#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sh6 h ARG 9 N 0.00 0.65 -0.25 5.31 3.08 -1.99 -2.81 114.38 118.37 1sh6 h ARG 9 Ca 0.00 -0.30 -0.02 0.00 0.07 0.00 0.00 59.98 59.73 1sh6 h ARG 9 Cb 0.00 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1sh6 h ARG 9 CO 0.00 0.89 0.06 -0.44 -1.07 0.00 0.00 179.97 179.41 1sh6 h ASP 10 N 0.55 0.31 0.18 7.04 3.45 -2.00 0.10 116.42 126.05 1sh6 h ASP 10 Ca 0.06 -0.03 -0.20 0.00 0.43 0.00 0.00 57.03 57.29 1sh6 h ASP 10 Cb 0.83 -0.08 -0.00 0.00 -0.56 0.00 0.00 39.33 39.52 1sh6 h ASP 10 CO 0.07 0.32 -0.76 -0.09 -1.57 0.00 0.00 179.24 177.21 1sh6 h ARG 11 N 0.34 0.49 -0.51 3.56 2.43 -1.97 -1.67 114.38 117.05 1sh6 h ARG 11 Ca 0.09 -0.41 -0.05 0.00 -0.81 0.00 0.00 59.98 58.80 1sh6 h ARG 11 Cb 0.13 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 1sh6 h ARG 11 CO -0.00 1.05 0.14 0.28 -1.51 0.00 0.00 179.97 179.92 1sh6 h VAL 12 N 0.33 1.24 -0.20 0.20 2.07 -1.26 -1.30 116.25 117.32 1sh6 h VAL 12 Ca -0.04 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.66 1sh6 h VAL 12 Cb 1.35 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 1sh6 h VAL 12 CO 0.14 0.30 0.11 -0.61 0.02 0.00 0.00 177.57 177.52 1sh6 h GLN 13 N 0.71 0.29 -0.61 1.57 4.15 -0.64 -0.66 115.11 119.91 1sh6 h GLN 13 Ca 0.16 -0.04 0.12 0.00 0.77 0.00 0.00 58.65 59.66 1sh6 h GLN 13 Cb 0.31 -0.05 -0.09 0.00 0.21 0.00 0.00 27.48 27.85 1sh6 h GLN 13 CO -0.00 0.28 0.13 -0.22 -1.93 0.00 0.00 178.83 177.09 1sh6 h LYS 14 N 0.21 0.25 -0.34 1.69 3.64 -1.29 0.62 116.57 121.36 1sh6 h LYS 14 Ca 0.07 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.49 1sh6 h LYS 14 Cb 0.09 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.80 1sh6 h LYS 14 CO -0.01 0.16 0.01 -0.22 -2.27 0.00 0.00 179.45 177.12 1sh6 h LYS 15 N 0.26 0.10 0.14 1.90 3.64 -0.58 -1.19 116.57 120.83 1sh6 h LYS 15 Ca 0.32 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.69 1sh6 h LYS 15 Cb 0.49 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1sh6 h LYS 15 CO -0.42 0.07 -0.07 1.15 -2.27 0.00 0.00 179.45 177.91 1sh6 h THR 16 N 0.10 1.01 -1.00 1.00 2.02 -0.25 -2.69 112.91 113.10 1sh6 h THR 16 Ca 0.16 -0.97 0.18 0.00 0.77 0.00 0.00 66.41 66.56 1sh6 h THR 16 Cb 0.22 1.58 -0.10 0.00 -1.74 0.00 0.00 68.15 68.10 1sh6 h THR 16 CO -0.27 0.22 0.61 -0.26 0.37 0.00 0.00 175.52 176.19 1sh6 h PHE 17 N -0.68 1.08 -0.38 3.16 -1.00 -0.95 -1.63 116.94 116.54 1sh6 h PHE 17 Ca -0.02 0.03 -0.05 0.00 2.81 0.00 0.00 57.97 60.75 1sh6 h PHE 17 Cb 0.50 -0.33 -0.01 0.00 3.61 0.00 0.00 35.95 39.72 1sh6 h PHE 17 CO 0.07 0.26 0.05 1.15 -1.61 0.00 0.00 178.31 178.22 1sh6 h THR 18 N 0.79 1.25 -0.47 -1.55 2.02 -1.05 -0.65 112.91 113.24 1sh6 h THR 18 Ca 0.57 -0.89 -0.14 0.00 0.77 0.00 0.00 66.41 66.72 1sh6 h THR 18 Cb 0.85 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 1sh6 h THR 18 CO -0.37 0.30 -0.25 0.11 0.37 0.00 0.00 175.52 175.68 1sh6 h LYS 19 N 0.47 1.00 -0.64 6.66 1.79 -1.12 -1.56 116.57 123.17 1sh6 h LYS 19 Ca 0.11 -0.45 0.05 0.00 -2.18 0.00 0.00 60.65 58.19 1sh6 h LYS 19 Cb 0.39 -0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 30.97 1sh6 h LYS 19 CO 0.01 1.12 0.36 2.35 -1.08 0.00 0.00 179.45 182.21 1sh6 h TRP 20 N 0.85 0.66 -0.39 -1.35 7.01 -1.08 -1.49 115.95 120.17 1sh6 h TRP 20 Ca 0.10 0.02 -0.11 0.00 2.11 0.00 0.00 58.89 61.01 1sh6 h TRP 20 Cb 0.84 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 27.68 1sh6 h TRP 20 CO 0.06 0.33 -0.19 0.28 -2.79 0.00 0.00 178.44 176.12 1sh6 h VAL 21 N 0.67 1.28 -0.58 2.65 2.07 -0.99 -3.02 116.25 118.33 1sh6 h VAL 21 Ca 0.28 -1.32 -0.07 0.00 0.82 0.00 0.00 66.70 66.41 1sh6 h VAL 21 Cb 0.15 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 1sh6 h VAL 21 CO -0.17 0.44 0.10 0.78 0.02 0.00 0.00 177.57 178.74 1sh6 h ASN 22 N 0.62 0.88 -0.95 0.57 2.35 -1.17 0.28 115.58 118.16 1sh6 h ASN 22 Ca 0.09 -0.19 0.13 0.00 -0.55 0.00 0.00 56.30 55.77 1sh6 h ASN 22 Cb 0.74 -0.23 -0.09 0.00 0.05 0.00 0.00 38.32 38.79 1sh6 h ASN 22 CO 0.06 0.89 0.58 0.50 -1.65 0.00 0.00 177.43 177.81 1sh6 h LYS 23 N 0.88 0.87 0.18 0.81 3.64 -1.21 -2.70 116.57 119.04 1sh6 h LYS 23 Ca 0.18 -0.05 -0.24 0.00 -1.27 0.00 0.00 60.65 59.27 1sh6 h LYS 23 Cb 0.38 -0.20 0.03 0.00 -0.41 0.00 0.00 32.23 32.04 1sh6 h LYS 23 CO 0.01 0.58 -1.05 0.45 -2.27 0.00 0.00 179.45 177.17 1sh6 h HIS 24 N 0.90 0.71 -0.69 1.91 3.86 -1.17 -3.36 115.15 117.30 1sh6 h HIS 24 Ca 0.48 -0.51 0.14 0.00 -1.16 0.00 0.00 60.37 59.32 1sh6 h HIS 24 Cb 0.52 -0.03 -0.10 0.00 1.06 0.00 0.00 27.41 28.86 1sh6 h HIS 24 CO -0.02 1.40 0.17 -0.07 0.86 0.00 0.00 177.93 180.27 1sh6 h LEU 25 N -0.18 0.03 -0.01 2.43 3.38 -0.37 -1.70 115.31 118.88 1sh6 h LEU 25 Ca -0.18 0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1sh6 h LEU 25 Cb 1.83 0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.75 1sh6 h LEU 25 CO 0.20 -0.01 0.00 2.30 0.09 0.00 0.00 178.44 181.02 1sh6 n ILE 26 N -5.13 0.60 1.01 1.22 -5.35 -1.03 -2.08 119.36 108.59 1sh6 n ILE 26 Ca 0.12 0.15 0.11 0.00 -0.27 0.00 0.00 62.75 62.85 1sh6 n ILE 26 Cb 0.41 -0.80 0.33 0.00 -1.74 0.00 0.00 39.64 37.83 1sh6 n ILE 26 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1sh6 n LYS 27 N -1.52 1.91 -1.50 6.28 5.02 -0.64 -4.93 118.16 122.79 1sh6 n LYS 27 Ca 0.05 -1.37 -0.44 0.00 -2.02 0.00 0.00 58.31 54.53 1sh6 n LYS 27 Cb 0.24 -1.41 -0.01 0.00 -0.02 0.00 0.00 35.03 33.83 1sh6 n LYS 27 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 1sh6 n HIS 28 N 0.60 0.22 0.19 2.13 -0.00 -0.88 -4.89 115.22 112.58 1sh6 n HIS 28 Ca 0.17 0.73 0.07 0.00 0.46 0.00 0.00 57.72 59.14 1sh6 n HIS 28 Cb 0.39 -2.09 0.28 0.00 -0.12 0.00 0.00 29.99 28.45 1sh6 n HIS 28 CO 0.00 0.00 0.00 0.11 0.46 0.00 0.00 176.34 176.91 1sh6 h TRP 29 N 1.33 0.00 -3.56 1.57 0.09 -1.92 -3.43 115.95 110.02 1sh6 h TRP 29 Ca -0.37 0.00 -0.61 0.00 0.09 0.00 0.00 58.89 58.00 1sh6 h TRP 29 Cb 1.38 0.00 -0.13 0.00 0.08 0.00 0.00 29.16 30.49 1sh6 h TRP 29 CO 0.42 0.34 -0.36 0.50 0.09 0.00 0.00 178.44 179.44 1sh6 s ARG 30 N -3.40 4.10 0.23 0.12 3.52 -1.26 -5.00 118.95 117.27 1sh6 s ARG 30 Ca 0.02 -0.05 -0.10 0.00 -0.13 0.00 0.00 55.73 55.47 1sh6 s ARG 30 Cb 0.09 -3.55 0.34 0.00 -1.56 0.00 0.00 34.95 30.27 1sh6 s ARG 30 CO 0.69 -0.02 1.63 0.00 -0.81 0.00 0.00 175.30 176.79 1sh6 h ALA 31 N 7.54 0.61 0.00 6.12 0.00 -1.98 0.29 119.26 131.84 1sh6 h ALA 31 Ca -0.37 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1sh6 h ALA 31 Cb 1.17 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 19.40 1sh6 h ALA 31 CO 0.68 -0.42 -0.06 1.05 0.00 0.00 0.00 179.25 180.50 1sh6 h GLU 32 N 0.06 0.00 0.00 0.00 9.09 -1.97 -0.24 114.58 121.52 1sh6 h GLU 32 Ca 0.36 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.77 1sh6 h GLU 32 Cb 0.59 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.69 1sh6 h GLU 32 CO -0.66 0.06 -0.57 0.00 0.05 0.00 0.00 179.01 177.90 1sh6 n ALA 33 N -2.23 3.29 -2.15 1.06 0.00 0.07 -4.62 120.51 115.93 1sh6 n ALA 33 Ca -0.02 -0.31 -0.30 0.00 0.00 0.00 0.00 53.44 52.81 1sh6 n ALA 33 Cb 0.18 -1.14 -0.05 0.00 0.00 0.00 0.00 19.45 18.45 1sh6 n ALA 33 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1sh6 s GLN 34 N -3.07 2.74 0.41 0.00 -0.21 -0.10 -4.85 119.66 114.59 1sh6 s GLN 34 Ca 0.09 -1.00 0.07 0.00 0.02 0.00 0.00 55.36 54.54 1sh6 s GLN 34 Cb 0.16 -5.23 -0.06 0.00 1.00 0.00 0.00 33.01 28.88 1sh6 s GLN 34 CO 0.71 -3.51 0.11 1.03 -2.12 0.00 0.00 175.29 171.51 1sh6 s ARG 35 N 6.29 2.12 -0.07 2.91 0.52 -1.26 -4.88 118.95 124.58 1sh6 s ARG 35 Ca 0.66 -1.96 0.02 0.00 -0.52 0.00 0.00 55.73 53.93 1sh6 s ARG 35 Cb -0.02 -1.84 0.01 0.00 0.52 0.00 0.00 34.95 33.63 1sh6 s ARG 35 CO 0.07 -0.10 -0.12 -1.58 0.02 0.00 0.00 175.30 173.60 1sh6 s HIS 36 N -2.65 1.47 0.07 -0.53 5.65 -1.26 -4.16 115.29 113.88 1sh6 s HIS 36 Ca 0.38 -0.57 -0.22 0.00 0.25 0.00 0.00 55.06 54.90 1sh6 s HIS 36 Cb 0.06 -1.09 -0.06 0.00 -1.18 0.00 0.00 32.58 30.31 1sh6 s HIS 36 CO 0.20 -0.31 0.66 0.42 -0.65 0.00 0.00 174.74 175.07 1sh6 s ILE 37 N 0.78 4.69 -0.23 0.89 1.01 -1.26 -5.00 121.20 122.09 1sh6 s ILE 37 Ca -0.12 1.42 -0.06 0.00 0.00 0.00 0.00 60.65 61.89 1sh6 s ILE 37 Cb -0.15 -4.01 -0.18 0.00 0.01 0.00 0.00 42.46 38.13 1sh6 s ILE 37 CO 0.02 0.47 -0.07 -1.20 0.00 0.00 0.00 174.94 174.16 1sh6 n SER 38 N 2.18 2.00 -3.86 3.58 7.64 -1.26 -4.95 113.62 118.95 1sh6 n SER 38 Ca -0.07 0.09 -0.24 0.00 1.01 0.00 0.00 58.87 59.67 1sh6 n SER 38 Cb 0.50 -0.65 -0.17 0.00 -1.01 0.00 0.00 64.21 62.88 1sh6 n SER 38 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1sh6 s ASP 39 N -6.88 1.71 0.59 6.43 -1.08 -1.26 -5.02 116.67 111.15 1sh6 s ASP 39 Ca -0.32 -0.18 0.35 0.00 -0.52 0.00 0.00 52.55 51.87 1sh6 s ASP 39 Cb 0.09 -0.61 1.81 0.00 -1.46 0.00 0.00 42.92 42.75 1sh6 s ASP 39 CO 0.62 -0.13 2.18 0.25 0.52 0.00 0.00 175.17 178.60 1sh6 h LEU 40 N 7.99 0.00 -1.08 -1.34 6.46 -1.92 -0.40 115.31 125.03 1sh6 h LEU 40 Ca -0.27 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.49 1sh6 h LEU 40 Cb 1.14 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.07 1sh6 h LEU 40 CO 0.36 0.04 -0.26 -1.22 -0.62 0.00 0.00 178.44 176.74 1sh6 n TYR 41 N -3.35 0.00 -0.08 1.25 4.01 -1.26 -4.07 117.16 113.66 1sh6 n TYR 41 Ca -0.02 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.60 1sh6 n TYR 41 Cb 0.18 -0.03 -0.07 0.00 -0.31 0.00 0.00 39.34 39.11 1sh6 n TYR 41 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1sh6 n GLU 42 N 0.15 0.39 -0.04 -0.72 -0.58 -0.63 -4.52 120.64 114.70 1sh6 n GLU 42 Ca 0.12 0.10 0.12 0.00 -0.42 0.00 0.00 57.16 57.08 1sh6 n GLU 42 Cb 0.45 -1.30 0.46 0.00 -0.57 0.00 0.00 31.44 30.49 1sh6 n GLU 42 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1sh6 n ASP 43 N -3.04 1.53 -0.00 1.62 8.00 -0.25 -2.45 116.55 121.95 1sh6 n ASP 43 Ca -0.29 -1.59 0.09 0.00 0.71 0.00 0.00 54.79 53.72 1sh6 n ASP 43 Cb 0.79 -0.05 -0.12 0.00 -0.02 0.00 0.00 41.12 41.72 1sh6 n ASP 43 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1sh6 n LEU 44 N 0.21 0.66 -0.19 0.64 4.77 -1.26 -4.60 117.00 117.22 1sh6 n LEU 44 Ca 0.18 -0.36 0.10 0.00 -0.03 0.00 0.00 56.01 55.90 1sh6 n LEU 44 Cb 0.34 0.00 0.40 0.00 -2.33 0.00 0.00 43.42 41.83 1sh6 n LEU 44 CO 0.15 0.16 1.21 0.03 -1.33 0.00 0.00 177.39 177.62 1sh6 h ARG 45 N 0.00 0.62 -0.01 3.23 3.08 -1.67 -2.26 114.38 117.38 1sh6 h ARG 45 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1sh6 h ARG 45 Cb 0.58 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.49 1sh6 h ARG 45 CO 0.00 0.41 0.00 -0.40 -1.07 0.00 0.00 179.97 178.91 1sh6 n ASP 46 N -4.50 0.55 0.00 7.04 5.68 -1.26 -4.07 116.55 119.99 1sh6 n ASP 46 Ca 0.13 -1.19 0.00 0.00 -0.50 0.00 0.00 54.79 53.24 1sh6 n ASP 46 Cb 0.37 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.35 1sh6 n ASP 46 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1sh6 n GLY 47 N 1.06 2.36 0.27 6.12 0.00 -0.85 -4.40 105.19 109.74 1sh6 n GLY 47 Ca 0.22 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.18 1sh6 n GLY 47 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1sh6 h HIS 48 N 0.00 0.87 0.00 1.61 3.86 -1.89 -2.12 115.15 117.48 1sh6 h HIS 48 Ca 0.00 -0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.08 1sh6 h HIS 48 Cb 0.00 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.17 1sh6 h HIS 48 CO 0.00 0.59 -0.60 -0.91 0.86 0.00 0.00 177.93 177.88 1sh6 h ASN 49 N 0.89 0.00 -0.75 2.45 2.35 -1.88 -1.89 115.58 116.77 1sh6 h ASN 49 Ca 0.24 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.94 1sh6 h ASN 49 Cb -0.02 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.32 1sh6 h ASN 49 CO -0.04 0.60 0.28 -0.07 -1.65 0.00 0.00 177.43 176.54 1sh6 h LEU 50 N 0.00 1.04 -0.36 1.61 3.38 -1.81 0.79 115.31 119.97 1sh6 h LEU 50 Ca -0.01 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.70 1sh6 h LEU 50 Cb 1.37 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 1sh6 h LEU 50 CO 0.08 0.95 -0.07 0.40 0.09 0.00 0.00 178.44 179.88 1sh6 h ILE 51 N 1.08 1.28 -0.83 1.22 2.04 -1.26 -2.26 117.51 118.77 1sh6 h ILE 51 Ca 0.25 -1.13 0.01 0.00 1.00 0.00 0.00 64.86 64.99 1sh6 h ILE 51 Cb 0.24 1.27 -0.04 0.00 -0.74 0.00 0.00 36.82 37.55 1sh6 h ILE 51 CO -0.02 0.37 0.55 0.28 0.00 0.00 0.00 178.15 179.34 1sh6 h SER 52 N 0.48 0.94 -0.46 1.72 0.02 -1.22 -0.77 113.55 114.26 1sh6 h SER 52 Ca 0.09 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.98 1sh6 h SER 52 Cb 0.58 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 1sh6 h SER 52 CO 0.03 0.67 0.12 0.25 -1.14 0.00 0.00 176.83 176.76 1sh6 h LEU 53 N 1.11 0.69 -0.79 5.07 5.85 -0.68 -1.55 115.31 125.01 1sh6 h LEU 53 Ca 0.31 -0.23 -0.09 0.00 0.84 0.00 0.00 57.88 58.72 1sh6 h LEU 53 Cb -0.10 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.73 1sh6 h LEU 53 CO -0.08 0.74 -0.05 -0.07 -0.34 0.00 0.00 178.44 178.64 1sh6 h LEU 54 N 0.61 0.84 0.11 2.25 3.38 -1.20 -1.93 115.31 119.37 1sh6 h LEU 54 Ca 0.15 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.89 1sh6 h LEU 54 Cb 0.31 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1sh6 h LEU 54 CO 0.00 0.94 -0.18 -0.33 0.09 0.00 0.00 178.44 178.96 1sh6 h GLU 55 N 0.79 -0.34 -0.45 1.13 5.08 -0.88 -1.25 114.58 118.66 1sh6 h GLU 55 Ca 0.14 0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.42 1sh6 h GLU 55 Cb 0.54 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 1sh6 h GLU 55 CO 0.03 -0.23 -0.15 -0.39 -1.00 0.00 0.00 179.01 177.28 1sh6 h VAL 56 N -0.35 1.26 -0.03 3.13 -1.51 -1.20 0.14 116.25 117.69 1sh6 h VAL 56 Ca 0.02 -1.25 -0.14 0.00 -1.23 0.00 0.00 66.70 64.11 1sh6 h VAL 56 Cb 0.37 1.08 -0.02 0.00 -2.13 0.00 0.00 31.29 30.59 1sh6 h VAL 56 CO -0.10 0.43 -0.62 -0.07 -1.23 0.00 0.00 177.57 175.98 1sh6 h LEU 57 N 0.75 0.12 0.00 4.19 3.38 -1.18 -3.25 115.31 119.31 1sh6 h LEU 57 Ca 0.12 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1sh6 h LEU 57 Cb 0.66 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1sh6 h LEU 57 CO 0.05 0.71 -1.79 -1.54 0.09 0.00 0.00 178.44 175.95 1sh6 n SER 58 N -3.83 0.23 0.00 -0.43 3.41 -0.49 -5.00 113.62 107.52 1sh6 n SER 58 Ca -0.02 0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 1sh6 n SER 58 Cb 0.62 1.47 0.00 0.00 -0.26 0.00 0.00 64.21 66.04 1sh6 n SER 58 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sh6 n GLY 59 N 1.30 0.27 3.86 5.00 0.00 0.47 -5.06 105.19 111.02 1sh6 n GLY 59 Ca -0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 1sh6 n GLY 59 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sh6 s ASP 60 N -2.20 6.53 -0.19 1.61 1.01 -1.23 -5.02 116.67 117.19 1sh6 s ASP 60 Ca 0.00 1.40 -0.06 0.00 0.71 0.00 0.00 52.55 54.60 1sh6 s ASP 60 Cb 0.00 -2.44 -0.04 0.00 1.01 0.00 0.00 42.92 41.45 1sh6 s ASP 60 CO 0.00 -0.57 0.04 -0.44 0.21 0.00 0.00 175.17 174.41 1sh6 s SER 61 N -3.29 5.34 0.12 0.27 0.01 -1.26 -4.41 113.70 110.48 1sh6 s SER 61 Ca 0.56 -0.02 0.09 0.00 1.31 0.00 0.00 55.95 57.89 1sh6 s SER 61 Cb -0.10 -1.91 -0.04 0.00 0.21 0.00 0.00 66.02 64.17 1sh6 s SER 61 CO 0.35 0.13 -0.19 -0.76 0.41 0.00 0.00 173.24 173.19 1sh6 s LEU 62 N 0.60 2.67 0.80 2.44 1.43 -1.26 -5.11 118.68 120.26 1sh6 s LEU 62 Ca 0.02 -0.58 -0.12 0.00 -1.03 0.00 0.00 54.13 52.42 1sh6 s LEU 62 Cb -0.13 -1.52 0.08 0.00 0.03 0.00 0.00 46.19 44.65 1sh6 s LEU 62 CO 0.02 0.18 1.15 -2.16 0.23 0.00 0.00 176.35 175.77 1sh6 s PRO 63 N -2.15 1.79 -0.09 1.29 0.04 -1.26 -5.05 135.00 129.58 1sh6 s PRO 63 Ca 0.18 1.54 -0.13 0.00 0.04 0.00 0.00 61.00 62.63 1sh6 s PRO 63 Cb -0.10 -1.81 0.03 0.00 0.04 0.00 0.00 34.50 32.65 1sh6 s PRO 63 CO 0.10 -2.05 0.33 0.50 0.04 0.00 0.00 177.00 175.91 1sh6 s ARG 64 N -4.39 0.49 -0.34 4.56 3.52 -1.26 -4.99 118.95 116.54 1sh6 s ARG 64 Ca 0.68 0.23 -0.13 0.00 -0.13 0.00 0.00 55.73 56.39 1sh6 s ARG 64 Cb -0.24 0.23 -0.02 0.00 -1.56 0.00 0.00 34.95 33.37 1sh6 s ARG 64 CO 0.52 -0.10 0.24 -1.21 -0.81 0.00 0.00 175.30 173.95 1sh6 s GLU 65 N -0.36 3.47 0.23 5.12 0.41 -1.26 -5.04 118.70 121.27 1sh6 s GLU 65 Ca -0.05 -0.66 -0.05 0.00 -0.41 0.00 0.00 54.97 53.81 1sh6 s GLU 65 Cb -0.03 -3.81 0.23 0.00 -1.78 0.00 0.00 34.13 28.73 1sh6 s GLU 65 CO 0.02 -0.46 1.72 0.87 -0.49 0.00 0.00 175.26 176.92 1sh6 h LYS 66 N 8.50 0.91 0.00 1.61 1.79 -2.01 -3.48 116.57 123.88 1sh6 h LYS 66 Ca -0.31 -0.26 0.00 0.00 -2.18 0.00 0.00 60.65 57.90 1sh6 h LYS 66 Cb 1.16 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.71 1sh6 h LYS 66 CO 0.64 0.90 0.00 0.41 -1.08 0.00 0.00 179.45 180.31 1sh6 n GLY 67 N -0.56 -1.93 0.14 3.86 0.00 -1.26 -5.02 105.19 100.43 1sh6 n GLY 67 Ca 0.03 -0.64 -0.11 0.00 0.00 0.00 0.00 46.02 45.30 1sh6 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sh6 n ARG 68 N 0.00 0.35 -0.60 1.61 5.12 -1.26 -5.05 116.66 116.83 1sh6 n ARG 68 Ca 0.00 0.09 -0.21 0.00 -1.93 0.00 0.00 57.85 55.80 1sh6 n ARG 68 Cb 0.00 -1.24 0.02 0.00 -1.16 0.00 0.00 32.46 30.07 1sh6 n ARG 68 CO 0.00 0.00 0.00 -0.12 -1.93 0.00 0.00 177.63 175.58 1sh6 n MET 69 N -3.04 0.00 0.26 5.56 0.00 -1.26 -4.71 117.12 113.93 1sh6 n MET 69 Ca -0.26 0.00 -0.16 0.00 0.00 0.00 0.00 57.70 57.28 1sh6 n MET 69 Cb 0.76 -0.57 -0.08 0.00 0.00 0.00 0.00 33.22 33.32 1sh6 n MET 69 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 175.97 175.88 1sh6 h ARG 70 N -0.46 -0.58 0.00 2.12 2.43 -2.01 -2.75 114.38 113.12 1sh6 h ARG 70 Ca -0.25 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 1sh6 h ARG 70 Cb 0.76 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 1sh6 h ARG 70 CO 0.15 -0.37 0.00 1.19 -1.51 0.00 0.00 179.97 179.44 1sh6 n PHE 71 N -5.33 0.60 -0.00 2.20 3.01 -1.26 -1.00 117.46 115.67 1sh6 n PHE 71 Ca -0.11 0.24 -0.07 0.00 1.01 0.00 0.00 57.45 58.51 1sh6 n PHE 71 Cb 0.27 -0.89 0.10 0.00 -0.01 0.00 0.00 39.48 38.94 1sh6 n PHE 71 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1sh6 h HIS 72 N 0.00 0.67 -0.04 1.38 3.86 -1.81 -1.96 115.15 117.26 1sh6 h HIS 72 Ca 0.00 -0.20 0.01 0.00 -1.16 0.00 0.00 60.37 59.02 1sh6 h HIS 72 Cb 0.32 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.64 1sh6 h HIS 72 CO 0.00 0.89 -0.01 0.87 0.86 0.00 0.00 177.93 180.55 1sh6 h LYS 73 N 0.46 0.01 -0.31 2.45 1.57 -0.93 -1.92 116.57 117.89 1sh6 h LYS 73 Ca 0.03 -0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.86 1sh6 h LYS 73 Cb 0.93 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.20 1sh6 h LYS 73 CO 0.08 0.00 0.05 -0.07 -0.57 0.00 0.00 179.45 178.95 1sh6 h LEU 74 N 0.01 -0.01 -0.55 2.94 3.38 -1.51 -1.01 115.31 118.54 1sh6 h LEU 74 Ca 0.02 0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.14 1sh6 h LEU 74 Cb 0.03 0.08 -0.08 0.00 0.09 0.00 0.00 40.66 40.78 1sh6 h LEU 74 CO -0.04 0.03 0.13 1.56 0.09 0.00 0.00 178.44 180.22 1sh6 h GLN 75 N 0.16 0.27 -0.28 1.13 4.20 -1.20 -0.23 115.11 119.16 1sh6 h GLN 75 Ca 0.15 -0.02 -0.16 0.00 0.06 0.00 0.00 58.65 58.68 1sh6 h GLN 75 Cb 0.16 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.88 1sh6 h GLN 75 CO -0.20 0.18 -0.48 -0.91 -0.67 0.00 0.00 178.83 176.75 1sh6 h ASN 76 N 0.28 0.82 -0.45 1.46 2.35 -1.09 -0.38 115.58 118.56 1sh6 h ASN 76 Ca 0.28 -0.41 -0.01 0.00 -0.55 0.00 0.00 56.30 55.61 1sh6 h ASN 76 Cb 0.39 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 1sh6 h ASN 76 CO -0.35 1.16 0.23 0.58 -1.65 0.00 0.00 177.43 177.40 1sh6 h VAL 77 N 0.59 1.17 -0.71 2.81 2.07 -1.08 -2.64 116.25 118.47 1sh6 h VAL 77 Ca 0.03 -0.47 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 1sh6 h VAL 77 Cb 1.05 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 1sh6 h VAL 77 CO 0.10 0.19 0.35 -0.61 0.02 0.00 0.00 177.57 177.62 1sh6 h GLN 78 N 0.59 1.01 -0.62 1.57 5.75 -0.49 -0.50 115.11 122.41 1sh6 h GLN 78 Ca 0.16 -0.13 0.04 0.00 -0.15 0.00 0.00 58.65 58.57 1sh6 h GLN 78 Cb 0.09 -0.19 -0.05 0.00 1.07 0.00 0.00 27.48 28.40 1sh6 h GLN 78 CO -0.02 0.77 0.36 0.82 -2.65 0.00 0.00 178.83 178.10 1sh6 h ILE 79 N 1.01 1.02 -0.08 2.39 2.04 -0.86 0.12 117.51 123.14 1sh6 h ILE 79 Ca 0.25 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.85 1sh6 h ILE 79 Cb 0.08 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 36.43 1sh6 h ILE 79 CO -0.03 0.13 -0.03 0.00 0.00 0.00 0.00 178.15 178.22 1sh6 h ALA 80 N 1.30 0.11 -0.73 1.87 0.00 -1.10 0.32 119.26 121.03 1sh6 h ALA 80 Ca 0.26 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1sh6 h ALA 80 Cb 0.10 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1sh6 h ALA 80 CO -0.14 -0.15 0.30 -0.07 0.00 0.00 0.00 179.25 179.19 1sh6 h LEU 81 N -0.18 1.01 -0.53 0.00 3.38 -0.75 -2.58 115.31 115.66 1sh6 h LEU 81 Ca 0.02 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1sh6 h LEU 81 Cb 0.44 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1sh6 h LEU 81 CO 0.01 0.90 0.34 0.44 0.09 0.00 0.00 178.44 180.22 1sh6 h ASP 82 N 1.05 0.62 -0.64 -0.43 5.19 -0.68 -0.08 116.42 121.45 1sh6 h ASP 82 Ca 0.25 -0.03 0.14 0.00 -0.62 0.00 0.00 57.03 56.76 1sh6 h ASP 82 Cb 0.20 -0.16 -0.11 0.00 0.18 0.00 0.00 39.33 39.45 1sh6 h ASP 82 CO -0.02 0.47 0.02 0.22 -3.12 0.00 0.00 179.24 176.80 1sh6 h TYR 83 N 0.72 -0.02 -0.23 4.55 3.20 -0.77 0.11 116.97 124.53 1sh6 h TYR 83 Ca 0.19 0.05 -0.15 0.00 3.14 0.00 0.00 58.73 61.96 1sh6 h TYR 83 Cb -0.06 0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.32 1sh6 h TYR 83 CO -0.03 -0.17 -0.43 -0.07 -1.64 0.00 0.00 178.16 175.82 1sh6 h LEU 84 N 0.13 0.77 -0.68 2.82 -0.00 -1.05 -2.62 115.31 114.68 1sh6 h LEU 84 Ca 0.34 -0.54 -0.04 0.00 -0.00 0.00 0.00 57.88 57.64 1sh6 h LEU 84 Cb 0.56 -0.22 -0.03 0.00 -0.00 0.00 0.00 40.66 40.97 1sh6 h LEU 84 CO -0.54 1.17 0.26 0.03 -0.00 0.00 0.00 178.44 179.36 1sh6 h ARG 85 N 0.40 1.01 -0.00 1.13 3.08 -0.49 -0.72 114.38 118.79 1sh6 h ARG 85 Ca 0.01 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 59.87 1sh6 h ARG 85 Cb 1.03 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.92 1sh6 h ARG 85 CO 0.10 0.85 0.03 1.25 -1.07 0.00 0.00 179.97 181.13 1sh6 h HIS 86 N 0.96 0.00 -0.77 3.04 2.76 -0.65 0.38 115.15 120.87 1sh6 h HIS 86 Ca 0.22 0.00 -0.24 0.00 -2.20 0.00 0.00 60.37 58.15 1sh6 h HIS 86 Cb 0.22 0.00 -0.15 0.00 1.55 0.00 0.00 27.41 29.03 1sh6 h HIS 86 CO 0.01 0.00 0.31 0.54 -1.30 0.00 0.00 177.93 177.49 1sh6 n ARG 87 N -3.12 3.63 -2.32 5.26 1.74 -0.45 -4.94 116.66 116.46 1sh6 n ARG 87 Ca -0.03 -3.06 -0.18 0.00 -0.77 0.00 0.00 57.85 53.82 1sh6 n ARG 87 Cb 0.10 -2.22 -0.01 0.00 -1.02 0.00 0.00 32.46 29.31 1sh6 n ARG 87 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1sh6 n GLN 88 N -0.21 -1.42 -3.28 5.56 1.13 0.12 -4.98 117.38 114.30 1sh6 n GLN 88 Ca 0.43 0.87 -0.39 0.00 -1.94 0.00 0.00 57.00 55.97 1sh6 n GLN 88 Cb 1.42 -5.36 -0.07 0.00 0.11 0.00 0.00 30.24 26.34 1sh6 n GLN 88 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1sh6 s VAL 89 N -2.89 5.14 -0.46 5.09 1.01 -0.41 -5.00 120.40 122.89 1sh6 s VAL 89 Ca 0.00 0.91 -0.27 0.00 0.00 0.00 0.00 61.98 62.62 1sh6 s VAL 89 Cb 0.00 -3.82 0.03 0.00 0.00 0.00 0.00 36.38 32.59 1sh6 s VAL 89 CO 0.00 0.21 1.00 -0.54 0.00 0.00 0.00 175.10 175.78 1sh6 s LYS 90 N 1.42 3.63 -0.80 2.72 1.02 -1.26 -4.20 119.74 122.26 1sh6 s LYS 90 Ca 0.23 0.35 -0.13 0.00 0.02 0.00 0.00 55.97 56.45 1sh6 s LYS 90 Cb -0.15 -3.91 0.21 0.00 -0.52 0.00 0.00 37.83 33.46 1sh6 s LYS 90 CO 0.09 -1.25 0.73 -0.51 -0.92 0.00 0.00 175.35 173.49 1sh6 s LEU 91 N 3.97 6.60 0.17 3.17 1.02 -1.26 -4.96 118.68 127.39 1sh6 s LEU 91 Ca 0.41 -2.70 -0.22 0.00 0.02 0.00 0.00 54.13 51.64 1sh6 s LEU 91 Cb -0.09 -2.17 0.08 0.00 0.02 0.00 0.00 46.19 44.03 1sh6 s LEU 91 CO 0.27 -0.55 1.59 -0.37 0.02 0.00 0.00 176.35 177.31 1sh6 h VAL 92 N 4.84 0.21 -0.91 -1.59 -1.51 -2.01 -3.31 116.25 111.99 1sh6 h VAL 92 Ca 0.09 0.00 0.11 0.00 -1.23 0.00 0.00 66.70 65.67 1sh6 h VAL 92 Cb 1.03 0.21 -0.21 0.00 -2.13 0.00 0.00 31.29 30.19 1sh6 h VAL 92 CO 0.75 0.00 -0.22 0.54 -1.23 0.00 0.00 177.57 177.41 1sh6 s ASN 93 N -5.11 -1.27 -0.02 4.19 6.03 -1.26 -5.16 114.94 112.33 1sh6 s ASN 93 Ca -0.15 0.77 0.03 0.00 -1.03 0.00 0.00 52.86 52.48 1sh6 s ASN 93 Cb 0.14 2.06 0.00 0.00 -3.03 0.00 0.00 41.25 40.42 1sh6 s ASN 93 CO 0.68 -0.24 -0.09 -0.63 -2.03 0.00 0.00 177.10 174.79 1sh6 s ILE 94 N 2.87 0.79 0.38 0.54 1.01 -1.25 -5.13 121.20 120.42 1sh6 s ILE 94 Ca 0.18 -0.38 0.07 0.00 0.00 0.00 0.00 60.65 60.52 1sh6 s ILE 94 Cb -0.14 -0.70 -0.02 0.00 0.01 0.00 0.00 42.46 41.61 1sh6 s ILE 94 CO -0.20 0.24 0.40 -0.13 0.00 0.00 0.00 174.94 175.26 1sh6 s ARG 95 N 0.12 2.74 0.24 2.79 0.52 -1.26 -4.99 118.95 119.10 1sh6 s ARG 95 Ca -0.02 -1.32 -0.06 0.00 -0.52 0.00 0.00 55.73 53.81 1sh6 s ARG 95 Cb -0.08 -2.55 0.32 0.00 0.52 0.00 0.00 34.95 33.16 1sh6 s ARG 95 CO 0.00 -0.08 1.84 -0.91 0.02 0.00 0.00 175.30 176.18 1sh6 h ASN 96 N 1.00 0.79 -0.79 0.23 -0.26 -1.94 -2.32 115.58 112.29 1sh6 h ASN 96 Ca -0.43 0.02 0.16 0.00 -0.56 0.00 0.00 56.30 55.49 1sh6 h ASN 96 Cb 1.26 -0.15 -0.10 0.00 -1.06 0.00 0.00 38.32 38.28 1sh6 h ASN 96 CO 0.55 0.51 0.32 0.44 -1.06 0.00 0.00 177.43 178.18 1sh6 h ASP 97 N 0.93 0.29 -0.91 5.81 3.32 -1.94 0.30 116.42 124.22 1sh6 h ASP 97 Ca 0.36 0.12 0.09 0.00 0.02 0.00 0.00 57.03 57.62 1sh6 h ASP 97 Cb 0.17 0.10 -0.07 0.00 0.22 0.00 0.00 39.33 39.75 1sh6 h ASP 97 CO -0.17 0.09 0.55 0.44 -1.72 0.00 0.00 179.24 178.43 1sh6 h ASP 98 N 0.44 0.83 0.16 6.45 3.32 -1.81 0.36 116.42 126.17 1sh6 h ASP 98 Ca 0.44 0.04 -0.29 0.00 0.02 0.00 0.00 57.03 57.24 1sh6 h ASP 98 Cb 0.71 -0.13 0.01 0.00 0.22 0.00 0.00 39.33 40.14 1sh6 h ASP 98 CO -0.43 0.48 -1.41 0.40 -1.72 0.00 0.00 179.24 176.56 1sh6 h ILE 99 N 0.94 1.13 -0.29 0.35 1.08 -1.47 -0.69 117.51 118.56 1sh6 h ILE 99 Ca 0.43 -2.50 -0.04 0.00 -0.39 0.00 0.00 64.86 62.36 1sh6 h ILE 99 Cb 0.33 2.86 -0.02 0.00 -3.07 0.00 0.00 36.82 36.93 1sh6 h ILE 99 CO -0.23 0.76 0.02 0.00 -0.69 0.00 0.00 178.15 178.02 1sh6 h ALA 100 N 0.05 1.50 -0.00 1.87 0.00 -0.81 -1.59 119.26 120.27 1sh6 h ALA 100 Ca -0.28 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1sh6 h ALA 100 Cb 1.89 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.55 1sh6 h ALA 100 CO 0.14 0.37 -0.10 -0.25 0.00 0.00 0.00 179.25 179.40 1sh6 n ASP 101 N -4.33 0.27 0.00 0.00 8.00 0.13 -4.81 116.55 115.81 1sh6 n ASP 101 Ca 0.01 -0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.28 1sh6 n ASP 101 Cb 0.21 -0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.14 1sh6 n ASP 101 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sh6 n GLY 102 N 1.34 0.68 3.66 0.44 0.00 -0.60 -4.99 105.19 105.72 1sh6 n GLY 102 Ca 0.12 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 1sh6 n GLY 102 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1sh6 s ASN 103 N -2.78 6.51 0.13 1.61 2.47 -0.31 -4.91 114.94 117.67 1sh6 s ASN 103 Ca 0.00 2.55 -0.19 0.00 0.42 0.00 0.00 52.86 55.64 1sh6 s ASN 103 Cb 0.00 -2.53 -0.02 0.00 -1.45 0.00 0.00 41.25 37.25 1sh6 s ASN 103 CO 0.00 -1.01 1.74 -0.65 -3.72 0.00 0.00 177.10 173.46 1sh6 h PRO 104 N 10.22 0.16 -0.41 0.43 0.11 -1.94 -0.66 132.00 139.90 1sh6 h PRO 104 Ca -0.46 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 1sh6 h PRO 104 Cb 1.22 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1sh6 h PRO 104 CO 0.94 0.10 0.13 -0.22 -0.21 0.00 0.00 178.00 178.75 1sh6 h LYS 105 N 0.16 0.64 -0.04 1.05 3.64 -1.99 -0.33 116.57 119.71 1sh6 h LYS 105 Ca 0.11 -0.13 -0.19 0.00 -1.27 0.00 0.00 60.65 59.17 1sh6 h LYS 105 Cb 0.09 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1sh6 h LYS 105 CO -0.13 0.63 -0.78 -0.07 -2.27 0.00 0.00 179.45 176.83 1sh6 h LEU 106 N 0.52 0.35 -0.18 5.20 3.38 -1.93 0.37 115.31 123.02 1sh6 h LEU 106 Ca 0.13 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1sh6 h LEU 106 Cb 0.25 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1sh6 h LEU 106 CO -0.01 1.00 0.08 0.74 0.09 0.00 0.00 178.44 180.34 1sh6 h THR 107 N 0.18 1.15 -0.47 0.22 2.02 -0.86 -0.87 112.91 114.28 1sh6 h THR 107 Ca -0.04 -0.44 -0.01 0.00 0.77 0.00 0.00 66.41 66.70 1sh6 h THR 107 Cb 1.37 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 68.87 1sh6 h THR 107 CO 0.13 0.14 0.27 -0.07 0.37 0.00 0.00 175.52 176.36 1sh6 h LEU 108 N 0.15 0.58 -1.35 2.58 3.38 -1.00 -2.39 115.31 117.24 1sh6 h LEU 108 Ca 0.06 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.01 1sh6 h LEU 108 Cb 0.15 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1sh6 h LEU 108 CO -0.01 0.48 0.48 1.23 0.09 0.00 0.00 178.44 180.71 1sh6 h GLY 109 N 0.62 0.99 1.38 0.83 0.00 -0.89 -1.22 103.07 104.78 1sh6 h GLY 109 Ca 0.17 -0.32 -0.25 0.00 0.00 0.00 0.00 47.33 46.93 1sh6 h GLY 109 CO -0.03 0.26 -0.99 -2.00 0.00 0.00 0.00 176.54 173.78 1sh6 h LEU 110 N 0.81 0.72 -0.40 3.11 5.85 -0.85 -1.68 115.31 122.86 1sh6 h LEU 110 Ca 0.30 -0.57 -0.16 0.00 0.84 0.00 0.00 57.88 58.29 1sh6 h LEU 110 Cb 0.17 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 1sh6 h LEU 110 CO -0.10 1.37 -0.39 0.40 -0.34 0.00 0.00 178.44 179.39 1sh6 h ILE 111 N 0.31 1.27 -0.46 4.05 1.08 -1.21 -1.63 117.51 120.92 1sh6 h ILE 111 Ca -0.10 -1.57 0.00 0.00 -0.39 0.00 0.00 64.86 62.80 1sh6 h ILE 111 Cb 1.64 1.39 -0.02 0.00 -3.07 0.00 0.00 36.82 36.76 1sh6 h ILE 111 CO 0.18 0.52 0.29 -0.25 -0.69 0.00 0.00 178.15 178.20 1sh6 h TRP 112 N 0.75 0.59 -0.89 1.37 2.91 -1.13 0.33 115.95 119.89 1sh6 h TRP 112 Ca 0.06 0.00 0.09 0.00 1.13 0.00 0.00 58.89 60.18 1sh6 h TRP 112 Cb 0.98 -0.20 -0.07 0.00 -0.51 0.00 0.00 29.16 29.36 1sh6 h TRP 112 CO 0.06 0.40 0.53 1.15 -1.03 0.00 0.00 178.44 179.56 1sh6 h THR 113 N 0.62 0.94 -0.26 2.65 2.02 -1.03 0.10 112.91 117.94 1sh6 h THR 113 Ca 0.17 -0.31 -0.05 0.00 0.77 0.00 0.00 66.41 66.99 1sh6 h THR 113 Cb -0.03 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.34 1sh6 h THR 113 CO -0.03 0.16 -0.05 0.40 0.37 0.00 0.00 175.52 176.37 1sh6 h ILE 114 N 0.90 1.28 -0.44 3.11 2.04 -0.58 -1.64 117.51 122.18 1sh6 h ILE 114 Ca 0.42 -1.04 0.02 0.00 1.00 0.00 0.00 64.86 65.27 1sh6 h ILE 114 Cb 0.36 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.84 1sh6 h ILE 114 CO -0.24 0.33 0.25 0.40 0.00 0.00 0.00 178.15 178.89 1sh6 h ILE 115 N 0.24 1.02 -0.54 -0.67 2.04 -0.60 -0.40 117.51 118.60 1sh6 h ILE 115 Ca 0.07 -0.17 0.04 0.00 1.00 0.00 0.00 64.86 65.80 1sh6 h ILE 115 Cb 0.51 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 1sh6 h ILE 115 CO 0.02 0.09 0.30 -0.07 0.00 0.00 0.00 178.15 178.49 1sh6 h LEU 116 N 0.50 0.45 -0.22 1.44 3.38 -0.95 0.23 115.31 120.13 1sh6 h LEU 116 Ca 0.18 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 1sh6 h LEU 116 Cb 0.03 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1sh6 h LEU 116 CO -0.09 0.31 -0.08 -0.74 0.09 0.00 0.00 178.44 177.92 1sh6 h HIS 117 N 0.58 0.51 0.00 1.13 2.76 -0.41 -0.70 115.15 119.02 1sh6 h HIS 117 Ca 0.23 -0.12 -0.29 0.00 -2.20 0.00 0.00 60.37 58.00 1sh6 h HIS 117 Cb 0.10 -0.12 -0.05 0.00 1.55 0.00 0.00 27.41 28.89 1sh6 h HIS 117 CO -0.08 0.71 -1.83 1.19 -1.30 0.00 0.00 177.93 176.62 1sh6 n PHE 118 N -4.55 0.75 -0.02 5.26 3.01 -0.24 -4.53 117.46 117.13 1sh6 n PHE 118 Ca -0.04 0.27 -0.03 0.00 1.01 0.00 0.00 57.45 58.66 1sh6 n PHE 118 Cb 0.31 -1.12 -0.02 0.00 -0.01 0.00 0.00 39.48 38.65 1sh6 n PHE 118 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 1sh6 n GLN 119 N -2.94 0.34 0.00 -1.08 7.27 0.69 -4.81 117.38 116.86 1sh6 n GLN 119 Ca -0.19 0.02 -0.09 0.00 0.07 0.00 0.00 57.00 56.80 1sh6 n GLN 119 Cb 1.04 -1.08 -0.14 0.00 2.41 0.00 0.00 30.24 32.47 1sh6 n GLN 119 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 1sh6 h ILE 120 N 0.00 1.01 0.00 1.69 2.04 -0.76 -3.38 117.51 118.11 1sh6 h ILE 120 Ca -0.08 -2.82 0.00 0.00 1.00 0.00 0.00 64.86 62.95 1sh6 h ILE 120 Cb 1.14 2.52 0.00 0.00 -0.74 0.00 0.00 36.82 39.74 1sh6 h ILE 120 CO -0.01 0.62 0.00 -1.54 0.00 0.00 0.00 178.15 177.22 1sh6 n SER 121 N -3.15 0.00 -0.33 1.72 3.41 -0.31 -2.95 113.62 112.01 1sh6 n SER 121 Ca -0.14 -0.12 0.13 0.00 -0.26 0.00 0.00 58.87 58.48 1sh6 n SER 121 Cb 1.03 -0.26 0.45 0.00 -0.26 0.00 0.00 64.21 65.17 1sh6 n SER 121 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1sh6 n ASP 122 N -1.26 1.17 -4.56 4.04 3.85 -1.26 -4.88 116.55 113.64 1sh6 n ASP 122 Ca 0.12 -1.11 -0.41 0.00 -0.71 0.00 0.00 54.79 52.68 1sh6 n ASP 122 Cb 0.18 0.07 -0.04 0.00 -1.35 0.00 0.00 41.12 39.99 1sh6 n ASP 122 CO 0.00 0.00 0.00 -0.38 -1.01 0.00 0.00 177.20 175.81 1sh6 n ILE 123 N -0.35 0.16 -4.36 2.12 5.41 -1.15 -4.92 119.36 116.27 1sh6 n ILE 123 Ca 0.15 -0.55 -0.33 0.00 1.00 0.00 0.00 62.75 63.02 1sh6 n ILE 123 Cb 0.35 -2.51 -0.16 0.00 -0.71 0.00 0.00 39.64 36.61 1sh6 n ILE 123 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 1sh6 s GLN 124 N 7.12 2.95 -0.01 0.38 0.74 -1.26 -4.94 119.66 124.63 1sh6 s GLN 124 Ca 1.02 -0.82 0.08 0.00 0.05 0.00 0.00 55.36 55.69 1sh6 s GLN 124 Cb -0.36 -2.47 -0.02 0.00 1.10 0.00 0.00 33.01 31.27 1sh6 s GLN 124 CO 0.34 -0.12 -0.25 0.14 -0.55 0.00 0.00 175.29 174.85 1sh6 s VAL 125 N 1.09 1.95 0.08 1.34 -7.23 -1.26 -5.11 120.40 111.26 1sh6 s VAL 125 Ca -0.00 -1.09 -0.33 0.00 -1.81 0.00 0.00 61.98 58.74 1sh6 s VAL 125 Cb -0.14 -1.63 -0.12 0.00 0.56 0.00 0.00 36.38 35.05 1sh6 s VAL 125 CO -0.08 0.52 1.77 -1.54 -0.31 0.00 0.00 175.10 175.46 1sh6 n SER 126 N 2.37 3.59 0.00 4.85 3.41 -1.26 -2.36 113.62 124.23 1sh6 n SER 126 Ca -0.16 1.01 0.00 0.00 -0.26 0.00 0.00 58.87 59.46 1sh6 n SER 126 Cb 0.52 -1.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.00 1sh6 n SER 126 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sh6 n GLY 127 N 4.03 0.60 3.73 5.00 0.00 -1.26 -5.04 105.19 112.25 1sh6 n GLY 127 Ca 0.19 -0.28 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 1sh6 n GLY 127 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1sh6 s GLN 128 N -0.69 1.71 0.43 1.61 -2.07 -0.99 -5.06 119.66 114.61 1sh6 s GLN 128 Ca 0.00 1.15 -0.21 0.00 -1.82 0.00 0.00 55.36 54.47 1sh6 s GLN 128 Cb 0.00 -1.84 -0.11 0.00 -1.09 0.00 0.00 33.01 29.98 1sh6 s GLN 128 CO 0.00 -2.02 0.95 0.45 -1.32 0.00 0.00 175.29 173.36 1sh6 s SER 129 N -3.25 6.94 0.14 12.60 0.15 -1.26 -5.02 113.70 124.01 1sh6 s SER 129 Ca 0.63 1.71 -0.22 0.00 0.70 0.00 0.00 55.95 58.77 1sh6 s SER 129 Cb -0.19 -2.54 0.02 0.00 -1.71 0.00 0.00 66.02 61.60 1sh6 s SER 129 CO 0.57 -0.36 1.65 -0.33 1.20 0.00 0.00 173.24 175.97 1sh6 h GLU 130 N 1.98 -0.20 -1.73 5.44 3.07 -2.01 -2.75 114.58 118.38 1sh6 h GLU 130 Ca -0.49 0.01 -0.64 0.00 -0.50 0.00 0.00 59.36 57.75 1sh6 h GLU 130 Cb 1.18 0.04 -0.38 0.00 -0.84 0.00 0.00 28.75 28.75 1sh6 h GLU 130 CO 0.61 -0.13 -0.28 -0.40 -1.40 0.00 0.00 179.01 177.42 1sh6 n ASP 131 N -5.34 5.38 -4.78 1.42 5.75 -1.26 -4.95 116.55 112.77 1sh6 n ASP 131 Ca -0.01 -3.74 -0.36 0.00 -0.01 0.00 0.00 54.79 50.66 1sh6 n ASP 131 Cb 0.26 -0.62 -0.04 0.00 -1.03 0.00 0.00 41.12 39.68 1sh6 n ASP 131 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 1sh6 s MET 132 N -3.68 4.20 0.85 0.11 -1.94 -1.04 -5.10 119.30 112.70 1sh6 s MET 132 Ca 0.49 1.49 -0.11 0.00 -1.71 0.00 0.00 55.69 55.84 1sh6 s MET 132 Cb 0.39 -2.55 0.10 0.00 2.01 0.00 0.00 34.83 34.78 1sh6 s MET 132 CO -0.23 -0.11 1.09 0.95 -0.01 0.00 0.00 175.02 176.71 1sh6 s THR 133 N -1.67 2.88 0.44 2.05 -4.23 -1.26 -4.80 115.64 109.05 1sh6 s THR 133 Ca 0.57 0.29 0.14 0.00 -1.18 0.00 0.00 61.69 61.51 1sh6 s THR 133 Cb -0.21 -2.82 0.33 0.00 1.34 0.00 0.00 72.50 71.14 1sh6 s THR 133 CO 0.27 -0.38 1.98 0.00 -0.54 0.00 0.00 174.62 175.95 1sh6 h ALA 134 N -1.38 2.04 -0.17 3.99 0.00 -1.94 0.21 119.26 122.02 1sh6 h ALA 134 Ca -0.48 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.28 1sh6 h ALA 134 Cb 1.27 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1sh6 h ALA 134 CO 0.55 -0.18 -0.51 1.57 0.00 0.00 0.00 179.25 180.68 1sh6 h LYS 135 N 0.39 0.47 -0.31 0.00 5.09 -1.93 -2.53 116.57 117.76 1sh6 h LYS 135 Ca 0.28 -0.28 -0.08 0.00 0.09 0.00 0.00 60.65 60.66 1sh6 h LYS 135 Cb 0.57 0.02 -0.02 0.00 0.10 0.00 0.00 32.23 32.91 1sh6 h LYS 135 CO -0.07 0.87 -0.16 0.93 -2.09 0.00 0.00 179.45 178.92 1sh6 h GLU 136 N 0.37 0.54 0.00 0.07 5.08 -1.60 -1.86 114.58 117.17 1sh6 h GLU 136 Ca 0.01 -0.18 -0.08 0.00 -1.00 0.00 0.00 59.36 58.12 1sh6 h GLU 136 Cb 1.02 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 1sh6 h GLU 136 CO 0.09 0.69 -0.38 0.87 -1.00 0.00 0.00 179.01 179.28 1sh6 h LYS 137 N 0.50 0.00 -0.01 2.33 1.57 -0.51 -2.55 116.57 117.90 1sh6 h LYS 137 Ca 0.08 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.60 1sh6 h LYS 137 Cb 0.57 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.90 1sh6 h LYS 137 CO 0.04 0.38 -1.03 1.25 -0.57 0.00 0.00 179.45 179.51 1sh6 h LEU 138 N 0.00 0.91 -1.67 2.94 5.85 -1.18 -2.64 115.31 119.52 1sh6 h LEU 138 Ca -0.00 -0.73 0.02 0.00 0.84 0.00 0.00 57.88 58.01 1sh6 h LEU 138 Cb 0.77 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 1sh6 h LEU 138 CO 0.05 1.53 0.26 0.25 -0.34 0.00 0.00 178.44 180.18 1sh6 h LEU 139 N 0.40 0.38 0.17 2.25 5.85 -1.07 0.54 115.31 123.82 1sh6 h LEU 139 Ca -0.13 -0.01 -0.25 0.00 0.84 0.00 0.00 57.88 58.33 1sh6 h LEU 139 Cb 1.69 -0.09 0.02 0.00 0.37 0.00 0.00 40.66 42.64 1sh6 h LEU 139 CO 0.20 0.26 -1.18 0.25 -0.34 0.00 0.00 178.44 177.64 1sh6 h LEU 140 N 0.44 0.55 -0.70 2.25 6.46 -1.41 -0.90 115.31 122.00 1sh6 h LEU 140 Ca 0.15 -0.92 0.14 0.00 -0.12 0.00 0.00 57.88 57.13 1sh6 h LEU 140 Cb 0.07 -0.18 -0.10 0.00 -0.73 0.00 0.00 40.66 39.73 1sh6 h LEU 140 CO -0.04 1.55 0.21 -0.25 -0.62 0.00 0.00 178.44 179.30 1sh6 h TRP 141 N -0.20 0.35 0.02 1.25 7.01 -1.14 -0.39 115.95 122.84 1sh6 h TRP 141 Ca -0.22 0.04 -0.00 0.00 2.11 0.00 0.00 58.89 60.81 1sh6 h TRP 141 Cb 1.83 -0.05 0.00 0.00 -2.10 0.00 0.00 29.16 28.84 1sh6 h TRP 141 CO 0.16 -0.01 -0.01 0.77 -2.79 0.00 0.00 178.44 176.56 1sh6 h SER 142 N 0.34 -0.02 -0.41 2.65 0.02 -0.29 0.86 113.55 116.70 1sh6 h SER 142 Ca 0.38 -0.21 0.08 0.00 -0.84 0.00 0.00 61.79 61.20 1sh6 h SER 142 Cb 0.60 0.01 -0.09 0.00 0.14 0.00 0.00 62.40 63.05 1sh6 h SER 142 CO -0.43 0.20 -0.32 1.56 -1.14 0.00 0.00 176.83 176.70 1sh6 h GLN 143 N -0.24 -0.24 -0.85 3.45 4.20 -1.01 -1.83 115.11 118.59 1sh6 h GLN 143 Ca -0.00 0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.74 1sh6 h GLN 143 Cb 0.23 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.02 1sh6 h GLN 143 CO 0.00 -0.16 0.56 -0.09 -0.67 0.00 0.00 178.83 178.48 1sh6 h ARG 144 N -0.25 1.10 0.00 1.46 9.65 -0.86 -0.24 114.38 125.24 1sh6 h ARG 144 Ca 0.18 -0.07 -0.00 0.00 -1.10 0.00 0.00 59.98 58.99 1sh6 h ARG 144 Cb 0.54 -0.25 -0.00 0.00 -1.39 0.00 0.00 29.97 28.87 1sh6 h ARG 144 CO -0.54 0.73 -0.01 0.52 2.80 0.00 0.00 179.97 183.46 1sh6 h MET 145 N 1.14 0.00 0.00 0.20 2.86 -0.03 -3.16 114.93 115.94 1sh6 h MET 145 Ca 0.32 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.95 1sh6 h MET 145 Cb -0.10 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 1sh6 h MET 145 CO -0.07 0.01 -0.24 1.33 1.06 0.00 0.00 176.91 179.00 1sh6 n VAL 146 N -3.88 1.88 -0.18 -2.22 0.24 -0.24 -4.76 118.33 109.16 1sh6 n VAL 146 Ca -0.03 -2.51 0.10 0.00 -2.04 0.00 0.00 64.34 59.87 1sh6 n VAL 146 Cb 0.09 -0.17 0.41 0.00 -1.47 0.00 0.00 33.84 32.70 1sh6 n VAL 146 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 1sh6 h GLU 147 N 0.40 0.61 0.00 7.34 4.11 -1.14 -2.67 114.58 123.23 1sh6 h GLU 147 Ca -0.01 -0.04 -0.17 0.00 0.07 0.00 0.00 59.36 59.22 1sh6 h GLU 147 Cb 1.04 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.13 1sh6 h GLU 147 CO 0.00 0.40 -1.49 0.41 0.07 0.00 0.00 179.01 178.40 1sh6 n GLY 148 N -1.47 -1.18 3.76 1.06 0.00 -1.26 -4.92 105.19 101.18 1sh6 n GLY 148 Ca 0.13 -0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 1sh6 n GLY 148 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sh6 s TYR 149 N -2.93 2.52 -0.94 1.61 1.51 -1.01 -4.73 117.35 113.37 1sh6 s TYR 149 Ca -0.04 1.35 -0.24 0.00 -1.01 0.00 0.00 57.07 57.13 1sh6 s TYR 149 Cb 0.09 -3.79 -0.01 0.00 -0.11 0.00 0.00 41.96 38.14 1sh6 s TYR 149 CO 0.82 -2.63 1.76 -0.65 -1.11 0.00 0.00 175.55 173.74 1sh6 s GLN 150 N -2.57 2.93 -1.05 -0.62 -1.52 -1.26 -3.67 119.66 111.91 1sh6 s GLN 150 Ca 0.64 -0.58 0.00 0.00 -1.95 0.00 0.00 55.36 53.47 1sh6 s GLN 150 Cb -0.40 -5.15 0.00 0.00 -0.22 0.00 0.00 33.01 27.23 1sh6 s GLN 150 CO 0.50 -2.94 0.00 0.41 -0.25 0.00 0.00 175.29 173.01 1sh6 n GLY 151 N 6.84 0.86 3.66 3.09 0.00 -1.26 -5.03 105.19 113.35 1sh6 n GLY 151 Ca 0.37 -0.53 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 1sh6 n GLY 151 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1sh6 s LEU 152 N -2.53 4.14 0.17 0.99 0.05 -1.24 -5.06 118.68 115.20 1sh6 s LEU 152 Ca 0.00 0.86 -0.10 0.00 0.05 0.00 0.00 54.13 54.94 1sh6 s LEU 152 Cb 0.00 -2.92 -0.07 0.00 -2.05 0.00 0.00 46.19 41.15 1sh6 s LEU 152 CO 0.00 -0.29 0.51 -0.60 -0.55 0.00 0.00 176.35 175.42 1sh6 s ARG 153 N 1.95 3.82 -0.52 1.48 6.06 -1.26 -4.93 118.95 125.56 1sh6 s ARG 153 Ca 0.30 0.28 -0.06 0.00 -2.50 0.00 0.00 55.73 53.74 1sh6 s ARG 153 Cb -0.16 -2.80 0.13 0.00 0.06 0.00 0.00 34.95 32.18 1sh6 s ARG 153 CO 0.10 0.42 0.36 0.00 -2.50 0.00 0.00 175.30 173.68 1sh6 h ASP 155 N 7.92 0.00 -5.25 0.00 3.32 -1.96 -3.44 116.42 117.01 1sh6 h ASP 155 Ca -0.11 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.79 1sh6 h ASP 155 Cb 1.03 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.55 1sh6 h ASP 155 CO 0.77 0.57 0.06 0.54 -1.72 0.00 0.00 179.24 179.46 1sh6 s ASN 156 N -5.80 0.46 -0.27 6.45 2.20 -1.26 -5.05 114.94 111.66 1sh6 s ASN 156 Ca -0.03 -1.32 0.11 0.00 -0.94 0.00 0.00 52.86 50.68 1sh6 s ASN 156 Cb 0.09 0.77 0.57 0.00 -2.00 0.00 0.00 41.25 40.68 1sh6 s ASN 156 CO 0.81 -1.52 1.55 0.49 -2.94 0.00 0.00 177.10 175.49 1sh6 n PHE 157 N -0.55 1.47 0.00 1.54 3.72 -1.26 -4.55 117.46 117.82 1sh6 n PHE 157 Ca -0.04 -1.30 0.00 0.00 -0.05 0.00 0.00 57.45 56.06 1sh6 n PHE 157 Cb 0.61 -0.51 0.00 0.00 -0.94 0.00 0.00 39.48 38.64 1sh6 n PHE 157 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1sh6 n THR 158 N -0.74 0.00 0.09 4.37 -2.24 -1.26 -4.30 114.28 110.20 1sh6 n THR 158 Ca 0.33 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 62.11 1sh6 n THR 158 Cb 1.11 -0.01 0.30 0.00 -2.10 0.00 0.00 70.33 69.63 1sh6 n THR 158 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1sh6 h THR 159 N 0.00 1.24 0.00 4.28 1.35 -1.86 -1.50 112.91 116.42 1sh6 h THR 159 Ca 0.00 -1.12 0.00 0.00 -0.55 0.00 0.00 66.41 64.74 1sh6 h THR 159 Cb 0.00 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 1sh6 h THR 159 CO 0.00 0.34 0.00 0.28 -0.25 0.00 0.00 175.52 175.89 1sh6 h SER 160 N 0.25 0.00 0.03 5.36 0.02 -1.92 -1.78 113.55 115.51 1sh6 h SER 160 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1sh6 h SER 160 Cb 0.57 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.11 1sh6 h SER 160 CO 0.04 0.00 -1.31 0.79 -1.14 0.00 0.00 176.83 175.21 1sh6 n TRP 161 N -2.70 0.02 -0.16 3.45 7.02 -0.56 -4.66 117.44 119.84 1sh6 n TRP 161 Ca -0.02 0.00 -0.03 0.00 -1.02 0.00 0.00 57.50 56.44 1sh6 n TRP 161 Cb 0.10 -0.19 0.03 0.00 -2.42 0.00 0.00 31.31 28.83 1sh6 n TRP 161 CO 0.00 0.00 0.00 -0.09 -2.02 0.00 0.00 177.69 175.58 1sh6 h ARG 162 N 0.00 -0.01 -0.01 -0.99 2.43 -1.39 -2.83 114.38 111.59 1sh6 h ARG 162 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1sh6 h ARG 162 Cb 0.67 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 1sh6 h ARG 162 CO 0.00 -0.01 0.00 -0.40 -1.51 0.00 0.00 179.97 178.05 1sh6 n ASP 163 N -5.36 0.09 0.00 -3.80 5.68 -1.26 -4.24 116.55 107.65 1sh6 n ASP 163 Ca 0.04 -1.24 0.00 0.00 -0.50 0.00 0.00 54.79 53.09 1sh6 n ASP 163 Cb 0.27 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.24 1sh6 n ASP 163 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1sh6 n GLY 164 N 0.90 2.45 0.17 6.12 0.00 -1.07 -4.48 105.19 109.28 1sh6 n GLY 164 Ca 0.19 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 1sh6 n GLY 164 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1sh6 h ARG 165 N 2.27 -0.35 -0.75 1.61 3.08 -1.91 -1.40 114.38 116.94 1sh6 h ARG 165 Ca 0.00 0.02 0.17 0.00 0.07 0.00 0.00 59.98 60.24 1sh6 h ARG 165 Cb 0.00 0.08 -0.13 0.00 0.08 0.00 0.00 29.97 30.00 1sh6 h ARG 165 CO 0.00 -0.23 0.03 -0.07 -1.07 0.00 0.00 179.97 178.63 1sh6 h LEU 166 N -0.36 -0.30 -0.43 3.04 3.38 -1.89 0.14 115.31 118.89 1sh6 h LEU 166 Ca -0.04 0.19 -0.12 0.00 0.09 0.00 0.00 57.88 58.00 1sh6 h LEU 166 Cb 0.28 0.32 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1sh6 h LEU 166 CO 0.06 -0.16 -0.19 -0.26 0.09 0.00 0.00 178.44 177.98 1sh6 h PHE 167 N 0.12 1.03 -0.27 1.13 0.04 -1.79 0.15 116.94 117.35 1sh6 h PHE 167 Ca 0.41 -0.25 -0.03 0.00 2.80 0.00 0.00 57.97 60.91 1sh6 h PHE 167 Cb 0.73 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.63 1sh6 h PHE 167 CO -0.40 1.03 0.06 -0.91 -0.60 0.00 0.00 178.31 177.50 1sh6 h ASN 168 N 0.72 0.42 -1.01 2.17 2.35 -0.46 -2.15 115.58 117.62 1sh6 h ASN 168 Ca 0.10 -0.24 0.04 0.00 -0.55 0.00 0.00 56.30 55.66 1sh6 h ASN 168 Cb 0.75 -0.11 -0.06 0.00 0.05 0.00 0.00 38.32 38.95 1sh6 h ASN 168 CO 0.06 0.55 0.66 0.00 -1.65 0.00 0.00 177.43 177.05 1sh6 h ALA 169 N 0.89 1.35 -0.57 -0.83 0.00 -0.44 0.32 119.26 119.98 1sh6 h ALA 169 Ca 0.08 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1sh6 h ALA 169 Cb 0.30 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1sh6 h ALA 169 CO 0.00 0.54 0.29 0.82 0.00 0.00 0.00 179.25 180.90 1sh6 h ILE 170 N 1.26 1.20 -0.31 0.00 2.04 -0.62 -3.17 117.51 117.91 1sh6 h ILE 170 Ca 0.41 -0.53 -0.11 0.00 1.00 0.00 0.00 64.86 65.63 1sh6 h ILE 170 Cb 0.04 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 1sh6 h ILE 170 CO -0.14 0.22 -0.23 0.40 0.00 0.00 0.00 178.15 178.40 1sh6 h ILE 171 N 0.77 1.30 0.00 -0.67 2.04 -0.47 -2.91 117.51 117.58 1sh6 h ILE 171 Ca 0.20 -1.38 -0.25 0.00 1.00 0.00 0.00 64.86 64.43 1sh6 h ILE 171 Cb 0.08 1.51 0.06 0.00 -0.74 0.00 0.00 36.82 37.73 1sh6 h ILE 171 CO -0.03 0.44 1.14 1.57 0.00 0.00 0.00 178.15 181.28 1sh6 n HIS 172 N -4.30 0.00 -0.68 1.37 -0.00 0.99 -1.46 115.22 111.15 1sh6 n HIS 172 Ca -0.03 -0.49 0.00 0.00 0.46 0.00 0.00 57.72 57.66 1sh6 n HIS 172 Cb 0.44 -0.66 0.00 0.00 -0.12 0.00 0.00 29.99 29.65 1sh6 n HIS 172 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1sh6 n ARG 173 N 6.25 0.00 -0.58 1.57 1.74 -1.10 -4.76 116.66 119.78 1sh6 n ARG 173 Ca 0.20 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 57.28 1sh6 n ARG 173 Cb 0.18 -0.06 -0.00 0.00 -1.02 0.00 0.00 32.46 31.56 1sh6 n ARG 173 CO 0.00 0.00 0.00 -2.39 -1.52 0.00 0.00 177.63 173.72 1sh6 n HIS 174 N 0.00 0.00 -2.72 -1.55 1.44 -1.11 -4.85 115.22 106.43 1sh6 n HIS 174 Ca 0.00 -0.06 -0.20 0.00 -2.01 0.00 0.00 57.72 55.45 1sh6 n HIS 174 Cb 0.05 0.14 -0.00 0.00 0.12 0.00 0.00 29.99 30.30 1sh6 n HIS 174 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1sh6 n LYS 175 N 0.02 2.34 -0.30 -1.40 4.76 -0.53 -4.85 118.16 118.20 1sh6 n LYS 175 Ca -0.02 -4.02 0.22 0.00 -2.87 0.00 0.00 58.31 51.62 1sh6 n LYS 175 Cb 0.62 -1.86 0.52 0.00 -1.84 0.00 0.00 35.03 32.46 1sh6 n LYS 175 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 1sh6 h PRO 176 N 2.84 0.38 -0.24 1.97 0.11 -1.86 0.41 132.00 135.60 1sh6 h PRO 176 Ca 0.12 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.18 1sh6 h PRO 176 Cb 0.93 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.95 1sh6 h PRO 176 CO 0.69 0.25 0.05 0.52 -0.21 0.00 0.00 178.00 179.30 1sh6 h MET 177 N 0.39 0.35 0.00 1.05 2.86 -1.96 -3.23 114.93 114.38 1sh6 h MET 177 Ca 0.56 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 58.15 1sh6 h MET 177 Cb 1.44 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 33.03 1sh6 h MET 177 CO -0.25 0.34 -0.79 -0.07 1.06 0.00 0.00 176.91 177.20 1sh6 h LEU 178 N 0.35 0.00 -8.51 1.22 -0.00 -0.56 -3.45 115.31 104.36 1sh6 h LEU 178 Ca 0.08 -0.04 -0.50 0.00 -0.00 0.00 0.00 57.88 57.42 1sh6 h LEU 178 Cb 0.16 0.00 -0.23 0.00 -0.00 0.00 0.00 40.66 40.58 1sh6 h LEU 178 CO -0.00 0.02 -0.81 0.27 -0.00 0.00 0.00 178.44 177.92 1sh6 s ILE 179 N -3.30 1.43 -0.39 1.22 -4.36 -1.09 -5.10 121.20 109.60 1sh6 s ILE 179 Ca 0.02 -1.29 -0.04 0.00 -0.26 0.00 0.00 60.65 59.08 1sh6 s ILE 179 Cb 0.10 -1.30 0.09 0.00 1.25 0.00 0.00 42.46 42.60 1sh6 s ILE 179 CO 0.76 -0.02 0.18 -0.62 0.24 0.00 0.00 174.94 175.48 1sh6 s ASP 180 N -1.53 5.28 0.50 4.36 -1.08 -1.26 -4.80 116.67 118.14 1sh6 s ASP 180 Ca 0.04 -1.76 0.28 0.00 -0.52 0.00 0.00 52.55 50.59 1sh6 s ASP 180 Cb -0.09 -1.85 1.23 0.00 -1.46 0.00 0.00 42.92 40.75 1sh6 s ASP 180 CO 0.03 -0.49 1.95 0.24 0.52 0.00 0.00 175.17 177.41 1sh6 h MET 181 N 8.13 0.00 0.50 4.34 2.86 -1.97 -2.04 114.93 126.74 1sh6 h MET 181 Ca -0.17 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.45 1sh6 h MET 181 Cb 1.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.72 1sh6 h MET 181 CO 0.68 0.14 -0.24 -0.97 1.06 0.00 0.00 176.91 177.58 1sh6 h ASN 182 N 0.00 -0.57 -0.99 1.22 -0.73 -2.01 -1.93 115.58 110.58 1sh6 h ASN 182 Ca -0.00 -0.03 0.24 0.00 1.87 0.00 0.00 56.30 58.38 1sh6 h ASN 182 Cb 0.56 0.15 -0.08 0.00 0.27 0.00 0.00 38.32 39.22 1sh6 h ASN 182 CO 0.02 -0.32 0.65 0.11 -0.37 0.00 0.00 177.43 177.52 1sh6 h LYS 183 N -0.79 0.36 -0.31 6.67 1.57 -1.94 -1.00 116.57 121.12 1sh6 h LYS 183 Ca -0.07 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.74 1sh6 h LYS 183 Cb 0.57 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.75 1sh6 h LYS 183 CO 0.11 0.24 0.02 0.28 -0.57 0.00 0.00 179.45 179.53 1sh6 h VAL 184 N 0.37 0.79 0.00 0.50 2.07 -0.65 -0.32 116.25 119.00 1sh6 h VAL 184 Ca 0.53 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 68.01 1sh6 h VAL 184 Cb 1.41 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1sh6 h VAL 184 CO -0.22 0.02 0.00 -1.22 0.02 0.00 0.00 177.57 176.17 1sh6 n TYR 185 N -5.15 0.00 0.85 1.57 4.02 -0.41 -1.97 117.16 116.07 1sh6 n TYR 185 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.00 1sh6 n TYR 185 Cb 0.16 -0.34 0.02 0.00 -0.02 0.00 0.00 39.34 39.16 1sh6 n TYR 185 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1sh6 n ARG 186 N -1.34 0.10 -3.31 -0.72 1.74 -0.27 -5.02 116.66 107.84 1sh6 n ARG 186 Ca 0.10 -0.01 -0.23 0.00 -0.77 0.00 0.00 57.85 56.94 1sh6 n ARG 186 Cb 0.21 -1.52 -0.00 0.00 -1.02 0.00 0.00 32.46 30.12 1sh6 n ARG 186 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1sh6 s GLN 187 N -3.07 3.30 0.93 5.56 -0.21 -0.39 -5.07 119.66 120.71 1sh6 s GLN 187 Ca 0.07 -0.50 -0.12 0.00 0.02 0.00 0.00 55.36 54.83 1sh6 s GLN 187 Cb 0.16 -2.67 0.15 0.00 1.00 0.00 0.00 33.01 31.65 1sh6 s GLN 187 CO 0.81 0.02 1.11 0.95 -2.12 0.00 0.00 175.29 176.06 1sh6 s THR 188 N -2.35 2.27 0.24 -0.19 -4.23 -1.26 -4.87 115.64 105.26 1sh6 s THR 188 Ca 0.43 0.09 -0.04 0.00 -1.18 0.00 0.00 61.69 60.98 1sh6 s THR 188 Cb -0.10 -2.69 0.21 0.00 1.34 0.00 0.00 72.50 71.27 1sh6 s THR 188 CO 0.35 -0.12 1.82 0.78 -0.54 0.00 0.00 174.62 176.92 1sh6 h ASN 189 N -1.62 0.73 -0.33 3.99 2.35 -1.90 -2.32 115.58 116.48 1sh6 h ASN 189 Ca -0.52 0.04 -0.14 0.00 -0.55 0.00 0.00 56.30 55.13 1sh6 h ASN 189 Cb 1.32 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 39.57 1sh6 h ASN 189 CO 0.59 0.43 -0.34 -0.07 -1.65 0.00 0.00 177.43 176.39 1sh6 h LEU 190 N 0.85 0.88 -0.46 1.61 3.38 -1.89 -0.68 115.31 119.00 1sh6 h LEU 190 Ca 0.39 -0.47 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1sh6 h LEU 190 Cb 0.31 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1sh6 h LEU 190 CO -0.23 1.17 0.21 -0.33 0.09 0.00 0.00 178.44 179.35 1sh6 h GLU 191 N 0.60 0.67 -0.54 1.13 5.08 -1.87 -1.06 114.58 118.59 1sh6 h GLU 191 Ca 0.05 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1sh6 h GLU 191 Cb 0.92 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 1sh6 h GLU 191 CO 0.08 0.59 0.23 -0.91 -1.00 0.00 0.00 179.01 178.00 1sh6 h ASN 192 N 0.60 0.73 -0.21 1.42 2.35 -1.20 -1.77 115.58 117.49 1sh6 h ASN 192 Ca 0.16 -0.15 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 1sh6 h ASN 192 Cb 0.15 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 1sh6 h ASN 192 CO -0.02 0.68 0.03 -0.07 -1.65 0.00 0.00 177.43 176.40 1sh6 h LEU 193 N 0.73 0.34 0.03 1.61 3.38 -0.94 -1.38 115.31 119.09 1sh6 h LEU 193 Ca 0.18 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.90 1sh6 h LEU 193 Cb 0.16 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1sh6 h LEU 193 CO -0.02 0.52 -0.11 -0.78 0.09 0.00 0.00 178.44 178.14 1sh6 h ASP 194 N 0.15 -0.31 0.37 -0.43 3.58 -1.11 0.13 116.42 118.81 1sh6 h ASP 194 Ca 0.06 0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.55 1sh6 h ASP 194 Cb 0.32 0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.47 1sh6 h ASP 194 CO 0.00 -0.16 -0.46 -0.61 -2.88 0.00 0.00 179.24 175.13 1sh6 h GLN 195 N -0.20 -0.83 -0.49 0.28 4.15 -1.37 0.44 115.11 117.09 1sh6 h GLN 195 Ca 0.03 0.06 0.07 0.00 0.77 0.00 0.00 58.65 59.58 1sh6 h GLN 195 Cb 0.24 0.19 -0.10 0.00 0.21 0.00 0.00 27.48 28.02 1sh6 h GLN 195 CO -0.09 -0.56 -0.47 0.00 -1.93 0.00 0.00 178.83 175.79 1sh6 h ALA 196 N -0.58 -0.48 -0.23 3.38 0.00 -0.91 0.75 119.26 121.18 1sh6 h ALA 196 Ca -0.03 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1sh6 h ALA 196 Cb 0.79 0.99 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 1sh6 h ALA 196 CO -0.12 -0.90 -0.08 0.74 0.00 0.00 0.00 179.25 178.90 1sh6 h PHE 197 N -0.30 0.38 0.04 0.00 0.04 -0.37 -0.62 116.94 116.11 1sh6 h PHE 197 Ca 0.14 -0.04 -0.25 0.00 2.80 0.00 0.00 57.97 60.62 1sh6 h PHE 197 Cb 0.58 -0.11 0.01 0.00 2.20 0.00 0.00 35.95 38.63 1sh6 h PHE 197 CO -0.69 0.44 -1.05 0.77 -0.60 0.00 0.00 178.31 177.18 1sh6 h SER 198 N 0.35 0.63 -0.68 2.17 0.02 0.47 -2.25 113.55 114.26 1sh6 h SER 198 Ca 0.07 -0.54 -0.03 0.00 -0.84 0.00 0.00 61.79 60.45 1sh6 h SER 198 Cb 0.36 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.67 1sh6 h SER 198 CO 0.02 1.35 0.32 0.58 -1.14 0.00 0.00 176.83 177.96 1sh6 h VAL 199 N 0.24 1.23 -0.14 2.27 2.07 -0.32 -1.86 116.25 119.74 1sh6 h VAL 199 Ca -0.11 -0.66 -0.08 0.00 0.82 0.00 0.00 66.70 66.67 1sh6 h VAL 199 Cb 1.71 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 1sh6 h VAL 199 CO 0.19 0.27 -0.26 0.00 0.02 0.00 0.00 177.57 177.79 1sh6 h ALA 200 N 1.15 1.32 0.39 1.67 0.00 -1.07 -0.76 119.26 121.95 1sh6 h ALA 200 Ca 0.23 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1sh6 h ALA 200 Cb 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1sh6 h ALA 200 CO -0.03 0.47 -0.19 1.49 0.00 0.00 0.00 179.25 180.99 1sh6 h GLU 201 N 0.22 -0.50 -0.46 0.00 4.81 -1.11 -1.54 114.58 116.00 1sh6 h GLU 201 Ca 0.04 0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.22 1sh6 h GLU 201 Cb 0.58 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.05 1sh6 h GLU 201 CO 0.04 -0.20 -0.04 0.00 -0.73 0.00 0.00 179.01 178.08 1sh6 h ARG 202 N -1.00 0.79 0.00 1.92 3.08 -1.20 -2.57 114.38 115.40 1sh6 h ARG 202 Ca -0.05 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 59.77 1sh6 h ARG 202 Cb 0.53 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1sh6 h ARG 202 CO 0.09 0.82 -0.71 -0.25 -1.07 0.00 0.00 179.97 178.85 1sh6 n ASP 203 N -4.20 1.96 -0.04 7.04 8.00 -0.30 -4.59 116.55 124.42 1sh6 n ASP 203 Ca 0.02 -0.32 0.01 0.00 0.71 0.00 0.00 54.79 55.21 1sh6 n ASP 203 Cb 0.32 1.11 0.00 0.00 -0.02 0.00 0.00 41.12 42.54 1sh6 n ASP 203 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1sh6 n LEU 204 N -1.39 0.77 -0.59 0.64 4.77 -0.85 -5.03 117.00 115.32 1sh6 n LEU 204 Ca 0.00 -0.84 -0.05 0.00 -0.03 0.00 0.00 56.01 55.09 1sh6 n LEU 204 Cb 0.10 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.19 1sh6 n LEU 204 CO 0.10 0.18 -0.07 0.61 -1.33 0.00 0.00 177.39 176.89 1sh6 n GLY 205 N 0.39 0.25 3.31 -0.72 0.00 -0.82 -4.94 105.19 102.65 1sh6 n GLY 205 Ca 0.01 -0.68 -0.37 0.00 0.00 0.00 0.00 46.02 44.98 1sh6 n GLY 205 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sh6 s VAL 206 N -2.26 3.69 0.25 1.61 1.01 -0.64 -4.97 120.40 119.08 1sh6 s VAL 206 Ca 0.00 -0.79 -0.31 0.00 0.00 0.00 0.00 61.98 60.87 1sh6 s VAL 206 Cb 0.00 -2.90 -0.13 0.00 0.00 0.00 0.00 36.38 33.35 1sh6 s VAL 206 CO 0.00 0.10 1.54 0.41 0.00 0.00 0.00 175.10 177.14 1sh6 n THR 207 N 4.81 0.79 -1.94 3.92 -1.04 -1.26 -2.99 114.28 116.57 1sh6 n THR 207 Ca -0.15 -0.20 -0.24 0.00 -2.04 0.00 0.00 64.05 61.42 1sh6 n THR 207 Cb 0.48 -1.74 -0.07 0.00 -1.82 0.00 0.00 70.33 67.18 1sh6 n THR 207 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1sh6 s ARG 208 N -0.16 2.21 0.24 -2.82 0.52 -1.26 -4.83 118.95 112.85 1sh6 s ARG 208 Ca 0.68 -0.69 0.14 0.00 -0.52 0.00 0.00 55.73 55.34 1sh6 s ARG 208 Cb -0.57 -5.12 0.02 0.00 0.52 0.00 0.00 34.95 29.80 1sh6 s ARG 208 CO 0.46 -4.14 1.38 -0.07 0.02 0.00 0.00 175.30 172.96 1sh6 h LEU 209 N 18.97 0.00 -9.07 2.53 3.38 -1.95 -3.45 115.31 125.72 1sh6 h LEU 209 Ca 0.13 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.43 1sh6 h LEU 209 Cb 0.97 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.53 1sh6 h LEU 209 CO 1.17 0.57 -0.78 -0.76 0.09 0.00 0.00 178.44 178.72 1sh6 s LEU 210 N -6.45 2.76 -0.07 1.67 1.43 -1.26 -4.49 118.68 112.27 1sh6 s LEU 210 Ca 0.03 -0.43 -0.10 0.00 -1.03 0.00 0.00 54.13 52.60 1sh6 s LEU 210 Cb 0.08 -1.61 -0.05 0.00 0.03 0.00 0.00 46.19 44.64 1sh6 s LEU 210 CO 0.76 0.22 0.26 -1.81 0.23 0.00 0.00 176.35 176.01 1sh6 s ASP 211 N -1.77 6.57 0.35 2.29 1.01 -1.26 -5.01 116.67 118.85 1sh6 s ASP 211 Ca 0.17 0.68 0.16 0.00 0.71 0.00 0.00 52.55 54.27 1sh6 s ASP 211 Cb -0.11 -2.15 1.11 0.00 1.01 0.00 0.00 42.92 42.78 1sh6 s ASP 211 CO 0.08 0.37 1.67 -0.65 0.21 0.00 0.00 175.17 176.85 1sh6 h PRO 212 N 4.91 0.31 -0.76 8.23 0.11 -1.91 0.33 132.00 143.22 1sh6 h PRO 212 Ca -0.53 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.54 1sh6 h PRO 212 Cb 1.22 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 1sh6 h PRO 212 CO 0.60 0.20 0.38 1.05 -0.21 0.00 0.00 178.00 180.02 1sh6 h GLU 213 N 0.32 1.07 -0.02 1.05 9.09 -1.94 -2.33 114.58 121.82 1sh6 h GLU 213 Ca 0.73 -0.14 0.01 0.00 0.05 0.00 0.00 59.36 60.01 1sh6 h GLU 213 Cb 1.72 -0.20 -0.00 0.00 -1.65 0.00 0.00 28.75 28.62 1sh6 h GLU 213 CO -0.57 0.82 0.03 -0.44 0.05 0.00 0.00 179.01 178.89 1sh6 h ASP 214 N 1.07 0.00 0.00 3.06 3.32 -0.73 -3.33 116.42 119.81 1sh6 h ASP 214 Ca 0.26 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 57.01 1sh6 h ASP 214 Cb 0.08 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.58 1sh6 h ASP 214 CO -0.04 0.00 -2.15 0.52 -1.72 0.00 0.00 179.24 175.86 1sh6 n VAL 215 N -3.94 1.15 -2.43 -1.35 0.31 -0.97 -4.68 118.33 106.42 1sh6 n VAL 215 Ca -0.02 -0.56 -0.43 0.00 -0.01 0.00 0.00 64.34 63.32 1sh6 n VAL 215 Cb 0.11 -0.93 0.00 0.00 -0.91 0.00 0.00 33.84 32.12 1sh6 n VAL 215 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1sh6 n ASP 216 N -2.87 4.78 -3.98 4.52 2.03 -0.92 -4.48 116.55 115.63 1sh6 n ASP 216 Ca -0.32 -2.95 -0.08 0.00 0.52 0.00 0.00 54.79 51.96 1sh6 n ASP 216 Cb 0.95 -1.64 -0.08 0.00 -0.72 0.00 0.00 41.12 39.63 1sh6 n ASP 216 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1sh6 s VAL 217 N 2.64 0.15 0.23 5.18 -7.23 -1.26 -4.96 120.40 115.15 1sh6 s VAL 217 Ca 0.47 -1.50 -0.06 0.00 -1.81 0.00 0.00 61.98 59.08 1sh6 s VAL 217 Cb 0.06 -1.55 0.19 0.00 0.56 0.00 0.00 36.38 35.64 1sh6 s VAL 217 CO 0.01 -0.69 1.73 -0.65 -0.31 0.00 0.00 175.10 175.18 1sh6 h PRO 218 N 2.87 0.40 -2.91 4.82 0.11 -1.98 -3.36 132.00 131.95 1sh6 h PRO 218 Ca -0.34 -0.02 -0.61 0.00 0.11 0.00 0.00 66.00 65.14 1sh6 h PRO 218 Cb 1.18 -0.09 -0.40 0.00 0.11 0.00 0.00 31.00 31.80 1sh6 h PRO 218 CO 0.59 0.27 -0.75 -0.65 -0.21 0.00 0.00 178.00 177.24 1sh6 s GLN 219 N -6.05 1.39 0.17 1.05 1.11 -1.26 -4.80 119.66 111.27 1sh6 s GLN 219 Ca -0.13 -2.20 -0.33 0.00 0.01 0.00 0.00 55.36 52.71 1sh6 s GLN 219 Cb 0.19 -2.35 -0.15 0.00 -1.01 0.00 0.00 33.01 29.70 1sh6 s GLN 219 CO 0.76 -1.21 1.32 -2.30 0.01 0.00 0.00 175.29 173.86 1sh6 n PRO 220 N 3.23 1.52 -1.60 2.91 -0.02 -1.26 -4.87 135.00 134.92 1sh6 n PRO 220 Ca 0.13 0.55 -0.50 0.00 -2.02 0.00 0.00 63.50 61.66 1sh6 n PRO 220 Cb 0.37 -2.15 -0.06 0.00 -0.02 0.00 0.00 33.50 31.64 1sh6 n PRO 220 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1sh6 n ASP 221 N 2.33 2.86 -0.17 2.55 2.03 -1.26 -4.65 116.55 120.23 1sh6 n ASP 221 Ca 0.15 0.70 -0.08 0.00 0.52 0.00 0.00 54.79 56.09 1sh6 n ASP 221 Cb 0.26 -1.33 0.01 0.00 -0.72 0.00 0.00 41.12 39.34 1sh6 n ASP 221 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1sh6 h GLU 222 N 10.75 0.70 -0.24 -0.67 4.81 -1.90 -2.36 114.58 125.68 1sh6 h GLU 222 Ca -0.40 -0.10 -0.14 0.00 -0.13 0.00 0.00 59.36 58.59 1sh6 h GLU 222 Cb 1.29 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 1sh6 h GLU 222 CO 0.98 0.58 -0.44 0.87 -0.73 0.00 0.00 179.01 180.27 1sh6 h LYS 223 N 0.65 0.59 -0.34 1.92 1.57 -1.92 0.19 116.57 119.24 1sh6 h LYS 223 Ca 0.17 -0.32 -0.15 0.00 -1.87 0.00 0.00 60.65 58.48 1sh6 h LYS 223 Cb 0.09 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1sh6 h LYS 223 CO -0.02 0.91 -0.39 0.77 -0.57 0.00 0.00 179.45 180.15 1sh6 h SER 224 N 0.48 0.88 -0.28 0.86 0.02 -1.88 -0.96 113.55 112.66 1sh6 h SER 224 Ca 0.03 -0.40 -0.02 0.00 -0.84 0.00 0.00 61.79 60.57 1sh6 h SER 224 Cb 0.95 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.24 1sh6 h SER 224 CO 0.09 1.16 0.10 0.40 -1.14 0.00 0.00 176.83 177.44 1sh6 h ILE 225 N 0.67 1.19 -0.92 3.27 1.08 -1.08 -1.69 117.51 120.04 1sh6 h ILE 225 Ca 0.06 -0.58 0.05 0.00 -0.39 0.00 0.00 64.86 63.99 1sh6 h ILE 225 Cb 0.96 1.04 -0.06 0.00 -3.07 0.00 0.00 36.82 35.69 1sh6 h ILE 225 CO 0.09 0.20 0.59 0.40 -0.69 0.00 0.00 178.15 178.73 1sh6 h ILE 226 N 0.31 1.11 -0.23 -0.67 1.08 -0.74 0.38 117.51 118.75 1sh6 h ILE 226 Ca 0.09 -0.38 0.02 0.00 -0.39 0.00 0.00 64.86 64.21 1sh6 h ILE 226 Cb 0.21 -0.09 -0.02 0.00 -3.07 0.00 0.00 36.82 33.84 1sh6 h ILE 226 CO -0.01 0.20 0.07 0.74 -0.69 0.00 0.00 178.15 178.47 1sh6 h THR 227 N 1.11 0.94 -0.29 -0.27 2.02 -0.72 -0.59 112.91 115.10 1sh6 h THR 227 Ca 0.38 -0.06 -0.05 0.00 0.77 0.00 0.00 66.41 67.45 1sh6 h THR 227 Cb 0.08 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 1sh6 h THR 227 CO -0.14 0.03 -0.01 0.22 0.37 0.00 0.00 175.52 175.99 1sh6 h TYR 228 N 0.17 0.57 -0.04 3.16 3.20 -0.99 -2.71 116.97 120.33 1sh6 h TYR 228 Ca 0.10 -0.10 -0.07 0.00 3.14 0.00 0.00 58.73 61.80 1sh6 h TYR 228 Cb 0.07 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 1sh6 h TYR 228 CO -0.13 0.67 -0.29 -0.39 -1.64 0.00 0.00 178.16 176.38 1sh6 h VAL 229 N 0.30 1.23 -0.90 1.81 -1.51 -0.84 -0.61 116.25 115.73 1sh6 h VAL 229 Ca 0.08 -1.08 0.03 0.00 -1.23 0.00 0.00 66.70 64.50 1sh6 h VAL 229 Cb 0.45 1.52 -0.05 0.00 -2.13 0.00 0.00 31.29 31.08 1sh6 h VAL 229 CO 0.02 0.31 0.59 -1.28 -1.23 0.00 0.00 177.57 175.98 1sh6 h SER 230 N 0.07 0.99 -0.71 4.19 0.87 -1.04 -1.31 113.55 116.61 1sh6 h SER 230 Ca 0.01 -0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.50 1sh6 h SER 230 Cb 0.55 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.25 1sh6 h SER 230 CO 0.04 0.69 0.25 0.77 -0.53 0.00 0.00 176.83 178.06 1sh6 h SER 231 N 1.16 1.02 0.34 6.23 4.64 -0.80 -0.91 113.55 125.23 1sh6 h SER 231 Ca 0.35 -0.17 -0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1sh6 h SER 231 Cb -0.05 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 61.75 1sh6 h SER 231 CO -0.10 0.93 -0.39 -0.07 -0.87 0.00 0.00 176.83 176.33 1sh6 h LEU 232 N 1.06 -1.07 -0.88 5.97 3.38 -0.79 -2.87 115.31 120.12 1sh6 h LEU 232 Ca 0.24 0.10 0.24 0.00 0.09 0.00 0.00 57.88 58.54 1sh6 h LEU 232 Cb 0.26 0.37 -0.14 0.00 0.09 0.00 0.00 40.66 41.23 1sh6 h LEU 232 CO -0.01 -0.52 0.26 0.22 0.09 0.00 0.00 178.44 178.48 1sh6 h TYR 233 N -0.76 0.40 -0.32 1.13 5.03 -1.00 0.28 116.97 121.73 1sh6 h TYR 233 Ca -0.02 0.05 -0.02 0.00 2.58 0.00 0.00 58.73 61.32 1sh6 h TYR 233 Cb 0.70 -0.03 -0.02 0.00 1.55 0.00 0.00 36.73 38.93 1sh6 h TYR 233 CO -0.24 -0.20 0.11 -0.44 -1.32 0.00 0.00 178.16 176.07 1sh6 h ASP 234 N 0.23 0.40 1.81 -2.11 3.32 -0.99 -2.45 116.42 116.64 1sh6 h ASP 234 Ca 0.56 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.57 1sh6 h ASP 234 Cb 1.13 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.58 1sh6 h ASP 234 CO -0.64 0.39 -0.06 0.00 -1.72 0.00 0.00 179.24 177.21 1sh6 h ALA 235 N 1.67 0.97 -0.15 3.45 0.00 -0.25 -3.42 119.26 121.53 1sh6 h ALA 235 Ca 0.11 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 1sh6 h ALA 235 Cb 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.78 1sh6 h ALA 235 CO -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 179.25 178.85 1sh6 n MET 236 N -2.87 0.59 0.00 0.00 0.00 -0.82 -5.10 117.12 108.92 1sh6 n MET 236 Ca 0.04 -1.54 0.14 0.00 0.00 0.00 0.00 57.70 56.34 1sh6 n MET 236 Cb 0.51 -1.17 0.81 0.00 0.00 0.00 0.00 33.22 33.37 1sh6 n MET 236 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62