dds h TRP 361 Ca -0.51 0.06 0.04 0.00 1.13 0.00 0.00 58.89 59.61 3dds h TRP 361 Cb 1.31 0.28 -0.04 0.00 -0.51 0.00 0.00 29.16 30.20 3dds h TRP 361 CO 0.45 -0.29 0.28 0.66 -1.03 0.00 0.00 178.44 178.51 3dds h SER 362 N -0.02 0.43 -0.10 2.65 4.64 -1.99 0.18 113.55 119.34 3dds h SER 362 Ca 0.30 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.63 3dds h SER 362 Cb 0.48 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3dds h SER 362 CO -0.66 0.30 0.02 0.50 -0.87 0.00 0.00 176.83 176.12 3dds h LYS 363 N 0.56 0.17 -0.54 4.77 1.63 -1.80 -1.86 116.57 119.50 3dds h LYS 363 Ca 0.22 -0.04 0.07 0.00 -0.85 0.00 0.00 60.65 60.05 3dds h LYS 363 Cb 0.09 -0.02 -0.06 0.00 -0.60 0.00 0.00 32.23 31.64 3dds h LYS 363 CO -0.13 0.36 0.21 0.00 -3.45 0.00 0.00 179.45 176.43 3dds h ALA 364 N 0.80 0.67 -0.56 5.00 0.00 -0.76 -1.14 119.26 123.26 3dds h ALA 364 Ca 0.03 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3dds h ALA 364 Cb 0.27 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3dds h ALA 364 CO 0.00 -0.19 0.13 2.35 0.00 0.00 0.00 179.25 181.55 3dds h TRP 365 N 0.40 0.95 -0.08 0.00 -0.00 -0.59 0.48 115.95 117.11 3dds h TRP 365 Ca 0.26 -0.12 0.04 0.00 -0.00 0.00 0.00 58.89 59.07 3dds h TRP 365 Cb 0.27 -0.27 -0.04 0.00 -0.00 0.00 0.00 29.16 29.12 3dds h TRP 365 CO -0.15 0.82 -0.16 1.49 -0.00 0.00 0.00 178.44 180.44 3dds h GLU 366 N 0.81 -0.21 -0.71 2.65 4.81 -1.01 -2.07 114.58 118.85 3dds h GLU 366 Ca 0.18 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.36 3dds h GLU 366 Cb 0.35 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.75 3dds h GLU 366 CO 0.00 -0.14 0.20 -0.07 -0.73 0.00 0.00 179.01 178.27 3dds h LEU 367 N -0.22 1.05 0.11 1.64 3.38 -0.95 -2.78 115.31 117.53 3dds h LEU 367 Ca 0.08 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 3dds h LEU 367 Cb 0.33 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3dds h LEU 367 CO -0.21 0.99 -0.08 0.74 0.09 0.00 0.00 178.44 179.97 3dds h THR 368 N 1.06 0.82 -1.00 0.22 2.02 -0.76 -1.93 112.91 113.34 3dds h THR 368 Ca 0.23 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.44 3dds h THR 368 Cb 0.33 0.82 -0.06 0.00 -1.74 0.00 0.00 68.15 67.51 3dds h THR 368 CO -0.00 0.00 0.66 1.56 0.37 0.00 0.00 175.52 178.11 3dds h GLN 369 N -0.19 1.25 0.00 6.66 4.20 -1.30 -1.85 115.11 123.88 3dds h GLN 369 Ca -0.00 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.63 3dds h GLN 369 Cb 0.17 -0.28 0.00 0.00 0.30 0.00 0.00 27.48 27.67 3dds h GLN 369 CO -0.01 0.83 0.00 0.87 -0.67 0.00 0.00 178.83 179.85 3dds h LYS 370 N 1.29 0.00 0.15 1.46 1.57 -1.28 -1.62 116.57 118.14 3dds h LYS 370 Ca 0.39 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.88 3dds h LYS 370 Cb -0.03 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.29 3dds h LYS 370 CO -0.12 0.00 -1.45 1.15 -0.57 0.00 0.00 179.45 178.47 3dds h THR 371 N 0.00 1.07 -3.01 -0.16 2.02 -0.56 -3.47 112.91 108.81 3dds h THR 371 Ca 0.00 -2.47 -0.61 0.00 0.77 0.00 0.00 66.41 64.10 3dds h THR 371 Cb 0.58 2.81 -0.05 0.00 -1.74 0.00 0.00 68.15 69.75 3dds h THR 371 CO 0.00 0.76 -0.24 -0.36 0.37 0.00 0.00 175.52 176.05 3dds s PHE 372 N -2.51 3.68 0.06 3.16 0.08 -0.86 -1.21 117.98 120.38 3dds s PHE 372 Ca -0.17 0.90 0.04 0.00 0.12 0.00 0.00 56.93 57.82 3dds s PHE 372 Cb 0.04 -2.23 -0.03 0.00 -0.57 0.00 0.00 43.02 40.24 3dds s PHE 372 CO 0.81 0.62 -0.11 0.00 -0.10 0.00 0.00 175.22 176.44 3dds s ALA 373 N -1.16 0.89 -0.09 5.36 0.00 -0.81 -1.58 121.76 124.37 3dds s ALA 373 Ca 0.25 -0.88 0.03 0.00 0.00 0.00 0.00 51.96 51.37 3dds s ALA 373 Cb -0.16 -0.04 0.01 0.00 0.00 0.00 0.00 23.12 22.94 3dds s ALA 373 CO 0.14 0.08 -0.17 -0.47 0.00 0.00 0.00 175.76 175.34 3dds s TYR 374 N -1.29 2.04 -0.27 0.00 5.04 -0.56 -0.59 117.35 121.73 3dds s TYR 374 Ca -0.05 -0.87 -0.09 0.00 -2.44 0.00 0.00 57.07 53.62 3dds s TYR 374 Cb -0.10 -1.43 -0.03 0.00 0.35 0.00 0.00 41.96 40.76 3dds s TYR 374 CO 0.01 -0.40 0.11 0.99 -1.34 0.00 0.00 175.55 174.92 3dds s THR 375 N 0.67 4.56 -0.10 4.34 2.01 -0.77 -1.20 115.64 125.15 3dds s THR 375 Ca -0.13 -0.19 -0.21 0.00 0.31 0.00 0.00 61.69 61.47 3dds s THR 375 Cb -0.16 -3.20 -0.04 0.00 0.01 0.00 0.00 72.50 69.11 3dds s THR 375 CO 0.03 0.24 0.60 0.21 -0.69 0.00 0.00 174.62 175.02 3dds s ASN 376 N 1.64 6.83 0.00 3.53 3.84 -0.02 -1.40 114.94 129.36 3dds s ASN 376 Ca 0.06 0.99 0.08 0.00 0.21 0.00 0.00 52.86 54.20 3dds s ASN 376 Cb -0.16 -2.35 0.08 0.00 -0.55 0.00 0.00 41.25 38.27 3dds s ASN 376 CO 0.06 -0.08 0.80 1.41 -2.79 0.00 0.00 177.10 176.49 3dds n HIS 377 N 3.85 0.03 -3.56 0.43 8.25 -1.26 -4.12 115.22 118.84 3dds n HIS 377 Ca -0.04 -0.05 -0.11 0.00 -0.26 0.00 0.00 57.72 57.27 3dds n HIS 377 Cb 0.51 -0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.57 3dds n HIS 377 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 3dds s THR 378 N -0.70 0.00 -0.79 1.59 -1.32 -1.26 -4.59 115.64 108.56 3dds s THR 378 Ca 0.10 0.00 0.09 0.00 -1.21 0.00 0.00 61.69 60.67 3dds s THR 378 Cb 0.07 -1.00 0.23 0.00 -1.51 0.00 0.00 72.50 70.29 3dds s THR 378 CO 0.10 0.00 1.16 1.33 -2.21 0.00 0.00 174.62 175.00 3dds n VAL 379 N 0.62 0.89 -2.37 5.08 0.24 -1.26 -5.00 118.33 116.53 3dds n VAL 379 Ca -0.11 -0.94 -0.43 0.00 -2.04 0.00 0.00 64.34 60.82 3dds n VAL 379 Cb 0.58 0.58 -0.02 0.00 -1.47 0.00 0.00 33.84 33.51 3dds n VAL 379 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3dds s LEU 380 N -0.97 4.22 0.46 1.34 1.43 -1.26 -4.92 118.68 118.97 3dds s LEU 380 Ca 0.18 1.80 0.12 0.00 -1.03 0.00 0.00 54.13 55.20 3dds s LEU 380 Cb 0.09 -3.54 1.06 0.00 0.03 0.00 0.00 46.19 43.83 3dds s LEU 380 CO 0.13 -0.75 2.07 1.55 0.23 0.00 0.00 176.35 179.58 3dds h PRO 381 N 8.21 0.30 0.00 1.29 0.13 -1.97 -1.41 132.00 138.54 3dds h PRO 381 Ca -0.30 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 3dds h PRO 381 Cb 1.13 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3dds h PRO 381 CO 0.95 0.20 0.00 -0.85 -0.23 0.00 0.00 178.00 178.07 3dds n GLU 382 N -4.49 0.15 0.00 0.86 0.00 -1.26 -2.33 120.64 113.58 3dds n GLU 382 Ca 0.03 0.42 0.12 0.00 0.00 0.00 0.00 57.16 57.73 3dds n GLU 382 Cb 0.16 -1.81 0.18 0.00 0.00 0.00 0.00 31.44 29.96 3dds n GLU 382 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3dds n ALA 383 N -1.72 3.74 -2.57 -1.84 0.00 -0.53 -1.06 120.51 116.53 3dds n ALA 383 Ca 0.02 -0.42 -0.42 0.00 0.00 0.00 0.00 53.44 52.62 3dds n ALA 383 Cb 0.19 -1.04 -0.03 0.00 0.00 0.00 0.00 19.45 18.57 3dds n ALA 383 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3dds s LEU 384 N -2.91 4.39 -0.33 0.00 1.43 -0.98 -4.22 118.68 116.05 3dds s LEU 384 Ca 0.12 1.79 -0.27 0.00 -1.03 0.00 0.00 54.13 54.74 3dds s LEU 384 Cb 0.17 -3.58 0.01 0.00 0.03 0.00 0.00 46.19 42.83 3dds s LEU 384 CO 0.71 -0.30 0.96 -1.61 0.23 0.00 0.00 176.35 176.34 3dds s GLU 385 N 0.88 3.99 -0.32 1.70 2.02 -1.26 -4.76 118.70 120.94 3dds s GLU 385 Ca 0.53 0.83 -0.01 0.00 0.02 0.00 0.00 54.97 56.34 3dds s GLU 385 Cb -0.24 -3.75 0.10 0.00 0.10 0.00 0.00 34.13 30.35 3dds s GLU 385 CO 0.29 -0.85 0.12 1.03 0.02 0.00 0.00 175.26 175.86 3dds s ARG 386 N 3.43 0.65 -0.05 1.61 0.52 -1.26 -2.64 118.95 121.21 3dds s ARG 386 Ca 0.40 -1.06 -0.24 0.00 -0.52 0.00 0.00 55.73 54.31 3dds s ARG 386 Cb -0.13 -1.82 -0.04 0.00 0.52 0.00 0.00 34.95 33.48 3dds s ARG 386 CO 0.15 -1.02 0.72 -1.58 0.02 0.00 0.00 175.30 173.60 3dds s TRP 387 N 1.58 3.61 0.26 -0.53 0.52 -1.06 -4.74 118.94 118.57 3dds s TRP 387 Ca 0.11 1.30 -0.31 0.00 0.02 0.00 0.00 56.10 57.22 3dds s TRP 387 Cb -0.18 -2.82 -0.12 0.00 -1.15 0.00 0.00 33.47 29.20 3dds s TRP 387 CO -0.24 0.11 1.58 -2.30 0.02 0.00 0.00 176.95 176.12 3dds n PRO 388 N 3.64 2.54 -0.15 4.98 -0.02 -1.26 -0.31 135.00 144.42 3dds n PRO 388 Ca -0.01 0.91 0.01 0.00 -2.02 0.00 0.00 63.50 62.39 3dds n PRO 388 Cb 0.51 -2.68 0.28 0.00 -0.02 0.00 0.00 33.50 31.60 3dds n PRO 388 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 3dds h VAL 389 N 3.38 1.18 -0.33 -1.45 -1.51 -1.66 -2.38 116.25 113.47 3dds h VAL 389 Ca -0.46 -0.39 -0.06 0.00 -1.23 0.00 0.00 66.70 64.57 3dds h VAL 389 Cb 1.23 0.29 -0.02 0.00 -2.13 0.00 0.00 31.29 30.66 3dds h VAL 389 CO 0.82 0.18 -0.05 0.44 -1.23 0.00 0.00 177.57 177.73 3dds h ASP 390 N 0.86 0.51 -0.25 4.19 5.19 -1.91 0.28 116.42 125.29 3dds h ASP 390 Ca 0.23 -0.11 -0.06 0.00 -0.62 0.00 0.00 57.03 56.47 3dds h ASP 390 Cb -0.04 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.33 3dds h ASP 390 CO -0.04 0.61 -0.08 0.25 -3.12 0.00 0.00 179.24 176.86 3dds h LEU 391 N 0.50 0.50 -0.70 1.55 5.85 -1.82 -2.19 115.31 119.00 3dds h LEU 391 Ca 0.10 -0.38 -0.11 0.00 0.84 0.00 0.00 57.88 58.33 3dds h LEU 391 Cb 0.40 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 3dds h LEU 391 CO 0.02 0.76 -0.19 0.58 -0.34 0.00 0.00 178.44 179.27 3dds h VAL 392 N 0.23 1.27 -0.76 1.05 2.07 -1.18 -2.00 116.25 116.93 3dds h VAL 392 Ca 0.06 -1.30 0.01 0.00 0.82 0.00 0.00 66.70 66.29 3dds h VAL 392 Cb 0.55 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 3dds h VAL 392 CO 0.03 0.44 0.50 -0.08 0.02 0.00 0.00 177.57 178.47 3dds h GLU 393 N 0.70 1.00 -0.05 1.57 4.81 -0.38 0.22 114.58 122.45 3dds h GLU 393 Ca 0.10 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 3dds h GLU 393 Cb 0.70 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.86 3dds h GLU 393 CO 0.05 0.67 -0.02 -0.22 -0.73 0.00 0.00 179.01 178.76 3dds h LYS 394 N 1.03 0.10 0.19 1.92 3.64 -1.27 -3.15 116.57 119.03 3dds h LYS 394 Ca 0.28 -0.04 -0.32 0.00 -1.27 0.00 0.00 60.65 59.30 3dds h LYS 394 Cb -0.11 -0.00 0.02 0.00 -0.41 0.00 0.00 32.23 31.72 3dds h LYS 394 CO -0.06 0.48 -1.47 1.25 -2.27 0.00 0.00 179.45 177.38 3dds h LEU 395 N -0.29 0.63 -5.97 5.20 5.85 -1.25 -3.38 115.31 116.10 3dds h LEU 395 Ca 0.01 -0.74 -0.52 0.00 0.84 0.00 0.00 57.88 57.48 3dds h LEU 395 Cb 0.45 -0.20 -0.40 0.00 0.37 0.00 0.00 40.66 40.88 3dds h LEU 395 CO 0.01 1.59 -1.12 0.18 -0.34 0.00 0.00 178.44 178.76 3dds n LEU 396 N -3.60 0.92 -0.13 2.25 4.77 0.76 -0.23 117.00 121.73 3dds n LEU 396 Ca -0.16 -4.96 0.05 0.00 -0.03 0.00 0.00 56.01 50.92 3dds n LEU 396 Cb 1.07 0.57 0.37 0.00 -2.33 0.00 0.00 43.42 43.10 3dds n LEU 396 CO 0.56 2.21 1.20 1.55 -1.33 0.00 0.00 177.39 181.58 3dds h PRO 397 N 3.38 0.70 -0.13 3.23 0.13 -1.59 -1.47 132.00 136.25 3dds h PRO 397 Ca 0.10 -0.04 -0.15 0.00 -0.87 0.00 0.00 66.00 65.03 3dds h PRO 397 Cb 0.90 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.87 3dds h PRO 397 CO 0.52 0.46 -0.58 -0.09 -0.23 0.00 0.00 178.00 178.08 3dds h ARG 398 N 0.72 0.41 -0.33 0.86 9.65 -1.90 -2.48 114.38 121.30 3dds h ARG 398 Ca 0.26 -0.27 -0.10 0.00 -1.10 0.00 0.00 59.98 58.77 3dds h ARG 398 Cb 0.14 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.74 3dds h ARG 398 CO -0.08 0.87 -0.21 0.45 2.80 0.00 0.00 179.97 183.80 3dds h HIS 399 N 0.31 0.72 -0.36 2.20 3.86 -1.66 -1.79 115.15 118.43 3dds h HIS 399 Ca -0.00 -0.15 -0.03 0.00 -1.16 0.00 0.00 60.37 59.03 3dds h HIS 399 Cb 1.10 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 29.38 3dds h HIS 399 CO 0.04 0.80 0.12 1.25 0.86 0.00 0.00 177.93 181.00 3dds h LEU 400 N 0.57 0.51 -0.50 2.43 5.85 -1.19 0.46 115.31 123.43 3dds h LEU 400 Ca 0.08 -0.19 0.08 0.00 0.84 0.00 0.00 57.88 58.69 3dds h LEU 400 Cb 0.68 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.51 3dds h LEU 400 CO 0.05 0.56 0.13 -0.33 -0.34 0.00 0.00 178.44 178.51 3dds h GLU 401 N 0.42 0.27 -0.57 1.25 5.08 -1.24 0.83 114.58 120.63 3dds h GLU 401 Ca 0.12 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.36 3dds h GLU 401 Cb 0.23 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 3dds h GLU 401 CO -0.01 0.18 -0.04 0.82 -1.00 0.00 0.00 179.01 178.96 3dds h ILE 402 N 0.27 1.26 -0.65 3.13 2.04 -1.05 -1.67 117.51 120.85 3dds h ILE 402 Ca 0.25 -1.18 -0.08 0.00 1.00 0.00 0.00 64.86 64.85 3dds h ILE 402 Cb 0.32 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 3dds h ILE 402 CO -0.30 0.42 0.08 0.40 0.00 0.00 0.00 178.15 178.75 3dds h ILE 403 N 0.92 1.26 -0.87 -0.67 2.04 -0.41 -0.33 117.51 119.45 3dds h ILE 403 Ca 0.16 -1.07 -0.02 0.00 1.00 0.00 0.00 64.86 64.92 3dds h ILE 403 Cb 0.59 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.31 3dds h ILE 403 CO 0.04 0.40 0.46 1.88 0.00 0.00 0.00 178.15 180.93 3dds h TYR 404 N 1.01 1.21 -0.30 1.37 0.05 -0.60 -1.01 116.97 118.70 3dds h TYR 404 Ca 0.19 -0.04 -0.13 0.00 0.05 0.00 0.00 58.73 58.80 3dds h TYR 404 Cb 0.48 -0.38 -0.00 0.00 1.01 0.00 0.00 36.73 37.83 3dds h TYR 404 CO 0.04 0.85 -0.34 1.49 -1.05 0.00 0.00 178.16 179.14 3dds h GLU 405 N 1.22 0.76 -0.54 4.88 4.57 -1.04 0.55 114.58 124.98 3dds h GLU 405 Ca 0.30 -0.42 0.07 0.00 -1.18 0.00 0.00 59.36 58.14 3dds h GLU 405 Cb 0.05 0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 28.60 3dds h GLU 405 CO -0.05 1.04 0.21 0.82 -1.18 0.00 0.00 179.01 179.85 3dds h ILE 406 N 0.52 0.83 -0.61 2.32 2.04 -0.97 -2.22 117.51 119.42 3dds h ILE 406 Ca 0.04 -0.14 -0.05 0.00 1.00 0.00 0.00 64.86 65.71 3dds h ILE 406 Cb 0.92 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 3dds h ILE 406 CO 0.08 0.07 0.18 -1.13 0.00 0.00 0.00 178.15 177.35 3dds h ASN 407 N 0.40 0.91 0.08 1.72 -1.24 -0.90 -1.71 115.58 114.83 3dds h ASN 407 Ca 0.26 -0.22 -0.00 0.00 0.71 0.00 0.00 56.30 57.05 3dds h ASN 407 Cb 0.28 -0.24 0.00 0.00 0.73 0.00 0.00 38.32 39.09 3dds h ASN 407 CO -0.25 0.88 -0.04 -0.61 -1.29 0.00 0.00 177.43 176.12 3dds h GLN 408 N 0.88 -0.10 -0.05 6.67 5.75 -0.59 0.52 115.11 128.19 3dds h GLN 408 Ca 0.20 0.01 -0.05 0.00 -0.15 0.00 0.00 58.65 58.65 3dds h GLN 408 Cb 0.31 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.87 3dds h GLN 408 CO -0.00 -0.04 -0.20 0.87 -2.65 0.00 0.00 178.83 176.81 3dds h LYS 409 N -0.14 0.09 0.29 1.69 1.57 -1.41 -0.37 116.57 118.29 3dds h LYS 409 Ca -0.01 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 3dds h LYS 409 Cb 0.11 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.41 3dds h LYS 409 CO 0.02 0.29 -0.14 1.25 -0.57 0.00 0.00 179.45 180.30 3dds h HIS 410 N 0.08 -0.36 -0.12 -1.35 2.76 -0.89 -3.00 115.15 112.27 3dds h HIS 410 Ca 0.01 -0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.07 3dds h HIS 410 Cb 0.40 0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.47 3dds h HIS 410 CO 0.00 -0.06 -0.38 -0.07 -1.30 0.00 0.00 177.93 176.12 3dds h LEU 411 N -0.66 0.28 -0.73 0.26 3.38 -0.70 -2.50 115.31 114.64 3dds h LEU 411 Ca -0.04 -0.11 0.07 0.00 0.09 0.00 0.00 57.88 57.89 3dds h LEU 411 Cb 0.46 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.07 3dds h LEU 411 CO 0.07 0.64 0.41 0.44 0.09 0.00 0.00 178.44 180.08 3dds h ASP 412 N 0.23 0.60 -0.72 -0.43 3.32 -1.12 0.37 116.42 118.66 3dds h ASP 412 Ca 0.02 0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.06 3dds h ASP 412 Cb 0.78 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.22 3dds h ASP 412 CO 0.06 0.37 0.27 -0.09 -1.72 0.00 0.00 179.24 178.13 3dds h ARG 413 N 0.73 1.10 -0.41 3.56 2.43 -1.31 -1.75 114.38 118.73 3dds h ARG 413 Ca 0.33 -0.21 -0.04 0.00 -0.81 0.00 0.00 59.98 59.25 3dds h ARG 413 Cb 0.24 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 3dds h ARG 413 CO -0.20 0.91 0.08 0.82 -1.51 0.00 0.00 179.97 180.08 3dds h ILE 414 N 1.05 1.24 -0.68 1.20 2.04 -0.99 -1.92 117.51 119.45 3dds h ILE 414 Ca 0.24 -0.83 -0.02 0.00 1.00 0.00 0.00 64.86 65.26 3dds h ILE 414 Cb 0.24 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 3dds h ILE 414 CO -0.02 0.29 0.36 0.58 0.00 0.00 0.00 178.15 179.36 3dds h VAL 415 N 0.52 1.21 -0.25 1.67 2.07 -0.86 0.15 116.25 120.76 3dds h VAL 415 Ca 0.13 -0.53 -0.07 0.00 0.82 0.00 0.00 66.70 67.05 3dds h VAL 415 Cb 0.34 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 3dds h VAL 415 CO 0.00 0.23 -0.14 0.00 0.02 0.00 0.00 177.57 177.69 3dds h ALA 416 N 1.45 1.30 0.00 1.67 0.00 -0.96 -2.58 119.26 120.14 3dds h ALA 416 Ca 0.24 -0.26 -0.23 0.00 0.00 0.00 0.00 54.91 54.66 3dds h ALA 416 Cb 0.04 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3dds h ALA 416 CO -0.04 0.46 -1.63 1.28 0.00 0.00 0.00 179.25 179.33 3dds n LEU 417 N -4.21 0.79 -3.21 0.00 4.77 -0.75 -4.63 117.00 109.75 3dds n LEU 417 Ca 0.00 0.36 -0.24 0.00 -0.03 0.00 0.00 56.01 56.10 3dds n LEU 417 Cb 0.32 0.15 -0.07 0.00 -2.33 0.00 0.00 43.42 41.48 3dds n LEU 417 CO 0.40 0.28 -0.25 0.49 -1.33 0.00 0.00 177.39 176.97 3dds n PHE 418 N -2.94 0.14 0.10 -1.77 3.72 0.49 -4.99 117.46 112.22 3dds n PHE 418 Ca -0.14 -3.64 0.14 0.00 -0.05 0.00 0.00 57.45 53.75 3dds n PHE 418 Cb 0.95 -0.38 0.65 0.00 -0.94 0.00 0.00 39.48 39.77 3dds n PHE 418 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3dds h PRO 419 N 3.95 0.04 -0.00 -1.08 0.11 -1.68 -2.06 132.00 131.28 3dds h PRO 419 Ca 0.09 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 3dds h PRO 419 Cb 0.86 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.96 3dds h PRO 419 CO 0.51 0.02 -0.51 1.63 -0.21 0.00 0.00 178.00 179.44 3dds n LYS 420 N -4.45 0.18 -3.14 1.05 4.01 -1.26 -4.74 118.16 109.81 3dds n LYS 420 Ca 0.04 -0.11 -0.45 0.00 -0.51 0.00 0.00 58.31 57.29 3dds n LYS 420 Cb 0.36 -1.50 -0.01 0.00 -0.51 0.00 0.00 35.03 33.38 3dds n LYS 420 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 3dds s ASP 421 N -2.90 7.07 0.15 4.39 -1.08 -0.77 -4.84 116.67 118.69 3dds s ASP 421 Ca 0.13 -3.06 -0.10 0.00 -0.52 0.00 0.00 52.55 49.01 3dds s ASP 421 Cb 0.18 -2.31 -0.01 0.00 -1.46 0.00 0.00 42.92 39.32 3dds s ASP 421 CO 0.68 -0.60 1.50 0.58 0.52 0.00 0.00 175.17 177.86 3dds h VAL 422 N 4.46 1.27 0.00 1.11 2.07 -1.85 -3.05 116.25 120.27 3dds h VAL 422 Ca 0.22 -1.52 -0.06 0.00 0.82 0.00 0.00 66.70 66.17 3dds h VAL 422 Cb 0.91 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 3dds h VAL 422 CO 1.08 0.51 -0.26 -0.78 0.02 0.00 0.00 177.57 178.14 3dds h ASP 423 N 0.77 0.00 -0.29 0.57 3.58 -1.99 -2.81 116.42 116.25 3dds h ASP 423 Ca 0.07 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.44 3dds h ASP 423 Cb 0.93 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.96 3dds h ASP 423 CO 0.09 0.26 -0.08 -0.09 -2.88 0.00 0.00 179.24 176.54 3dds h ARG 424 N 0.00 0.68 -0.07 0.28 2.43 -1.94 -0.85 114.38 114.91 3dds h ARG 424 Ca -0.00 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 3dds h ARG 424 Cb 0.63 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.11 3dds h ARG 424 CO 0.03 0.76 0.05 -0.07 -1.51 0.00 0.00 179.97 179.23 3dds h LEU 425 N 0.63 0.08 -0.51 3.80 3.38 -1.54 -1.10 115.31 120.06 3dds h LEU 425 Ca 0.12 -0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.15 3dds h LEU 425 Cb 0.51 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 3dds h LEU 425 CO 0.03 0.06 0.20 -0.09 0.09 0.00 0.00 178.44 178.73 3dds h ARG 426 N 0.10 0.37 -0.21 1.13 2.43 -1.47 -0.92 114.38 115.81 3dds h ARG 426 Ca 0.03 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 3dds h ARG 426 Cb -0.01 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 3dds h ARG 426 CO -0.01 0.25 -0.23 0.00 -1.51 0.00 0.00 179.97 178.47 3dds h ARG 427 N 0.38 0.38 0.00 0.20 3.08 -0.92 -3.25 114.38 114.25 3dds h ARG 427 Ca 0.24 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3dds h ARG 427 Cb 0.24 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.26 3dds h ARG 427 CO -0.23 0.59 -1.01 -1.33 -1.07 0.00 0.00 179.97 176.92 3dds n MET 428 N -4.15 0.10 -1.70 0.04 2.81 -0.44 -4.97 117.12 108.80 3dds n MET 428 Ca -0.00 -0.02 -0.39 0.00 -1.81 0.00 0.00 57.70 55.48 3dds n MET 428 Cb 0.37 -1.51 0.04 0.00 -0.71 0.00 0.00 33.22 31.40 3dds n MET 428 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3dds n SER 429 N -1.63 2.24 0.20 7.83 2.88 -0.38 -4.89 113.62 119.88 3dds n SER 429 Ca 0.03 0.98 0.14 0.00 -1.33 0.00 0.00 58.87 58.69 3dds n SER 429 Cb 0.37 -1.52 0.50 0.00 -0.75 0.00 0.00 64.21 62.81 3dds n SER 429 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3dds h LEU 430 N 1.41 0.00 -8.94 2.46 3.38 -1.91 -3.44 115.31 108.27 3dds h LEU 430 Ca -0.49 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 56.85 3dds h LEU 430 Cb 1.31 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.88 3dds h LEU 430 CO 0.57 0.00 -0.61 -0.63 0.09 0.00 0.00 178.44 177.86 3dds s ILE 431 N -3.41 4.40 -0.26 1.22 -1.09 -1.26 0.04 121.20 120.84 3dds s ILE 431 Ca 0.04 -0.17 -0.16 0.00 -2.23 0.00 0.00 60.65 58.13 3dds s ILE 431 Cb 0.09 -2.97 -0.03 0.00 -1.58 0.00 0.00 42.46 37.96 3dds s ILE 431 CO 0.53 0.46 0.44 -1.61 -1.23 0.00 0.00 174.94 173.53 3dds s GLU 432 N 0.53 4.06 0.00 2.79 2.02 0.85 -4.95 118.70 123.99 3dds s GLU 432 Ca 0.01 0.18 0.25 0.00 0.02 0.00 0.00 54.97 55.43 3dds s GLU 432 Cb -0.13 -3.64 0.51 0.00 0.10 0.00 0.00 34.13 30.97 3dds s GLU 432 CO 0.02 -0.28 1.42 0.39 0.02 0.00 0.00 175.26 176.82 3dds n GLU 433 N 5.33 1.04 -2.09 1.61 4.71 -1.26 -1.38 120.64 128.60 3dds n GLU 433 Ca -0.07 -0.71 -0.28 0.00 -0.01 0.00 0.00 57.16 56.09 3dds n GLU 433 Cb 0.50 -1.49 -0.05 0.00 -1.01 0.00 0.00 31.44 29.39 3dds n GLU 433 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 3dds s GLU 434 N -2.45 2.58 2.81 3.49 8.01 -1.26 -4.63 118.70 127.25 3dds s GLU 434 Ca 0.23 -0.88 0.00 0.00 0.01 0.00 0.00 54.97 54.33 3dds s GLU 434 Cb 0.19 -5.19 0.00 0.00 -4.31 0.00 0.00 34.13 24.82 3dds s GLU 434 CO 0.52 -3.68 0.00 0.41 0.01 0.00 0.00 175.26 172.52 3dds n GLY 435 N 6.19 1.76 3.64 -1.39 0.00 -1.26 -4.70 105.19 109.42 3dds n GLY 435 Ca 0.43 -0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 3dds n GLY 435 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dds s SER 436 N -4.00 6.61 0.25 1.61 0.15 -1.26 -5.00 113.70 112.06 3dds s SER 436 Ca 0.00 1.46 -0.30 0.00 0.70 0.00 0.00 55.95 57.81 3dds s SER 436 Cb 0.00 -2.54 -0.09 0.00 -1.71 0.00 0.00 66.02 61.68 3dds s SER 436 CO 0.00 -1.09 1.10 -0.54 1.20 0.00 0.00 173.24 173.91 3dds s LYS 437 N 4.23 4.63 0.04 5.44 1.02 -1.26 -4.80 119.74 129.05 3dds s LYS 437 Ca 0.62 1.77 0.01 0.00 0.02 0.00 0.00 55.97 58.39 3dds s LYS 437 Cb -0.21 -3.22 -0.03 0.00 -0.52 0.00 0.00 37.83 33.86 3dds s LYS 437 CO 0.24 0.18 -0.05 1.03 -0.92 0.00 0.00 175.35 175.83 3dds s ARG 438 N -1.13 0.50 -0.23 1.68 0.52 -0.48 -1.68 118.95 118.13 3dds s ARG 438 Ca 0.46 -0.86 -0.14 0.00 -0.52 0.00 0.00 55.73 54.66 3dds s ARG 438 Cb -0.31 -0.03 -0.04 0.00 0.52 0.00 0.00 34.95 35.09 3dds s ARG 438 CO 0.39 -0.03 0.32 0.42 0.02 0.00 0.00 175.30 176.43 3dds s ILE 439 N -2.19 5.24 -0.73 1.52 1.01 0.57 -0.11 121.20 126.51 3dds s ILE 439 Ca -0.06 0.52 -0.27 0.00 0.00 0.00 0.00 60.65 60.84 3dds s ILE 439 Cb -0.05 -3.66 0.03 0.00 0.01 0.00 0.00 42.46 38.80 3dds s ILE 439 CO -0.03 0.25 1.28 0.21 0.00 0.00 0.00 174.94 176.66 3dds s ASN 440 N 1.21 6.16 0.36 3.58 3.84 0.11 -2.55 114.94 127.64 3dds s ASN 440 Ca 0.15 -0.42 0.11 0.00 0.21 0.00 0.00 52.86 52.91 3dds s ASN 440 Cb -0.15 -2.56 0.67 0.00 -0.55 0.00 0.00 41.25 38.66 3dds s ASN 440 CO 0.08 -1.83 1.81 0.24 -2.79 0.00 0.00 177.10 174.61 3dds h MET 441 N 10.06 0.09 -0.61 0.43 2.86 -1.80 -2.33 114.93 123.63 3dds h MET 441 Ca -0.28 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.33 3dds h MET 441 Cb 1.05 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.68 3dds h MET 441 CO 1.28 0.43 0.40 0.00 1.06 0.00 0.00 176.91 180.07 3dds h ALA 442 N 1.57 0.78 -0.70 6.32 0.00 -1.91 -0.59 119.26 124.74 3dds h ALA 442 Ca 0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3dds h ALA 442 Cb 0.64 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3dds h ALA 442 CO 0.05 0.23 0.42 0.45 0.00 0.00 0.00 179.25 180.40 3dds h HIS 443 N 0.83 0.93 -0.41 0.00 3.86 -1.81 -0.27 115.15 118.28 3dds h HIS 443 Ca 0.22 -0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.46 3dds h HIS 443 Cb -0.07 -0.30 -0.04 0.00 1.06 0.00 0.00 27.41 28.06 3dds h HIS 443 CO -0.03 0.63 0.20 1.25 0.86 0.00 0.00 177.93 180.84 3dds h LEU 444 N 0.96 0.28 -1.05 2.43 5.85 -1.06 -2.14 115.31 120.59 3dds h LEU 444 Ca 0.25 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.96 3dds h LEU 444 Cb -0.03 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 3dds h LEU 444 CO -0.05 0.21 0.29 0.00 -0.34 0.00 0.00 178.44 178.55 3dds h ILE 446 N 0.96 1.19 0.00 0.00 2.04 -0.69 -2.67 117.51 118.34 3dds h ILE 446 Ca 0.23 -0.57 -0.11 0.00 1.00 0.00 0.00 64.86 65.42 3dds h ILE 446 Cb 0.15 1.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 3dds h ILE 446 CO -0.02 0.15 -0.52 -0.37 0.00 0.00 0.00 178.15 177.39 3dds h VAL 447 N -0.20 1.32 -0.23 1.67 -1.51 -1.31 -3.12 116.25 112.86 3dds h VAL 447 Ca 0.01 -1.80 0.00 0.00 -1.23 0.00 0.00 66.70 63.67 3dds h VAL 447 Cb 0.24 1.99 0.00 0.00 -2.13 0.00 0.00 31.29 31.39 3dds h VAL 447 CO 0.00 0.51 0.00 0.61 -1.23 0.00 0.00 177.57 177.46 3dds n GLY 448 N 0.05 0.74 3.36 5.19 0.00 -0.80 -4.91 105.19 108.82 3dds n GLY 448 Ca -0.01 -0.52 -0.28 0.00 0.00 0.00 0.00 46.02 45.21 3dds n GLY 448 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3dds s SER 449 N -1.54 3.14 0.32 1.61 0.01 -1.01 -3.83 113.70 112.40 3dds s SER 449 Ca 0.34 -0.72 0.23 0.00 1.31 0.00 0.00 55.95 57.11 3dds s SER 449 Cb 0.19 -0.21 0.21 0.00 0.21 0.00 0.00 66.02 66.42 3dds s SER 449 CO 0.28 0.17 1.36 1.12 0.41 0.00 0.00 173.24 176.58 3dds h HIS 450 N 4.04 0.00 -3.72 2.43 2.07 -0.26 -3.46 115.15 116.24 3dds h HIS 450 Ca -0.49 0.00 -0.22 0.00 -2.85 0.00 0.00 60.37 56.81 3dds h HIS 450 Cb 1.17 0.00 -0.27 0.00 2.57 0.00 0.00 27.41 30.88 3dds h HIS 450 CO 0.59 0.00 -0.70 0.00 -3.07 0.00 0.00 177.93 174.75 3dds s ALA 451 N -3.27 -0.02 -0.07 6.11 0.00 -1.26 -4.62 121.76 118.63 3dds s ALA 451 Ca 0.04 -0.04 0.03 0.00 0.00 0.00 0.00 51.96 51.99 3dds s ALA 451 Cb 0.07 -0.00 0.01 0.00 0.00 0.00 0.00 23.12 23.20 3dds s ALA 451 CO 0.72 -0.03 -0.14 0.08 0.00 0.00 0.00 175.76 176.39 3dds s VAL 452 N -0.19 1.25 0.03 0.00 1.01 -0.06 -1.49 120.40 120.95 3dds s VAL 452 Ca -0.02 -0.56 0.04 0.00 0.00 0.00 0.00 61.98 61.44 3dds s VAL 452 Cb -0.01 -1.12 -0.02 0.00 0.00 0.00 0.00 36.38 35.22 3dds s VAL 452 CO -0.00 0.38 -0.11 0.54 0.00 0.00 0.00 175.10 175.91 3dds s ASN 453 N 0.55 1.28 0.71 3.32 4.22 -0.34 -0.10 114.94 124.58 3dds s ASN 453 Ca -0.14 -0.40 0.01 0.00 -2.14 0.00 0.00 52.86 50.19 3dds s ASN 453 Cb -0.15 -0.07 0.14 0.00 1.28 0.00 0.00 41.25 42.44 3dds s ASN 453 CO 0.04 -0.01 0.94 0.61 -2.04 0.00 0.00 177.10 176.65 3dds n GLY 454 N 2.04 0.77 0.21 0.45 0.00 -1.00 -0.84 105.19 106.81 3dds n GLY 454 Ca -0.18 -2.05 0.02 0.00 0.00 0.00 0.00 46.02 43.82 3dds n GLY 454 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3dds n VAL 455 N -2.75 0.67 -3.49 1.61 0.24 -1.26 -2.01 118.33 111.34 3dds n VAL 455 Ca 0.16 -0.83 -0.11 0.00 -2.04 0.00 0.00 64.34 61.52 3dds n VAL 455 Cb 0.57 0.69 -0.03 0.00 -1.47 0.00 0.00 33.84 33.60 3dds n VAL 455 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dds s ALA 456 N -0.78 -1.77 0.18 2.33 0.00 -1.26 -1.07 121.76 119.38 3dds s ALA 456 Ca 0.07 0.98 -0.13 0.00 0.00 0.00 0.00 51.96 52.89 3dds s ALA 456 Cb 0.04 0.35 0.16 0.00 0.00 0.00 0.00 23.12 23.68 3dds s ALA 456 CO 0.06 -0.63 1.74 0.87 0.00 0.00 0.00 175.76 177.80 3dds h LYS 457 N 2.18 0.29 -0.91 0.00 1.57 -1.89 0.21 116.57 118.01 3dds h LYS 457 Ca -0.25 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.49 3dds h LYS 457 Cb 1.24 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 33.44 3dds h LYS 457 CO 0.34 0.19 0.51 0.97 -0.57 0.00 0.00 179.45 180.89 3dds h ILE 458 N 0.30 1.26 -0.03 1.86 2.10 -1.90 -1.86 117.51 119.25 3dds h ILE 458 Ca 0.23 -0.64 -0.07 0.00 1.08 0.00 0.00 64.86 65.47 3dds h ILE 458 Cb 0.27 0.02 0.00 0.00 -1.09 0.00 0.00 36.82 36.01 3dds h ILE 458 CO -0.26 0.29 -0.24 -0.74 -1.08 0.00 0.00 178.15 176.12 3dds h HIS 459 N 1.28 0.30 -0.85 2.19 2.76 -1.52 -2.75 115.15 116.55 3dds h HIS 459 Ca 0.32 -0.14 0.03 0.00 -2.20 0.00 0.00 60.37 58.38 3dds h HIS 459 Cb 0.01 -0.04 -0.05 0.00 1.55 0.00 0.00 27.41 28.88 3dds h HIS 459 CO 0.01 0.89 0.56 0.77 -1.30 0.00 0.00 177.93 178.86 3dds h SER 460 N -0.37 0.92 -0.46 3.26 0.02 -0.53 0.29 113.55 116.68 3dds h SER 460 Ca -0.02 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 3dds h SER 460 Cb 0.93 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.24 3dds h SER 460 CO 0.05 0.63 0.20 -0.78 -1.14 0.00 0.00 176.83 175.79 3dds h ASP 461 N 1.06 0.61 -0.60 3.07 3.58 -1.38 -1.53 116.42 121.23 3dds h ASP 461 Ca 0.34 -0.15 -0.04 0.00 0.42 0.00 0.00 57.03 57.60 3dds h ASP 461 Cb 0.03 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 40.89 3dds h ASP 461 CO -0.10 0.59 0.22 0.40 -2.88 0.00 0.00 179.24 177.47 3dds h ILE 462 N 0.60 1.24 -0.38 2.25 2.04 -1.09 -0.11 117.51 122.05 3dds h ILE 462 Ca 0.16 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.25 3dds h ILE 462 Cb 0.15 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 3dds h ILE 462 CO -0.02 0.30 0.24 0.58 0.00 0.00 0.00 178.15 179.25 3dds h VAL 463 N 0.85 1.11 0.06 1.67 2.07 -0.85 -0.91 116.25 120.24 3dds h VAL 463 Ca 0.20 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 3dds h VAL 463 Cb 0.24 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 3dds h VAL 463 CO -0.01 0.11 -0.03 0.50 0.02 0.00 0.00 177.57 178.16 3dds h LYS 464 N 0.51 -0.07 0.00 1.57 3.64 -1.17 -0.21 116.57 120.83 3dds h LYS 464 Ca 0.14 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3dds h LYS 464 Cb -0.03 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 3dds h LYS 464 CO -0.03 0.53 -0.95 0.25 -2.27 0.00 0.00 179.45 176.99 3dds n THR 465 N -4.80 0.22 0.01 1.00 -2.24 -0.06 -2.61 114.28 105.79 3dds n THR 465 Ca -0.08 -0.26 -0.00 0.00 -2.27 0.00 0.00 64.05 61.44 3dds n THR 465 Cb 0.31 0.12 -0.00 0.00 -2.10 0.00 0.00 70.33 68.66 3dds n THR 465 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3dds n LYS 466 N -2.02 0.01 -0.17 -0.78 4.01 -0.63 -4.51 118.16 114.08 3dds n LYS 466 Ca 0.02 0.00 -0.07 0.00 -0.51 0.00 0.00 58.31 57.75 3dds n LYS 466 Cb 0.44 -0.11 0.02 0.00 -0.51 0.00 0.00 35.03 34.87 3dds n LYS 466 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 3dds h VAL 467 N -0.01 1.13 -0.35 -0.18 2.07 -1.27 -3.02 116.25 114.62 3dds h VAL 467 Ca 0.00 -0.23 -0.25 0.00 0.82 0.00 0.00 66.70 67.04 3dds h VAL 467 Cb 0.01 0.40 -0.18 0.00 -1.52 0.00 0.00 31.29 30.00 3dds h VAL 467 CO 0.00 0.12 -0.54 0.49 0.02 0.00 0.00 177.57 177.66 3dds n PHE 468 N -4.74 1.25 -0.24 1.57 3.72 -0.09 -4.81 117.46 114.10 3dds n PHE 468 Ca 0.02 -1.83 0.03 0.00 -0.05 0.00 0.00 57.45 55.62 3dds n PHE 468 Cb 0.02 -0.34 0.12 0.00 -0.94 0.00 0.00 39.48 38.33 3dds n PHE 468 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3dds h LYS 469 N 1.47 0.06 -0.64 -1.08 3.64 -1.36 -0.58 116.57 118.08 3dds h LYS 469 Ca 0.18 -0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.64 3dds h LYS 469 Cb 1.27 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 33.04 3dds h LYS 469 CO 0.37 0.04 0.42 -0.44 -2.27 0.00 0.00 179.45 177.57 3dds h ASP 470 N 0.06 0.50 0.15 4.20 3.32 -1.86 -1.49 116.42 121.29 3dds h ASP 470 Ca 0.37 0.01 -0.20 0.00 0.02 0.00 0.00 57.03 57.23 3dds h ASP 470 Cb 0.61 -0.10 0.02 0.00 0.22 0.00 0.00 39.33 40.08 3dds h ASP 470 CO -0.67 0.31 -0.86 -0.26 -1.72 0.00 0.00 179.24 176.05 3dds h PHE 471 N 0.56 0.57 -0.44 4.55 0.04 -1.51 -3.29 116.94 117.42 3dds h PHE 471 Ca 0.28 -0.42 -0.06 0.00 2.80 0.00 0.00 57.97 60.57 3dds h PHE 471 Cb 0.38 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.49 3dds h PHE 471 CO -0.00 1.33 0.02 0.66 -0.60 0.00 0.00 178.31 179.72 3dds h SER 472 N -0.34 0.67 -0.71 2.17 4.64 -1.04 -1.16 113.55 117.78 3dds h SER 472 Ca -0.15 -0.15 0.05 0.00 -0.47 0.00 0.00 61.79 61.08 3dds h SER 472 Cb 1.68 -0.18 -0.05 0.00 -0.31 0.00 0.00 62.40 63.54 3dds h SER 472 CO 0.16 0.73 0.41 -0.33 -0.87 0.00 0.00 176.83 176.94 3dds h GLU 473 N 0.67 0.75 -0.01 4.77 5.08 -1.40 -0.25 114.58 124.19 3dds h GLU 473 Ca 0.14 -0.05 -0.18 0.00 -1.00 0.00 0.00 59.36 58.27 3dds h GLU 473 Cb 0.39 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3dds h GLU 473 CO 0.01 0.50 -0.81 -0.07 -1.00 0.00 0.00 179.01 177.64 3dds h LEU 474 N 0.77 0.21 -6.36 1.33 3.38 -1.56 -3.39 115.31 109.69 3dds h LEU 474 Ca 0.31 -0.16 -0.59 0.00 0.09 0.00 0.00 57.88 57.53 3dds h LEU 474 Cb 0.14 -0.06 -0.39 0.00 0.09 0.00 0.00 40.66 40.44 3dds h LEU 474 CO -0.16 0.93 -0.93 -0.62 0.09 0.00 0.00 178.44 177.75 3dds n GLU 475 N -3.69 0.69 -0.04 1.13 1.02 -0.47 -5.01 120.64 114.28 3dds n GLU 475 Ca -0.03 -3.46 -0.09 0.00 -0.02 0.00 0.00 57.16 53.56 3dds n GLU 475 Cb 0.76 -1.68 -0.03 0.00 -0.02 0.00 0.00 31.44 30.47 3dds n GLU 475 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 3dds h PRO 476 N 5.09 0.14 0.00 3.49 0.11 -1.26 -2.79 132.00 136.79 3dds h PRO 476 Ca 0.20 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.30 3dds h PRO 476 Cb 0.86 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.94 3dds h PRO 476 CO 0.47 0.09 0.00 -0.25 -0.21 0.00 0.00 178.00 178.11 3dds n ASP 477 N -5.06 0.03 -0.01 -2.05 8.00 -1.26 -2.77 116.55 113.43 3dds n ASP 477 Ca -0.03 0.51 -0.05 0.00 0.71 0.00 0.00 54.79 55.93 3dds n ASP 477 Cb 0.08 -0.51 0.16 0.00 -0.02 0.00 0.00 41.12 40.83 3dds n ASP 477 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 3dds h LYS 478 N 0.00 0.54 -5.70 -1.24 3.64 -1.75 -3.44 116.57 108.62 3dds h LYS 478 Ca 0.00 -0.22 -0.58 0.00 -1.27 0.00 0.00 60.65 58.58 3dds h LYS 478 Cb 0.22 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 31.93 3dds h LYS 478 CO 0.00 0.77 -0.15 -0.06 -2.27 0.00 0.00 179.45 177.74 3dds s PHE 479 N -4.46 3.50 0.25 1.91 0.08 -1.12 -0.88 117.98 117.27 3dds s PHE 479 Ca -0.07 0.86 0.02 0.00 0.12 0.00 0.00 56.93 57.86 3dds s PHE 479 Cb 0.13 -2.55 -0.05 0.00 -0.57 0.00 0.00 43.02 39.98 3dds s PHE 479 CO 0.80 0.15 0.06 -0.65 -0.10 0.00 0.00 175.22 175.48 3dds s GLN 480 N 0.70 1.40 -0.05 0.44 -0.21 0.85 -4.95 119.66 117.84 3dds s GLN 480 Ca 0.25 -1.75 0.02 0.00 0.02 0.00 0.00 55.36 53.90 3dds s GLN 480 Cb -0.15 -0.43 -0.03 0.00 1.00 0.00 0.00 33.01 33.40 3dds s GLN 480 CO 0.10 -0.22 -0.08 1.21 -2.12 0.00 0.00 175.29 174.18 3dds s ASN 481 N -3.33 4.53 -0.32 5.90 2.47 -1.26 -2.39 114.94 120.54 3dds s ASN 481 Ca 0.34 -0.07 -0.02 0.00 0.42 0.00 0.00 52.86 53.53 3dds s ASN 481 Cb 0.07 -1.09 0.11 0.00 -1.45 0.00 0.00 41.25 38.89 3dds s ASN 481 CO 0.12 0.35 0.15 -0.54 -3.72 0.00 0.00 177.10 173.46 3dds s LYS 482 N -0.90 0.48 0.30 0.43 -0.14 -0.85 -4.95 119.74 114.12 3dds s LYS 482 Ca 0.13 -0.98 -0.29 0.00 -1.36 0.00 0.00 55.97 53.46 3dds s LYS 482 Cb -0.11 -1.46 -0.11 0.00 -1.68 0.00 0.00 37.83 34.47 3dds s LYS 482 CO 0.02 -1.08 1.50 0.99 -0.76 0.00 0.00 175.35 176.03 3dds s THR 483 N 1.58 2.29 1.11 2.17 2.01 -1.26 -4.22 115.64 119.31 3dds s THR 483 Ca 0.12 0.26 -0.12 0.00 0.31 0.00 0.00 61.69 62.26 3dds s THR 483 Cb -0.19 -3.16 0.25 0.00 0.01 0.00 0.00 72.50 69.41 3dds s THR 483 CO -0.21 0.05 1.05 0.20 -0.69 0.00 0.00 174.62 175.02 3dds s ASN 484 N 0.22 1.45 0.32 3.53 0.01 -0.23 -4.67 114.94 115.57 3dds s ASN 484 Ca 0.58 1.56 -0.12 0.00 -0.71 0.00 0.00 52.86 54.18 3dds s ASN 484 Cb -0.45 -2.29 0.02 0.00 0.41 0.00 0.00 41.25 38.94 3dds s ASN 484 CO 0.50 -3.92 0.61 -0.83 -1.51 0.00 0.00 177.10 171.95 3dds s GLY 485 N -2.67 0.65 0.06 0.66 0.00 -1.26 -4.82 107.32 99.95 3dds s GLY 485 Ca 0.68 -0.93 0.05 0.00 0.00 0.00 0.00 44.72 44.51 3dds s GLY 485 CO 0.63 -0.55 -0.13 -0.26 0.00 0.00 0.00 173.10 172.79 3dds s ILE 486 N -3.23 0.99 -0.05 0.90 -4.36 0.38 -4.49 121.20 111.34 3dds s ILE 486 Ca 0.21 -1.23 -0.30 0.00 -0.26 0.00 0.00 60.65 59.07 3dds s ILE 486 Cb -0.03 -0.97 -0.03 0.00 1.25 0.00 0.00 42.46 42.69 3dds s ILE 486 CO 0.12 -0.24 1.05 0.28 0.24 0.00 0.00 174.94 176.40 3dds s THR 487 N -1.25 4.64 -1.85 8.37 -1.32 -1.26 -0.87 115.64 122.10 3dds s THR 487 Ca -0.03 1.91 0.26 0.00 -1.21 0.00 0.00 61.69 62.62 3dds s THR 487 Cb -0.10 -4.23 0.67 0.00 -1.51 0.00 0.00 72.50 67.33 3dds s THR 487 CO 0.02 0.06 1.90 -0.81 -2.21 0.00 0.00 174.62 173.58 3dds n PRO 488 N 4.61 0.70 0.00 7.08 -0.04 -1.26 -1.68 135.00 144.41 3dds n PRO 488 Ca 0.08 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 3dds n PRO 488 Cb 0.49 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 3dds n PRO 488 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3dds n ARG 489 N -1.08 0.00 -0.30 0.54 3.00 -1.26 -2.11 116.66 115.45 3dds n ARG 489 Ca 0.18 0.29 0.01 0.00 -0.01 0.00 0.00 57.85 58.33 3dds n ARG 489 Cb 0.12 -1.01 0.15 0.00 0.00 0.00 0.00 32.46 31.71 3dds n ARG 489 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 3dds h ARG 490 N 0.00 0.88 -0.63 5.56 2.43 -1.97 -0.85 114.38 119.81 3dds h ARG 490 Ca 0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3dds h ARG 490 Cb 0.00 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.35 3dds h ARG 490 CO 0.00 0.58 0.00 0.91 -1.51 0.00 0.00 179.97 179.95 3dds n TRP 491 N -4.66 1.16 0.09 2.20 7.02 -0.68 -2.30 117.44 120.28 3dds n TRP 491 Ca 0.13 -0.48 0.00 0.00 -1.02 0.00 0.00 57.50 56.13 3dds n TRP 491 Cb 0.21 -0.17 0.00 0.00 -2.42 0.00 0.00 31.31 28.93 3dds n TRP 491 CO 0.00 0.00 0.00 -0.11 -2.02 0.00 0.00 177.69 175.56 3dds n LEU 492 N 0.97 -0.75 -0.26 -0.99 7.94 -1.05 -4.79 117.00 118.07 3dds n LEU 492 Ca 0.21 0.34 -0.02 0.00 -1.11 0.00 0.00 56.01 55.43 3dds n LEU 492 Cb 0.71 0.86 0.09 0.00 0.53 0.00 0.00 43.42 45.60 3dds n LEU 492 CO 0.19 -0.49 1.14 -0.07 -1.11 0.00 0.00 177.39 177.06 3dds h LEU 493 N 0.00 0.71 0.11 -1.96 3.38 -0.83 -0.29 115.31 116.44 3dds h LEU 493 Ca 0.00 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3dds h LEU 493 Cb 0.00 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.61 3dds h LEU 493 CO 0.00 0.49 -0.05 0.25 0.09 0.00 0.00 178.44 179.21 3dds h LEU 494 N 0.85 -0.12 -0.88 1.67 6.46 -1.31 -3.29 115.31 118.69 3dds h LEU 494 Ca 0.30 -0.17 -0.04 0.00 -0.12 0.00 0.00 57.88 57.85 3dds h LEU 494 Cb 0.06 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.02 3dds h LEU 494 CO -0.13 0.44 -0.19 0.00 -0.62 0.00 0.00 178.44 177.94 3dds n ASN 496 N -3.27 0.04 0.06 0.00 2.85 -0.12 -4.82 115.26 110.00 3dds n ASN 496 Ca 0.01 -2.93 0.04 0.00 -0.11 0.00 0.00 54.58 51.60 3dds n ASN 496 Cb 0.46 -0.29 0.46 0.00 1.24 0.00 0.00 39.78 41.65 3dds n ASN 496 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3dds h PRO 497 N 3.55 0.41 -0.54 1.20 0.13 -1.66 -1.64 132.00 133.45 3dds h PRO 497 Ca 0.05 -0.03 0.02 0.00 -0.87 0.00 0.00 66.00 65.17 3dds h PRO 497 Cb 0.94 -0.09 -0.03 0.00 0.13 0.00 0.00 31.00 31.95 3dds h PRO 497 CO 0.45 0.30 0.33 0.78 -0.23 0.00 0.00 178.00 179.63 3dds h GLY 498 N 0.48 0.76 0.94 1.56 0.00 -1.91 0.69 103.07 105.59 3dds h GLY 498 Ca 0.11 -0.25 -0.11 0.00 0.00 0.00 0.00 47.33 47.08 3dds h GLY 498 CO -0.02 0.22 -0.27 -2.00 0.00 0.00 0.00 176.54 174.47 3dds h LEU 499 N 0.66 0.70 -0.43 3.11 5.85 -1.78 -1.34 115.31 122.08 3dds h LEU 499 Ca 0.21 -0.48 0.02 0.00 0.84 0.00 0.00 57.88 58.48 3dds h LEU 499 Cb -0.00 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 3dds h LEU 499 CO -0.08 1.03 0.25 0.00 -0.34 0.00 0.00 178.44 179.30 3dds h ALA 500 N 0.69 0.55 -0.46 1.25 0.00 -1.18 -0.71 119.26 119.40 3dds h ALA 500 Ca 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3dds h ALA 500 Cb 0.84 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3dds h ALA 500 CO 0.07 -0.07 0.24 1.49 0.00 0.00 0.00 179.25 180.97 3dds h GLU 501 N 0.51 0.65 -0.39 0.00 4.81 -0.84 -0.59 114.58 118.72 3dds h GLU 501 Ca 0.17 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 3dds h GLU 501 Cb 0.02 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 3dds h GLU 501 CO -0.08 0.53 0.18 1.25 -0.73 0.00 0.00 179.01 180.16 3dds h LEU 502 N 0.60 0.53 -0.52 1.64 5.85 -0.94 -0.15 115.31 122.31 3dds h LEU 502 Ca 0.16 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 3dds h LEU 502 Cb 0.09 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 3dds h LEU 502 CO -0.02 0.53 0.26 0.40 -0.34 0.00 0.00 178.44 179.26 3dds h ILE 503 N 0.49 1.19 -0.87 4.05 2.04 -1.04 -3.01 117.51 120.37 3dds h ILE 503 Ca 0.13 -0.53 -0.03 0.00 1.00 0.00 0.00 64.86 65.44 3dds h ILE 503 Cb 0.15 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 3dds h ILE 503 CO -0.01 0.21 0.43 0.00 0.00 0.00 0.00 178.15 178.78 3dds h ALA 504 N 1.10 1.12 -0.06 1.87 0.00 -0.71 -0.98 119.26 121.59 3dds h ALA 504 Ca 0.18 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3dds h ALA 504 Cb 0.10 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3dds h ALA 504 CO -0.02 0.67 -0.03 0.93 0.00 0.00 0.00 179.25 180.79 3dds h GLU 505 N 1.23 0.09 0.06 0.00 5.08 -0.93 0.19 114.58 120.30 3dds h GLU 505 Ca 0.30 -0.01 -0.23 0.00 -1.00 0.00 0.00 59.36 58.42 3dds h GLU 505 Cb 0.09 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3dds h GLU 505 CO -0.04 0.14 -1.19 0.87 -1.00 0.00 0.00 179.01 177.78 3dds h LYS 506 N 0.09 0.13 0.00 2.33 1.79 -1.27 -3.42 116.57 116.22 3dds h LYS 506 Ca 0.02 -0.23 0.00 0.00 -2.18 0.00 0.00 60.65 58.27 3dds h LYS 506 Cb 0.13 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.86 3dds h LYS 506 CO 0.01 1.11 -0.02 0.44 -1.08 0.00 0.00 179.45 179.91 3dds n ILE 507 N -4.16 1.05 -2.04 1.86 -5.35 -0.43 -5.12 119.36 105.16 3dds n ILE 507 Ca -0.25 -1.12 0.04 0.00 -0.27 0.00 0.00 62.75 61.14 3dds n ILE 507 Cb 0.78 0.40 -0.01 0.00 -1.74 0.00 0.00 39.64 39.07 3dds n ILE 507 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3dds n GLY 508 N -0.62 -1.98 1.06 3.28 0.00 0.66 -4.59 105.19 103.00 3dds n GLY 508 Ca 0.03 -1.37 0.08 0.00 0.00 0.00 0.00 46.02 44.77 3dds n GLY 508 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3dds n GLU 509 N -1.47 3.17 0.30 1.61 0.28 -1.26 -4.25 120.64 119.01 3dds n GLU 509 Ca 0.00 -2.56 0.17 0.00 -0.16 0.00 0.00 57.16 54.61 3dds n GLU 509 Cb 0.13 -1.63 0.92 0.00 1.43 0.00 0.00 31.44 32.28 3dds n GLU 509 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 3dds h ASP 510 N 2.80 0.00 0.19 -1.84 3.32 -1.95 -2.63 116.42 116.31 3dds h ASP 510 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3dds h ASP 510 Cb 1.16 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.70 3dds h ASP 510 CO 0.13 0.04 -0.08 0.10 -1.72 0.00 0.00 179.24 177.71 3dds h TYR 511 N 0.00 0.00 -0.70 4.55 -0.00 -1.78 -2.11 116.97 116.94 3dds h TYR 511 Ca -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 58.71 3dds h TYR 511 Cb 0.15 0.00 -0.03 0.00 -0.00 0.00 0.00 36.73 36.84 3dds h TYR 511 CO 0.00 0.08 0.37 0.28 -0.00 0.00 0.00 178.16 178.90 3dds h VAL 512 N 0.00 1.22 0.00 -0.90 2.07 -1.82 -2.36 116.25 114.46 3dds h VAL 512 Ca -0.00 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 66.96 3dds h VAL 512 Cb 0.20 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 3dds h VAL 512 CO 0.01 0.24 -0.77 0.29 0.02 0.00 0.00 177.57 177.36 3dds n LYS 513 N -4.49 0.18 -3.41 1.57 5.02 -1.12 -4.63 118.16 111.29 3dds n LYS 513 Ca 0.06 0.02 -0.24 0.00 -2.02 0.00 0.00 58.31 56.13 3dds n LYS 513 Cb 0.10 -1.58 -0.10 0.00 -0.02 0.00 0.00 35.03 33.43 3dds n LYS 513 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3dds s ASP 514 N -3.66 2.15 0.45 4.39 2.15 -0.81 -5.01 116.67 116.33 3dds s ASP 514 Ca 0.07 -1.96 0.31 0.00 0.43 0.00 0.00 52.55 51.40 3dds s ASP 514 Cb 0.15 0.02 1.34 0.00 -0.30 0.00 0.00 42.92 44.13 3dds s ASP 514 CO 0.76 -0.28 1.91 0.25 -0.17 0.00 0.00 175.17 177.64 3dds h LEU 515 N 6.98 0.00 -2.57 -1.34 5.85 -1.69 -1.63 115.31 120.92 3dds h LEU 515 Ca 0.06 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.79 3dds h LEU 515 Cb 1.00 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.03 3dds h LEU 515 CO 0.23 0.00 0.13 0.77 -0.34 0.00 0.00 178.44 179.23 3dds h SER 516 N 0.00 0.00 0.11 1.25 4.64 -1.85 -0.62 113.55 117.08 3dds h SER 516 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dds h SER 516 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3dds h SER 516 CO 0.00 0.00 0.00 1.56 -0.87 0.00 0.00 176.83 177.52 3dds h GLN 517 N 0.00 0.00 0.00 4.77 1.08 -1.62 -2.34 115.11 117.00 3dds h GLN 517 Ca 0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 3dds h GLN 517 Cb 0.27 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 3dds h GLN 517 CO -0.00 0.00 0.00 -0.07 -0.95 0.00 0.00 178.83 177.81 3dds h LEU 518 N 0.00 0.00 -2.23 1.46 3.38 -1.34 -1.89 115.31 114.69 3dds h LEU 518 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 3dds h LEU 518 Cb 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 3dds h LEU 518 CO 0.00 0.00 0.10 0.71 0.09 0.00 0.00 178.44 179.34 3dds h THR 519 N 0.00 0.65 -0.08 0.22 1.35 -1.24 -1.70 112.91 112.11 3dds h THR 519 Ca 0.00 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.88 3dds h THR 519 Cb 0.03 0.92 -0.00 0.00 -1.73 0.00 0.00 68.15 67.36 3dds h THR 519 CO 0.00 0.00 0.10 0.11 -0.25 0.00 0.00 175.52 175.48 3dds h LYS 520 N 0.00 0.00 0.00 4.72 1.57 -1.59 -2.17 116.57 119.10 3dds h LYS 520 Ca 0.05 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3dds h LYS 520 Cb 0.25 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 3dds h LYS 520 CO -0.00 0.00 -0.05 -0.07 -0.57 0.00 0.00 179.45 178.76 3dds h LEU 521 N 0.00 0.00 -1.66 2.94 3.38 -1.52 -2.80 115.31 115.65 3dds h LEU 521 Ca 0.04 0.00 0.24 0.00 0.09 0.00 0.00 57.88 58.24 3dds h LEU 521 Cb 0.24 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.93 3dds h LEU 521 CO -0.00 0.05 0.63 0.45 0.09 0.00 0.00 178.44 179.67 3dds h HIS 522 N 0.00 0.36 0.00 1.13 3.86 -1.58 -0.81 115.15 118.12 3dds h HIS 522 Ca -0.00 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 3dds h HIS 522 Cb 0.33 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.69 3dds h HIS 522 CO 0.00 0.08 0.00 0.66 0.86 0.00 0.00 177.93 179.53 3dds h SER 523 N 0.26 0.00 -0.19 2.45 4.64 -1.72 -1.95 113.55 117.03 3dds h SER 523 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 3dds h SER 523 Cb 1.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.54 3dds h SER 523 CO -0.14 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.31 3dds n PHE 524 N -2.62 0.25 -1.73 4.77 3.72 -0.31 -4.87 117.46 116.66 3dds n PHE 524 Ca -0.00 -0.12 -0.42 0.00 -0.05 0.00 0.00 57.45 56.85 3dds n PHE 524 Cb 0.17 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.69 3dds n PHE 524 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3dds n LEU 525 N 0.50 4.08 0.00 4.37 4.77 -0.74 -1.29 117.00 128.70 3dds n LEU 525 Ca 0.16 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 57.29 3dds n LEU 525 Cb 0.37 -1.56 0.00 0.00 -2.33 0.00 0.00 43.42 39.90 3dds n LEU 525 CO 0.13 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.82 3dds n GLY 526 N 2.19 1.59 3.45 -0.72 0.00 -1.26 -4.99 105.19 105.45 3dds n GLY 526 Ca 0.09 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.68 3dds n GLY 526 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3dds s ASP 527 N -3.29 6.39 0.44 1.61 -1.08 -0.41 -4.89 116.67 115.44 3dds s ASP 527 Ca 0.00 -1.52 0.21 0.00 -0.52 0.00 0.00 52.55 50.72 3dds s ASP 527 Cb 0.00 -2.40 1.00 0.00 -1.46 0.00 0.00 42.92 40.06 3dds s ASP 527 CO 0.00 -1.24 1.89 0.44 0.52 0.00 0.00 175.17 176.78 3dds h ASP 528 N 9.20 0.00 -0.20 -0.34 3.32 -1.94 -1.32 116.42 125.14 3dds h ASP 528 Ca -0.08 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.95 3dds h ASP 528 Cb 1.05 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 3dds h ASP 528 CO 1.14 0.26 0.02 0.58 -1.72 0.00 0.00 179.24 179.53 3dds h VAL 529 N 0.00 1.23 -0.58 -1.35 2.07 -1.97 -1.83 116.25 113.83 3dds h VAL 529 Ca -0.00 -0.78 -0.05 0.00 0.82 0.00 0.00 66.70 66.69 3dds h VAL 529 Cb 0.62 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 3dds h VAL 529 CO 0.03 0.24 0.17 0.15 0.02 0.00 0.00 177.57 178.18 3dds h PHE 530 N 0.13 0.94 -0.78 1.57 3.57 -1.82 -2.03 116.94 118.52 3dds h PHE 530 Ca 0.06 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.47 3dds h PHE 530 Cb 0.34 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 38.77 3dds h PHE 530 CO 0.02 0.79 0.51 -0.07 -2.23 0.00 0.00 178.31 177.33 3dds h LEU 531 N 0.82 0.90 -0.62 0.59 3.38 -1.18 0.11 115.31 119.30 3dds h LEU 531 Ca 0.19 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 58.03 3dds h LEU 531 Cb 0.30 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3dds h LEU 531 CO -0.00 0.66 0.02 0.03 0.09 0.00 0.00 178.44 179.24 3dds h ARG 532 N 1.06 1.09 -0.70 1.13 3.08 -1.15 -0.37 114.38 118.52 3dds h ARG 532 Ca 0.28 -0.34 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3dds h ARG 532 Cb -0.10 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 29.81 3dds h ARG 532 CO -0.06 1.05 0.45 0.93 -1.07 0.00 0.00 179.97 181.27 3dds h GLU 533 N 0.99 0.94 -0.47 0.04 5.08 -0.59 0.08 114.58 120.65 3dds h GLU 533 Ca 0.18 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 3dds h GLU 533 Cb 0.55 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 3dds h GLU 533 CO 0.03 0.64 0.23 1.25 -1.00 0.00 0.00 179.01 180.16 3dds h LEU 534 N 0.95 0.62 -0.96 1.33 5.85 -0.57 -2.35 115.31 120.18 3dds h LEU 534 Ca 0.26 -0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.79 3dds h LEU 534 Cb -0.07 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 3dds h LEU 534 CO -0.05 0.57 0.09 0.00 -0.34 0.00 0.00 178.44 178.71 3dds h ALA 535 N 1.07 1.15 -0.61 1.25 0.00 -0.74 -2.80 119.26 118.57 3dds h ALA 535 Ca 0.16 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 3dds h ALA 535 Cb 0.12 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3dds h ALA 535 CO -0.02 0.57 0.09 -0.22 0.00 0.00 0.00 179.25 179.66 3dds h LYS 536 N 0.81 1.01 -0.35 0.00 3.64 -0.68 -0.44 116.57 120.55 3dds h LYS 536 Ca 0.17 -0.26 0.02 0.00 -1.27 0.00 0.00 60.65 59.31 3dds h LYS 536 Cb 0.35 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 3dds h LYS 536 CO 0.01 0.93 0.20 0.28 -2.27 0.00 0.00 179.45 178.60 3dds h VAL 537 N 0.94 1.03 -0.45 2.00 2.07 -1.23 -0.12 116.25 120.49 3dds h VAL 537 Ca 0.19 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.58 3dds h VAL 537 Cb 0.43 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 3dds h VAL 537 CO 0.01 0.07 0.27 0.50 0.02 0.00 0.00 177.57 178.45 3dds h LYS 538 N 0.41 0.53 -0.72 1.57 1.63 -1.22 -1.61 116.57 117.17 3dds h LYS 538 Ca 0.14 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.89 3dds h LYS 538 Cb 0.01 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 31.48 3dds h LYS 538 CO -0.07 0.35 0.39 0.37 -3.45 0.00 0.00 179.45 177.04 3dds h GLN 539 N 0.55 1.00 -0.48 1.90 5.75 -0.72 0.15 115.11 123.26 3dds h GLN 539 Ca 0.18 -0.12 -0.01 0.00 -0.15 0.00 0.00 58.65 58.55 3dds h GLN 539 Cb -0.00 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.33 3dds h GLN 539 CO -0.07 0.75 0.27 0.93 -2.65 0.00 0.00 178.83 178.06 3dds h GLU 540 N 0.99 0.66 -0.63 1.69 5.08 -0.80 -0.68 114.58 120.89 3dds h GLU 540 Ca 0.25 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.58 3dds h GLU 540 Cb 0.04 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.12 3dds h GLU 540 CO -0.04 0.51 0.38 -0.91 -1.00 0.00 0.00 179.01 177.95 3dds h ASN 541 N 0.64 0.60 -0.72 1.42 2.35 -0.85 -1.84 115.58 117.19 3dds h ASN 541 Ca 0.17 0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.86 3dds h ASN 541 Cb 0.03 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.25 3dds h ASN 541 CO -0.03 0.41 0.19 0.11 -1.65 0.00 0.00 177.43 176.46 3dds h LYS 542 N 0.73 1.15 -0.39 0.81 1.57 -0.63 -0.88 116.57 118.93 3dds h LYS 542 Ca 0.26 -0.27 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 3dds h LYS 542 Cb 0.06 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 3dds h LYS 542 CO -0.12 1.00 0.11 -0.07 -0.57 0.00 0.00 179.45 179.80 3dds h LEU 543 N 1.09 0.58 -0.36 2.94 3.38 -0.83 0.19 115.31 122.30 3dds h LEU 543 Ca 0.23 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3dds h LEU 543 Cb 0.36 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3dds h LEU 543 CO -0.00 0.64 0.18 0.50 0.09 0.00 0.00 178.44 179.85 3dds h LYS 544 N 0.49 0.52 -0.03 1.13 3.64 -1.20 -2.08 116.57 119.03 3dds h LYS 544 Ca 0.12 -0.07 -0.12 0.00 -1.27 0.00 0.00 60.65 59.32 3dds h LYS 544 Cb 0.28 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 3dds h LYS 544 CO -0.00 0.45 -0.52 0.35 -2.27 0.00 0.00 179.45 177.46 3dds h PHE 545 N 0.45 0.10 -0.55 1.91 3.57 -0.99 -2.50 116.94 118.93 3dds h PHE 545 Ca 0.13 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 3dds h PHE 545 Cb 0.09 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 3dds h PHE 545 CO -0.02 0.59 0.29 0.77 -2.23 0.00 0.00 178.31 177.71 3dds h SER 546 N 0.07 0.67 -0.25 0.41 0.02 -0.32 0.18 113.55 114.33 3dds h SER 546 Ca -0.00 -0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 60.86 3dds h SER 546 Cb 0.94 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.30 3dds h SER 546 CO 0.07 0.55 0.01 1.56 -1.14 0.00 0.00 176.83 177.89 3dds h GLN 547 N 0.76 0.44 -0.21 3.45 4.20 -0.96 -0.23 115.11 122.57 3dds h GLN 547 Ca 0.20 -0.13 0.05 0.00 0.06 0.00 0.00 58.65 58.82 3dds h GLN 547 Cb 0.03 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 27.72 3dds h GLN 547 CO -0.03 0.59 -0.12 0.35 -0.67 0.00 0.00 178.83 178.95 3dds h PHE 548 N 0.23 -0.30 -0.69 2.96 3.57 -1.13 0.09 116.94 121.66 3dds h PHE 548 Ca 0.07 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.60 3dds h PHE 548 Cb 0.39 0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.26 3dds h PHE 548 CO 0.03 -0.19 0.45 -0.07 -2.23 0.00 0.00 178.31 176.30 3dds h LEU 549 N -0.11 0.80 -0.68 0.59 3.38 -0.81 0.28 115.31 118.75 3dds h LEU 549 Ca 0.12 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.92 3dds h LEU 549 Cb 0.29 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3dds h LEU 549 CO -0.28 0.59 -0.43 -0.33 0.09 0.00 0.00 178.44 178.09 3dds h GLU 550 N 0.94 0.52 -0.12 1.13 5.08 -0.84 -0.10 114.58 121.19 3dds h GLU 550 Ca 0.25 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3dds h GLU 550 Cb -0.09 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3dds h GLU 550 CO -0.05 0.85 0.04 1.15 -1.00 0.00 0.00 179.01 180.00 3dds h THR 551 N 0.42 1.18 0.08 1.13 2.02 -0.58 -1.90 112.91 115.27 3dds h THR 551 Ca 0.03 -0.54 -0.25 0.00 0.77 0.00 0.00 66.41 66.42 3dds h THR 551 Cb 0.92 1.31 -0.01 0.00 -1.74 0.00 0.00 68.15 68.63 3dds h THR 551 CO 0.08 0.16 -1.16 -0.33 0.37 0.00 0.00 175.52 174.64 3dds h GLU 552 N 0.02 0.18 0.00 6.66 4.39 -0.90 -3.39 114.58 121.54 3dds h GLU 552 Ca 0.04 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 59.43 3dds h GLU 552 Cb 0.22 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 3dds h GLU 552 CO -0.00 1.15 -0.73 0.66 -1.16 0.00 0.00 179.01 178.93 3dds n TYR 553 N -3.48 0.00 -3.77 4.33 4.01 -0.06 -5.03 117.16 113.17 3dds n TYR 553 Ca -0.06 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.46 3dds n TYR 553 Cb 0.99 -0.04 0.02 0.00 -0.31 0.00 0.00 39.34 40.00 3dds n TYR 553 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 3dds n LYS 554 N -1.38 -4.34 -5.07 -0.72 2.85 -0.71 -4.99 118.16 103.79 3dds n LYS 554 Ca -0.00 0.56 -0.31 0.00 -1.05 0.00 0.00 58.31 57.51 3dds n LYS 554 Cb 0.07 -4.97 -0.15 0.00 -0.65 0.00 0.00 35.03 29.32 3dds n LYS 554 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3dds s VAL 555 N -3.75 2.24 -0.22 0.58 1.01 -1.26 -5.08 120.40 113.92 3dds s VAL 555 Ca 0.02 -1.18 -0.27 0.00 0.00 0.00 0.00 61.98 60.54 3dds s VAL 555 Cb -0.00 -1.84 0.00 0.00 0.00 0.00 0.00 36.38 34.54 3dds s VAL 555 CO 0.83 0.48 0.94 -0.75 0.00 0.00 0.00 175.10 176.61 3dds s LYS 556 N -0.92 4.25 -0.16 2.72 2.47 -1.26 -4.44 119.74 122.39 3dds s LYS 556 Ca 0.11 1.18 -0.14 0.00 -1.56 0.00 0.00 55.97 55.57 3dds s LYS 556 Cb -0.10 -3.63 -0.05 0.00 -1.46 0.00 0.00 37.83 32.59 3dds s LYS 556 CO 0.01 -0.55 0.29 0.42 0.16 0.00 0.00 175.35 175.68 3dds s ILE 557 N 2.91 5.31 -0.42 5.43 -1.09 -1.26 -4.99 121.20 127.09 3dds s ILE 557 Ca 0.40 0.55 -0.29 0.00 -2.23 0.00 0.00 60.65 59.08 3dds s ILE 557 Cb -0.15 -3.63 0.02 0.00 -1.58 0.00 0.00 42.46 37.12 3dds s ILE 557 CO 0.08 0.39 1.12 0.21 -1.23 0.00 0.00 174.94 175.51 3dds s ASN 558 N 0.49 6.74 0.55 3.58 3.84 -1.26 -4.93 114.94 123.95 3dds s ASN 558 Ca 0.16 0.69 0.23 0.00 0.21 0.00 0.00 52.86 54.15 3dds s ASN 558 Cb -0.13 -2.55 1.54 0.00 -0.55 0.00 0.00 41.25 39.56 3dds s ASN 558 CO 0.04 -1.12 2.20 -0.65 -2.79 0.00 0.00 177.10 174.78 3dds h PRO 559 N 8.84 0.00 -0.11 0.43 0.11 -1.97 -1.85 132.00 137.45 3dds h PRO 559 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 3dds h PRO 559 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3dds h PRO 559 CO 1.09 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.75 3dds n SER 560 N -4.21 1.84 -4.81 -2.05 3.41 -1.26 -4.93 113.62 101.61 3dds n SER 560 Ca -0.03 -1.67 -0.33 0.00 -0.26 0.00 0.00 58.87 56.58 3dds n SER 560 Cb 0.09 -0.06 -0.06 0.00 -0.26 0.00 0.00 64.21 63.92 3dds n SER 560 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3dds s SER 561 N -1.77 6.70 0.02 4.04 1.04 -0.70 -4.86 113.70 118.16 3dds s SER 561 Ca 0.35 1.78 -0.30 0.00 0.48 0.00 0.00 55.95 58.26 3dds s SER 561 Cb 0.19 -2.55 -0.06 0.00 0.10 0.00 0.00 66.02 63.71 3dds s SER 561 CO 0.30 -0.53 1.46 -0.32 0.98 0.00 0.00 173.24 175.13 3dds s MET 562 N -3.22 4.26 -0.49 4.02 1.75 -0.33 -4.73 119.30 120.56 3dds s MET 562 Ca 0.64 2.06 -0.25 0.00 -1.25 0.00 0.00 55.69 56.89 3dds s MET 562 Cb -0.12 -3.58 0.03 0.00 2.84 0.00 0.00 34.83 34.00 3dds s MET 562 CO 0.16 -0.62 0.92 -0.06 -0.65 0.00 0.00 175.02 174.78 3dds s PHE 563 N 2.46 2.88 -0.32 4.11 2.99 -1.26 -0.60 117.98 128.24 3dds s PHE 563 Ca 0.66 0.26 -0.05 0.00 0.00 0.00 0.00 56.93 57.80 3dds s PHE 563 Cb -0.33 -3.99 0.03 0.00 0.00 0.00 0.00 43.02 38.73 3dds s PHE 563 CO 0.28 -1.17 0.07 0.34 -0.00 0.00 0.00 175.22 174.74 3dds s ASP 564 N 2.42 5.13 -0.08 1.36 -1.08 -0.14 -1.25 116.67 123.04 3dds s ASP 564 Ca 0.35 -1.04 0.02 0.00 -0.52 0.00 0.00 52.55 51.36 3dds s ASP 564 Cb -0.11 -1.83 0.02 0.00 -1.46 0.00 0.00 42.92 39.53 3dds s ASP 564 CO 0.24 -0.27 -0.12 -0.69 0.52 0.00 0.00 175.17 174.85 3dds s VAL 565 N 1.40 1.18 -0.32 1.11 1.01 -0.22 0.12 120.40 124.67 3dds s VAL 565 Ca -0.01 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.51 3dds s VAL 565 Cb -0.19 -1.09 0.10 0.00 0.00 0.00 0.00 36.38 35.20 3dds s VAL 565 CO 0.02 0.37 0.07 -1.58 0.00 0.00 0.00 175.10 173.97 3dds s GLN 566 N 0.88 1.15 -0.11 2.72 0.74 0.13 -1.51 119.66 123.65 3dds s GLN 566 Ca -0.10 -1.50 0.02 0.00 0.05 0.00 0.00 55.36 53.83 3dds s GLN 566 Cb -0.15 -2.66 0.01 0.00 1.10 0.00 0.00 33.01 31.31 3dds s GLN 566 CO 0.01 -0.95 -0.19 0.14 -0.55 0.00 0.00 175.29 173.76 3dds s VAL 567 N 1.23 1.74 0.00 1.34 -7.23 -1.26 -1.56 120.40 114.66 3dds s VAL 567 Ca 0.10 -0.80 0.00 0.00 -1.81 0.00 0.00 61.98 59.47 3dds s VAL 567 Cb -0.18 -1.56 0.00 0.00 0.56 0.00 0.00 36.38 35.20 3dds s VAL 567 CO -0.15 0.49 0.00 2.29 -0.31 0.00 0.00 175.10 177.41 3dds n LYS 568 N 4.03 0.00 -1.76 4.82 2.85 -0.96 -4.98 118.16 122.17 3dds n LYS 568 Ca -0.20 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.66 3dds n LYS 568 Cb 0.52 0.00 0.02 0.00 -0.65 0.00 0.00 35.03 34.92 3dds n LYS 568 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3dds n ARG 569 N -0.40 2.18 -2.36 -1.58 5.12 -1.26 -3.93 116.66 114.43 3dds n ARG 569 Ca 0.00 0.78 -0.43 0.00 -1.93 0.00 0.00 57.85 56.27 3dds n ARG 569 Cb 0.00 -2.61 -0.02 0.00 -1.16 0.00 0.00 32.46 28.67 3dds n ARG 569 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3dds s ILE 570 N -1.20 4.14 -0.05 0.55 -1.09 -0.58 -4.91 121.20 118.06 3dds s ILE 570 Ca 0.62 1.41 -0.11 0.00 -2.23 0.00 0.00 60.65 60.33 3dds s ILE 570 Cb -0.45 -3.91 0.02 0.00 -1.58 0.00 0.00 42.46 36.54 3dds s ILE 570 CO 0.57 -0.09 0.26 -1.00 -1.23 0.00 0.00 174.94 173.45 3dds s HIS 571 N 3.26 -0.18 0.22 3.97 3.76 -1.26 -4.72 115.29 120.35 3dds s HIS 571 Ca 0.58 0.37 -0.08 0.00 -0.15 0.00 0.00 55.06 55.78 3dds s HIS 571 Cb -0.24 0.07 0.20 0.00 1.11 0.00 0.00 32.58 33.71 3dds s HIS 571 CO 0.19 -0.27 1.88 0.93 -0.85 0.00 0.00 174.74 176.61 3dds h GLU 572 N 4.66 1.15 0.00 1.40 5.08 -1.95 -2.91 114.58 122.02 3dds h GLU 572 Ca -0.28 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 57.90 3dds h GLU 572 Cb 1.19 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 3dds h GLU 572 CO 0.37 0.79 -0.39 0.10 -1.00 0.00 0.00 179.01 178.88 3dds h TYR 573 N 1.17 0.00 0.00 4.33 -0.00 -1.97 -2.49 116.97 118.02 3dds h TYR 573 Ca 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.04 3dds h TYR 573 Cb -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.65 3dds h TYR 573 CO -0.01 0.39 0.00 0.87 -0.00 0.00 0.00 178.16 179.42 3dds h LYS 574 N 0.00 0.00 -5.67 0.10 1.57 -1.89 -3.05 116.57 107.64 3dds h LYS 574 Ca -0.00 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.42 3dds h LYS 574 Cb 0.75 0.00 0.15 0.00 0.08 0.00 0.00 32.23 33.21 3dds h LYS 574 CO 0.05 0.00 -0.71 0.54 -0.57 0.00 0.00 179.45 178.76 3dds n ARG 575 N -2.59 -7.19 -0.19 3.15 1.74 -0.94 -3.96 116.66 106.68 3dds n ARG 575 Ca 0.05 0.82 0.18 0.00 -0.77 0.00 0.00 57.85 58.13 3dds n ARG 575 Cb 0.45 -5.81 0.53 0.00 -1.02 0.00 0.00 32.46 26.60 3dds n ARG 575 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3dds h GLN 576 N -2.27 0.35 -0.80 5.56 7.50 -1.86 -2.16 115.11 121.43 3dds h GLN 576 Ca -0.57 -0.02 0.05 0.00 0.50 0.00 0.00 58.65 58.61 3dds h GLN 576 Cb 1.35 -0.08 -0.05 0.00 0.05 0.00 0.00 27.48 28.74 3dds h GLN 576 CO 0.52 0.23 0.50 1.25 -1.50 0.00 0.00 178.83 179.83 3dds h LEU 577 N 0.37 0.80 -0.42 1.46 5.85 -1.90 -0.70 115.31 120.77 3dds h LEU 577 Ca 0.41 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 59.14 3dds h LEU 577 Cb 1.04 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 3dds h LEU 577 CO -0.13 0.53 0.26 0.25 -0.34 0.00 0.00 178.44 179.01 3dds h LEU 578 N 0.94 0.49 -0.47 2.25 5.85 -1.77 -1.19 115.31 121.41 3dds h LEU 578 Ca 0.34 -0.04 0.08 0.00 0.84 0.00 0.00 57.88 59.10 3dds h LEU 578 Cb 0.10 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 40.94 3dds h LEU 578 CO -0.15 0.39 0.06 -1.13 -0.34 0.00 0.00 178.44 177.27 3dds h ASN 579 N 0.55 -0.07 -0.90 1.25 -0.73 -1.31 -2.10 115.58 112.28 3dds h ASN 579 Ca 0.15 0.09 0.07 0.00 1.87 0.00 0.00 56.30 58.48 3dds h ASN 579 Cb -0.02 0.14 -0.06 0.00 0.27 0.00 0.00 38.32 38.65 3dds h ASN 579 CO -0.03 -0.00 0.58 0.00 -0.37 0.00 0.00 177.43 177.61 3dds h LEU 581 N 1.01 0.98 -0.66 0.00 3.38 -0.59 -1.56 115.31 117.87 3dds h LEU 581 Ca 0.39 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 58.09 3dds h LEU 581 Cb 0.21 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3dds h LEU 581 CO -0.14 0.93 0.12 -0.74 0.09 0.00 0.00 178.44 178.70 3dds h HIS 582 N 1.01 1.16 -0.32 1.13 2.76 -0.71 -0.78 115.15 119.40 3dds h HIS 582 Ca 0.22 -0.16 0.02 0.00 -2.20 0.00 0.00 60.37 58.25 3dds h HIS 582 Cb 0.31 -0.32 -0.03 0.00 1.55 0.00 0.00 27.41 28.93 3dds h HIS 582 CO 0.02 0.97 0.15 0.28 -1.30 0.00 0.00 177.93 178.05 3dds h VAL 583 N 1.01 0.98 -0.56 5.26 2.07 -0.66 -0.51 116.25 123.85 3dds h VAL 583 Ca 0.20 -0.11 -0.07 0.00 0.82 0.00 0.00 66.70 67.54 3dds h VAL 583 Cb 0.43 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 3dds h VAL 583 CO 0.01 0.06 0.07 0.40 0.02 0.00 0.00 177.57 178.13 3dds h ILE 584 N 0.32 1.25 -0.30 4.57 2.04 -1.20 -1.63 117.51 122.55 3dds h ILE 584 Ca 0.13 -0.97 0.03 0.00 1.00 0.00 0.00 64.86 65.04 3dds h ILE 584 Cb 0.05 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 3dds h ILE 584 CO -0.10 0.36 0.13 0.74 0.00 0.00 0.00 178.15 179.28 3dds h THR 585 N 0.86 0.95 -0.44 -0.27 2.02 -0.65 -1.28 112.91 114.10 3dds h THR 585 Ca 0.17 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.26 3dds h THR 585 Cb 0.41 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 3dds h THR 585 CO 0.01 0.05 0.27 0.24 0.37 0.00 0.00 175.52 176.46 3dds h MET 586 N 0.28 0.60 -0.41 6.66 2.86 -0.77 -1.92 114.93 122.23 3dds h MET 586 Ca 0.13 -0.05 0.07 0.00 -2.06 0.00 0.00 59.70 57.78 3dds h MET 586 Cb 0.07 -0.13 -0.06 0.00 0.06 0.00 0.00 31.60 31.55 3dds h MET 586 CO -0.11 0.44 0.07 -0.92 1.06 0.00 0.00 176.91 177.45 3dds h TYR 587 N 0.59 0.10 -0.58 -0.22 3.20 -1.00 -1.87 116.97 117.20 3dds h TYR 587 Ca 0.16 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.98 3dds h TYR 587 Cb -0.00 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 3dds h TYR 587 CO -0.03 -0.01 0.07 -0.91 -1.64 0.00 0.00 178.16 175.64 3dds h ASN 588 N 0.19 0.90 -0.87 -2.11 2.35 -1.05 -1.66 115.58 113.33 3dds h ASN 588 Ca 0.20 -0.21 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 3dds h ASN 588 Cb 0.25 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.34 3dds h ASN 588 CO -0.28 0.92 0.46 0.03 -1.65 0.00 0.00 177.43 176.92 3dds h ARG 589 N 0.89 1.23 -0.32 0.81 3.08 -0.94 -0.40 114.38 118.73 3dds h ARG 589 Ca 0.18 -0.16 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 3dds h ARG 589 Cb 0.43 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 3dds h ARG 589 CO 0.01 0.91 -0.02 0.82 -1.07 0.00 0.00 179.97 180.63 3dds h ILE 590 N 1.23 1.26 -0.08 2.04 2.04 -1.00 -2.27 117.51 120.73 3dds h ILE 590 Ca 0.31 -1.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.09 3dds h ILE 590 Cb 0.06 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 3dds h ILE 590 CO -0.05 0.32 -0.29 0.11 0.00 0.00 0.00 178.15 178.25 3dds h LYS 591 N 0.37 0.15 -0.08 2.37 1.79 -1.10 -2.21 116.57 117.85 3dds h LYS 591 Ca 0.09 -0.05 -0.20 0.00 -2.18 0.00 0.00 60.65 58.31 3dds h LYS 591 Cb 0.48 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 3dds h LYS 591 CO 0.02 0.43 -0.79 -0.22 -1.08 0.00 0.00 179.45 177.81 3dds h LYS 592 N 0.13 0.49 -2.15 3.15 3.64 -0.97 -3.40 116.57 117.47 3dds h LYS 592 Ca 0.02 -0.43 -0.51 0.00 -1.27 0.00 0.00 60.65 58.46 3dds h LYS 592 Cb 0.58 0.10 -0.34 0.00 -0.41 0.00 0.00 32.23 32.15 3dds h LYS 592 CO 0.04 1.06 -0.88 0.34 -2.27 0.00 0.00 179.45 177.75 3dds s ASP 593 N -7.03 1.08 0.58 4.20 -1.08 -0.86 -5.01 116.67 108.54 3dds s ASP 593 Ca -0.07 -2.70 0.34 0.00 -0.52 0.00 0.00 52.55 49.60 3dds s ASP 593 Cb 0.10 -0.01 1.78 0.00 -1.46 0.00 0.00 42.92 43.32 3dds s ASP 593 CO 0.86 -0.17 2.17 -0.65 0.52 0.00 0.00 175.17 177.90 3dds h PRO 594 N 5.74 0.00 0.00 4.34 0.11 -1.64 -2.31 132.00 138.24 3dds h PRO 594 Ca 0.21 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.27 3dds h PRO 594 Cb 0.95 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 3dds h PRO 594 CO 0.30 0.05 -0.48 0.87 -0.21 0.00 0.00 178.00 178.53 3dds h LYS 595 N 0.00 0.00 -7.11 1.05 6.56 -1.95 -3.47 116.57 111.65 3dds h LYS 595 Ca -0.00 0.00 -0.55 0.00 -1.06 0.00 0.00 60.65 59.04 3dds h LYS 595 Cb 0.24 0.00 0.17 0.00 -0.57 0.00 0.00 32.23 32.07 3dds h LYS 595 CO 0.01 0.19 0.42 1.17 -2.06 0.00 0.00 179.45 179.17 3dds n LYS 596 N -3.05 0.81 -1.97 3.15 4.81 -0.87 -4.92 118.16 116.11 3dds n LYS 596 Ca 0.01 0.34 -0.42 0.00 -0.87 0.00 0.00 58.31 57.37 3dds n LYS 596 Cb 0.63 -2.47 -0.03 0.00 0.02 0.00 0.00 35.03 33.18 3dds n LYS 596 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 3dds s LEU 597 N -4.51 4.37 -0.05 3.14 2.96 -1.26 -5.01 118.68 118.32 3dds s LEU 597 Ca 0.79 2.61 -0.01 0.00 -0.22 0.00 0.00 54.13 57.31 3dds s LEU 597 Cb -0.36 -3.60 0.03 0.00 0.50 0.00 0.00 46.19 42.76 3dds s LEU 597 CO 0.44 -0.78 0.01 0.12 -1.32 0.00 0.00 176.35 174.82 3dds s PHE 598 N 0.82 0.41 -0.31 5.38 5.36 -1.26 -5.11 117.98 123.27 3dds s PHE 598 Ca 0.67 -0.01 -0.29 0.00 -0.96 0.00 0.00 56.93 56.34 3dds s PHE 598 Cb -0.43 -0.60 0.00 0.00 -0.34 0.00 0.00 43.02 41.66 3dds s PHE 598 CO 0.35 -0.23 1.28 0.08 -1.46 0.00 0.00 175.22 175.23 3dds s VAL 599 N 1.69 4.17 0.53 3.12 1.01 -1.26 -4.98 120.40 124.68 3dds s VAL 599 Ca -0.00 1.32 -0.21 0.00 0.00 0.00 0.00 61.98 63.09 3dds s VAL 599 Cb -0.13 -4.20 -0.05 0.00 0.00 0.00 0.00 36.38 32.00 3dds s VAL 599 CO -0.03 -0.50 1.22 -2.16 0.00 0.00 0.00 175.10 173.63 3dds s PRO 600 N 4.14 3.30 0.03 2.72 0.04 -1.26 -4.91 135.00 139.07 3dds s PRO 600 Ca 0.55 1.88 0.02 0.00 0.04 0.00 0.00 61.00 63.50 3dds s PRO 600 Cb -0.16 -2.17 -0.02 0.00 0.04 0.00 0.00 34.50 32.20 3dds s PRO 600 CO 0.23 -0.95 -0.08 1.03 0.04 0.00 0.00 177.00 177.27 3dds s ARG 601 N -3.02 0.53 -0.31 4.56 0.52 -0.74 -1.19 118.95 119.30 3dds s ARG 601 Ca 0.71 -0.64 -0.06 0.00 -0.52 0.00 0.00 55.73 55.22 3dds s ARG 601 Cb -0.31 -0.36 0.02 0.00 0.52 0.00 0.00 34.95 34.81 3dds s ARG 601 CO 0.36 0.08 0.08 0.99 0.02 0.00 0.00 175.30 176.83 3dds s THR 602 N -1.08 3.85 -0.31 0.02 2.01 0.23 -2.53 115.64 117.83 3dds s THR 602 Ca -0.07 -0.86 -0.14 0.00 0.31 0.00 0.00 61.69 60.93 3dds s THR 602 Cb -0.08 -3.05 -0.03 0.00 0.01 0.00 0.00 72.50 69.35 3dds s THR 602 CO 0.00 -0.00 0.33 -0.69 -0.69 0.00 0.00 174.62 173.57 3dds s VAL 603 N 1.46 5.20 -0.18 3.82 1.01 0.24 -0.97 120.40 130.98 3dds s VAL 603 Ca 0.01 0.22 -0.02 0.00 0.00 0.00 0.00 61.98 62.20 3dds s VAL 603 Cb -0.18 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.47 3dds s VAL 603 CO 0.02 0.05 -0.10 -0.63 0.00 0.00 0.00 175.10 174.43 3dds s ILE 604 N 1.98 3.00 -0.08 2.22 1.01 0.12 -0.94 121.20 128.51 3dds s ILE 604 Ca 0.12 -0.64 0.02 0.00 0.00 0.00 0.00 60.65 60.15 3dds s ILE 604 Cb -0.16 -2.31 0.01 0.00 0.01 0.00 0.00 42.46 40.01 3dds s ILE 604 CO 0.11 0.48 -0.13 -0.63 0.00 0.00 0.00 174.94 174.77 3dds s ILE 605 N 1.04 1.28 0.10 2.92 1.01 -0.59 -0.70 121.20 126.27 3dds s ILE 605 Ca -0.00 -0.54 -0.11 0.00 0.00 0.00 0.00 60.65 59.99 3dds s ILE 605 Cb -0.15 -1.18 0.01 0.00 0.01 0.00 0.00 42.46 41.16 3dds s ILE 605 CO -0.02 0.39 0.26 -0.83 0.00 0.00 0.00 174.94 174.74 3dds s GLY 606 N 0.81 -0.03 0.00 6.18 0.00 -0.60 -1.05 107.32 112.63 3dds s GLY 606 Ca -0.11 -0.42 0.00 0.00 0.00 0.00 0.00 44.72 44.18 3dds s GLY 606 CO 0.02 -0.63 0.00 0.61 0.00 0.00 0.00 173.10 173.10 3dds n GLY 607 N -0.10 3.79 3.85 0.20 0.00 -1.25 -2.26 105.19 109.43 3dds n GLY 607 Ca -0.15 -1.05 -0.35 0.00 0.00 0.00 0.00 46.02 44.47 3dds n GLY 607 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dds s LYS 608 N -2.53 3.90 -0.13 1.61 1.02 -1.26 -4.62 119.74 117.73 3dds s LYS 608 Ca 0.00 0.38 -0.09 0.00 0.02 0.00 0.00 55.97 56.28 3dds s LYS 608 Cb 0.00 -2.91 -0.04 0.00 -0.52 0.00 0.00 37.83 34.36 3dds s LYS 608 CO 0.00 0.47 0.17 0.00 -0.92 0.00 0.00 175.35 175.07 3dds s ALA 609 N -1.50 3.81 0.26 5.17 0.00 -1.26 -1.53 121.76 126.71 3dds s ALA 609 Ca 0.38 -0.60 -0.31 0.00 0.00 0.00 0.00 51.96 51.43 3dds s ALA 609 Cb -0.14 -2.07 -0.13 0.00 0.00 0.00 0.00 23.12 20.78 3dds s ALA 609 CO 0.19 0.48 1.49 0.00 0.00 0.00 0.00 175.76 177.92 3dds n ALA 610 N 2.38 1.70 -0.18 0.00 0.00 -1.26 -4.86 120.51 118.28 3dds n ALA 610 Ca -0.18 0.40 0.16 0.00 0.00 0.00 0.00 53.44 53.81 3dds n ALA 610 Cb 0.54 -2.35 0.49 0.00 0.00 0.00 0.00 19.45 18.13 3dds n ALA 610 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3dds h PRO 611 N 4.46 0.42 -0.11 0.00 0.11 -1.98 -1.05 132.00 133.86 3dds h PRO 611 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3dds h PRO 611 Cb 1.25 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3dds h PRO 611 CO 0.77 0.28 0.00 0.41 -0.21 0.00 0.00 178.00 179.25 3dds n GLY 612 N -1.51 -0.00 3.41 -0.55 0.00 -1.26 -4.78 105.19 100.50 3dds n GLY 612 Ca 0.15 -0.37 -0.45 0.00 0.00 0.00 0.00 46.02 45.36 3dds n GLY 612 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3dds s TYR 613 N -1.86 3.29 0.14 1.61 6.14 -0.40 -4.91 117.35 121.35 3dds s TYR 613 Ca 0.33 -1.52 -0.18 0.00 0.64 0.00 0.00 57.07 56.34 3dds s TYR 613 Cb 0.17 -4.14 0.01 0.00 0.42 0.00 0.00 41.96 38.43 3dds s TYR 613 CO 0.27 -1.34 1.75 1.25 0.64 0.00 0.00 175.55 178.12 3dds h HIS 614 N 8.57 0.20 -0.42 4.97 -0.00 -1.86 -2.43 115.15 124.17 3dds h HIS 614 Ca 0.11 0.01 -0.07 0.00 -0.00 0.00 0.00 60.37 60.43 3dds h HIS 614 Cb 1.03 -0.05 -0.02 0.00 -0.00 0.00 0.00 27.41 28.38 3dds h HIS 614 CO 1.11 0.09 -0.01 1.98 -0.00 0.00 0.00 177.93 181.10 3dds h MET 615 N 0.25 0.69 -0.65 5.26 1.85 -1.98 -1.15 114.93 119.20 3dds h MET 615 Ca 0.13 -0.17 -0.03 0.00 -0.61 0.00 0.00 59.70 59.01 3dds h MET 615 Cb 0.09 -0.09 -0.03 0.00 0.43 0.00 0.00 31.60 32.00 3dds h MET 615 CO -0.12 0.71 0.29 0.00 -0.40 0.00 0.00 176.91 177.38 3dds h ALA 616 N 1.34 0.84 -0.49 0.39 0.00 -1.81 -0.85 119.26 118.68 3dds h ALA 616 Ca 0.13 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3dds h ALA 616 Cb 0.42 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3dds h ALA 616 CO 0.02 0.44 0.02 0.87 0.00 0.00 0.00 179.25 180.59 3dds h LYS 617 N 0.91 0.81 -0.66 0.00 1.57 -0.93 -1.43 116.57 116.84 3dds h LYS 617 Ca 0.22 -0.21 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 3dds h LYS 617 Cb 0.16 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 3dds h LYS 617 CO -0.02 0.80 0.13 0.52 -0.57 0.00 0.00 179.45 180.31 3dds h MET 618 N 0.76 1.06 -0.48 3.15 2.86 -0.92 -2.35 114.93 119.01 3dds h MET 618 Ca 0.15 -0.26 -0.05 0.00 -2.06 0.00 0.00 59.70 57.48 3dds h MET 618 Cb 0.43 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 3dds h MET 618 CO 0.02 0.96 0.12 0.82 1.06 0.00 0.00 176.91 179.88 3dds h ILE 619 N 1.00 1.24 -0.45 -1.22 2.04 -0.77 -0.56 117.51 118.79 3dds h ILE 619 Ca 0.21 -0.84 0.06 0.00 1.00 0.00 0.00 64.86 65.28 3dds h ILE 619 Cb 0.39 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 37.28 3dds h ILE 619 CO 0.01 0.30 0.16 0.40 0.00 0.00 0.00 178.15 179.02 3dds h ILE 620 N 0.66 0.85 -0.48 -0.67 2.04 -1.17 -1.55 117.51 117.17 3dds h ILE 620 Ca 0.15 -0.11 -0.04 0.00 1.00 0.00 0.00 64.86 65.85 3dds h ILE 620 Cb 0.33 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 3dds h ILE 620 CO 0.00 0.06 0.12 0.50 0.00 0.00 0.00 178.15 178.83 3dds h LYS 621 N 0.33 0.73 -0.46 2.37 1.63 -1.05 -1.44 116.57 118.69 3dds h LYS 621 Ca 0.21 -0.14 -0.02 0.00 -0.85 0.00 0.00 60.65 59.85 3dds h LYS 621 Cb 0.22 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.71 3dds h LYS 621 CO -0.22 0.66 0.19 1.25 -3.45 0.00 0.00 179.45 177.88 3dds h LEU 622 N 0.71 0.62 -0.16 5.20 5.85 -0.66 -1.02 115.31 125.85 3dds h LEU 622 Ca 0.16 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3dds h LEU 622 Cb 0.27 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 3dds h LEU 622 CO -0.00 0.61 0.06 0.40 -0.34 0.00 0.00 178.44 179.17 3dds h ILE 623 N 0.59 1.15 -0.37 4.05 2.04 -0.77 -0.15 117.51 124.06 3dds h ILE 623 Ca 0.15 -0.46 -0.05 0.00 1.00 0.00 0.00 64.86 65.50 3dds h ILE 623 Cb 0.17 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 3dds h ILE 623 CO -0.01 0.14 0.01 0.71 0.00 0.00 0.00 178.15 179.00 3dds h THR 624 N 0.10 1.20 -0.23 -0.27 1.35 -1.25 0.12 112.91 113.93 3dds h THR 624 Ca 0.05 -0.80 -0.03 0.00 -0.55 0.00 0.00 66.41 65.08 3dds h THR 624 Cb 0.17 0.92 -0.01 0.00 -1.73 0.00 0.00 68.15 67.50 3dds h THR 624 CO -0.00 0.28 0.02 0.28 -0.25 0.00 0.00 175.52 175.84 3dds h SER 625 N 0.55 0.39 -0.52 5.36 0.02 -0.93 -1.82 113.55 116.59 3dds h SER 625 Ca 0.12 -0.29 -0.01 0.00 -0.84 0.00 0.00 61.79 60.77 3dds h SER 625 Cb 0.34 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 3dds h SER 625 CO 0.01 0.58 0.28 0.58 -1.14 0.00 0.00 176.83 177.14 3dds h VAL 626 N 0.18 1.18 -0.44 2.27 2.07 -0.79 -2.86 116.25 117.85 3dds h VAL 626 Ca 0.07 -0.45 0.05 0.00 0.82 0.00 0.00 66.70 67.19 3dds h VAL 626 Cb 0.37 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 3dds h VAL 626 CO 0.01 0.19 0.19 0.00 0.02 0.00 0.00 177.57 177.98 3dds h ALA 627 N 1.12 0.55 -0.99 1.67 0.00 -0.91 -0.37 119.26 120.33 3dds h ALA 627 Ca 0.18 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.18 3dds h ALA 627 Cb 0.05 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 3dds h ALA 627 CO -0.03 -0.18 0.64 -0.44 0.00 0.00 0.00 179.25 179.24 3dds h ASP 628 N 0.39 1.03 0.05 0.00 3.32 -1.16 0.11 116.42 120.17 3dds h ASP 628 Ca 0.20 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 3dds h ASP 628 Cb 0.15 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.48 3dds h ASP 628 CO -0.17 0.67 -0.03 0.58 -1.72 0.00 0.00 179.24 178.58 3dds h VAL 629 N 1.18 1.28 -0.35 -1.35 2.07 -1.24 -3.17 116.25 114.67 3dds h VAL 629 Ca 0.42 -1.27 -0.01 0.00 0.82 0.00 0.00 66.70 66.66 3dds h VAL 629 Cb 0.12 2.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 3dds h VAL 629 CO -0.16 0.31 0.18 0.58 0.02 0.00 0.00 177.57 178.51 3dds h VAL 630 N -0.66 1.14 0.00 2.57 2.07 -0.81 -2.42 116.25 118.15 3dds h VAL 630 Ca -0.01 -0.39 -0.05 0.00 0.82 0.00 0.00 66.70 67.08 3dds h VAL 630 Cb 0.57 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 3dds h VAL 630 CO 0.01 0.15 -0.24 0.78 0.02 0.00 0.00 177.57 178.29 3dds h ASN 631 N 0.43 0.00 -0.24 0.57 2.35 -0.93 -3.17 115.58 114.59 3dds h ASN 631 Ca 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 3dds h ASN 631 Cb 0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.44 3dds h ASN 631 CO -0.02 0.24 0.00 0.59 -1.65 0.00 0.00 177.43 176.59 3dds n ASN 632 N -3.74 2.77 -4.62 5.81 3.02 -1.12 -4.89 115.26 112.48 3dds n ASN 632 Ca -0.01 -1.81 -0.42 0.00 -0.03 0.00 0.00 54.58 52.30 3dds n ASN 632 Cb 0.35 -0.15 -0.04 0.00 -0.61 0.00 0.00 39.78 39.32 3dds n ASN 632 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3dds s ASP 633 N -1.15 6.77 0.56 6.41 -1.08 -0.93 -4.93 116.67 122.32 3dds s ASP 633 Ca 0.25 0.82 0.34 0.00 -0.52 0.00 0.00 52.55 53.44 3dds s ASP 633 Cb 0.15 -2.45 1.47 0.00 -1.46 0.00 0.00 42.92 40.62 3dds s ASP 633 CO 0.21 -0.69 2.02 1.55 0.52 0.00 0.00 175.17 178.78 3dds h PRO 634 N 8.07 0.00 0.00 4.34 0.13 -1.91 -1.86 132.00 140.77 3dds h PRO 634 Ca -0.23 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.89 3dds h PRO 634 Cb 1.08 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 3dds h PRO 634 CO 0.93 0.02 -0.07 1.98 -0.23 0.00 0.00 178.00 180.63 3dds h MET 635 N 0.00 0.00 0.00 0.86 4.05 -1.97 -3.32 114.93 114.55 3dds h MET 635 Ca -0.00 0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 59.37 3dds h MET 635 Cb 0.46 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.26 3dds h MET 635 CO 0.00 0.07 -0.47 0.28 0.23 0.00 0.00 176.91 177.03 3dds h VAL 636 N 0.00 0.45 0.00 -5.77 2.07 -1.68 -3.48 116.25 107.84 3dds h VAL 636 Ca -0.00 -1.44 0.00 0.00 0.82 0.00 0.00 66.70 66.08 3dds h VAL 636 Cb 0.85 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 3dds h VAL 636 CO 0.01 0.15 0.00 0.61 0.02 0.00 0.00 177.57 178.36 3dds n GLY 637 N 1.62 3.03 0.00 2.17 0.00 -0.99 -2.58 105.19 108.44 3dds n GLY 637 Ca -0.11 -0.31 0.10 0.00 0.00 0.00 0.00 46.02 45.70 3dds n GLY 637 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3dds n SER 638 N 1.53 0.00 0.02 1.61 3.41 -1.26 -3.10 113.62 115.83 3dds n SER 638 Ca 0.00 -0.86 -0.05 0.00 -0.26 0.00 0.00 58.87 57.71 3dds n SER 638 Cb 0.00 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.11 3dds n SER 638 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3dds h LYS 639 N 0.00 0.47 -2.46 4.33 1.57 -1.86 -3.44 116.57 115.19 3dds h LYS 639 Ca 0.00 -0.21 -0.07 0.00 -1.87 0.00 0.00 60.65 58.49 3dds h LYS 639 Cb 0.00 -0.01 -0.26 0.00 0.08 0.00 0.00 32.23 32.04 3dds h LYS 639 CO 0.00 0.76 -0.31 -1.17 -0.57 0.00 0.00 179.45 178.16 3dds s LEU 640 N -8.52 -0.60 0.03 2.94 2.96 -1.18 -1.80 118.68 112.52 3dds s LEU 640 Ca -0.07 1.06 0.05 0.00 -0.22 0.00 0.00 54.13 54.96 3dds s LEU 640 Cb 0.13 1.51 -0.02 0.00 0.50 0.00 0.00 46.19 48.31 3dds s LEU 640 CO 0.80 -0.22 -0.15 -0.54 -1.32 0.00 0.00 176.35 174.91 3dds s LYS 641 N 2.33 1.05 -0.07 1.98 -0.14 -1.05 -4.62 119.74 119.23 3dds s LYS 641 Ca -0.04 -0.76 0.03 0.00 -1.36 0.00 0.00 55.97 53.83 3dds s LYS 641 Cb -0.11 -1.08 0.01 0.00 -1.68 0.00 0.00 37.83 34.97 3dds s LYS 641 CO -0.14 0.27 -0.14 0.08 -0.76 0.00 0.00 175.35 174.66 3dds s VAL 642 N -0.78 1.28 -0.11 3.17 1.01 -1.26 -0.59 120.40 123.12 3dds s VAL 642 Ca 0.03 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.47 3dds s VAL 642 Cb -0.08 -1.15 0.01 0.00 0.00 0.00 0.00 36.38 35.16 3dds s VAL 642 CO 0.01 0.39 -0.18 -0.63 0.00 0.00 0.00 175.10 174.69 3dds s ILE 643 N 0.62 1.66 -0.48 2.22 -1.09 -0.11 -4.82 121.20 119.19 3dds s ILE 643 Ca -0.15 -0.75 -0.24 0.00 -2.23 0.00 0.00 60.65 57.27 3dds s ILE 643 Cb -0.16 -1.49 0.03 0.00 -1.58 0.00 0.00 42.46 39.26 3dds s ILE 643 CO 0.05 0.47 0.88 0.12 -1.23 0.00 0.00 174.94 175.23 3dds s PHE 644 N 0.80 2.91 -0.43 3.97 5.36 -1.26 -1.54 117.98 127.80 3dds s PHE 644 Ca -0.10 0.18 -0.29 0.00 -0.96 0.00 0.00 56.93 55.76 3dds s PHE 644 Cb -0.16 -3.89 0.02 0.00 -0.34 0.00 0.00 43.02 38.65 3dds s PHE 644 CO 0.01 -1.14 1.20 -1.17 -1.46 0.00 0.00 175.22 172.67 3dds s LEU 645 N 3.64 3.69 0.33 6.12 2.96 -0.21 -4.98 118.68 130.23 3dds s LEU 645 Ca 0.32 0.69 -0.20 0.00 -0.22 0.00 0.00 54.13 54.73 3dds s LEU 645 Cb -0.12 -3.55 -0.10 0.00 0.50 0.00 0.00 46.19 42.93 3dds s LEU 645 CO 0.23 -1.22 0.84 -1.61 -1.32 0.00 0.00 176.35 173.26 3dds s GLU 646 N 4.42 4.25 -1.35 1.98 2.02 -1.26 -3.92 118.70 124.84 3dds s GLU 646 Ca 0.51 0.98 -0.08 0.00 0.02 0.00 0.00 54.97 56.40 3dds s GLU 646 Cb -0.10 -2.54 0.02 0.00 0.10 0.00 0.00 34.13 31.61 3dds s GLU 646 CO 0.29 0.18 1.14 -1.71 0.02 0.00 0.00 175.26 175.18 3dds n ASN 647 N 0.00 -5.58 -4.69 -0.19 5.15 -1.25 -4.91 115.26 103.80 3dds n ASN 647 Ca 0.03 -0.58 -0.44 0.00 -0.60 0.00 0.00 54.58 52.99 3dds n ASN 647 Cb 0.52 -4.92 -0.04 0.00 -0.53 0.00 0.00 39.78 34.81 3dds n ASN 647 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3dds n TYR 648 N -4.86 2.48 -3.83 1.20 9.36 -1.26 -4.88 117.16 115.38 3dds n TYR 648 Ca -0.03 0.14 -0.06 0.00 3.32 0.00 0.00 57.90 61.27 3dds n TYR 648 Cb 0.57 -2.61 0.01 0.00 -0.63 0.00 0.00 39.34 36.68 3dds n TYR 648 CO 0.00 0.00 0.00 -0.98 0.22 0.00 0.00 176.86 176.10 3dds s ARG 649 N 1.31 1.70 0.15 2.98 1.70 -1.26 -4.70 118.95 120.83 3dds s ARG 649 Ca 0.78 -1.04 -0.17 0.00 -0.47 0.00 0.00 55.73 54.83 3dds s ARG 649 Cb -0.60 0.51 0.05 0.00 -0.57 0.00 0.00 34.95 34.34 3dds s ARG 649 CO 0.36 -0.79 1.74 0.28 -1.08 0.00 0.00 175.30 175.81 3dds h VAL 650 N 2.00 0.86 -0.18 4.99 2.07 -1.94 0.79 116.25 124.84 3dds h VAL 650 Ca -0.27 -0.07 -0.05 0.00 0.82 0.00 0.00 66.70 67.13 3dds h VAL 650 Cb 1.24 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 3dds h VAL 650 CO 0.33 0.04 -0.10 0.77 0.02 0.00 0.00 177.57 178.63 3dds h SER 651 N 0.21 0.27 0.51 0.57 4.64 -1.96 -2.05 113.55 115.73 3dds h SER 651 Ca 0.15 -0.05 -0.25 0.00 -0.47 0.00 0.00 61.79 61.17 3dds h SER 651 Cb 0.15 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3dds h SER 651 CO -0.19 0.40 -1.09 0.25 -0.87 0.00 0.00 176.83 175.33 3dds h LEU 652 N 0.27 0.45 -0.82 5.97 5.85 -1.69 -3.13 115.31 122.22 3dds h LEU 652 Ca 0.06 -0.43 0.11 0.00 0.84 0.00 0.00 57.88 58.46 3dds h LEU 652 Cb 0.35 -0.14 -0.08 0.00 0.37 0.00 0.00 40.66 41.15 3dds h LEU 652 CO 0.02 1.28 0.45 0.00 -0.34 0.00 0.00 178.44 179.85 3dds h ALA 653 N 0.68 1.19 0.00 1.25 0.00 -0.40 -0.95 119.26 121.03 3dds h ALA 653 Ca -0.11 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3dds h ALA 653 Cb 1.78 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.47 3dds h ALA 653 CO 0.18 0.04 -0.02 0.93 0.00 0.00 0.00 179.25 180.38 3dds h GLU 654 N 0.73 0.00 0.05 0.00 5.08 -1.33 -1.52 114.58 117.60 3dds h GLU 654 Ca 0.41 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.61 3dds h GLU 654 Cb 0.44 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 3dds h GLU 654 CO -0.28 0.02 -0.82 0.87 -1.00 0.00 0.00 179.01 177.80 3dds h LYS 655 N 0.00 0.11 0.12 2.33 1.57 -1.22 -3.40 116.57 116.09 3dds h LYS 655 Ca -0.00 -0.20 -0.29 0.00 -1.87 0.00 0.00 60.65 58.30 3dds h LYS 655 Cb 0.04 0.07 0.02 0.00 0.08 0.00 0.00 32.23 32.44 3dds h LYS 655 CO 0.00 1.09 -1.23 -0.24 -0.57 0.00 0.00 179.45 178.51 3dds h VAL 656 N -0.71 1.33 -0.13 0.50 3.04 -1.15 -3.36 116.25 115.78 3dds h VAL 656 Ca -0.19 -2.58 0.02 0.00 -1.01 0.00 0.00 66.70 62.94 3dds h VAL 656 Cb 1.38 2.73 -0.02 0.00 -2.01 0.00 0.00 31.29 33.37 3dds h VAL 656 CO -0.01 0.78 -0.02 0.40 -1.01 0.00 0.00 177.57 177.70 3dds h ILE 657 N 0.23 0.88 0.00 3.17 2.04 -1.51 -1.40 117.51 120.92 3dds h ILE 657 Ca -0.17 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.69 3dds h ILE 657 Cb 1.91 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 38.86 3dds h ILE 657 CO 0.23 0.00 0.00 -0.65 0.00 0.00 0.00 178.15 177.73 3dds h PRO 658 N 0.01 0.00 -0.13 2.37 0.11 -1.78 -2.25 132.00 130.33 3dds h PRO 658 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 3dds h PRO 658 Cb 0.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.20 3dds h PRO 658 CO -0.12 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.67 3dds n ALA 659 N -2.06 2.52 -2.54 -0.75 0.00 -0.54 -4.73 120.51 112.42 3dds n ALA 659 Ca -0.03 -0.57 -0.38 0.00 0.00 0.00 0.00 53.44 52.46 3dds n ALA 659 Cb 0.09 -1.06 -0.06 0.00 0.00 0.00 0.00 19.45 18.42 3dds n ALA 659 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3dds s THR 660 N -1.84 5.06 -0.23 0.00 2.01 -0.85 -4.62 115.64 115.17 3dds s THR 660 Ca 0.34 0.86 -0.09 0.00 0.31 0.00 0.00 61.69 63.12 3dds s THR 660 Cb 0.19 -3.73 -0.18 0.00 0.01 0.00 0.00 72.50 68.79 3dds s THR 660 CO 0.30 0.52 -0.06 0.47 -0.69 0.00 0.00 174.62 175.16 3dds n ASP 661 N 2.23 1.98 -4.07 3.53 8.00 -0.45 -4.01 116.55 123.77 3dds n ASP 661 Ca -0.12 0.18 -0.30 0.00 0.71 0.00 0.00 54.79 55.25 3dds n ASP 661 Cb 0.52 -0.73 -0.16 0.00 -0.02 0.00 0.00 41.12 40.72 3dds n ASP 661 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3dds s LEU 662 N -7.18 1.82 -0.26 0.64 2.96 -0.38 -0.65 118.68 115.64 3dds s LEU 662 Ca -0.32 -0.51 -0.12 0.00 -0.22 0.00 0.00 54.13 52.95 3dds s LEU 662 Cb 0.10 -1.24 -0.05 0.00 0.50 0.00 0.00 46.19 45.50 3dds s LEU 662 CO 0.60 -0.01 0.23 -0.55 -1.32 0.00 0.00 176.35 175.30 3dds s SER 663 N 1.22 6.13 -0.29 3.68 0.15 0.83 -1.06 113.70 124.36 3dds s SER 663 Ca 0.00 0.13 -0.19 0.00 0.70 0.00 0.00 55.95 56.58 3dds s SER 663 Cb -0.14 -2.14 -0.02 0.00 -1.71 0.00 0.00 66.02 62.02 3dds s SER 663 CO -0.07 -0.03 0.59 -1.61 1.20 0.00 0.00 173.24 173.31 3dds s GLU 664 N 1.51 3.96 -0.44 5.44 0.41 -0.57 -1.40 118.70 127.61 3dds s GLU 664 Ca 0.10 0.31 0.06 0.00 -0.41 0.00 0.00 54.97 55.02 3dds s GLU 664 Cb -0.15 -3.70 0.21 0.00 -1.78 0.00 0.00 34.13 28.71 3dds s GLU 664 CO 0.08 -0.49 0.44 1.04 -0.49 0.00 0.00 175.26 175.84 3dds n GLN 665 N 5.75 0.64 -0.62 1.61 1.13 -0.57 -4.76 117.38 120.56 3dds n GLN 665 Ca -0.02 -3.37 0.06 0.00 -1.94 0.00 0.00 57.00 51.73 3dds n GLN 665 Cb 0.49 -1.57 0.20 0.00 0.11 0.00 0.00 30.24 29.47 3dds n GLN 665 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 3dds n ILE 666 N 2.11 2.11 -1.60 5.09 -5.35 -1.26 -2.54 119.36 117.92 3dds n ILE 666 Ca 0.26 -3.13 -0.35 0.00 -0.27 0.00 0.00 62.75 59.26 3dds n ILE 666 Cb 0.49 -0.19 0.08 0.00 -1.74 0.00 0.00 39.64 38.28 3dds n ILE 666 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3dds s SER 667 N -3.18 4.44 0.25 7.28 1.04 -1.25 -4.67 113.70 117.61 3dds s SER 667 Ca 0.38 2.45 -0.30 0.00 0.48 0.00 0.00 55.95 58.96 3dds s SER 667 Cb 0.37 -2.60 -0.10 0.00 0.10 0.00 0.00 66.02 63.78 3dds s SER 667 CO -0.07 -2.10 1.49 -0.89 0.98 0.00 0.00 173.24 172.64 3dds s THR 668 N -1.74 2.52 0.07 2.02 2.01 -1.15 -4.64 115.64 114.73 3dds s THR 668 Ca 0.78 0.43 -0.36 0.00 0.31 0.00 0.00 61.69 62.85 3dds s THR 668 Cb -0.32 -3.27 -0.15 0.00 0.01 0.00 0.00 72.50 68.77 3dds s THR 668 CO 0.42 0.06 1.53 0.00 -0.69 0.00 0.00 174.62 175.94 3dds n ALA 669 N 2.46 0.24 -0.09 7.40 0.00 -1.26 -1.76 120.51 127.50 3dds n ALA 669 Ca 0.08 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.97 3dds n ALA 669 Cb 0.39 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.60 3dds n ALA 669 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dds n GLY 670 N 3.21 0.53 0.07 0.00 0.00 -1.26 -4.73 105.19 103.01 3dds n GLY 670 Ca 0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.11 3dds n GLY 670 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3dds n THR 671 N -2.00 0.90 -3.01 2.61 -2.24 -0.72 -4.88 114.28 104.94 3dds n THR 671 Ca 0.00 -0.42 -0.43 0.00 -2.27 0.00 0.00 64.05 60.93 3dds n THR 671 Cb 0.00 -0.93 -0.06 0.00 -2.10 0.00 0.00 70.33 67.24 3dds n THR 671 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3dds s GLU 672 N -2.32 3.36 0.19 -0.78 2.56 -1.26 -4.81 118.70 115.64 3dds s GLU 672 Ca -0.16 -0.19 -0.13 0.00 0.00 0.00 0.00 54.97 54.49 3dds s GLU 672 Cb 0.05 -3.94 0.20 0.00 2.00 0.00 0.00 34.13 32.43 3dds s GLU 672 CO 0.42 -1.08 1.71 0.00 -0.56 0.00 0.00 175.26 175.75 3dds h ALA 673 N 8.95 0.54 0.00 6.30 0.00 -1.90 -2.83 119.26 130.32 3dds h ALA 673 Ca -0.25 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3dds h ALA 673 Cb 1.09 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3dds h ALA 673 CO 0.94 -0.33 0.00 0.45 0.00 0.00 0.00 179.25 180.31 3dds n SER 674 N -5.14 -0.41 0.00 0.00 2.88 -1.26 -4.17 113.62 105.52 3dds n SER 674 Ca 0.06 0.50 0.00 0.00 -1.33 0.00 0.00 58.87 58.09 3dds n SER 674 Cb 0.25 0.60 0.00 0.00 -0.75 0.00 0.00 64.21 64.32 3dds n SER 674 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3dds n GLY 675 N 1.32 -0.79 0.00 0.46 0.00 -1.26 -0.65 105.19 104.27 3dds n GLY 675 Ca 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.60 3dds n GLY 675 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3dds n THR 676 N 0.06 0.00 -0.23 2.61 -2.24 -1.26 -4.75 114.28 108.47 3dds n THR 676 Ca 0.00 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.80 3dds n THR 676 Cb 0.00 -0.16 0.14 0.00 -2.10 0.00 0.00 70.33 68.21 3dds n THR 676 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3dds h GLY 677 N 0.00 0.98 -0.37 3.38 0.00 -1.96 -1.33 103.07 103.77 3dds h GLY 677 Ca 0.00 -0.14 0.23 0.00 0.00 0.00 0.00 47.33 47.42 3dds h GLY 677 CO 0.00 -0.04 0.28 3.45 0.00 0.00 0.00 176.54 180.23 3dds h ASN 678 N 0.44 0.10 -0.42 0.19 -1.07 -1.95 -0.94 115.58 111.94 3dds h ASN 678 Ca 0.35 0.18 -0.15 0.00 0.07 0.00 0.00 56.30 56.76 3dds h ASN 678 Cb 0.47 0.22 -0.01 0.00 -2.07 0.00 0.00 38.32 36.94 3dds h ASN 678 CO -0.34 -0.11 -0.31 0.24 0.07 0.00 0.00 177.43 176.97 3dds h MET 679 N 0.26 0.95 -0.41 4.14 2.86 -1.57 -2.48 114.93 118.68 3dds h MET 679 Ca 0.55 -0.46 0.02 0.00 -2.06 0.00 0.00 59.70 57.75 3dds h MET 679 Cb 1.10 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.73 3dds h MET 679 CO -0.61 1.12 0.24 0.87 1.06 0.00 0.00 176.91 179.59 3dds h LYS 680 N 0.78 0.47 -0.46 1.72 1.57 -0.76 -1.23 116.57 118.65 3dds h LYS 680 Ca 0.08 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 3dds h LYS 680 Cb 0.90 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.08 3dds h LYS 680 CO 0.08 0.31 0.15 0.74 -0.57 0.00 0.00 179.45 180.16 3dds h PHE 681 N 0.48 0.74 -0.68 -1.35 0.04 -1.26 -2.57 116.94 112.34 3dds h PHE 681 Ca 0.16 -0.07 0.02 0.00 2.80 0.00 0.00 57.97 60.89 3dds h PHE 681 Cb 0.02 -0.21 -0.04 0.00 2.20 0.00 0.00 35.95 37.91 3dds h PHE 681 CO -0.07 0.65 0.43 1.98 -0.60 0.00 0.00 178.31 180.70 3dds h MET 682 N 0.61 0.83 0.00 1.51 4.05 -1.26 -2.15 114.93 118.53 3dds h MET 682 Ca 0.15 -0.05 -0.04 0.00 -0.28 0.00 0.00 59.70 59.48 3dds h MET 682 Cb 0.26 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 30.86 3dds h MET 682 CO -0.01 0.55 -0.19 1.25 0.23 0.00 0.00 176.91 178.74 3dds h LEU 683 N 0.86 0.00 -2.96 3.39 5.85 -1.08 -3.22 115.31 118.15 3dds h LEU 683 Ca 0.27 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.99 3dds h LEU 683 Cb -0.02 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.01 3dds h LEU 683 CO -0.09 0.19 0.00 0.59 -0.34 0.00 0.00 178.44 178.79 3dds n ASN 684 N -3.74 4.00 0.00 1.25 3.02 -0.86 -4.92 115.26 114.01 3dds n ASN 684 Ca -0.02 -2.23 0.00 0.00 -0.03 0.00 0.00 54.58 52.30 3dds n ASN 684 Cb 0.30 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 39.01 3dds n ASN 684 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dds n GLY 685 N 1.04 1.01 3.91 7.41 0.00 -1.03 -4.79 105.19 112.74 3dds n GLY 685 Ca 0.22 -0.37 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 3dds n GLY 685 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dds s ALA 686 N -2.00 3.97 0.34 4.61 0.00 -0.89 -4.80 121.76 122.99 3dds s ALA 686 Ca 0.00 -0.82 -0.08 0.00 0.00 0.00 0.00 51.96 51.07 3dds s ALA 686 Cb 0.00 -1.84 -0.06 0.00 0.00 0.00 0.00 23.12 21.23 3dds s ALA 686 CO 0.00 0.80 0.65 -0.51 0.00 0.00 0.00 175.76 176.70 3dds s LEU 687 N -2.29 3.96 -0.18 0.00 1.43 0.18 -4.40 118.68 117.38 3dds s LEU 687 Ca 0.32 0.91 -0.03 0.00 -1.03 0.00 0.00 54.13 54.30 3dds s LEU 687 Cb -0.13 -3.75 -0.02 0.00 0.03 0.00 0.00 46.19 42.32 3dds s LEU 687 CO 0.24 -0.28 -0.06 -0.89 0.23 0.00 0.00 176.35 175.59 3dds s THR 688 N -2.21 3.47 -0.26 5.49 2.01 -1.26 -0.12 115.64 122.76 3dds s THR 688 Ca 0.47 -0.49 -0.10 0.00 0.31 0.00 0.00 61.69 61.88 3dds s THR 688 Cb -0.11 -2.53 -0.05 0.00 0.01 0.00 0.00 72.50 69.83 3dds s THR 688 CO 0.30 0.47 0.16 -0.51 -0.69 0.00 0.00 174.62 174.36 3dds s ILE 689 N 0.84 5.24 0.15 1.82 2.07 -0.49 -0.41 121.20 130.41 3dds s ILE 689 Ca -0.02 0.14 -0.24 0.00 -1.41 0.00 0.00 60.65 59.12 3dds s ILE 689 Cb -0.15 -3.47 0.07 0.00 0.13 0.00 0.00 42.46 39.05 3dds s ILE 689 CO 0.01 0.30 1.01 -0.83 -1.91 0.00 0.00 174.94 173.52 3dds s GLY 690 N 1.42 -0.14 0.60 1.50 0.00 -0.56 -1.51 107.32 108.63 3dds s GLY 690 Ca 0.07 0.02 -0.06 0.00 0.00 0.00 0.00 44.72 44.75 3dds s GLY 690 CO 0.07 0.67 0.91 -0.51 0.00 0.00 0.00 173.10 174.25 3dds s THR 691 N -2.89 3.66 -1.31 0.90 -4.23 -1.05 -1.73 115.64 108.99 3dds s THR 691 Ca 0.15 0.04 -0.17 0.00 -1.18 0.00 0.00 61.69 60.52 3dds s THR 691 Cb -0.01 -3.46 0.03 0.00 1.34 0.00 0.00 72.50 70.40 3dds s THR 691 CO 0.03 -0.48 1.92 0.23 -0.54 0.00 0.00 174.62 175.78 3dds n MET 692 N -2.61 2.85 -4.03 3.99 2.81 -1.26 -4.67 117.12 114.20 3dds n MET 692 Ca 0.05 -2.91 -0.12 0.00 -1.81 0.00 0.00 57.70 52.91 3dds n MET 692 Cb 0.57 -3.42 -0.12 0.00 -0.71 0.00 0.00 33.22 29.55 3dds n MET 692 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3dds s ASP 693 N 4.16 0.56 0.39 7.83 2.15 -1.26 -4.65 116.67 125.85 3dds s ASP 693 Ca 0.53 -0.48 0.00 0.00 0.43 0.00 0.00 52.55 53.03 3dds s ASP 693 Cb 0.07 0.05 0.00 0.00 -0.30 0.00 0.00 42.92 42.75 3dds s ASP 693 CO 0.03 -0.22 0.00 0.61 -0.17 0.00 0.00 175.17 175.43 3dds n GLY 694 N 1.67 2.19 0.00 2.66 0.00 -1.07 -1.30 105.19 109.34 3dds n GLY 694 Ca -0.22 -0.18 0.09 0.00 0.00 0.00 0.00 46.02 45.71 3dds n GLY 694 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dds n ALA 695 N 7.06 1.88 -0.35 4.61 0.00 0.18 -3.00 120.51 130.89 3dds n ALA 695 Ca 0.00 -0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.49 3dds n ALA 695 Cb 0.00 -1.31 0.30 0.00 0.00 0.00 0.00 19.45 18.44 3dds n ALA 695 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3dds h ASN 696 N 0.00 0.82 -0.76 0.00 2.35 -1.38 0.38 115.58 116.99 3dds h ASN 696 Ca 0.00 0.08 0.01 0.00 -0.55 0.00 0.00 56.30 55.84 3dds h ASN 696 Cb 0.33 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 38.59 3dds h ASN 696 CO 0.00 0.34 0.50 0.58 -1.65 0.00 0.00 177.43 177.19 3dds h VAL 697 N 0.82 1.18 -0.01 2.81 2.07 -1.61 -1.51 116.25 120.00 3dds h VAL 697 Ca 0.55 -0.35 -0.17 0.00 0.82 0.00 0.00 66.70 67.55 3dds h VAL 697 Cb 0.79 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 3dds h VAL 697 CO -0.34 0.18 -0.78 -0.33 0.02 0.00 0.00 177.57 176.32 3dds h GLU 698 N 1.01 0.13 -0.87 1.57 5.08 -1.48 -1.80 114.58 118.22 3dds h GLU 698 Ca 0.28 -0.13 0.01 0.00 -1.00 0.00 0.00 59.36 58.53 3dds h GLU 698 Cb -0.09 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 3dds h GLU 698 CO -0.07 0.85 0.57 0.52 -1.00 0.00 0.00 179.01 179.88 3dds h MET 699 N 0.08 1.13 -0.64 2.33 2.86 -0.61 -0.42 114.93 119.66 3dds h MET 699 Ca -0.02 -0.07 -0.09 0.00 -2.06 0.00 0.00 59.70 57.46 3dds h MET 699 Cb 1.37 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 32.76 3dds h MET 699 CO 0.11 0.74 0.05 0.00 1.06 0.00 0.00 176.91 178.87 3dds h ALA 700 N 1.33 0.86 -0.74 6.32 0.00 -1.14 -1.16 119.26 124.73 3dds h ALA 700 Ca 0.32 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3dds h ALA 700 Cb -0.11 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.41 3dds h ALA 700 CO -0.08 0.68 0.48 0.93 0.00 0.00 0.00 179.25 181.25 3dds h GLU 701 N 1.02 0.98 -0.02 0.00 5.08 -0.89 0.19 114.58 120.93 3dds h GLU 701 Ca 0.19 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.41 3dds h GLU 701 Cb 0.52 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3dds h GLU 701 CO 0.02 0.66 -0.27 0.93 -1.00 0.00 0.00 179.01 179.36 3dds h GLU 702 N 1.00 0.23 0.00 2.33 4.39 -0.93 -3.35 114.58 118.25 3dds h GLU 702 Ca 0.27 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.76 3dds h GLU 702 Cb -0.09 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 3dds h GLU 702 CO -0.06 0.90 -0.79 0.00 -1.16 0.00 0.00 179.01 177.90 3dds h ALA 703 N 0.33 0.55 -0.04 3.43 0.00 -1.24 -3.46 119.26 118.83 3dds h ALA 703 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3dds h ALA 703 Cb 0.97 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3dds h ALA 703 CO 0.05 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.71 3dds n GLY 704 N 1.26 0.70 0.35 0.00 0.00 0.64 -4.66 105.19 103.47 3dds n GLY 704 Ca 0.02 -1.27 0.06 0.00 0.00 0.00 0.00 46.02 44.83 3dds n GLY 704 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3dds h GLU 705 N 0.00 0.73 0.00 1.61 4.81 -1.83 -0.59 114.58 119.31 3dds h GLU 705 Ca 0.00 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3dds h GLU 705 Cb 0.00 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.21 3dds h GLU 705 CO 0.00 0.49 -0.01 1.05 -0.73 0.00 0.00 179.01 179.81 3dds h GLU 706 N 0.76 0.00 -0.24 1.92 4.11 -1.90 -2.57 114.58 116.66 3dds h GLU 706 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.74 3dds h GLU 706 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3dds h GLU 706 CO -0.10 0.01 0.00 0.09 0.07 0.00 0.00 179.01 179.07 3dds n ASN 707 N -3.17 2.39 -4.49 3.06 3.02 -0.23 -4.80 115.26 111.03 3dds n ASN 707 Ca -0.02 -1.83 -0.25 0.00 -0.03 0.00 0.00 54.58 52.45 3dds n ASN 707 Cb 0.12 -0.15 -0.10 0.00 -0.61 0.00 0.00 39.78 39.03 3dds n ASN 707 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3dds s LEU 708 N -1.56 2.65 -1.16 3.41 1.02 -0.97 -4.77 118.68 117.30 3dds s LEU 708 Ca 0.34 -0.91 -0.10 0.00 0.02 0.00 0.00 54.13 53.49 3dds s LEU 708 Cb 0.19 -1.23 0.23 0.00 0.02 0.00 0.00 46.19 45.40 3dds s LEU 708 CO 0.28 0.06 1.35 0.49 0.02 0.00 0.00 176.35 178.55 3dds n PHE 709 N -0.36 4.60 -2.94 0.29 3.72 0.45 -4.97 117.46 118.25 3dds n PHE 709 Ca -0.08 -3.46 -0.40 0.00 -0.05 0.00 0.00 57.45 53.47 3dds n PHE 709 Cb 0.58 -1.85 -0.06 0.00 -0.94 0.00 0.00 39.48 37.22 3dds n PHE 709 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3dds s ILE 710 N -0.31 4.37 0.20 4.37 -1.09 -1.26 -1.49 121.20 125.99 3dds s ILE 710 Ca 0.36 1.77 -0.11 0.00 -2.23 0.00 0.00 60.65 60.44 3dds s ILE 710 Cb -0.04 -4.17 -0.00 0.00 -1.58 0.00 0.00 42.46 36.66 3dds s ILE 710 CO -0.02 0.49 0.37 0.72 -1.23 0.00 0.00 174.94 175.27 3dds s PHE 711 N -0.98 0.37 0.00 3.97 -0.71 -0.70 -4.94 117.98 114.98 3dds s PHE 711 Ca 0.37 -0.72 0.00 0.00 -1.04 0.00 0.00 56.93 55.54 3dds s PHE 711 Cb -0.23 0.05 0.00 0.00 -1.21 0.00 0.00 43.02 41.63 3dds s PHE 711 CO 0.27 -0.83 0.00 0.41 -1.34 0.00 0.00 175.22 173.73 3dds n GLY 712 N -0.29 -2.67 3.77 1.99 0.00 -1.26 -4.27 105.19 102.45 3dds n GLY 712 Ca -0.05 -1.72 -0.41 0.00 0.00 0.00 0.00 46.02 43.84 3dds n GLY 712 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3dds s MET 713 N -0.66 4.13 0.53 1.61 -1.94 -1.26 -4.92 119.30 116.79 3dds s MET 713 Ca 0.00 2.38 0.06 0.00 -1.71 0.00 0.00 55.69 56.42 3dds s MET 713 Cb 0.00 -2.94 0.05 0.00 2.01 0.00 0.00 34.83 33.95 3dds s MET 713 CO 0.00 -0.44 0.73 1.03 -0.01 0.00 0.00 175.02 176.33 3dds s ARG 714 N -2.05 2.48 0.36 2.03 0.52 -1.26 -4.45 118.95 116.58 3dds s ARG 714 Ca 0.53 -1.22 0.07 0.00 -0.52 0.00 0.00 55.73 54.59 3dds s ARG 714 Cb -0.43 -2.61 0.78 0.00 0.52 0.00 0.00 34.95 33.21 3dds s ARG 714 CO 0.57 -0.68 1.93 0.97 0.02 0.00 0.00 175.30 178.11 3dds h ILE 715 N 0.24 0.95 -0.07 1.52 2.10 -1.85 0.15 117.51 120.55 3dds h ILE 715 Ca -0.37 -0.25 -0.12 0.00 1.08 0.00 0.00 64.86 65.19 3dds h ILE 715 Cb 1.28 0.16 -0.01 0.00 -1.09 0.00 0.00 36.82 37.16 3dds h ILE 715 CO 0.45 0.13 -0.52 0.44 -1.08 0.00 0.00 178.15 177.57 3dds h ASP 716 N 0.72 0.20 -0.17 2.19 3.32 -1.96 -2.52 116.42 118.20 3dds h ASP 716 Ca 0.36 -0.10 -0.15 0.00 0.02 0.00 0.00 57.03 57.16 3dds h ASP 716 Cb 0.44 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 3dds h ASP 716 CO -0.14 0.69 -0.43 0.44 -1.72 0.00 0.00 179.24 178.08 3dds h ASP 717 N 0.14 0.78 -0.66 6.45 3.32 -1.13 -1.72 116.42 123.60 3dds h ASP 717 Ca 0.00 -0.37 -0.05 0.00 0.02 0.00 0.00 57.03 56.64 3dds h ASP 717 Cb 0.97 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.27 3dds h ASP 717 CO 0.08 1.10 0.23 0.58 -1.72 0.00 0.00 179.24 179.51 3dds h VAL 718 N 0.58 1.25 -0.76 -1.35 2.07 -1.16 -2.05 116.25 114.83 3dds h VAL 718 Ca 0.04 -0.81 -0.05 0.00 0.82 0.00 0.00 66.70 66.70 3dds h VAL 718 Cb 0.98 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 3dds h VAL 718 CO 0.09 0.32 0.29 0.00 0.02 0.00 0.00 177.57 178.29 3dds h ALA 719 N 1.10 1.07 -0.53 1.67 0.00 -1.32 -1.38 119.26 119.87 3dds h ALA 719 Ca 0.22 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 3dds h ALA 719 Cb 0.26 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3dds h ALA 719 CO -0.01 0.65 -0.03 0.00 0.00 0.00 0.00 179.25 179.86 3dds h ALA 720 N 1.19 0.95 -0.07 0.00 0.00 -1.12 -1.60 119.26 118.62 3dds h ALA 720 Ca 0.25 -0.30 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 3dds h ALA 720 Cb 0.23 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3dds h ALA 720 CO -0.02 0.63 -0.65 1.25 0.00 0.00 0.00 179.25 180.46 3dds h LEU 721 N 0.85 0.31 -0.67 0.00 5.85 -1.17 -1.42 115.31 119.05 3dds h LEU 721 Ca 0.15 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 3dds h LEU 721 Cb 0.54 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 3dds h LEU 721 CO 0.03 0.88 0.30 0.44 -0.34 0.00 0.00 178.44 179.75 3dds h ASP 722 N 0.19 0.90 0.23 1.25 3.32 -1.06 0.34 116.42 121.59 3dds h ASP 722 Ca -0.01 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 56.87 3dds h ASP 722 Cb 1.18 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.50 3dds h ASP 722 CO 0.10 0.81 -0.11 0.50 -1.72 0.00 0.00 179.24 178.82 3dds h LYS 723 N 0.94 -0.30 -0.75 3.56 1.63 -1.14 -3.09 116.57 117.43 3dds h LYS 723 Ca 0.23 0.02 0.02 0.00 -0.85 0.00 0.00 60.65 60.06 3dds h LYS 723 Cb 0.16 0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 31.82 3dds h LYS 723 CO -0.02 -0.04 0.49 -0.22 -3.45 0.00 0.00 179.45 176.21 3dds h LYS 724 N -0.53 0.96 0.00 1.90 3.64 -1.25 -3.49 116.57 117.79 3dds h LYS 724 Ca -0.03 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 3dds h LYS 724 Cb 0.40 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3dds h LYS 724 CO 0.05 0.63 0.00 0.41 -2.27 0.00 0.00 179.45 178.28 3dds n GLY 725 N -1.30 2.63 3.56 5.01 0.00 0.12 -5.05 105.19 110.16 3dds n GLY 725 Ca 0.08 -1.36 -0.41 0.00 0.00 0.00 0.00 46.02 44.33 3dds n GLY 725 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3dds s TYR 726 N 0.00 3.18 -0.48 1.61 5.04 -1.22 -4.87 117.35 120.60 3dds s TYR 726 Ca 0.00 0.21 -0.00 0.00 -2.44 0.00 0.00 57.07 54.84 3dds s TYR 726 Cb 0.00 -2.96 0.13 0.00 0.35 0.00 0.00 41.96 39.48 3dds s TYR 726 CO 0.00 -0.55 0.26 -1.21 -1.34 0.00 0.00 175.55 172.71 3dds s GLU 727 N 2.45 2.08 0.39 4.97 0.41 -1.26 -4.98 118.70 122.76 3dds s GLU 727 Ca 0.20 -2.19 0.07 0.00 -0.41 0.00 0.00 54.97 52.64 3dds s GLU 727 Cb -0.15 -3.52 0.83 0.00 -1.78 0.00 0.00 34.13 29.51 3dds s GLU 727 CO 0.13 -1.09 2.02 0.00 -0.49 0.00 0.00 175.26 175.84 3dds h ALA 728 N 7.39 1.73 -0.93 5.21 0.00 -1.85 -2.62 119.26 128.18 3dds h ALA 728 Ca -0.07 -0.03 0.23 0.00 0.00 0.00 0.00 54.91 55.04 3dds h ALA 728 Cb 0.99 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.54 3dds h ALA 728 CO 0.67 0.21 0.62 -0.22 0.00 0.00 0.00 179.25 180.53 3dds h LYS 729 N 0.62 0.32 -0.50 0.00 3.64 -1.90 -1.77 116.57 116.98 3dds h LYS 729 Ca 0.22 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.53 3dds h LYS 729 Cb 0.10 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 3dds h LYS 729 CO -0.06 0.21 0.13 0.93 -2.27 0.00 0.00 179.45 178.40 3dds h GLU 730 N 0.33 0.75 -0.11 1.90 5.08 -1.90 -1.01 114.58 119.61 3dds h GLU 730 Ca 0.49 -0.14 -0.16 0.00 -1.00 0.00 0.00 59.36 58.55 3dds h GLU 730 Cb 1.34 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 30.48 3dds h GLU 730 CO -0.17 0.67 -0.57 1.88 -1.00 0.00 0.00 179.01 179.83 3dds h TYR 731 N 0.73 0.78 -0.84 4.33 0.05 -1.51 -2.32 116.97 118.19 3dds h TYR 731 Ca 0.16 -0.35 0.08 0.00 0.05 0.00 0.00 58.73 58.68 3dds h TYR 731 Cb 0.26 -0.12 -0.07 0.00 1.01 0.00 0.00 36.73 37.81 3dds h TYR 731 CO 0.01 1.14 0.50 -0.92 -1.05 0.00 0.00 178.16 177.84 3dds h TYR 732 N 0.21 0.92 0.00 4.88 3.20 -1.31 -1.43 116.97 123.43 3dds h TYR 732 Ca -0.04 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.72 3dds h TYR 732 Cb 1.21 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 39.17 3dds h TYR 732 CO 0.11 0.42 -0.65 0.93 -1.64 0.00 0.00 178.16 177.33 3dds h GLU 733 N 0.88 0.00 0.00 1.82 5.08 -1.20 -3.33 114.58 117.82 3dds h GLU 733 Ca 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 3dds h GLU 733 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3dds h GLU 733 CO -0.21 0.65 -0.95 0.00 -1.00 0.00 0.00 179.01 177.49 3dds h ALA 734 N 1.35 0.51 -3.48 3.43 0.00 -1.07 -3.44 119.26 116.56 3dds h ALA 734 Ca -0.01 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.23 3dds h ALA 734 Cb 1.38 0.00 -0.38 0.00 0.00 0.00 0.00 17.79 18.80 3dds h ALA 734 CO 0.08 0.00 -0.66 -0.51 0.00 0.00 0.00 179.25 178.17 3dds s LEU 735 N -5.24 4.91 0.29 0.00 1.43 -0.57 -5.00 118.68 114.50 3dds s LEU 735 Ca 0.00 -2.07 0.03 0.00 -1.03 0.00 0.00 54.13 51.06 3dds s LEU 735 Cb 0.10 -1.71 0.64 0.00 0.03 0.00 0.00 46.19 45.25 3dds s LEU 735 CO 0.78 -0.44 1.81 -0.65 0.23 0.00 0.00 176.35 178.08 3dds h PRO 736 N 7.79 0.85 -0.48 1.29 0.11 -1.86 -1.84 132.00 137.87 3dds h PRO 736 Ca -0.08 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.87 3dds h PRO 736 Cb 1.03 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.93 3dds h PRO 736 CO 0.59 0.56 -0.14 0.93 -0.21 0.00 0.00 178.00 179.73 3dds h GLU 737 N 0.88 0.92 -0.28 1.05 5.08 -1.94 -2.30 114.58 117.98 3dds h GLU 737 Ca 0.53 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 3dds h GLU 737 Cb 0.68 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 3dds h GLU 737 CO -0.32 0.99 0.12 1.25 -1.00 0.00 0.00 179.01 180.05 3dds h LEU 738 N 0.81 0.38 -0.56 1.33 5.85 -1.76 -2.56 115.31 118.80 3dds h LEU 738 Ca 0.12 -0.16 0.08 0.00 0.84 0.00 0.00 57.88 58.77 3dds h LEU 738 Cb 0.68 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.55 3dds h LEU 738 CO 0.05 0.43 0.20 0.50 -0.34 0.00 0.00 178.44 179.28 3dds h LYS 739 N 0.30 0.36 0.04 1.25 3.64 -1.14 0.37 116.57 121.38 3dds h LYS 739 Ca 0.09 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3dds h LYS 739 Cb 0.17 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.90 3dds h LYS 739 CO -0.01 0.24 -0.03 1.25 -2.27 0.00 0.00 179.45 178.63 3dds h LEU 740 N 0.37 -0.07 -0.22 5.20 5.85 -1.36 0.43 115.31 125.51 3dds h LEU 740 Ca 0.28 0.01 0.05 0.00 0.84 0.00 0.00 57.88 59.05 3dds h LEU 740 Cb 0.33 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 3dds h LEU 740 CO -0.29 -0.05 -0.08 0.58 -0.34 0.00 0.00 178.44 178.27 3dds h VAL 741 N -0.07 0.73 -0.47 1.05 2.07 -0.96 -1.02 116.25 117.58 3dds h VAL 741 Ca -0.00 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 3dds h VAL 741 Cb 0.06 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 3dds h VAL 741 CO -0.00 0.00 0.02 0.40 0.02 0.00 0.00 177.57 178.00 3dds h ILE 742 N -0.04 1.26 -0.83 4.57 1.08 -0.79 -1.93 117.51 120.84 3dds h ILE 742 Ca 0.11 -1.03 -0.04 0.00 -0.39 0.00 0.00 64.86 63.51 3dds h ILE 742 Cb 0.20 0.99 -0.04 0.00 -3.07 0.00 0.00 36.82 34.91 3dds h ILE 742 CO -0.24 0.36 0.36 0.44 -0.69 0.00 0.00 178.15 178.38 3dds h ASP 743 N 0.68 1.11 -0.09 1.72 3.32 -0.69 0.20 116.42 122.67 3dds h ASP 743 Ca 0.14 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 3dds h ASP 743 Cb 0.48 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 3dds h ASP 743 CO 0.02 0.96 0.05 1.56 -1.72 0.00 0.00 179.24 180.11 3dds h GLN 744 N 1.19 0.12 -0.27 3.56 4.20 -0.96 0.18 115.11 123.13 3dds h GLN 744 Ca 0.28 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.99 3dds h GLN 744 Cb 0.17 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 3dds h GLN 744 CO -0.03 0.13 0.15 0.82 -0.67 0.00 0.00 178.83 179.23 3dds h ILE 745 N 0.08 1.01 -0.09 2.54 2.04 -1.12 -0.83 117.51 121.14 3dds h ILE 745 Ca 0.03 -0.10 -0.09 0.00 1.00 0.00 0.00 64.86 65.70 3dds h ILE 745 Cb 0.04 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 3dds h ILE 745 CO -0.01 0.06 -0.34 -0.78 0.00 0.00 0.00 178.15 177.08 3dds h ASP 746 N 0.30 0.18 -0.16 1.72 3.58 -0.31 -3.26 116.42 118.47 3dds h ASP 746 Ca 0.11 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.49 3dds h ASP 746 Cb 0.01 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.01 3dds h ASP 746 CO -0.06 0.52 0.00 0.59 -2.88 0.00 0.00 179.24 177.41 3dds n ASN 747 N -4.09 2.65 0.00 2.28 3.02 0.59 -4.70 115.26 115.01 3dds n ASN 747 Ca -0.01 -1.77 0.00 0.00 -0.03 0.00 0.00 54.58 52.76 3dds n ASN 747 Cb 0.42 -0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.49 3dds n ASN 747 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dds n GLY 748 N 0.94 1.03 0.37 7.41 0.00 -1.02 -4.85 105.19 109.07 3dds n GLY 748 Ca 0.12 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.23 3dds n GLY 748 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3dds h PHE 749 N 0.00 0.92 -0.47 1.61 3.57 -1.43 -1.23 116.94 119.92 3dds h PHE 749 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3dds h PHE 749 Cb 0.00 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.45 3dds h PHE 749 CO 0.00 0.38 0.00 1.19 -2.23 0.00 0.00 178.31 177.65 3dds n PHE 750 N -4.56 0.61 -2.94 0.41 3.72 -1.26 -4.54 117.46 108.91 3dds n PHE 750 Ca 0.17 -0.33 -0.13 0.00 -0.05 0.00 0.00 57.45 57.10 3dds n PHE 750 Cb 0.38 -0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.95 3dds n PHE 750 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3dds n SER 751 N 1.41 -0.96 -0.01 4.37 3.41 -0.57 -4.72 113.62 116.55 3dds n SER 751 Ca 0.19 -3.37 0.12 0.00 -0.26 0.00 0.00 58.87 55.55 3dds n SER 751 Cb 0.58 0.79 0.54 0.00 -0.26 0.00 0.00 64.21 65.86 3dds n SER 751 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 3dds h PRO 752 N 3.07 0.30 0.00 4.33 0.13 -1.52 0.24 132.00 138.54 3dds h PRO 752 Ca -0.01 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 3dds h PRO 752 Cb 1.04 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.10 3dds h PRO 752 CO 0.30 0.20 -0.03 1.63 -0.23 0.00 0.00 178.00 179.87 3dds n LYS 753 N -4.47 0.01 -3.08 0.86 4.76 -1.26 -4.24 118.16 110.75 3dds n LYS 753 Ca 0.07 0.01 -0.19 0.00 -2.87 0.00 0.00 58.31 55.33 3dds n LYS 753 Cb 0.33 -1.51 -0.03 0.00 -1.84 0.00 0.00 35.03 31.97 3dds n LYS 753 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 3dds n GLN 754 N -1.53 0.76 -0.29 1.97 6.02 0.77 -5.03 117.38 120.06 3dds n GLN 754 Ca 0.07 -2.87 0.26 0.00 -0.01 0.00 0.00 57.00 54.44 3dds n GLN 754 Cb 0.34 -1.31 0.59 0.00 1.02 0.00 0.00 30.24 30.88 3dds n GLN 754 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 3dds h PRO 755 N 3.85 0.25 -0.67 -1.09 0.11 -1.59 0.13 132.00 132.99 3dds h PRO 755 Ca 0.02 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.12 3dds h PRO 755 Cb 0.93 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.98 3dds h PRO 755 CO 0.42 0.17 0.00 -0.25 -0.21 0.00 0.00 178.00 178.13 3dds n ASP 756 N -4.46 4.65 -0.32 -2.05 8.00 -1.26 -3.12 116.55 117.99 3dds n ASP 756 Ca 0.23 -2.37 0.11 0.00 0.71 0.00 0.00 54.79 53.48 3dds n ASP 756 Cb 0.94 -0.57 0.29 0.00 -0.02 0.00 0.00 41.12 41.75 3dds n ASP 756 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3dds h LEU 757 N 4.17 0.61 -2.98 0.64 5.85 -1.30 -2.24 115.31 120.06 3dds h LEU 757 Ca 0.00 0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 3dds h LEU 757 Cb 1.38 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.40 3dds h LEU 757 CO 0.19 0.20 0.05 0.49 -0.34 0.00 0.00 178.44 179.03 3dds n PHE 758 N -4.86 1.64 -0.36 1.25 3.72 -1.26 -4.53 117.46 113.06 3dds n PHE 758 Ca 0.21 -0.64 0.04 0.00 -0.05 0.00 0.00 57.45 57.01 3dds n PHE 758 Cb 0.54 -0.45 0.19 0.00 -0.94 0.00 0.00 39.48 38.83 3dds n PHE 758 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3dds h LYS 759 N 2.80 1.10 -0.70 -1.08 3.64 -1.76 -1.58 116.57 119.00 3dds h LYS 759 Ca 0.04 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 3dds h LYS 759 Cb 1.69 -0.25 -0.03 0.00 -0.41 0.00 0.00 32.23 33.23 3dds h LYS 759 CO 0.42 0.73 0.28 -0.44 -2.27 0.00 0.00 179.45 178.17 3dds h ASP 760 N 1.14 0.95 -0.20 4.20 3.32 -1.85 -0.41 116.42 123.58 3dds h ASP 760 Ca 0.44 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 57.31 3dds h ASP 760 Cb 0.23 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3dds h ASP 760 CO -0.19 0.85 -0.06 0.40 -1.72 0.00 0.00 179.24 178.52 3dds h ILE 761 N 1.02 1.29 0.14 0.35 2.04 -1.66 -2.09 117.51 118.59 3dds h ILE 761 Ca 0.24 -1.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.02 3dds h ILE 761 Cb 0.19 1.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.87 3dds h ILE 761 CO -0.02 0.32 -0.07 0.40 0.00 0.00 0.00 178.15 178.78 3dds h ILE 762 N 0.10 0.87 -0.72 -0.67 1.08 -1.17 -0.66 117.51 116.33 3dds h ILE 762 Ca 0.05 -0.03 0.11 0.00 -0.39 0.00 0.00 64.86 64.60 3dds h ILE 762 Cb 0.52 0.89 -0.08 0.00 -3.07 0.00 0.00 36.82 35.08 3dds h ILE 762 CO 0.02 0.01 0.33 -1.13 -0.69 0.00 0.00 178.15 176.69 3dds h ASN 763 N -0.20 0.39 -0.26 1.72 -1.24 -1.10 -2.07 115.58 112.82 3dds h ASN 763 Ca -0.02 0.08 -0.01 0.00 0.71 0.00 0.00 56.30 57.06 3dds h ASN 763 Cb 0.15 0.02 -0.01 0.00 0.73 0.00 0.00 38.32 39.22 3dds h ASN 763 CO 0.03 0.20 0.14 -0.03 -1.29 0.00 0.00 177.43 176.48 3dds h MET 764 N 0.53 0.36 -0.73 6.67 4.05 -1.01 -1.00 114.93 123.81 3dds h MET 764 Ca 0.37 -0.04 -0.00 0.00 -0.28 0.00 0.00 59.70 59.75 3dds h MET 764 Cb 0.47 -0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 31.16 3dds h MET 764 CO -0.32 0.32 0.44 -0.07 0.23 0.00 0.00 176.91 177.52 3dds h LEU 765 N 0.30 0.87 0.11 3.39 3.38 -0.51 -0.14 115.31 122.72 3dds h LEU 765 Ca 0.09 -0.05 -0.32 0.00 0.09 0.00 0.00 57.88 57.70 3dds h LEU 765 Cb 0.07 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3dds h LEU 765 CO -0.01 0.67 -1.64 -0.26 0.09 0.00 0.00 178.44 177.29 3dds h PHE 766 N 1.01 0.42 0.00 1.13 0.04 -1.31 -3.41 116.94 114.82 3dds h PHE 766 Ca 0.26 -0.31 0.00 0.00 2.80 0.00 0.00 57.97 60.72 3dds h PHE 766 Cb -0.04 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.09 3dds h PHE 766 CO 0.00 1.42 -0.29 0.66 -0.60 0.00 0.00 178.31 179.51 3dds n TYR 767 N -3.42 0.00 -2.56 -0.55 4.01 -0.39 -4.28 117.16 109.97 3dds n TYR 767 Ca -0.19 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.54 3dds n TYR 767 Cb 1.05 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 40.11 3dds n TYR 767 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3dds n HIS 768 N -1.06 0.06 -3.06 -0.72 8.25 -0.23 -5.02 115.22 113.44 3dds n HIS 768 Ca 0.00 -1.26 -0.45 0.00 -0.26 0.00 0.00 57.72 55.75 3dds n HIS 768 Cb 0.00 0.23 -0.03 0.00 1.12 0.00 0.00 29.99 31.31 3dds n HIS 768 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3dds s ASP 769 N -2.29 6.43 0.17 0.41 2.15 -0.26 -4.86 116.67 118.43 3dds s ASP 769 Ca 0.22 -1.80 0.20 0.00 0.43 0.00 0.00 52.55 51.59 3dds s ASP 769 Cb 0.31 -2.33 0.84 0.00 -0.30 0.00 0.00 42.92 41.44 3dds s ASP 769 CO -0.09 -1.04 1.60 0.54 -0.17 0.00 0.00 175.17 176.01 3dds n ARG 770 N 6.15 0.12 -0.10 4.34 1.74 -1.26 -2.83 116.66 124.83 3dds n ARG 770 Ca 0.06 0.39 0.04 0.00 -0.77 0.00 0.00 57.85 57.57 3dds n ARG 770 Cb 0.46 -1.75 0.09 0.00 -1.02 0.00 0.00 32.46 30.24 3dds n ARG 770 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3dds n PHE 771 N -1.98 0.25 -3.62 -1.55 3.72 -1.26 -5.03 117.46 107.99 3dds n PHE 771 Ca 0.02 -0.41 -0.21 0.00 -0.05 0.00 0.00 57.45 56.80 3dds n PHE 771 Cb 0.19 -0.03 0.05 0.00 -0.94 0.00 0.00 39.48 38.74 3dds n PHE 771 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3dds n LYS 772 N 0.21 -4.66 0.02 -1.08 5.02 -1.13 -4.76 118.16 111.79 3dds n LYS 772 Ca 0.07 0.67 -0.10 0.00 -2.02 0.00 0.00 58.31 56.92 3dds n LYS 772 Cb 0.33 -5.26 -0.04 0.00 -0.02 0.00 0.00 35.03 30.04 3dds n LYS 772 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3dds h VAL 773 N -1.81 0.73 -0.21 -0.18 2.07 -1.93 -2.46 116.25 112.48 3dds h VAL 773 Ca -0.61 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 66.87 3dds h VAL 773 Cb 1.35 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 3dds h VAL 773 CO 0.54 0.00 -0.02 -0.26 0.02 0.00 0.00 177.57 177.84 3dds h PHE 774 N -0.14 0.31 0.00 1.57 0.04 -1.91 -2.65 116.94 114.16 3dds h PHE 774 Ca 0.06 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 3dds h PHE 774 Cb 0.22 -0.09 -0.00 0.00 2.20 0.00 0.00 35.95 38.28 3dds h PHE 774 CO -0.19 0.34 -0.07 0.00 -0.60 0.00 0.00 178.31 177.79 3dds h ALA 775 N 1.69 1.23 -0.02 2.45 0.00 -1.81 -2.42 119.26 120.38 3dds h ALA 775 Ca 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dds h ALA 775 Cb 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3dds h ALA 775 CO 0.01 0.09 -0.11 -0.25 0.00 0.00 0.00 179.25 178.99 3dds n ASP 776 N -3.50 2.00 -0.08 0.00 8.00 -1.02 -4.71 116.55 117.23 3dds n ASP 776 Ca -0.02 -1.50 -0.07 0.00 0.71 0.00 0.00 54.79 53.91 3dds n ASP 776 Cb 0.20 0.17 -0.00 0.00 -0.02 0.00 0.00 41.12 41.47 3dds n ASP 776 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3dds h TYR 777 N 2.49 0.20 0.13 1.24 3.20 -1.18 -0.59 116.97 122.47 3dds h TYR 777 Ca 0.00 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 3dds h TYR 777 Cb 0.58 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.81 3dds h TYR 777 CO 0.00 0.09 -0.06 1.49 -1.64 0.00 0.00 178.16 178.04 3dds h GLU 778 N 0.25 -0.17 -0.74 1.82 4.81 -1.84 -1.08 114.58 117.62 3dds h GLU 778 Ca 0.13 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 3dds h GLU 778 Cb 0.09 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.48 3dds h GLU 778 CO -0.13 0.00 0.45 0.00 -0.73 0.00 0.00 179.01 178.60 3dds h ALA 779 N 0.53 1.40 0.19 2.92 0.00 -1.86 -1.88 119.26 120.56 3dds h ALA 779 Ca -0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3dds h ALA 779 Cb 0.25 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3dds h ALA 779 CO 0.03 0.53 -0.09 -0.92 0.00 0.00 0.00 179.25 178.79 3dds h TYR 780 N 1.02 -0.24 -0.66 0.00 3.20 -0.81 -0.72 116.97 118.75 3dds h TYR 780 Ca 0.27 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.08 3dds h TYR 780 Cb -0.05 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.27 3dds h TYR 780 CO 0.00 -0.07 0.23 0.28 -1.64 0.00 0.00 178.16 176.96 3dds h VAL 781 N -0.37 1.25 -0.76 1.81 2.07 -1.05 0.08 116.25 119.28 3dds h VAL 781 Ca -0.03 -0.83 -0.03 0.00 0.82 0.00 0.00 66.70 66.64 3dds h VAL 781 Cb 0.28 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 3dds h VAL 781 CO 0.04 0.32 0.37 0.11 0.02 0.00 0.00 177.57 178.43 3dds h LYS 782 N 0.96 1.08 -0.28 1.57 1.57 -1.30 -1.42 116.57 118.74 3dds h LYS 782 Ca 0.22 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 3dds h LYS 782 Cb 0.27 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 3dds h LYS 782 CO -0.01 0.83 0.07 0.00 -0.57 0.00 0.00 179.45 179.78 3dds h GLN 784 N 0.29 0.77 -0.93 0.00 1.08 -0.67 -1.21 115.11 114.43 3dds h GLN 784 Ca 0.09 -0.05 0.01 0.00 -1.45 0.00 0.00 58.65 57.25 3dds h GLN 784 Cb 0.27 -0.17 -0.05 0.00 -0.05 0.00 0.00 27.48 27.48 3dds h GLN 784 CO -0.00 0.51 0.62 -0.44 -0.95 0.00 0.00 178.83 178.57 3dds h ASP 785 N 0.79 1.07 -0.15 1.46 3.32 -1.07 -2.39 116.42 119.45 3dds h ASP 785 Ca 0.38 -0.03 -0.11 0.00 0.02 0.00 0.00 57.03 57.29 3dds h ASP 785 Cb 0.41 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 3dds h ASP 785 CO -0.15 0.77 -0.28 0.11 -1.72 0.00 0.00 179.24 177.98 3dds h LYS 786 N 1.26 0.63 -0.38 3.56 1.57 -1.07 -2.44 116.57 119.70 3dds h LYS 786 Ca 0.34 -0.26 0.01 0.00 -1.87 0.00 0.00 60.65 58.88 3dds h LYS 786 Cb -0.14 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 3dds h LYS 786 CO -0.08 0.84 0.23 0.28 -0.57 0.00 0.00 179.45 180.15 3dds h VAL 787 N 0.54 1.05 -0.63 0.50 2.07 -1.07 -2.06 116.25 116.65 3dds h VAL 787 Ca 0.07 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.44 3dds h VAL 787 Cb 0.75 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 3dds h VAL 787 CO 0.06 0.08 0.41 0.28 0.02 0.00 0.00 177.57 178.43 3dds h SER 788 N 0.46 0.71 -0.35 0.57 0.02 -1.24 -1.15 113.55 112.57 3dds h SER 788 Ca 0.15 -0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.14 3dds h SER 788 Cb -0.01 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 62.31 3dds h SER 788 CO -0.06 0.51 0.04 1.56 -1.14 0.00 0.00 176.83 177.74 3dds h GLN 789 N 0.84 0.14 -0.41 3.45 4.20 -1.19 -2.67 115.11 119.47 3dds h GLN 789 Ca 0.23 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.84 3dds h GLN 789 Cb -0.08 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 3dds h GLN 789 CO -0.06 0.09 -0.12 1.25 -0.67 0.00 0.00 178.83 179.32 3dds h LEU 790 N 0.15 0.74 -2.17 1.46 5.85 -0.89 -2.85 115.31 117.60 3dds h LEU 790 Ca 0.17 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 3dds h LEU 790 Cb 0.21 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.04 3dds h LEU 790 CO -0.25 0.88 -0.06 0.22 -0.34 0.00 0.00 178.44 178.89 3dds h TYR 791 N 0.67 0.00 0.00 1.25 3.20 -0.87 -0.72 116.97 120.50 3dds h TYR 791 Ca 0.11 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.98 3dds h TYR 791 Cb 0.59 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.86 3dds h TYR 791 CO 0.03 0.06 0.00 -1.33 -1.64 0.00 0.00 178.16 175.28 3dds n MET 792 N -3.82 0.13 -3.91 1.82 2.81 -1.08 -4.24 117.12 108.84 3dds n MET 792 Ca -0.02 0.14 -0.29 0.00 -1.81 0.00 0.00 57.70 55.72 3dds n MET 792 Cb 0.16 -1.50 -0.13 0.00 -0.71 0.00 0.00 33.22 31.04 3dds n MET 792 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 3dds s ASN 793 N -2.79 4.68 0.30 7.83 3.84 -0.28 -4.99 114.94 123.53 3dds s ASN 793 Ca 0.13 -3.56 0.05 0.00 0.21 0.00 0.00 52.86 49.69 3dds s ASN 793 Cb 0.12 -1.65 0.70 0.00 -0.55 0.00 0.00 41.25 39.88 3dds s ASN 793 CO 0.32 -0.14 1.77 -0.65 -2.79 0.00 0.00 177.10 175.61 3dds h PRO 794 N 5.79 0.73 -0.42 0.43 0.11 -1.78 0.59 132.00 137.46 3dds h PRO 794 Ca 0.07 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.13 3dds h PRO 794 Cb 0.80 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.73 3dds h PRO 794 CO 0.71 0.48 0.24 -0.22 -0.21 0.00 0.00 178.00 179.01 3dds h LYS 795 N 0.75 0.57 -0.36 1.05 3.64 -1.94 -0.06 116.57 120.22 3dds h LYS 795 Ca 0.56 -0.06 -0.14 0.00 -1.27 0.00 0.00 60.65 59.75 3dds h LYS 795 Cb 0.85 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.55 3dds h LYS 795 CO -0.38 0.43 -0.32 0.00 -2.27 0.00 0.00 179.45 176.92 3dds h ALA 796 N 1.10 0.52 0.40 5.00 0.00 -1.59 -0.88 119.26 123.82 3dds h ALA 796 Ca 0.15 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 3dds h ALA 796 Cb 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3dds h ALA 796 CO -0.03 0.57 -0.19 2.35 0.00 0.00 0.00 179.25 181.95 3dds h TRP 797 N 0.65 -0.50 0.00 0.00 2.91 -0.82 -1.86 115.95 116.33 3dds h TRP 797 Ca 0.06 -0.01 -0.06 0.00 1.13 0.00 0.00 58.89 60.01 3dds h TRP 797 Cb 0.90 0.17 -0.01 0.00 -0.51 0.00 0.00 29.16 29.70 3dds h TRP 797 CO 0.07 -0.31 -0.30 -0.91 -1.03 0.00 0.00 178.44 175.96 3dds h ASN 798 N -0.54 0.00 -0.21 2.65 2.35 -1.01 -0.47 115.58 118.36 3dds h ASN 798 Ca -0.05 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.69 3dds h ASN 798 Cb 0.41 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 3dds h ASN 798 CO 0.09 0.30 0.11 0.74 -1.65 0.00 0.00 177.43 177.02 3dds h THR 799 N 0.00 1.12 -0.59 2.81 2.02 -1.02 -0.73 112.91 116.52 3dds h THR 799 Ca -0.00 -0.32 -0.07 0.00 0.77 0.00 0.00 66.41 66.79 3dds h THR 799 Cb 0.65 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 67.98 3dds h THR 799 CO 0.04 0.11 0.10 -0.03 0.37 0.00 0.00 175.52 176.11 3dds h MET 800 N 0.23 0.94 -0.21 6.66 1.85 -0.60 -2.46 114.93 121.35 3dds h MET 800 Ca 0.07 -0.23 0.01 0.00 -0.61 0.00 0.00 59.70 58.95 3dds h MET 800 Cb 0.08 -0.12 -0.02 0.00 0.43 0.00 0.00 31.60 31.97 3dds h MET 800 CO -0.01 0.87 0.11 0.28 -0.40 0.00 0.00 176.91 177.75 3dds h VAL 801 N 0.89 1.00 -0.89 -5.77 2.07 -0.89 -1.90 116.25 110.76 3dds h VAL 801 Ca 0.18 -0.08 0.06 0.00 0.82 0.00 0.00 66.70 67.69 3dds h VAL 801 Cb 0.39 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 30.85 3dds h VAL 801 CO 0.01 0.04 0.56 0.25 0.02 0.00 0.00 177.57 178.45 3dds h LEU 802 N 0.23 0.89 -1.41 2.57 5.85 -0.92 -0.45 115.31 122.07 3dds h LEU 802 Ca 0.08 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 3dds h LEU 802 Cb 0.01 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 3dds h LEU 802 CO -0.05 0.57 -0.08 0.11 -0.34 0.00 0.00 178.44 178.65 3dds h LYS 803 N 1.02 0.29 0.09 1.25 1.57 -1.05 0.12 116.57 119.85 3dds h LYS 803 Ca 0.39 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 59.10 3dds h LYS 803 Cb 0.16 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3dds h LYS 803 CO -0.17 0.39 -0.04 -0.91 -0.57 0.00 0.00 179.45 178.14 3dds h ASN 804 N 0.28 -0.10 -0.47 0.86 2.35 -0.37 -2.80 115.58 115.34 3dds h ASN 804 Ca 0.06 -0.42 0.03 0.00 -0.55 0.00 0.00 56.30 55.42 3dds h ASN 804 Cb 0.33 0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.69 3dds h ASN 804 CO 0.02 0.39 0.26 0.40 -1.65 0.00 0.00 177.43 176.85 3dds h ILE 805 N -0.63 1.02 0.00 2.81 2.04 -1.01 -2.11 117.51 119.63 3dds h ILE 805 Ca -0.01 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.67 3dds h ILE 805 Cb 0.51 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 3dds h ILE 805 CO 0.02 0.10 0.00 0.00 0.00 0.00 0.00 178.15 178.27 3dds h ALA 806 N 1.22 1.00 -0.47 1.87 0.00 -1.05 -2.44 119.26 119.38 3dds h ALA 806 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3dds h ALA 806 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3dds h ALA 806 CO -0.10 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.15 3dds n ALA 807 N -2.04 2.67 1.09 0.00 0.00 -0.84 -2.79 120.51 118.60 3dds n ALA 807 Ca -0.01 -1.55 0.13 0.00 0.00 0.00 0.00 53.44 52.01 3dds n ALA 807 Cb 0.20 -0.74 0.34 0.00 0.00 0.00 0.00 19.45 19.25 3dds n ALA 807 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3dds n SER 808 N 0.63 0.56 -0.33 0.00 3.41 -0.92 -4.41 113.62 112.57 3dds n SER 808 Ca 0.20 -0.34 0.14 0.00 -0.26 0.00 0.00 58.87 58.61 3dds n SER 808 Cb 0.70 0.13 0.36 0.00 -0.26 0.00 0.00 64.21 65.14 3dds n SER 808 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3dds h GLY 809 N 4.98 1.54 1.04 5.00 0.00 -1.79 -0.34 103.07 113.51 3dds h GLY 809 Ca 0.00 -0.32 0.14 0.00 0.00 0.00 0.00 47.33 47.14 3dds h GLY 809 CO 0.00 -0.03 0.35 1.70 0.00 0.00 0.00 176.54 178.56 3dds h LYS 810 N 0.70 0.00 -0.50 4.80 3.64 -1.87 -2.77 116.57 120.56 3dds h LYS 810 Ca 0.55 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.93 3dds h LYS 810 Cb 0.94 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 3dds h LYS 810 CO -0.32 0.00 0.00 1.19 -2.27 0.00 0.00 179.45 178.05 3dds n PHE 811 N -4.33 0.65 -2.30 1.91 3.72 -0.14 -4.72 117.46 112.26 3dds n PHE 811 Ca 0.08 -0.28 -0.41 0.00 -0.05 0.00 0.00 57.45 56.79 3dds n PHE 811 Cb 0.55 -0.10 -0.03 0.00 -0.94 0.00 0.00 39.48 38.96 3dds n PHE 811 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3dds s SER 812 N -0.79 6.98 0.20 4.37 0.15 -1.05 -0.47 113.70 123.09 3dds s SER 812 Ca 0.25 2.26 0.18 0.00 0.70 0.00 0.00 55.95 59.34 3dds s SER 812 Cb 0.15 -2.60 0.84 0.00 -1.71 0.00 0.00 66.02 62.70 3dds s SER 812 CO 0.13 -0.48 1.55 -1.54 1.20 0.00 0.00 173.24 174.10 3dds n SER 813 N 3.00 0.43 -0.19 5.45 3.41 -0.05 -1.72 113.62 123.95 3dds n SER 813 Ca 0.07 0.65 -0.09 0.00 -0.26 0.00 0.00 58.87 59.23 3dds n SER 813 Cb 0.44 -0.72 0.01 0.00 -0.26 0.00 0.00 64.21 63.68 3dds n SER 813 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3dds h ASP 814 N 0.00 0.84 -0.06 4.04 3.32 -1.91 0.95 116.42 123.60 3dds h ASP 814 Ca 0.00 -0.25 -0.00 0.00 0.02 0.00 0.00 57.03 56.80 3dds h ASP 814 Cb 0.18 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 3dds h ASP 814 CO 0.00 0.87 0.03 -0.09 -1.72 0.00 0.00 179.24 178.34 3dds h ARG 815 N 0.77 0.08 -0.23 3.56 1.12 -1.64 -1.32 114.38 116.73 3dds h ARG 815 Ca 0.17 -0.01 0.05 0.00 -1.11 0.00 0.00 59.98 59.08 3dds h ARG 815 Cb 0.38 -0.02 -0.05 0.00 -0.01 0.00 0.00 29.97 30.27 3dds h ARG 815 CO 0.01 0.14 -0.12 1.15 -3.11 0.00 0.00 179.97 178.04 3dds h THR 816 N 0.00 0.63 -0.75 0.20 2.02 -1.32 -2.53 112.91 111.17 3dds h THR 816 Ca 0.02 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.16 3dds h THR 816 Cb 0.08 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 3dds h THR 816 CO -0.00 0.00 0.29 0.40 0.37 0.00 0.00 175.52 176.58 3dds h ILE 817 N -0.09 1.26 -0.90 3.11 1.08 -0.74 -1.88 117.51 119.34 3dds h ILE 817 Ca 0.12 -0.81 0.11 0.00 -0.39 0.00 0.00 64.86 63.90 3dds h ILE 817 Cb 0.28 0.38 -0.07 0.00 -3.07 0.00 0.00 36.82 34.34 3dds h ILE 817 CO -0.29 0.33 0.58 0.11 -0.69 0.00 0.00 178.15 178.19 3dds h LYS 818 N 1.09 0.80 -0.13 2.37 1.57 -0.93 0.63 116.57 121.96 3dds h LYS 818 Ca 0.25 -0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 58.84 3dds h LYS 818 Cb 0.22 -0.18 0.01 0.00 0.08 0.00 0.00 32.23 32.36 3dds h LYS 818 CO -0.02 0.53 -0.48 0.93 -0.57 0.00 0.00 179.45 179.84 3dds h GLU 819 N 0.83 0.56 -0.59 3.15 5.08 -1.00 -1.70 114.58 120.91 3dds h GLU 819 Ca 0.43 -0.42 0.05 0.00 -1.00 0.00 0.00 59.36 58.41 3dds h GLU 819 Cb 0.52 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.80 3dds h GLU 819 CO -0.19 1.05 0.32 1.88 -1.00 0.00 0.00 179.01 181.07 3dds h TYR 820 N 0.19 0.60 -0.23 4.33 0.05 -0.96 -0.62 116.97 120.32 3dds h TYR 820 Ca -0.02 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3dds h TYR 820 Cb 1.11 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 38.66 3dds h TYR 820 CO 0.11 0.30 0.15 0.00 -1.05 0.00 0.00 178.16 177.66 3dds h ALA 821 N 1.30 0.30 -0.13 3.88 0.00 -0.84 0.11 119.26 123.88 3dds h ALA 821 Ca 0.26 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 3dds h ALA 821 Cb 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3dds h ALA 821 CO -0.15 -0.22 -0.43 0.37 0.00 0.00 0.00 179.25 178.83 3dds h GLN 822 N 0.30 0.51 0.00 0.00 4.15 -1.16 0.15 115.11 119.06 3dds h GLN 822 Ca 0.08 -0.38 0.00 0.00 0.77 0.00 0.00 58.65 59.12 3dds h GLN 822 Cb -0.01 0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.75 3dds h GLN 822 CO -0.02 1.00 -0.83 0.09 -1.93 0.00 0.00 178.83 177.14 3dds n ASN 823 N -4.28 0.79 0.05 -0.69 5.03 -0.25 -4.45 115.26 111.46 3dds n ASN 823 Ca -0.07 -0.82 0.00 0.00 0.87 0.00 0.00 54.58 54.55 3dds n ASN 823 Cb 0.55 1.05 0.00 0.00 -1.02 0.00 0.00 39.78 40.37 3dds n ASN 823 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 3dds n ILE 824 N -1.43 0.52 0.13 2.41 5.41 0.18 -4.90 119.36 121.67 3dds n ILE 824 Ca 0.03 0.17 0.03 0.00 1.00 0.00 0.00 62.75 63.98 3dds n ILE 824 Cb 0.27 -1.26 0.02 0.00 -0.71 0.00 0.00 39.64 37.95 3dds n ILE 824 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 3dds h TRP 825 N 0.00 0.00 -5.56 1.39 6.55 -1.03 -3.49 115.95 113.81 3dds h TRP 825 Ca 0.00 0.00 -0.30 0.00 0.95 0.00 0.00 58.89 59.54 3dds h TRP 825 Cb 0.30 0.00 0.18 0.00 -0.86 0.00 0.00 29.16 28.78 3dds h TRP 825 CO 0.00 0.47 -0.80 -1.71 -1.05 0.00 0.00 178.44 175.35 3dds n ASN 826 N -3.15 -3.87 -4.20 -3.49 5.15 0.45 -4.89 115.26 101.26 3dds n ASN 826 Ca 0.00 -0.65 -0.16 0.00 -0.60 0.00 0.00 54.58 53.16 3dds n ASN 826 Cb 0.73 -5.16 -0.11 0.00 -0.53 0.00 0.00 39.78 34.72 3dds n ASN 826 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3dds s VAL 827 N -3.37 1.12 -0.16 3.44 -7.23 -0.83 -4.96 120.40 108.42 3dds s VAL 827 Ca 0.18 -1.63 -0.03 0.00 -1.81 0.00 0.00 61.98 58.70 3dds s VAL 827 Cb -0.02 -1.39 -0.02 0.00 0.56 0.00 0.00 36.38 35.50 3dds s VAL 827 CO 0.73 -0.46 -0.06 -1.61 -0.31 0.00 0.00 175.10 173.40 3dds s GLU 828 N -2.60 3.57 0.47 4.82 2.02 -1.26 -4.27 118.70 121.45 3dds s GLU 828 Ca 0.06 -0.57 -0.22 0.00 0.02 0.00 0.00 54.97 54.26 3dds s GLU 828 Cb -0.05 -2.86 -0.09 0.00 0.10 0.00 0.00 34.13 31.23 3dds s GLU 828 CO 0.02 0.19 0.90 -2.30 0.02 0.00 0.00 175.26 174.08 3dds n PRO 829 N 3.67 1.09 0.00 0.39 -0.02 -1.26 -4.78 135.00 134.08 3dds n PRO 829 Ca -0.18 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 3dds n PRO 829 Cb 0.52 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 3dds n PRO 829 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91