#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x29 n PHE 6 N 0.00 0.00 -0.10 1.12 3.72 -1.26 -4.61 117.46 116.33 1x29 n PHE 6 Ca 0.00 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.49 1x29 n PHE 6 Cb 0.00 0.00 0.44 0.00 -0.94 0.00 0.00 39.48 38.98 1x29 n PHE 6 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1x29 h GLU 7 N 1.69 0.52 -0.65 -1.08 3.07 -2.12 -2.85 114.58 113.17 1x29 h GLU 7 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1x29 h GLU 7 Cb 0.60 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.39 1x29 h GLU 7 CO 0.00 0.35 0.00 0.09 -1.40 0.00 0.00 179.01 178.05 1x29 n ASN 8 N -4.48 4.37 -4.74 1.42 4.13 -1.26 -4.95 115.26 109.75 1x29 n ASN 8 Ca 0.09 -2.29 -0.41 0.00 1.68 0.00 0.00 54.58 53.65 1x29 n ASN 8 Cb 0.28 -0.53 -0.03 0.00 -1.54 0.00 0.00 39.78 37.96 1x29 n ASN 8 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1x29 s ILE 9 N -1.55 3.28 0.06 2.41 1.01 -1.08 -4.98 121.20 120.35 1x29 s ILE 9 Ca 0.48 1.08 -0.19 0.00 0.00 0.00 0.00 60.65 62.03 1x29 s ILE 9 Cb 0.29 -3.69 -0.06 0.00 0.01 0.00 0.00 42.46 39.01 1x29 s ILE 9 CO 0.26 0.17 0.54 0.28 0.00 0.00 0.00 174.94 176.20 1x29 s THR 10 N -0.04 4.79 0.57 2.92 -1.32 -1.26 -5.03 115.64 116.27 1x29 s THR 10 Ca 0.55 1.15 -0.21 0.00 -1.21 0.00 0.00 61.69 61.97 1x29 s THR 10 Cb -0.35 -3.87 -0.04 0.00 -1.51 0.00 0.00 72.50 66.73 1x29 s THR 10 CO 0.39 0.55 1.32 0.00 -2.21 0.00 0.00 174.62 174.67 1x29 n ALA 11 N 1.78 1.38 -2.52 11.08 0.00 -1.26 -4.99 120.51 125.98 1x29 n ALA 11 Ca -0.11 0.09 -0.32 0.00 0.00 0.00 0.00 53.44 53.11 1x29 n ALA 11 Cb 0.51 -2.33 -0.05 0.00 0.00 0.00 0.00 19.45 17.58 1x29 n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x29 s ALA 12 N -1.32 3.66 0.51 0.00 0.00 -1.26 -5.07 121.76 118.28 1x29 s ALA 12 Ca 0.74 -0.39 -0.19 0.00 0.00 0.00 0.00 51.96 52.13 1x29 s ALA 12 Cb -0.41 -2.31 -0.07 0.00 0.00 0.00 0.00 23.12 20.32 1x29 s ALA 12 CO 0.47 0.57 1.03 -1.25 0.00 0.00 0.00 175.76 176.58 1x29 s PRO 13 N -2.70 3.73 0.66 0.00 0.04 -1.26 -5.00 135.00 130.47 1x29 s PRO 13 Ca 0.44 1.25 -0.17 0.00 0.04 0.00 0.00 61.00 62.56 1x29 s PRO 13 Cb -0.12 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.33 1x29 s PRO 13 CO 0.22 -0.48 1.19 0.00 0.04 0.00 0.00 177.00 177.98 1x29 s ALA 14 N -2.21 2.36 0.22 8.56 0.00 -1.26 -4.94 121.76 124.49 1x29 s ALA 14 Ca 0.65 0.88 -0.30 0.00 0.00 0.00 0.00 51.96 53.18 1x29 s ALA 14 Cb -0.15 -3.44 -0.09 0.00 0.00 0.00 0.00 23.12 19.44 1x29 s ALA 14 CO 0.25 -1.47 1.38 0.34 0.00 0.00 0.00 175.76 176.26 1x29 s ASP 15 N -1.94 6.77 0.42 0.00 2.15 -1.26 -4.88 116.67 117.91 1x29 s ASP 15 Ca 0.74 2.54 0.29 0.00 0.43 0.00 0.00 52.55 56.55 1x29 s ASP 15 Cb -0.28 -2.62 1.47 0.00 -0.30 0.00 0.00 42.92 41.20 1x29 s ASP 15 CO 0.39 -0.62 1.88 1.55 -0.17 0.00 0.00 175.17 178.20 1x29 h PRO 16 N 5.27 0.00 0.00 4.34 0.13 -1.99 -0.29 132.00 139.46 1x29 h PRO 16 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1x29 h PRO 16 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1x29 h PRO 16 CO 0.78 0.00 -0.21 -0.89 -0.23 0.00 0.00 178.00 177.45 1x29 n ILE 17 N -2.53 0.56 0.29 -3.56 2.08 -1.26 -4.58 119.36 110.35 1x29 n ILE 17 Ca -0.01 0.26 0.15 0.00 0.56 0.00 0.00 62.75 63.71 1x29 n ILE 17 Cb 0.10 -1.56 0.87 0.00 -0.75 0.00 0.00 39.64 38.30 1x29 n ILE 17 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1x29 h LEU 18 N -0.21 0.00 0.48 1.39 3.38 -1.98 -2.83 115.31 115.54 1x29 h LEU 18 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1x29 h LEU 18 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1x29 h LEU 18 CO 0.00 0.05 -0.23 1.23 0.09 0.00 0.00 178.44 179.58 1x29 h GLY 19 N 0.42 -0.68 -0.51 0.83 0.00 -1.32 -2.72 103.07 99.09 1x29 h GLY 19 Ca -0.00 0.25 0.35 0.00 0.00 0.00 0.00 47.33 47.93 1x29 h GLY 19 CO 0.01 -0.25 0.82 1.41 0.00 0.00 0.00 176.54 178.53 1x29 h LEU 20 N -0.69 0.21 -1.14 3.11 4.07 -1.65 0.10 115.31 119.32 1x29 h LEU 20 Ca -0.07 0.05 0.11 0.00 0.08 0.00 0.00 57.88 58.06 1x29 h LEU 20 Cb 0.52 0.03 -0.07 0.00 1.08 0.00 0.00 40.66 42.21 1x29 h LEU 20 CO 0.11 0.00 0.60 0.00 -1.08 0.00 0.00 178.44 178.07 1x29 h ALA 21 N 1.49 1.61 -0.11 1.53 0.00 -1.56 0.18 119.26 122.41 1x29 h ALA 21 Ca 0.64 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 55.32 1x29 h ALA 21 Cb 2.13 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 19.73 1x29 h ALA 21 CO -0.19 0.18 -0.86 -0.44 0.00 0.00 0.00 179.25 177.95 1x29 h ASP 22 N 0.92 0.93 -0.02 0.00 3.32 -0.88 -1.93 116.42 118.75 1x29 h ASP 22 Ca 0.44 -0.65 -0.00 0.00 0.02 0.00 0.00 57.03 56.85 1x29 h ASP 22 Cb 0.45 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.73 1x29 h ASP 22 CO -0.21 1.45 0.01 -0.07 -1.72 0.00 0.00 179.24 178.70 1x29 h LEU 23 N 0.49 0.02 -0.42 1.55 3.38 -1.27 -1.61 115.31 117.46 1x29 h LEU 23 Ca -0.07 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 57.89 1x29 h LEU 23 Cb 1.49 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 42.20 1x29 h LEU 23 CO 0.17 0.07 0.19 0.15 0.09 0.00 0.00 178.44 179.11 1x29 h PHE 24 N -0.02 0.34 -0.38 1.13 3.57 -0.71 -0.62 116.94 120.25 1x29 h PHE 24 Ca 0.01 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.56 1x29 h PHE 24 Cb 0.05 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 1x29 h PHE 24 CO -0.06 0.16 0.26 0.00 -2.23 0.00 0.00 178.31 176.43 1x29 h ARG 25 N 0.38 0.37 0.22 1.11 -0.00 -1.10 -2.91 114.38 112.45 1x29 h ARG 25 Ca 0.19 -0.02 -0.32 0.00 -0.50 0.00 0.00 59.98 59.32 1x29 h ARG 25 Cb 0.13 -0.08 0.03 0.00 0.00 0.00 0.00 29.97 30.04 1x29 h ARG 25 CO -0.16 0.25 -1.44 0.00 0.00 0.00 0.00 179.97 178.62 1x29 h ALA 26 N 1.78 -0.09 -1.20 0.04 0.00 -0.30 -3.47 119.26 116.02 1x29 h ALA 26 Ca 0.16 -0.88 -0.74 0.00 0.00 0.00 0.00 54.91 53.45 1x29 h ALA 26 Cb 0.15 0.15 0.06 0.00 0.00 0.00 0.00 17.79 18.15 1x29 h ALA 26 CO -0.04 0.78 0.07 -3.47 0.00 0.00 0.00 179.25 176.59 1x29 n ASP 27 N -3.67 0.27 0.08 0.00 -0.08 -0.34 -4.89 116.55 107.93 1x29 n ASP 27 Ca -0.15 1.15 0.12 0.00 -1.51 0.00 0.00 54.79 54.40 1x29 n ASP 27 Cb 1.09 -1.00 0.16 0.00 2.34 0.00 0.00 41.12 43.70 1x29 n ASP 27 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 1x29 h GLU 28 N 3.04 0.00 -6.48 -0.67 -0.00 -1.91 -3.47 114.58 105.10 1x29 h GLU 28 Ca -0.46 0.00 -0.57 0.00 -0.00 0.00 0.00 59.36 58.33 1x29 h GLU 28 Cb 1.41 0.00 0.05 0.00 -0.00 0.00 0.00 28.75 30.20 1x29 h GLU 28 CO 0.67 0.00 0.96 0.54 -0.00 0.00 0.00 179.01 181.17 1x29 n ARG 29 N -2.26 2.38 0.23 1.06 3.00 -1.26 -4.87 116.66 114.95 1x29 n ARG 29 Ca 0.03 0.86 0.10 0.00 -0.01 0.00 0.00 57.85 58.83 1x29 n ARG 29 Cb 0.46 -2.69 0.56 0.00 0.00 0.00 0.00 32.46 30.79 1x29 n ARG 29 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 1x29 h PRO 30 N 7.28 0.00 -0.93 5.56 0.13 -2.02 -3.18 132.00 138.84 1x29 h PRO 30 Ca -0.46 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.27 1x29 h PRO 30 Cb 1.24 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.13 1x29 h PRO 30 CO 0.92 0.21 0.51 0.41 -0.23 0.00 0.00 178.00 179.82 1x29 n GLY 31 N -0.33 4.08 3.73 1.56 0.00 -1.26 -5.01 105.19 107.96 1x29 n GLY 31 Ca -0.01 -0.99 -0.38 0.00 0.00 0.00 0.00 46.02 44.64 1x29 n GLY 31 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x29 n LYS 32 N -0.75 1.39 -4.16 1.61 5.02 -1.20 -4.93 118.16 115.13 1x29 n LYS 32 Ca 0.51 0.53 -0.27 0.00 -2.02 0.00 0.00 58.31 57.05 1x29 n LYS 32 Cb 1.52 -2.54 -0.17 0.00 -0.02 0.00 0.00 35.03 33.82 1x29 n LYS 32 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1x29 s ILE 33 N -1.34 1.18 -0.42 -0.18 1.01 -0.38 -5.02 121.20 116.04 1x29 s ILE 33 Ca 0.77 -0.42 -0.15 0.00 0.00 0.00 0.00 60.65 60.85 1x29 s ILE 33 Cb -0.40 -1.14 0.04 0.00 0.01 0.00 0.00 42.46 40.97 1x29 s ILE 33 CO 0.45 0.39 0.32 0.21 0.00 0.00 0.00 174.94 176.30 1x29 s ASN 34 N 1.33 6.07 -0.18 3.58 3.04 -1.26 0.35 114.94 127.86 1x29 s ASN 34 Ca -0.01 -1.04 0.13 0.00 0.04 0.00 0.00 52.86 51.97 1x29 s ASN 34 Cb -0.14 -2.15 0.41 0.00 -1.54 0.00 0.00 41.25 37.84 1x29 s ASN 34 CO -0.05 -0.50 1.21 0.18 -3.04 0.00 0.00 177.10 174.90 1x29 n LEU 35 N 5.15 2.48 0.00 3.21 4.32 0.12 -4.81 117.00 127.47 1x29 n LEU 35 Ca -0.11 -3.63 0.00 0.00 -0.02 0.00 0.00 56.01 52.24 1x29 n LEU 35 Cb 0.46 -0.46 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1x29 n LEU 35 CO 0.42 1.26 0.00 0.61 -1.22 0.00 0.00 177.39 178.47 1x29 n GLY 36 N -0.94 0.80 3.69 -0.72 0.00 -1.03 -1.67 105.19 105.32 1x29 n GLY 36 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 1x29 n GLY 36 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1x29 n ILE 37 N 0.00 1.47 -1.73 -0.61 -0.00 -1.26 -4.56 119.36 112.67 1x29 n ILE 37 Ca 0.00 -0.37 -0.39 0.00 -0.00 0.00 0.00 62.75 62.00 1x29 n ILE 37 Cb 0.00 -1.54 -0.04 0.00 -0.00 0.00 0.00 39.64 38.05 1x29 n ILE 37 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1x29 n GLY 38 N 1.48 2.39 3.20 7.39 0.00 -1.26 -4.88 105.19 113.51 1x29 n GLY 38 Ca 0.08 -1.17 -0.28 0.00 0.00 0.00 0.00 46.02 44.65 1x29 n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x29 s VAL 39 N 6.44 1.68 0.40 1.61 1.01 -1.26 -4.99 120.40 125.29 1x29 s VAL 39 Ca 0.59 -0.87 -0.24 0.00 0.00 0.00 0.00 61.98 61.46 1x29 s VAL 39 Cb 0.08 -1.42 -0.09 0.00 0.00 0.00 0.00 36.38 34.95 1x29 s VAL 39 CO 0.09 0.47 1.06 -0.47 0.00 0.00 0.00 175.10 176.25 1x29 s TYR 40 N -0.14 3.24 0.03 5.22 5.04 -1.26 -4.46 117.35 125.01 1x29 s TYR 40 Ca -0.01 1.63 0.03 0.00 -2.44 0.00 0.00 57.07 56.29 1x29 s TYR 40 Cb -0.11 -3.15 -0.02 0.00 0.35 0.00 0.00 41.96 39.02 1x29 s TYR 40 CO 0.02 -0.70 -0.10 0.15 -1.34 0.00 0.00 175.55 173.58 1x29 s LYS 41 N -2.48 0.68 0.80 4.97 1.02 -1.03 -4.26 119.74 119.43 1x29 s LYS 41 Ca 0.58 -0.62 -0.06 0.00 0.02 0.00 0.00 55.97 55.89 1x29 s LYS 41 Cb -0.23 -0.60 0.17 0.00 -0.52 0.00 0.00 37.83 36.65 1x29 s LYS 41 CO 0.29 0.14 1.09 -0.40 -0.92 0.00 0.00 175.35 175.55 1x29 n ASP 42 N 2.00 0.90 0.32 2.83 5.68 0.61 -4.84 116.55 124.05 1x29 n ASP 42 Ca -0.18 -1.89 0.15 0.00 -0.50 0.00 0.00 54.79 52.37 1x29 n ASP 42 Cb 0.55 -0.76 0.81 0.00 -1.14 0.00 0.00 41.12 40.59 1x29 n ASP 42 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1x29 h GLU 43 N 0.00 0.00 -0.01 0.11 4.39 -1.93 0.35 114.58 117.49 1x29 h GLU 43 Ca -0.36 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.34 1x29 h GLU 43 Cb 1.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1x29 h GLU 43 CO 0.33 0.00 -0.16 0.25 -1.16 0.00 0.00 179.01 178.27 1x29 n THR 44 N -2.84 0.00 -0.80 1.13 -2.24 -1.26 -4.57 114.28 103.71 1x29 n THR 44 Ca -0.02 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1x29 n THR 44 Cb 0.36 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 1x29 n THR 44 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x29 n GLY 45 N 1.28 0.54 3.80 3.38 0.00 0.12 -5.06 105.19 109.26 1x29 n GLY 45 Ca 0.15 -0.52 -0.23 0.00 0.00 0.00 0.00 46.02 45.41 1x29 n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x29 s LYS 46 N -1.03 2.86 -0.83 1.61 1.02 -1.26 -4.81 119.74 117.30 1x29 s LYS 46 Ca 0.00 -1.02 -0.02 0.00 0.02 0.00 0.00 55.97 54.95 1x29 s LYS 46 Cb 0.00 -2.56 0.21 0.00 -0.52 0.00 0.00 37.83 34.96 1x29 s LYS 46 CO 0.00 0.43 0.70 0.99 -0.92 0.00 0.00 175.35 176.55 1x29 s THR 47 N -2.01 4.21 1.02 2.17 2.01 -1.26 -0.29 115.64 121.49 1x29 s THR 47 Ca 0.32 -3.68 -0.13 0.00 0.31 0.00 0.00 61.69 58.51 1x29 s THR 47 Cb -0.08 -3.64 0.20 0.00 0.01 0.00 0.00 72.50 68.99 1x29 s THR 47 CO 0.24 -1.04 1.10 -2.16 -0.69 0.00 0.00 174.62 172.07 1x29 s PRO 48 N -1.08 0.26 -0.18 4.92 0.04 -1.26 -5.03 135.00 132.67 1x29 s PRO 48 Ca 0.25 0.40 -0.13 0.00 0.04 0.00 0.00 61.00 61.56 1x29 s PRO 48 Cb -0.10 -1.73 -0.05 0.00 0.04 0.00 0.00 34.50 32.67 1x29 s PRO 48 CO -0.11 -2.82 0.24 0.08 0.04 0.00 0.00 177.00 174.43 1x29 s VAL 49 N -3.01 5.34 0.69 -0.36 1.01 -1.26 -4.99 120.40 117.81 1x29 s VAL 49 Ca 0.66 0.43 -0.17 0.00 0.00 0.00 0.00 61.98 62.91 1x29 s VAL 49 Cb -0.17 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1x29 s VAL 49 CO 0.57 0.40 1.08 0.18 0.00 0.00 0.00 175.10 177.33 1x29 n LEU 50 N 3.59 4.38 -0.11 3.92 4.77 -1.26 -4.81 117.00 127.48 1x29 n LEU 50 Ca -0.13 0.73 -0.08 0.00 -0.03 0.00 0.00 56.01 56.49 1x29 n LEU 50 Cb 0.52 -1.46 0.07 0.00 -2.33 0.00 0.00 43.42 40.22 1x29 n LEU 50 CO 0.39 -1.68 0.71 0.74 -1.33 0.00 0.00 177.39 176.22 1x29 h THR 51 N 0.02 1.27 -0.59 -5.08 2.02 -1.98 -1.02 112.91 107.56 1x29 h THR 51 Ca -0.48 -1.32 0.01 0.00 0.77 0.00 0.00 66.41 65.38 1x29 h THR 51 Cb 1.34 1.15 -0.03 0.00 -1.74 0.00 0.00 68.15 68.87 1x29 h THR 51 CO 0.49 0.45 0.39 0.77 0.37 0.00 0.00 175.52 177.99 1x29 h SER 52 N 0.74 0.67 -0.34 4.18 4.64 -1.91 -1.55 113.55 119.97 1x29 h SER 52 Ca 0.10 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.38 1x29 h SER 52 Cb 0.72 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 1x29 h SER 52 CO 0.06 0.48 0.11 0.58 -0.87 0.00 0.00 176.83 177.19 1x29 h VAL 53 N 0.79 1.21 -0.88 0.95 2.07 -1.85 -1.56 116.25 116.98 1x29 h VAL 53 Ca 0.22 -0.66 0.01 0.00 0.82 0.00 0.00 66.70 67.08 1x29 h VAL 53 Cb -0.09 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 1x29 h VAL 53 CO -0.05 0.23 0.58 0.11 0.02 0.00 0.00 177.57 178.46 1x29 h LYS 54 N 0.39 1.15 -0.47 1.57 1.79 -0.91 -0.47 116.57 119.63 1x29 h LYS 54 Ca 0.11 -0.07 -0.08 0.00 -2.18 0.00 0.00 60.65 58.43 1x29 h LYS 54 Cb 0.24 -0.26 -0.02 0.00 -1.58 0.00 0.00 32.23 30.62 1x29 h LYS 54 CO -0.00 0.76 -0.00 0.87 -1.08 0.00 0.00 179.45 179.99 1x29 h LYS 55 N 1.18 0.83 -0.84 3.15 1.57 -1.15 -2.34 116.57 118.97 1x29 h LYS 55 Ca 0.32 -0.27 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1x29 h LYS 55 Cb -0.12 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.07 1x29 h LYS 55 CO -0.07 0.88 0.43 0.00 -0.57 0.00 0.00 179.45 180.12 1x29 h ALA 56 N 0.92 1.16 -0.05 3.86 0.00 -0.83 -2.07 119.26 122.25 1x29 h ALA 56 Ca 0.13 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1x29 h ALA 56 Cb 0.51 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1x29 h ALA 56 CO 0.02 0.65 -0.26 0.93 0.00 0.00 0.00 179.25 180.59 1x29 h GLU 57 N 1.19 0.08 -0.35 0.00 5.08 -0.87 -1.75 114.58 117.97 1x29 h GLU 57 Ca 0.29 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.49 1x29 h GLU 57 Cb 0.08 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1x29 h GLU 57 CO -0.04 0.34 -0.34 0.37 -1.00 0.00 0.00 179.01 178.34 1x29 h GLN 58 N 0.08 0.79 0.05 2.33 4.15 -0.85 -1.00 115.11 120.66 1x29 h GLN 58 Ca 0.01 -0.38 -0.00 0.00 0.77 0.00 0.00 58.65 59.05 1x29 h GLN 58 Cb 0.51 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.19 1x29 h GLN 58 CO 0.04 1.01 -0.02 -0.92 -1.93 0.00 0.00 178.83 177.00 1x29 h TYR 59 N 0.66 -0.06 -0.09 3.99 3.20 -0.80 -2.05 116.97 121.83 1x29 h TYR 59 Ca 0.07 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.96 1x29 h TYR 59 Cb 0.89 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 39.15 1x29 h TYR 59 CO 0.05 0.08 -0.08 -0.07 -1.64 0.00 0.00 178.16 176.49 1x29 h LEU 60 N -0.19 -0.26 -1.35 2.82 3.38 -1.22 0.26 115.31 118.75 1x29 h LEU 60 Ca -0.01 0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.12 1x29 h LEU 60 Cb 0.17 0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.00 1x29 h LEU 60 CO 0.01 -0.11 0.53 0.25 0.09 0.00 0.00 178.44 179.20 1x29 h LEU 61 N -0.10 0.65 0.00 1.67 5.85 -1.13 0.21 115.31 122.46 1x29 h LEU 61 Ca 0.06 0.02 -0.17 0.00 0.84 0.00 0.00 57.88 58.64 1x29 h LEU 61 Cb 0.19 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 1x29 h LEU 61 CO -0.15 0.38 -0.87 -0.33 -0.34 0.00 0.00 178.44 177.12 1x29 h GLU 62 N 0.71 0.00 0.00 1.25 4.39 -0.57 -3.39 114.58 116.98 1x29 h GLU 62 Ca 0.38 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.08 1x29 h GLU 62 Cb 0.49 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1x29 h GLU 62 CO -0.15 0.71 -0.41 0.09 -1.16 0.00 0.00 179.01 178.09 1x29 n ASN 63 N -3.24 0.54 -4.71 1.42 4.13 0.83 -4.99 115.26 109.24 1x29 n ASN 63 Ca -0.01 -0.63 -0.42 0.00 1.68 0.00 0.00 54.58 55.20 1x29 n ASN 63 Cb 0.86 1.02 -0.03 0.00 -1.54 0.00 0.00 39.78 40.09 1x29 n ASN 63 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1x29 s GLU 64 N -1.74 4.28 -0.01 3.52 2.02 0.68 -4.89 118.70 122.56 1x29 s GLU 64 Ca 0.02 2.13 0.12 0.00 0.02 0.00 0.00 54.97 57.26 1x29 s GLU 64 Cb 0.05 -3.36 -0.16 0.00 0.10 0.00 0.00 34.13 30.76 1x29 s GLU 64 CO 0.30 -0.54 0.35 0.25 0.02 0.00 0.00 175.26 175.64 1x29 n THR 66 N 4.23 0.00 -3.64 3.63 -2.24 -1.26 -5.00 114.28 110.00 1x29 n THR 66 Ca 0.13 -0.26 -0.11 0.00 -2.27 0.00 0.00 64.05 61.54 1x29 n THR 66 Cb 0.42 0.51 -0.05 0.00 -2.10 0.00 0.00 70.33 69.11 1x29 n THR 66 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1x29 s THR 67 N -2.56 0.07 -0.18 4.28 -1.32 -1.26 -5.03 115.64 109.63 1x29 s THR 67 Ca -0.01 -0.57 0.15 0.00 -1.21 0.00 0.00 61.69 60.05 1x29 s THR 67 Cb 0.08 -1.14 0.40 0.00 -1.51 0.00 0.00 72.50 70.33 1x29 s THR 67 CO 0.49 -0.32 1.27 0.29 -2.21 0.00 0.00 174.62 174.15 1x29 n LYS 68 N -0.12 1.79 -1.69 7.08 4.76 -1.26 -5.06 118.16 123.66 1x29 n LYS 68 Ca -0.16 -2.89 -0.42 0.00 -2.87 0.00 0.00 58.31 51.96 1x29 n LYS 68 Cb 0.63 -1.65 -0.00 0.00 -1.84 0.00 0.00 35.03 32.17 1x29 n LYS 68 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1x29 n ASN 69 N -1.12 2.59 -3.92 4.39 4.05 -1.26 -4.84 115.26 115.14 1x29 n ASN 69 Ca 0.21 1.19 -0.44 0.00 0.45 0.00 0.00 54.58 55.99 1x29 n ASN 69 Cb 0.77 -1.47 -0.03 0.00 1.23 0.00 0.00 39.78 40.28 1x29 n ASN 69 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 1x29 n TYR 70 N 0.24 -0.29 -0.04 1.20 4.01 -1.26 -4.94 117.16 116.09 1x29 n TYR 70 Ca 0.05 0.87 -0.13 0.00 -0.16 0.00 0.00 57.90 58.53 1x29 n TYR 70 Cb 0.36 -1.76 -0.11 0.00 -0.31 0.00 0.00 39.34 37.52 1x29 n TYR 70 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 1x29 h LEU 71 N 1.15 -0.01 0.00 7.72 5.85 -1.88 -3.50 115.31 124.64 1x29 h LEU 71 Ca -0.28 -0.72 0.00 0.00 0.84 0.00 0.00 57.88 57.72 1x29 h LEU 71 Cb 1.28 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.31 1x29 h LEU 71 CO 0.52 0.72 0.00 0.61 -0.34 0.00 0.00 178.44 179.95 1x29 n GLY 72 N 0.91 4.18 0.28 3.75 0.00 -1.26 -4.71 105.19 108.33 1x29 n GLY 72 Ca -0.09 -1.11 0.13 0.00 0.00 0.00 0.00 46.02 44.95 1x29 n GLY 72 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1x29 n ILE 73 N -0.44 -0.34 1.30 -0.61 5.41 -1.26 0.90 119.36 124.32 1x29 n ILE 73 Ca 0.00 1.77 0.12 0.00 1.00 0.00 0.00 62.75 65.64 1x29 n ILE 73 Cb 0.00 -2.60 0.42 0.00 -0.71 0.00 0.00 39.64 36.75 1x29 n ILE 73 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1x29 n ASP 74 N -5.13 1.69 0.00 4.38 5.75 -1.26 -4.46 116.55 117.52 1x29 n ASP 74 Ca 0.20 -1.64 0.00 0.00 -0.01 0.00 0.00 54.79 53.33 1x29 n ASP 74 Cb 0.65 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.67 1x29 n ASP 74 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1x29 n GLY 75 N 1.17 -1.66 3.67 6.12 0.00 0.26 -1.22 105.19 113.52 1x29 n GLY 75 Ca 0.17 -1.40 -0.42 0.00 0.00 0.00 0.00 46.02 44.37 1x29 n GLY 75 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x29 s ILE 76 N 0.00 3.48 0.14 -0.61 1.01 -1.26 -4.75 121.20 119.21 1x29 s ILE 76 Ca 0.00 0.70 -0.20 0.00 0.00 0.00 0.00 60.65 61.14 1x29 s ILE 76 Cb 0.00 -3.45 0.01 0.00 0.01 0.00 0.00 42.46 39.03 1x29 s ILE 76 CO 0.00 -0.04 1.67 -0.65 0.00 0.00 0.00 174.94 175.92 1x29 h PRO 77 N 9.10 -0.10 -0.64 2.79 0.11 -1.96 -2.29 132.00 139.02 1x29 h PRO 77 Ca -0.40 0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.81 1x29 h PRO 77 Cb 1.18 0.02 -0.07 0.00 0.11 0.00 0.00 31.00 32.25 1x29 h PRO 77 CO 0.94 -0.07 0.28 0.93 -0.21 0.00 0.00 178.00 179.87 1x29 h GLU 78 N -0.10 0.47 -0.48 1.05 4.39 -1.99 -0.19 114.58 117.72 1x29 h GLU 78 Ca 0.12 -0.03 0.09 0.00 0.34 0.00 0.00 59.36 59.88 1x29 h GLU 78 Cb 0.28 -0.11 -0.08 0.00 -0.10 0.00 0.00 28.75 28.75 1x29 h GLU 78 CO -0.28 0.31 0.02 0.35 -1.16 0.00 0.00 179.01 178.25 1x29 h PHE 79 N 0.48 0.01 -0.95 4.33 3.57 -1.78 0.14 116.94 122.74 1x29 h PHE 79 Ca 0.32 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.86 1x29 h PHE 79 Cb 0.37 0.07 -0.05 0.00 2.79 0.00 0.00 35.95 39.13 1x29 h PHE 79 CO -0.14 -0.09 0.62 0.78 -2.23 0.00 0.00 178.31 177.25 1x29 h GLY 80 N 0.14 1.35 1.03 2.40 0.00 -0.60 -2.02 103.07 105.36 1x29 h GLY 80 Ca 0.24 -0.52 -0.14 0.00 0.00 0.00 0.00 47.33 46.91 1x29 h GLY 80 CO -0.38 0.51 -0.37 0.07 0.00 0.00 0.00 176.54 176.37 1x29 h ARG 81 N 1.30 0.77 -0.51 4.80 -0.00 -0.07 -2.95 114.38 117.72 1x29 h ARG 81 Ca 0.35 -0.43 -0.08 0.00 -0.00 0.00 0.00 59.98 59.81 1x29 h ARG 81 Cb -0.13 0.03 -0.02 0.00 -0.00 0.00 0.00 29.97 29.85 1x29 h ARG 81 CO -0.07 1.06 -0.01 0.00 -0.00 0.00 0.00 179.97 180.95 1x29 h THR 83 N 0.79 0.97 -0.18 0.00 1.35 -1.39 -2.44 112.91 112.01 1x29 h THR 83 Ca 0.15 -1.72 -0.17 0.00 -0.55 0.00 0.00 66.41 64.11 1x29 h THR 83 Cb 0.48 2.04 -0.00 0.00 -1.73 0.00 0.00 68.15 68.93 1x29 h THR 83 CO 0.02 0.43 -0.59 1.56 -0.25 0.00 0.00 175.52 176.69 1x29 h GLN 84 N 0.00 0.60 -0.49 4.72 4.20 -1.34 -1.24 115.11 121.56 1x29 h GLN 84 Ca -0.00 -0.40 -0.13 0.00 0.06 0.00 0.00 58.65 58.18 1x29 h GLN 84 Cb 1.00 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.82 1x29 h GLN 84 CO 0.06 1.01 -0.19 0.93 -0.67 0.00 0.00 178.83 179.97 1x29 h GLU 85 N 0.45 1.00 -0.60 1.46 5.08 -1.39 0.46 114.58 121.04 1x29 h GLU 85 Ca -0.00 -0.42 -0.07 0.00 -1.00 0.00 0.00 59.36 57.88 1x29 h GLU 85 Cb 1.15 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.34 1x29 h GLU 85 CO 0.11 1.09 0.11 -0.07 -1.00 0.00 0.00 179.01 179.26 1x29 h LEU 86 N 0.86 0.90 0.15 1.33 3.38 -1.37 0.71 115.31 121.27 1x29 h LEU 86 Ca 0.12 -0.19 -0.20 0.00 0.09 0.00 0.00 57.88 57.69 1x29 h LEU 86 Cb 0.77 -0.24 0.02 0.00 0.09 0.00 0.00 40.66 41.31 1x29 h LEU 86 CO 0.06 0.90 -0.89 -0.07 0.09 0.00 0.00 178.44 178.53 1x29 h LEU 87 N 0.90 0.52 0.00 1.67 3.38 -1.01 -3.41 115.31 117.37 1x29 h LEU 87 Ca 0.19 -0.95 -0.12 0.00 0.09 0.00 0.00 57.88 57.09 1x29 h LEU 87 Cb 0.37 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1x29 h LEU 87 CO 0.01 1.43 -1.84 0.49 0.09 0.00 0.00 178.44 178.61 1x29 n PHE 88 N -4.08 0.00 0.00 1.13 3.72 0.16 -4.68 117.46 113.71 1x29 n PHE 88 Ca -0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 1x29 n PHE 88 Cb 0.85 -0.52 0.00 0.00 -0.94 0.00 0.00 39.48 38.88 1x29 n PHE 88 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1x29 n GLY 89 N 1.83 2.84 0.28 1.37 0.00 0.25 -4.62 105.19 107.14 1x29 n GLY 89 Ca -0.12 -1.44 0.02 0.00 0.00 0.00 0.00 46.02 44.49 1x29 n GLY 89 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x29 n LYS 90 N 1.28 -0.11 -2.10 1.61 5.02 -1.24 -1.01 118.16 121.61 1x29 n LYS 90 Ca 0.00 1.18 -0.35 0.00 -2.02 0.00 0.00 58.31 57.12 1x29 n LYS 90 Cb 0.00 -1.75 0.03 0.00 -0.02 0.00 0.00 35.03 33.28 1x29 n LYS 90 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x29 n GLY 91 N -1.43 5.72 3.81 0.72 0.00 -1.26 -4.99 105.19 107.76 1x29 n GLY 91 Ca 0.10 -2.58 -0.33 0.00 0.00 0.00 0.00 46.02 43.21 1x29 n GLY 91 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x29 s SER 92 N -2.01 6.78 0.28 1.61 0.15 -0.18 -4.96 113.70 115.37 1x29 s SER 92 Ca 0.51 1.77 0.07 0.00 0.70 0.00 0.00 55.95 59.00 1x29 s SER 92 Cb 0.43 -2.55 0.40 0.00 -1.71 0.00 0.00 66.02 62.59 1x29 s SER 92 CO -0.32 -0.47 1.65 0.00 1.20 0.00 0.00 173.24 175.30 1x29 h ALA 93 N 1.86 1.04 -0.41 5.45 0.00 -1.92 -1.92 119.26 123.35 1x29 h ALA 93 Ca -0.49 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 53.91 1x29 h ALA 93 Cb 1.19 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1x29 h ALA 93 CO 0.61 0.65 0.11 -0.07 0.00 0.00 0.00 179.25 180.55 1x29 h LEU 94 N 0.13 0.56 0.05 0.00 3.38 -1.95 0.27 115.31 117.75 1x29 h LEU 94 Ca 0.00 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1x29 h LEU 94 Cb 0.94 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1x29 h LEU 94 CO 0.07 0.55 -0.02 0.40 0.09 0.00 0.00 178.44 179.54 1x29 h ILE 95 N 0.60 1.29 -0.90 1.22 2.04 -1.85 -0.15 117.51 119.75 1x29 h ILE 95 Ca 0.14 -1.63 -0.01 0.00 1.00 0.00 0.00 64.86 64.36 1x29 h ILE 95 Cb 0.21 2.28 -0.04 0.00 -0.74 0.00 0.00 36.82 38.53 1x29 h ILE 95 CO -0.01 0.38 0.53 0.78 0.00 0.00 0.00 178.15 179.84 1x29 h ASN 96 N -0.85 1.10 -0.01 1.72 -0.26 -1.25 -0.80 115.58 115.22 1x29 h ASN 96 Ca -0.01 -0.08 0.00 0.00 -0.56 0.00 0.00 56.30 55.66 1x29 h ASN 96 Cb 0.67 -0.28 0.00 0.00 -1.06 0.00 0.00 38.32 37.65 1x29 h ASN 96 CO 0.01 0.86 0.00 0.47 -1.06 0.00 0.00 177.43 177.71 1x29 n ASP 97 N -4.37 0.15 -4.03 5.81 9.92 0.95 -4.91 116.55 120.06 1x29 n ASP 97 Ca 0.10 -1.43 -0.29 0.00 -0.53 0.00 0.00 54.79 52.64 1x29 n ASP 97 Cb 0.07 -0.01 -0.02 0.00 -0.64 0.00 0.00 41.12 40.52 1x29 n ASP 97 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 1x29 n LYS 98 N -0.70 -3.51 0.00 -1.24 0.00 -0.31 -4.37 118.16 108.03 1x29 n LYS 98 Ca 0.14 0.42 0.13 0.00 -0.00 0.00 0.00 58.31 59.00 1x29 n LYS 98 Cb 0.09 -4.82 0.32 0.00 -0.00 0.00 0.00 35.03 30.61 1x29 n LYS 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1x29 n ARG 99 N -4.42 1.03 -5.26 -1.58 1.74 -0.10 -3.99 116.66 104.08 1x29 n ARG 99 Ca -0.15 -0.67 -0.31 0.00 -0.77 0.00 0.00 57.85 55.95 1x29 n ARG 99 Cb 0.61 -1.49 -0.16 0.00 -1.02 0.00 0.00 32.46 30.40 1x29 n ARG 99 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x29 s ALA 100 N -2.43 2.21 -0.05 7.54 0.00 -1.24 -2.28 121.76 125.51 1x29 s ALA 100 Ca 0.25 -1.11 0.03 0.00 0.00 0.00 0.00 51.96 51.13 1x29 s ALA 100 Cb 0.19 -0.58 0.00 0.00 0.00 0.00 0.00 23.12 22.73 1x29 s ALA 100 CO 0.50 0.53 -0.14 1.03 0.00 0.00 0.00 175.76 177.68 1x29 s ARG 101 N -0.65 1.61 -0.08 0.00 1.81 -0.40 -4.98 118.95 116.27 1x29 s ARG 101 Ca 0.10 -0.50 0.04 0.00 -1.72 0.00 0.00 55.73 53.65 1x29 s ARG 101 Cb -0.10 -1.39 -0.00 0.00 -0.45 0.00 0.00 34.95 33.00 1x29 s ARG 101 CO -0.01 0.17 -0.22 0.99 -0.68 0.00 0.00 175.30 175.55 1x29 s THR 102 N 0.22 1.90 -0.11 0.02 2.01 -1.26 -0.23 115.64 118.18 1x29 s THR 102 Ca -0.06 -0.94 -0.01 0.00 0.31 0.00 0.00 61.69 60.98 1x29 s THR 102 Cb -0.12 -1.64 -0.03 0.00 0.01 0.00 0.00 72.50 70.73 1x29 s THR 102 CO 0.02 0.53 -0.07 0.00 -0.69 0.00 0.00 174.62 174.41 1x29 s ALA 103 N 0.23 2.93 0.06 7.40 0.00 -0.41 -4.84 121.76 127.14 1x29 s ALA 103 Ca -0.13 -0.86 -0.30 0.00 0.00 0.00 0.00 51.96 50.66 1x29 s ALA 103 Cb -0.16 -1.36 -0.05 0.00 0.00 0.00 0.00 23.12 21.55 1x29 s ALA 103 CO 0.07 0.37 1.14 -1.14 0.00 0.00 0.00 175.76 176.20 1x29 s GLN 104 N -0.14 4.48 0.22 0.00 0.74 -0.36 -1.24 119.66 123.36 1x29 s GLN 104 Ca 0.02 1.69 0.05 0.00 0.05 0.00 0.00 55.36 57.17 1x29 s GLN 104 Cb -0.13 -3.36 -0.05 0.00 1.10 0.00 0.00 33.01 30.57 1x29 s GLN 104 CO 0.03 -0.17 -0.06 0.95 -0.55 0.00 0.00 175.29 175.48 1x29 s THR 105 N 0.89 1.34 -1.16 -0.34 -4.23 -0.59 -4.67 115.64 106.87 1x29 s THR 105 Ca 0.56 -2.09 -0.21 0.00 -1.18 0.00 0.00 61.69 58.77 1x29 s THR 105 Cb -0.28 -2.22 0.05 0.00 1.34 0.00 0.00 72.50 71.40 1x29 s THR 105 CO 0.30 -0.45 1.63 -2.16 -0.54 0.00 0.00 174.62 173.39 1x29 s PRO 106 N -3.77 3.70 0.00 3.99 0.04 -1.26 -0.81 135.00 136.89 1x29 s PRO 106 Ca 0.25 -1.52 0.00 0.00 0.04 0.00 0.00 61.00 59.77 1x29 s PRO 106 Cb 0.03 -5.43 0.00 0.00 0.04 0.00 0.00 34.50 29.14 1x29 s PRO 106 CO 0.07 -2.36 0.00 0.41 0.04 0.00 0.00 177.00 175.17 1x29 n GLY 107 N 6.12 -1.64 0.23 0.56 0.00 -1.05 -2.95 105.19 106.46 1x29 n GLY 107 Ca 0.42 -1.54 -0.04 0.00 0.00 0.00 0.00 46.02 44.86 1x29 n GLY 107 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1x29 h GLY 108 N 0.00 0.51 0.86 -0.02 0.00 -1.77 -2.10 103.07 100.55 1x29 h GLY 108 Ca 0.00 -0.42 0.03 0.00 0.00 0.00 0.00 47.33 46.93 1x29 h GLY 108 CO 0.00 0.39 0.28 -0.84 0.00 0.00 0.00 176.54 176.37 1x29 h THR 109 N 0.41 1.03 -0.87 4.70 2.02 -1.90 0.01 112.91 118.31 1x29 h THR 109 Ca 0.06 -0.19 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 1x29 h THR 109 Cb 0.69 0.43 -0.04 0.00 -1.74 0.00 0.00 68.15 67.49 1x29 h THR 109 CO 0.05 0.10 0.54 1.23 0.37 0.00 0.00 175.52 177.82 1x29 h GLY 110 N 0.56 1.26 1.12 2.16 0.00 -1.37 -1.03 103.07 105.76 1x29 h GLY 110 Ca 0.20 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 1x29 h GLY 110 CO -0.10 0.49 0.54 0.00 0.00 0.00 0.00 176.54 177.47 1x29 h ALA 111 N 1.30 1.30 -0.41 3.60 0.00 -0.62 -1.30 119.26 123.13 1x29 h ALA 111 Ca 0.32 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 1x29 h ALA 111 Cb -0.07 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.35 1x29 h ALA 111 CO -0.06 0.61 -0.09 -0.07 0.00 0.00 0.00 179.25 179.63 1x29 h LEU 112 N 1.20 0.79 -0.47 0.00 3.38 -0.18 -2.52 115.31 117.50 1x29 h LEU 112 Ca 0.31 -0.36 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 1x29 h LEU 112 Cb -0.07 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1x29 h LEU 112 CO -0.06 0.96 0.07 -0.09 0.09 0.00 0.00 178.44 179.41 1x29 h ARG 113 N 0.60 0.78 -0.62 1.13 9.65 -0.80 -0.89 114.38 124.22 1x29 h ARG 113 Ca 0.10 -0.21 -0.04 0.00 -1.10 0.00 0.00 59.98 58.73 1x29 h ARG 113 Cb 0.62 -0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 29.08 1x29 h ARG 113 CO 0.04 0.80 0.22 -0.39 2.80 0.00 0.00 179.97 183.44 1x29 h VAL 114 N 0.65 1.24 -0.71 0.20 -1.51 -1.25 0.15 116.25 115.02 1x29 h VAL 114 Ca 0.14 -0.78 -0.01 0.00 -1.23 0.00 0.00 66.70 64.82 1x29 h VAL 114 Cb 0.40 0.58 -0.03 0.00 -2.13 0.00 0.00 31.29 30.11 1x29 h VAL 114 CO 0.01 0.30 0.40 0.00 -1.23 0.00 0.00 177.57 177.06 1x29 h ALA 115 N 1.08 0.91 -0.31 5.19 0.00 -1.33 0.38 119.26 125.18 1x29 h ALA 115 Ca 0.20 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1x29 h ALA 115 Cb 0.25 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1x29 h ALA 115 CO -0.01 0.41 0.13 0.00 0.00 0.00 0.00 179.25 179.78 1x29 h ALA 116 N 1.20 0.41 -0.44 0.00 0.00 -0.61 -0.95 119.26 118.87 1x29 h ALA 116 Ca 0.25 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1x29 h ALA 116 Cb 0.02 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1x29 h ALA 116 CO -0.04 -0.00 0.06 -0.44 0.00 0.00 0.00 179.25 178.83 1x29 h ASP 117 N 0.36 0.71 -0.45 0.00 3.32 -0.34 -1.30 116.42 118.73 1x29 h ASP 117 Ca 0.11 -0.27 0.06 0.00 0.02 0.00 0.00 57.03 56.95 1x29 h ASP 117 Cb 0.17 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.48 1x29 h ASP 117 CO -0.01 0.80 0.17 0.15 -1.72 0.00 0.00 179.24 178.63 1x29 h PHE 118 N 0.60 0.30 -0.16 4.55 3.57 -0.05 -1.79 116.94 123.96 1x29 h PHE 118 Ca 0.13 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.62 1x29 h PHE 118 Cb 0.40 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.07 1x29 h PHE 118 CO 0.03 0.11 -0.04 -0.07 -2.23 0.00 0.00 178.31 176.10 1x29 h LEU 119 N 0.34 0.32 -1.21 0.59 3.38 -1.01 -2.40 115.31 115.32 1x29 h LEU 119 Ca 0.21 -0.37 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 1x29 h LEU 119 Cb 0.20 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1x29 h LEU 119 CO -0.21 0.62 -0.12 0.00 0.09 0.00 0.00 178.44 178.82 1x29 h ALA 120 N 0.71 1.34 0.00 1.53 0.00 -1.11 -2.30 119.26 119.44 1x29 h ALA 120 Ca 0.04 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1x29 h ALA 120 Cb 0.48 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1x29 h ALA 120 CO 0.02 0.44 -0.82 1.63 0.00 0.00 0.00 179.25 180.52 1x29 n LYS 121 N -4.23 0.18 0.00 0.00 5.02 -0.68 -4.54 118.16 113.91 1x29 n LYS 121 Ca 0.00 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1x29 n LYS 121 Cb 0.30 -1.57 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 1x29 n LYS 121 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1x29 n ASN 122 N -1.82 0.48 -1.93 4.39 3.02 -0.91 -5.09 115.26 113.40 1x29 n ASN 122 Ca 0.03 -0.83 -0.06 0.00 -0.03 0.00 0.00 54.58 53.69 1x29 n ASN 122 Cb 0.40 0.15 -0.02 0.00 -0.61 0.00 0.00 39.78 39.71 1x29 n ASN 122 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1x29 n THR 123 N -0.15 0.00 1.03 3.41 -2.24 -0.87 -5.04 114.28 110.42 1x29 n THR 123 Ca 0.00 -0.57 0.11 0.00 -2.27 0.00 0.00 64.05 61.32 1x29 n THR 123 Cb 0.07 0.22 0.03 0.00 -2.10 0.00 0.00 70.33 68.56 1x29 n THR 123 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1x29 n SER 124 N -2.10 1.48 -4.50 3.42 3.41 -1.26 -4.84 113.62 109.23 1x29 n SER 124 Ca -0.01 -1.19 -0.56 0.00 -0.26 0.00 0.00 58.87 56.86 1x29 n SER 124 Cb 0.15 0.57 -0.07 0.00 -0.26 0.00 0.00 64.21 64.60 1x29 n SER 124 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1x29 n VAL 125 N -0.65 0.35 -0.05 -3.33 0.31 -1.26 -4.90 118.33 108.80 1x29 n VAL 125 Ca 0.08 -0.09 -0.08 0.00 -0.01 0.00 0.00 64.34 64.24 1x29 n VAL 125 Cb 0.40 -0.17 -0.04 0.00 -0.91 0.00 0.00 33.84 33.12 1x29 n VAL 125 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1x29 n LYS 126 N 1.58 0.23 -4.21 5.55 0.00 -1.26 -4.82 118.16 115.22 1x29 n LYS 126 Ca 0.19 0.07 -0.13 0.00 -0.00 0.00 0.00 58.31 58.44 1x29 n LYS 126 Cb 0.13 -1.09 -0.10 0.00 -0.00 0.00 0.00 35.03 33.97 1x29 n LYS 126 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 1x29 s ARG 129 N -2.19 0.96 -0.05 -1.58 3.03 -1.26 -1.00 118.95 116.87 1x29 s ARG 129 Ca -0.13 -1.38 0.06 0.00 2.03 0.00 0.00 55.73 56.31 1x29 s ARG 129 Cb 0.04 -0.47 -0.01 0.00 -1.03 0.00 0.00 34.95 33.48 1x29 s ARG 129 CO 0.20 0.04 -0.24 0.08 -1.13 0.00 0.00 175.30 174.26 1x29 s VAL 133 N -3.34 1.95 -0.22 4.99 1.01 0.31 -3.05 120.40 122.05 1x29 s VAL 133 Ca 0.14 -1.02 -0.12 0.00 0.00 0.00 0.00 61.98 60.98 1x29 s VAL 133 Cb 0.03 -1.64 -0.05 0.00 0.00 0.00 0.00 36.38 34.72 1x29 s VAL 133 CO -0.01 0.55 0.22 0.26 0.00 0.00 0.00 175.10 176.11 1x29 s TRP 134 N -0.24 3.35 0.00 5.22 0.52 0.63 0.12 118.94 128.54 1x29 s TRP 134 Ca -0.00 0.35 0.07 0.00 0.02 0.00 0.00 56.10 56.54 1x29 s TRP 134 Cb -0.12 -2.32 -0.02 0.00 -1.15 0.00 0.00 33.47 29.85 1x29 s TRP 134 CO 0.02 0.08 -0.21 0.08 0.02 0.00 0.00 176.95 176.95 1x29 s VAL 135 N 1.00 1.64 0.69 4.03 1.01 0.37 -0.69 120.40 128.45 1x29 s VAL 135 Ca 0.11 -0.99 -0.17 0.00 0.00 0.00 0.00 61.98 60.94 1x29 s VAL 135 Cb -0.13 -1.38 0.01 0.00 0.00 0.00 0.00 36.38 34.87 1x29 s VAL 135 CO 0.05 0.37 1.19 -1.54 0.00 0.00 0.00 175.10 175.17 1x29 n SER 136 N 2.33 1.46 -4.01 3.32 3.41 -1.26 -1.56 113.62 117.31 1x29 n SER 136 Ca -0.16 0.75 -0.31 0.00 -0.26 0.00 0.00 58.87 58.89 1x29 n SER 136 Cb 0.53 -1.51 -0.15 0.00 -0.26 0.00 0.00 64.21 62.82 1x29 n SER 136 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1x29 s ASN 137 N -1.57 4.00 1.01 4.04 2.47 -0.50 -3.50 114.94 120.90 1x29 s ASN 137 Ca 0.79 -1.21 -0.14 0.00 0.42 0.00 0.00 52.86 52.72 1x29 s ASN 137 Cb -0.36 -1.34 0.19 0.00 -1.45 0.00 0.00 41.25 38.29 1x29 s ASN 137 CO 0.45 -0.20 1.09 -0.81 -3.72 0.00 0.00 177.10 173.90 1x29 n PRO 138 N 4.58 -1.14 -3.80 0.43 -0.04 -1.26 -3.47 135.00 130.29 1x29 n PRO 138 Ca -0.13 -1.68 -0.03 0.00 -0.04 0.00 0.00 63.50 61.62 1x29 n PRO 138 Cb 0.44 -1.14 0.00 0.00 -0.04 0.00 0.00 33.50 32.76 1x29 n PRO 138 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x29 s SER 139 N -4.95 -0.09 0.03 3.54 0.15 -1.23 -4.74 113.70 106.41 1x29 s SER 139 Ca 0.62 -0.50 -0.32 0.00 0.70 0.00 0.00 55.95 56.45 1x29 s SER 139 Cb -0.02 0.46 -0.11 0.00 -1.71 0.00 0.00 66.02 64.65 1x29 s SER 139 CO 0.43 -0.89 1.87 1.87 1.20 0.00 0.00 173.24 177.73 1x29 n TRP 140 N -0.57 2.46 -0.32 3.44 -0.00 -1.09 -4.63 117.44 116.74 1x29 n TRP 140 Ca -0.05 -0.13 0.24 0.00 -0.00 0.00 0.00 57.50 57.55 1x29 n TRP 140 Cb 0.60 -2.72 0.53 0.00 -0.00 0.00 0.00 31.31 29.73 1x29 n TRP 140 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 177.69 176.34 1x29 h PRO 141 N 9.14 0.35 0.00 5.87 0.11 -1.99 -2.21 132.00 143.27 1x29 h PRO 141 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1x29 h PRO 141 Cb 1.25 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1x29 h PRO 141 CO 0.94 0.23 0.00 -0.97 -0.21 0.00 0.00 178.00 177.99 1x29 h ASN 142 N 0.36 0.00 -0.58 -2.05 -1.24 -2.01 -3.21 115.58 106.84 1x29 h ASN 142 Ca 0.58 0.00 0.10 0.00 0.71 0.00 0.00 56.30 57.69 1x29 h ASN 142 Cb 1.55 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 40.52 1x29 h ASN 142 CO -0.26 0.00 0.18 0.45 -1.29 0.00 0.00 177.43 176.51 1x29 h HIS 143 N 0.00 0.31 -0.64 0.67 3.86 -1.77 -0.86 115.15 116.71 1x29 h HIS 143 Ca 0.00 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.17 1x29 h HIS 143 Cb 0.44 -0.05 -0.03 0.00 1.06 0.00 0.00 27.41 28.84 1x29 h HIS 143 CO 0.00 0.05 0.12 -0.22 0.86 0.00 0.00 177.93 178.74 1x29 h LYS 144 N 0.34 1.06 -0.48 2.45 3.64 -1.77 -2.68 116.57 119.13 1x29 h LYS 144 Ca 0.30 -0.28 -0.06 0.00 -1.27 0.00 0.00 60.65 59.35 1x29 h LYS 144 Cb 0.39 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1x29 h LYS 144 CO -0.33 0.97 0.09 0.77 -2.27 0.00 0.00 179.45 178.68 1x29 h SER 145 N 0.98 0.76 -0.08 4.20 0.02 -1.52 -0.21 113.55 117.69 1x29 h SER 145 Ca 0.20 -0.26 -0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1x29 h SER 145 Cb 0.42 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.75 1x29 h SER 145 CO 0.01 0.82 0.03 0.58 -1.14 0.00 0.00 176.83 177.14 1x29 h VAL 146 N 0.67 1.14 -0.31 2.27 2.07 -1.15 -1.67 116.25 119.27 1x29 h VAL 146 Ca 0.15 -0.40 -0.16 0.00 0.82 0.00 0.00 66.70 67.10 1x29 h VAL 146 Cb 0.38 1.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1x29 h VAL 146 CO 0.01 0.12 -0.43 -0.26 0.02 0.00 0.00 177.57 177.02 1x29 h PHE 147 N -0.02 1.03 -0.12 1.57 0.04 -1.46 -2.98 116.94 115.00 1x29 h PHE 147 Ca 0.03 -0.34 -0.04 0.00 2.80 0.00 0.00 57.97 60.42 1x29 h PHE 147 Cb 0.16 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.09 1x29 h PHE 147 CO -0.02 1.15 -0.09 -0.91 -0.60 0.00 0.00 178.31 177.84 1x29 h ASN 148 N 0.61 0.17 0.02 2.17 2.35 -1.03 -0.88 115.58 118.99 1x29 h ASN 148 Ca 0.03 -0.03 -0.08 0.00 -0.55 0.00 0.00 56.30 55.68 1x29 h ASN 148 Cb 1.03 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 39.35 1x29 h ASN 148 CO 0.10 0.29 -0.23 0.28 -1.65 0.00 0.00 177.43 176.22 1x29 h SER 149 N 0.18 0.35 -0.14 5.81 0.02 -1.16 -1.33 113.55 117.28 1x29 h SER 149 Ca 0.04 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1x29 h SER 149 Cb 0.28 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.72 1x29 h SER 149 CO 0.01 0.59 0.00 0.00 -1.14 0.00 0.00 176.83 176.30 1x29 n ALA 150 N -2.48 2.51 -0.85 3.77 0.00 -0.91 -4.88 120.51 117.66 1x29 n ALA 150 Ca -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1x29 n ALA 150 Cb 0.37 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.75 1x29 n ALA 150 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x29 n GLY 151 N 0.85 0.65 3.81 0.00 0.00 -0.50 -4.77 105.19 105.23 1x29 n GLY 151 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 1x29 n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x29 s LEU 152 N 0.00 4.52 0.29 0.99 2.01 -0.38 -4.98 118.68 121.13 1x29 s LEU 152 Ca 0.00 1.29 -0.29 0.00 0.01 0.00 0.00 54.13 55.14 1x29 s LEU 152 Cb 0.00 -2.95 -0.09 0.00 0.01 0.00 0.00 46.19 43.16 1x29 s LEU 152 CO 0.00 0.26 1.07 -0.70 1.01 0.00 0.00 176.35 177.99 1x29 s GLU 154 N -1.16 4.61 -0.13 1.70 2.12 -0.17 -3.59 118.70 122.08 1x29 s GLU 154 Ca 0.30 1.73 0.00 0.00 0.36 0.00 0.00 54.97 57.36 1x29 s GLU 154 Cb -0.20 -3.12 -0.01 0.00 0.26 0.00 0.00 34.13 31.06 1x29 s GLU 154 CO 0.20 0.20 -0.14 0.08 -0.54 0.00 0.00 175.26 175.06 1x29 s VAL 155 N -1.23 2.99 0.04 3.70 1.01 -1.26 0.12 120.40 125.77 1x29 s VAL 155 Ca 0.46 -0.68 0.09 0.00 0.00 0.00 0.00 61.98 61.84 1x29 s VAL 155 Cb -0.30 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.80 1x29 s VAL 155 CO 0.38 0.53 -0.26 -0.13 0.00 0.00 0.00 175.10 175.62 1x29 s ARG 156 N 0.37 1.78 -0.11 2.72 1.81 0.32 -4.90 118.95 120.93 1x29 s ARG 156 Ca -0.11 -1.09 -0.02 0.00 -1.72 0.00 0.00 55.73 52.79 1x29 s ARG 156 Cb -0.16 -1.94 -0.03 0.00 -0.45 0.00 0.00 34.95 32.37 1x29 s ARG 156 CO 0.06 0.50 -0.03 -1.21 -0.68 0.00 0.00 175.30 173.94 1x29 s GLU 157 N -1.21 3.18 0.01 3.54 2.02 -1.26 0.14 118.70 125.12 1x29 s GLU 157 Ca 0.11 -0.49 0.06 0.00 0.02 0.00 0.00 54.97 54.67 1x29 s GLU 157 Cb -0.10 -2.78 -0.03 0.00 0.10 0.00 0.00 34.13 31.32 1x29 s GLU 157 CO 0.02 0.52 -0.16 1.52 0.02 0.00 0.00 175.26 177.18 1x29 s TYR 158 N -0.38 2.64 0.74 1.61 -0.85 -0.60 -4.91 117.35 115.59 1x29 s TYR 158 Ca 0.06 -0.21 -0.16 0.00 -0.52 0.00 0.00 57.07 56.25 1x29 s TYR 158 Cb -0.12 -1.53 0.01 0.00 0.38 0.00 0.00 41.96 40.69 1x29 s TYR 158 CO 0.02 0.24 0.88 0.00 -1.52 0.00 0.00 175.55 175.18 1x29 n ALA 159 N 1.78 -0.56 0.03 9.51 0.00 -1.26 -1.41 120.51 128.61 1x29 n ALA 159 Ca -0.16 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1x29 n ALA 159 Cb 0.52 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.91 1x29 n ALA 159 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1x29 n TYR 160 N -2.60 -2.63 -3.75 0.00 9.36 -1.23 -4.06 117.16 112.25 1x29 n TYR 160 Ca 0.12 0.22 -0.36 0.00 3.32 0.00 0.00 57.90 61.20 1x29 n TYR 160 Cb 0.50 0.96 -0.07 0.00 -0.63 0.00 0.00 39.34 40.09 1x29 n TYR 160 CO 0.00 0.00 0.00 -0.47 0.22 0.00 0.00 176.86 176.61 1x29 s TYR 161 N -2.00 3.46 -0.65 2.98 5.04 -1.25 -0.74 117.35 124.20 1x29 s TYR 161 Ca 0.00 0.40 -0.17 0.00 -2.44 0.00 0.00 57.07 54.86 1x29 s TYR 161 Cb 0.00 -2.12 0.13 0.00 0.35 0.00 0.00 41.96 40.32 1x29 s TYR 161 CO 0.00 0.40 0.70 0.34 -1.34 0.00 0.00 175.55 175.65 1x29 s ASP 162 N 0.03 6.32 0.58 4.32 -1.08 0.22 -4.77 116.67 122.29 1x29 s ASP 162 Ca 0.10 -1.78 0.38 0.00 -0.52 0.00 0.00 52.55 50.73 1x29 s ASP 162 Cb -0.11 -2.27 1.79 0.00 -1.46 0.00 0.00 42.92 40.86 1x29 s ASP 162 CO -0.00 -0.96 2.13 0.00 0.52 0.00 0.00 175.17 176.85 1x29 h ALA 163 N 8.86 1.00 0.11 3.66 0.00 -1.96 0.61 119.26 131.53 1x29 h ALA 163 Ca -0.19 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1x29 h ALA 163 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1x29 h ALA 163 CO 1.03 0.00 -0.05 1.05 0.00 0.00 0.00 179.25 181.28 1x29 h GLU 164 N 0.00 -0.14 -0.15 0.00 9.09 -1.94 -3.33 114.58 118.11 1x29 h GLU 164 Ca 0.00 0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.42 1x29 h GLU 164 Cb 0.28 0.03 0.00 0.00 -1.65 0.00 0.00 28.75 27.42 1x29 h GLU 164 CO 0.00 -0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.15 1x29 n ASN 165 N -4.86 1.40 -4.02 3.06 5.03 -1.20 -4.91 115.26 109.75 1x29 n ASN 165 Ca -0.03 -1.69 -0.27 0.00 0.87 0.00 0.00 54.58 53.46 1x29 n ASN 165 Cb 0.10 -0.10 -0.03 0.00 -1.02 0.00 0.00 39.78 38.73 1x29 n ASN 165 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 1x29 n HIS 166 N 0.15 -1.64 -4.25 3.10 8.25 0.21 -4.94 115.22 116.09 1x29 n HIS 166 Ca 0.15 0.75 -0.18 0.00 -0.26 0.00 0.00 57.72 58.18 1x29 n HIS 166 Cb 0.28 -3.56 -0.08 0.00 1.12 0.00 0.00 29.99 27.75 1x29 n HIS 166 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1x29 s THR 167 N -3.88 0.00 -0.15 1.59 -1.32 -0.83 -4.95 115.64 106.09 1x29 s THR 167 Ca 0.13 -1.97 -0.26 0.00 -1.21 0.00 0.00 61.69 58.37 1x29 s THR 167 Cb -0.07 -2.51 -0.01 0.00 -1.51 0.00 0.00 72.50 68.40 1x29 s THR 167 CO 0.90 0.00 0.86 -0.22 -2.21 0.00 0.00 174.62 173.95 1x29 s LEU 168 N -3.32 4.19 -1.25 9.08 0.20 -1.26 0.73 118.68 127.04 1x29 s LEU 168 Ca 0.40 1.25 -0.14 0.00 0.69 0.00 0.00 54.13 56.32 1x29 s LEU 168 Cb 0.03 -3.29 0.14 0.00 -0.43 0.00 0.00 46.19 42.64 1x29 s LEU 168 CO 0.24 -0.40 1.61 -0.67 -0.29 0.00 0.00 176.35 176.83 1x29 n ASP 169 N 5.15 5.08 -0.13 3.68 -0.08 0.08 -4.82 116.55 125.51 1x29 n ASP 169 Ca 0.05 -2.98 0.14 0.00 -1.51 0.00 0.00 54.79 50.49 1x29 n ASP 169 Cb 0.49 -1.60 0.50 0.00 2.34 0.00 0.00 41.12 42.85 1x29 n ASP 169 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 1x29 h PHE 170 N 6.94 0.47 -0.18 -0.67 3.57 -1.93 0.58 116.94 125.72 1x29 h PHE 170 Ca 0.37 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.84 1x29 h PHE 170 Cb 0.82 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 1x29 h PHE 170 CO 1.21 0.20 -0.06 -0.44 -2.23 0.00 0.00 178.31 176.99 1x29 h ASP 171 N 0.42 0.36 -0.01 0.41 3.32 -1.98 -1.70 116.42 117.24 1x29 h ASP 171 Ca 0.33 -0.38 -0.09 0.00 0.02 0.00 0.00 57.03 56.91 1x29 h ASP 171 Cb 0.72 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 1x29 h ASP 171 CO -0.10 0.66 -0.24 0.00 -1.72 0.00 0.00 179.24 177.83 1x29 h ALA 172 N 0.71 1.17 0.00 3.45 0.00 -1.71 -1.81 119.26 121.07 1x29 h ALA 172 Ca 0.04 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1x29 h ALA 172 Cb 0.51 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1x29 h ALA 172 CO 0.02 0.53 -0.00 1.25 0.00 0.00 0.00 179.25 181.05 1x29 h LEU 173 N 0.37 -0.00 -0.83 0.00 6.46 -0.78 -0.71 115.31 119.81 1x29 h LEU 173 Ca 0.06 -0.24 -0.08 0.00 -0.12 0.00 0.00 57.88 57.49 1x29 h LEU 173 Cb 0.63 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.54 1x29 h LEU 173 CO 0.05 0.24 -0.01 0.40 -0.62 0.00 0.00 178.44 178.49 1x29 h ILE 174 N -0.25 1.25 -0.21 4.05 2.04 -1.24 -1.86 117.51 121.29 1x29 h ILE 174 Ca -0.00 -1.06 -0.16 0.00 1.00 0.00 0.00 64.86 64.64 1x29 h ILE 174 Cb 0.24 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 1x29 h ILE 174 CO 0.00 0.38 -0.52 0.78 0.00 0.00 0.00 178.15 178.79 1x29 h ASN 175 N 0.80 0.67 -0.48 1.72 2.35 -1.29 -2.80 115.58 116.54 1x29 h ASN 175 Ca 0.15 -0.34 -0.08 0.00 -0.55 0.00 0.00 56.30 55.48 1x29 h ASN 175 Cb 0.50 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.66 1x29 h ASN 175 CO 0.02 1.06 -0.00 0.28 -1.65 0.00 0.00 177.43 177.14 1x29 h SER 176 N 0.47 0.84 0.67 5.81 0.02 -0.94 -2.85 113.55 117.59 1x29 h SER 176 Ca 0.02 -0.31 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1x29 h SER 176 Cb 1.06 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.37 1x29 h SER 176 CO 0.10 0.95 0.00 0.18 -1.14 0.00 0.00 176.83 176.92 1x29 n LEU 177 N -4.33 0.00 0.00 5.07 4.77 -0.72 -2.76 117.00 119.03 1x29 n LEU 177 Ca 0.01 0.48 0.06 0.00 -0.03 0.00 0.00 56.01 56.52 1x29 n LEU 177 Cb 0.31 -0.48 0.27 0.00 -2.33 0.00 0.00 43.42 41.20 1x29 n LEU 177 CO 0.42 -0.14 0.68 0.59 -1.33 0.00 0.00 177.39 177.62 1x29 n ASN 178 N -1.48 0.00 -0.58 -1.43 3.02 -1.06 -1.29 115.26 112.44 1x29 n ASN 178 Ca 0.06 0.41 0.13 0.00 -0.03 0.00 0.00 54.58 55.14 1x29 n ASN 178 Cb 0.23 -0.45 0.28 0.00 -0.61 0.00 0.00 39.78 39.23 1x29 n ASN 178 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1x29 n GLU 179 N -1.45 1.62 -2.80 3.52 2.13 -1.11 -4.83 120.64 117.71 1x29 n GLU 179 Ca 0.04 -1.16 -0.43 0.00 0.66 0.00 0.00 57.16 56.26 1x29 n GLU 179 Cb 0.13 -1.48 -0.04 0.00 0.27 0.00 0.00 31.44 30.33 1x29 n GLU 179 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1x29 s ALA 180 N -2.19 3.21 1.01 4.31 0.00 -0.41 -5.03 121.76 122.67 1x29 s ALA 180 Ca 0.29 -0.84 -0.12 0.00 0.00 0.00 0.00 51.96 51.28 1x29 s ALA 180 Cb 0.20 -3.68 0.20 0.00 0.00 0.00 0.00 23.12 19.83 1x29 s ALA 180 CO 0.40 -2.14 1.08 -0.65 0.00 0.00 0.00 175.76 174.45 1x29 s GLN 181 N 3.86 0.32 0.53 0.00 -0.21 -1.26 -4.94 119.66 117.96 1x29 s GLN 181 Ca 0.37 0.78 -0.20 0.00 0.02 0.00 0.00 55.36 56.33 1x29 s GLN 181 Cb -0.10 -1.70 -0.06 0.00 1.00 0.00 0.00 33.01 32.14 1x29 s GLN 181 CO 0.26 -2.87 1.11 0.00 -2.12 0.00 0.00 175.29 171.67 1x29 s ALA 182 N -2.79 2.73 0.00 6.09 0.00 -1.26 -2.51 121.76 124.03 1x29 s ALA 182 Ca 0.66 0.78 0.00 0.00 0.00 0.00 0.00 51.96 53.40 1x29 s ALA 182 Cb -0.21 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1x29 s ALA 182 CO 0.59 -0.69 0.00 0.41 0.00 0.00 0.00 175.76 176.08 1x29 n GLY 183 N 0.08 2.32 3.83 0.00 0.00 -0.25 -5.01 105.19 106.18 1x29 n GLY 183 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 1x29 n GLY 183 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x29 s ASP 184 N -2.22 6.51 -0.13 1.61 1.01 -1.04 -4.58 116.67 117.82 1x29 s ASP 184 Ca 0.00 1.62 -0.06 0.00 0.71 0.00 0.00 52.55 54.82 1x29 s ASP 184 Cb 0.00 -2.52 -0.04 0.00 1.01 0.00 0.00 42.92 41.37 1x29 s ASP 184 CO 0.00 -0.67 0.10 -0.69 0.21 0.00 0.00 175.17 174.13 1x29 s VAL 185 N -2.56 5.18 -0.15 -1.27 1.01 -1.17 -1.27 120.40 120.16 1x29 s VAL 185 Ca 0.60 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.67 1x29 s VAL 185 Cb -0.11 -3.26 0.02 0.00 0.00 0.00 0.00 36.38 33.03 1x29 s VAL 185 CO 0.31 0.58 -0.14 -0.69 0.00 0.00 0.00 175.10 175.16 1x29 s VAL 186 N -0.67 1.56 -0.07 2.92 1.01 -0.75 -0.27 120.40 124.12 1x29 s VAL 186 Ca 0.12 -0.65 -0.23 0.00 0.00 0.00 0.00 61.98 61.22 1x29 s VAL 186 Cb -0.12 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 1x29 s VAL 186 CO 0.02 0.43 0.70 -0.22 0.00 0.00 0.00 175.10 176.04 1x29 s LEU 187 N 1.49 4.31 -0.02 3.92 2.96 0.13 -1.60 118.68 129.87 1x29 s LEU 187 Ca 0.05 1.18 0.05 0.00 -0.22 0.00 0.00 54.13 55.19 1x29 s LEU 187 Cb -0.13 -3.08 -0.01 0.00 0.50 0.00 0.00 46.19 43.47 1x29 s LEU 187 CO -0.10 -0.12 -0.19 -0.36 -1.32 0.00 0.00 176.35 174.26 1x29 s PHE 188 N 0.84 1.72 -0.11 5.38 0.08 -0.07 -4.48 117.98 121.35 1x29 s PHE 188 Ca 0.37 -0.38 -0.24 0.00 0.12 0.00 0.00 56.93 56.80 1x29 s PHE 188 Cb -0.18 -1.12 -0.03 0.00 -0.57 0.00 0.00 43.02 41.12 1x29 s PHE 188 CO 0.18 -0.07 0.75 -1.01 -0.10 0.00 0.00 175.22 174.97 1x29 s HIS 189 N -0.31 3.52 0.26 0.36 3.76 -1.26 -0.32 115.29 121.29 1x29 s HIS 189 Ca 0.04 1.25 -0.02 0.00 -0.15 0.00 0.00 55.06 56.18 1x29 s HIS 189 Cb -0.09 -2.89 0.48 0.00 1.11 0.00 0.00 32.58 31.19 1x29 s HIS 189 CO 0.00 -0.04 1.79 0.78 -0.85 0.00 0.00 174.74 176.42 1x29 h GLY 190 N 7.38 1.36 -3.37 -2.22 0.00 -1.14 -3.46 103.07 101.61 1x29 h GLY 190 Ca -0.37 -0.29 0.23 0.00 0.00 0.00 0.00 47.33 46.90 1x29 h GLY 190 CO 0.78 0.05 0.71 0.00 0.00 0.00 0.00 176.54 178.08 1x29 n HIS 193 N -3.13 1.89 -4.21 0.00 -0.00 -1.26 -4.80 115.22 103.71 1x29 n HIS 193 Ca -0.07 0.55 -0.34 0.00 0.46 0.00 0.00 57.72 58.32 1x29 n HIS 193 Cb 0.60 -2.38 -0.14 0.00 -0.12 0.00 0.00 29.99 27.94 1x29 n HIS 193 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 1x29 s ASN 194 N -0.04 4.30 0.00 0.26 3.84 -1.26 -0.31 114.94 121.72 1x29 s ASN 194 Ca 0.64 -0.33 0.25 0.00 0.21 0.00 0.00 52.86 53.63 1x29 s ASN 194 Cb -0.67 -1.71 0.42 0.00 -0.55 0.00 0.00 41.25 38.74 1x29 s ASN 194 CO 0.55 0.06 1.36 -0.81 -2.79 0.00 0.00 177.10 175.46 1x29 n PRO 195 N 4.26 1.02 0.12 0.43 -0.04 -1.26 -2.66 135.00 136.87 1x29 n PRO 195 Ca -0.18 -0.73 -0.01 0.00 -0.04 0.00 0.00 63.50 62.54 1x29 n PRO 195 Cb 0.52 -1.48 0.23 0.00 -0.04 0.00 0.00 33.50 32.72 1x29 n PRO 195 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1x29 h THR 196 N 1.78 1.34 0.00 0.52 1.35 -1.92 -3.34 112.91 112.63 1x29 h THR 196 Ca 0.00 -1.65 0.00 0.00 -0.55 0.00 0.00 66.41 64.21 1x29 h THR 196 Cb 0.62 1.82 0.00 0.00 -1.73 0.00 0.00 68.15 68.86 1x29 h THR 196 CO 0.00 0.48 0.00 0.61 -0.25 0.00 0.00 175.52 176.36 1x29 n GLY 197 N -0.10 1.17 3.58 5.82 0.00 0.57 -4.39 105.19 111.84 1x29 n GLY 197 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 1x29 n GLY 197 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x29 s ILE 198 N -3.51 5.29 0.22 -0.61 1.01 -1.26 -0.04 121.20 122.30 1x29 s ILE 198 Ca 0.00 0.15 0.07 0.00 0.00 0.00 0.00 60.65 60.88 1x29 s ILE 198 Cb 0.00 -3.59 -0.04 0.00 0.01 0.00 0.00 42.46 38.84 1x29 s ILE 198 CO 0.00 0.19 0.08 -1.81 0.00 0.00 0.00 174.94 173.40 1x29 s ASP 199 N 1.74 5.07 0.61 3.58 1.01 -1.26 -4.57 116.67 122.84 1x29 s ASP 199 Ca 0.08 -0.38 -0.16 0.00 0.71 0.00 0.00 52.55 52.80 1x29 s ASP 199 Cb -0.16 -1.16 -0.03 0.00 1.01 0.00 0.00 42.92 42.58 1x29 s ASP 199 CO 0.11 0.02 1.08 -2.84 0.21 0.00 0.00 175.17 173.75 1x29 s PRO 200 N -3.47 3.16 0.74 8.23 0.02 -1.26 -5.02 135.00 137.40 1x29 s PRO 200 Ca 0.31 1.33 -0.12 0.00 0.02 0.00 0.00 61.00 62.54 1x29 s PRO 200 Cb -0.08 -2.00 0.04 0.00 0.02 0.00 0.00 34.50 32.47 1x29 s PRO 200 CO 0.22 -0.96 1.12 0.95 -0.33 0.00 0.00 177.00 178.00 1x29 s THR 201 N -2.31 3.09 0.19 0.99 -4.23 -1.26 -4.80 115.64 107.32 1x29 s THR 201 Ca 0.66 0.36 -0.12 0.00 -1.18 0.00 0.00 61.69 61.41 1x29 s THR 201 Cb -0.19 -3.33 0.11 0.00 1.34 0.00 0.00 72.50 70.44 1x29 s THR 201 CO 0.36 -0.46 1.73 0.25 -0.54 0.00 0.00 174.62 175.96 1x29 h LEU 202 N -0.79 0.11 -0.61 4.79 5.85 -1.98 0.85 115.31 123.53 1x29 h LEU 202 Ca -0.45 0.08 0.11 0.00 0.84 0.00 0.00 57.88 58.45 1x29 h LEU 202 Cb 1.27 0.08 -0.08 0.00 0.37 0.00 0.00 40.66 42.30 1x29 h LEU 202 CO 0.64 0.09 0.16 -0.33 -0.34 0.00 0.00 178.44 178.66 1x29 h GLU 203 N 0.32 0.29 -0.45 1.25 3.07 -1.99 0.57 114.58 117.65 1x29 h GLU 203 Ca 0.26 -0.02 -0.09 0.00 -0.50 0.00 0.00 59.36 59.02 1x29 h GLU 203 Cb 0.32 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.15 1x29 h GLU 203 CO -0.30 0.19 -0.08 1.96 -1.40 0.00 0.00 179.01 179.39 1x29 h GLN 204 N 0.30 0.78 -0.41 2.33 4.20 -1.56 -1.57 115.11 119.19 1x29 h GLN 204 Ca 0.32 -0.24 -0.02 0.00 0.06 0.00 0.00 58.65 58.76 1x29 h GLN 204 Cb 0.45 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 1x29 h GLN 204 CO -0.38 0.84 0.17 -1.49 -0.67 0.00 0.00 178.83 177.30 1x29 h TRP 205 N 0.72 0.62 -0.28 2.96 -0.00 0.12 -1.27 115.95 118.82 1x29 h TRP 205 Ca 0.13 -0.04 0.07 0.00 -0.00 0.00 0.00 58.89 59.04 1x29 h TRP 205 Cb 0.55 -0.19 -0.08 0.00 -0.00 0.00 0.00 29.16 29.44 1x29 h TRP 205 CO 0.03 0.54 -0.30 1.96 -0.00 0.00 0.00 178.44 180.66 1x29 h GLN 206 N 0.52 -0.28 0.56 0.49 1.08 0.56 0.18 115.11 118.21 1x29 h GLN 206 Ca 0.14 0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.34 1x29 h GLN 206 Cb 0.18 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.66 1x29 h GLN 206 CO -0.01 -0.19 -0.40 1.15 -0.95 0.00 0.00 178.83 178.43 1x29 h THR 207 N -0.29 0.19 -0.77 -0.54 2.02 -1.08 -1.99 112.91 110.45 1x29 h THR 207 Ca 0.14 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.48 1x29 h THR 207 Cb 0.52 0.19 -0.10 0.00 -1.74 0.00 0.00 68.15 67.02 1x29 h THR 207 CO -0.44 0.00 0.28 -0.07 0.37 0.00 0.00 175.52 175.66 1x29 h LEU 208 N -0.93 0.22 -0.14 2.58 3.38 -0.89 0.40 115.31 119.94 1x29 h LEU 208 Ca -0.06 0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.05 1x29 h LEU 208 Cb 0.77 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 1x29 h LEU 208 CO 0.03 0.05 -0.01 0.00 0.09 0.00 0.00 178.44 178.60 1x29 h ALA 209 N 1.59 0.11 -0.19 1.53 0.00 -0.77 0.41 119.26 121.93 1x29 h ALA 209 Ca 0.43 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.38 1x29 h ALA 209 Cb 0.71 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1x29 h ALA 209 CO -0.45 -0.46 0.08 -0.56 0.00 0.00 0.00 179.25 177.86 1x29 h GLN 210 N 0.03 0.27 -0.08 0.00 -0.00 -0.35 -2.17 115.11 112.82 1x29 h GLN 210 Ca 0.06 -0.05 -0.01 0.00 -0.00 0.00 0.00 58.65 58.65 1x29 h GLN 210 Cb 0.08 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.48 27.51 1x29 h GLN 210 CO -0.12 0.33 -0.02 1.25 -0.00 0.00 0.00 178.83 180.28 1x29 h LEU 211 N 0.16 0.09 -0.07 0.06 5.85 0.03 -2.30 115.31 119.13 1x29 h LEU 211 Ca 0.06 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1x29 h LEU 211 Cb 0.15 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 1x29 h LEU 211 CO -0.01 0.13 -0.02 -1.28 -0.34 0.00 0.00 178.44 176.93 1x29 h SER 212 N 0.11 0.13 -0.63 1.25 0.87 0.31 0.99 113.55 116.58 1x29 h SER 212 Ca 0.03 -0.38 -0.03 0.00 -1.23 0.00 0.00 61.79 60.17 1x29 h SER 212 Cb 0.10 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.00 1x29 h SER 212 CO 0.00 0.49 0.28 -0.37 -0.53 0.00 0.00 176.83 176.70 1x29 h VAL 213 N -0.22 1.23 -0.48 2.23 -1.51 -1.18 0.77 116.25 117.09 1x29 h VAL 213 Ca 0.02 -0.67 -0.10 0.00 -1.23 0.00 0.00 66.70 64.71 1x29 h VAL 213 Cb 0.43 0.50 -0.01 0.00 -2.13 0.00 0.00 31.29 30.08 1x29 h VAL 213 CO 0.01 0.27 -0.11 -0.33 -1.23 0.00 0.00 177.57 176.18 1x29 h GLU 214 N 0.87 0.92 0.00 5.19 3.07 -1.41 -2.80 114.58 120.42 1x29 h GLU 214 Ca 0.21 -0.35 0.00 0.00 -0.50 0.00 0.00 59.36 58.72 1x29 h GLU 214 Cb 0.16 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.02 1x29 h GLU 214 CO -0.02 1.00 0.00 1.57 -1.40 0.00 0.00 179.01 180.16 1x29 h LYS 215 N 0.77 0.00 -2.22 2.33 2.10 -0.60 -3.48 116.57 115.47 1x29 h LYS 215 Ca 0.12 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.71 1x29 h LYS 215 Cb 0.66 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 32.02 1x29 h LYS 215 CO 0.05 0.00 -0.12 0.41 -2.00 0.00 0.00 179.45 177.78 1x29 n GLY 216 N 0.77 0.50 3.96 0.07 0.00 0.20 -3.98 105.19 106.71 1x29 n GLY 216 Ca 0.04 -0.45 -0.22 0.00 0.00 0.00 0.00 46.02 45.39 1x29 n GLY 216 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1x29 s TRP 217 N -3.06 3.37 -0.38 1.61 0.51 -0.80 -1.09 118.94 119.10 1x29 s TRP 217 Ca 0.05 0.09 -0.09 0.00 -2.12 0.00 0.00 56.10 54.03 1x29 s TRP 217 Cb -0.02 -1.85 0.05 0.00 -0.81 0.00 0.00 33.47 30.84 1x29 s TRP 217 CO 0.12 0.15 0.19 -1.17 -0.51 0.00 0.00 176.95 175.74 1x29 s LEU 218 N -4.19 4.75 0.09 2.99 0.20 -0.40 -4.83 118.68 117.28 1x29 s LEU 218 Ca 0.40 -1.26 -0.30 0.00 0.69 0.00 0.00 54.13 53.66 1x29 s LEU 218 Cb -0.09 -1.95 -0.06 0.00 -0.43 0.00 0.00 46.19 43.66 1x29 s LEU 218 CO 0.33 -0.42 1.17 -2.84 -0.29 0.00 0.00 176.35 174.29 1x29 s PRO 219 N 1.44 4.47 -0.24 0.98 0.02 -1.26 -1.81 135.00 138.61 1x29 s PRO 219 Ca 0.01 1.74 0.01 0.00 0.02 0.00 0.00 61.00 62.79 1x29 s PRO 219 Cb -0.21 -3.33 0.06 0.00 0.02 0.00 0.00 34.50 31.04 1x29 s PRO 219 CO 0.03 -0.17 -0.06 -1.17 -0.33 0.00 0.00 177.00 175.30 1x29 s LEU 220 N 0.71 2.66 -0.11 -5.54 2.96 -0.62 -1.37 118.68 117.36 1x29 s LEU 220 Ca 0.56 -1.20 -0.13 0.00 -0.22 0.00 0.00 54.13 53.14 1x29 s LEU 220 Cb -0.29 -1.21 -0.05 0.00 0.50 0.00 0.00 46.19 45.14 1x29 s LEU 220 CO 0.31 -0.23 0.30 -0.36 -1.32 0.00 0.00 176.35 175.05 1x29 s PHE 221 N 1.37 3.56 -0.34 5.38 0.40 0.44 -0.89 117.98 127.90 1x29 s PHE 221 Ca -0.06 0.71 -0.09 0.00 -0.60 0.00 0.00 56.93 56.89 1x29 s PHE 221 Cb -0.19 -2.26 0.02 0.00 0.51 0.00 0.00 43.02 41.10 1x29 s PHE 221 CO -0.06 0.44 0.15 0.34 0.70 0.00 0.00 175.22 176.79 1x29 s ASP 222 N -0.24 5.47 -0.71 1.36 -1.08 0.56 -0.19 116.67 121.85 1x29 s ASP 222 Ca 0.19 -0.89 0.04 0.00 -0.52 0.00 0.00 52.55 51.36 1x29 s ASP 222 Cb -0.14 -1.95 0.17 0.00 -1.46 0.00 0.00 42.92 39.54 1x29 s ASP 222 CO 0.07 -0.30 0.50 0.12 0.52 0.00 0.00 175.17 176.08 1x29 s PHE 223 N 1.52 3.57 -2.17 -5.34 5.36 0.12 -0.48 117.98 120.55 1x29 s PHE 223 Ca 0.02 -3.25 0.21 0.00 -0.96 0.00 0.00 56.93 52.95 1x29 s PHE 223 Cb -0.18 -2.82 0.05 0.00 -0.34 0.00 0.00 43.02 39.72 1x29 s PHE 223 CO 0.05 -0.61 1.08 0.00 -1.46 0.00 0.00 175.22 174.28 1x29 n ALA 224 N 2.23 3.16 -1.92 11.12 0.00 -1.26 -1.77 120.51 132.07 1x29 n ALA 224 Ca 0.17 -0.64 0.05 0.00 0.00 0.00 0.00 53.44 53.02 1x29 n ALA 224 Cb 0.35 -0.74 0.08 0.00 0.00 0.00 0.00 19.45 19.14 1x29 n ALA 224 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1x29 n TYR 225 N 0.36 0.00 -1.68 0.00 4.01 -1.26 -4.58 117.16 114.01 1x29 n TYR 225 Ca 0.10 -0.73 -0.46 0.00 -0.16 0.00 0.00 57.90 56.64 1x29 n TYR 225 Cb 0.47 -0.15 -0.04 0.00 -0.31 0.00 0.00 39.34 39.31 1x29 n TYR 225 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 1x29 n GLN 226 N -0.35 2.34 0.00 -0.72 7.27 -1.26 -1.18 117.38 123.47 1x29 n GLN 226 Ca 0.10 0.85 0.00 0.00 0.07 0.00 0.00 57.00 58.02 1x29 n GLN 226 Cb 0.85 -2.71 0.00 0.00 2.41 0.00 0.00 30.24 30.79 1x29 n GLN 226 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1x29 n GLY 227 N 4.22 0.47 0.42 1.69 0.00 -1.26 -4.80 105.19 105.94 1x29 n GLY 227 Ca 0.21 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.34 1x29 n GLY 227 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1x29 n PHE 228 N -1.39 0.00 -0.00 1.61 3.72 -0.33 -4.45 117.46 116.62 1x29 n PHE 228 Ca 0.00 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1x29 n PHE 228 Cb 0.00 -0.03 -0.00 0.00 -0.94 0.00 0.00 39.48 38.51 1x29 n PHE 228 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1x29 n ALA 229 N -0.22 0.03 0.00 4.37 0.00 -1.26 -3.63 120.51 119.80 1x29 n ALA 229 Ca 0.10 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1x29 n ALA 229 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 1x29 n ALA 229 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1x29 n ARG 230 N -2.48 0.40 0.00 0.00 1.74 -1.26 -4.86 116.66 110.20 1x29 n ARG 230 Ca -0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1x29 n ARG 230 Cb 0.02 -0.80 0.00 0.00 -1.02 0.00 0.00 32.46 30.66 1x29 n ARG 230 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1x29 n GLY 231 N 2.58 0.63 0.05 -0.13 0.00 -1.26 -4.98 105.19 102.09 1x29 n GLY 231 Ca 0.00 -0.95 -0.02 0.00 0.00 0.00 0.00 46.02 45.05 1x29 n GLY 231 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1x29 h LEU 233 N 0.00 -0.16 -0.14 0.99 4.07 -1.90 0.31 115.31 118.48 1x29 h LEU 233 Ca 0.00 0.02 0.02 0.00 0.08 0.00 0.00 57.88 58.00 1x29 h LEU 233 Cb 0.00 0.06 -0.02 0.00 1.08 0.00 0.00 40.66 41.78 1x29 h LEU 233 CO 0.00 -0.06 0.00 -0.33 -1.08 0.00 0.00 178.44 176.97 1x29 h GLU 234 N -0.09 0.05 -0.88 1.13 4.39 -1.97 -3.01 114.58 114.19 1x29 h GLU 234 Ca -0.00 -0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.79 1x29 h GLU 234 Cb 0.09 -0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 28.65 1x29 h GLU 234 CO -0.02 0.03 0.53 0.93 -1.16 0.00 0.00 179.01 179.32 1x29 h GLU 235 N 0.05 0.86 0.00 2.33 3.07 -1.93 -1.89 114.58 117.07 1x29 h GLU 235 Ca 0.06 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1x29 h GLU 235 Cb 0.07 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 27.79 1x29 h GLU 235 CO -0.11 0.57 0.00 -0.44 -1.40 0.00 0.00 179.01 177.64 1x29 h ASP 236 N 0.89 0.00 0.92 1.42 3.32 -0.79 -2.86 116.42 119.32 1x29 h ASP 236 Ca 0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.47 1x29 h ASP 236 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1x29 h ASP 236 CO -0.24 0.00 -0.57 0.00 -1.72 0.00 0.00 179.24 176.71 1x29 n ALA 237 N -1.91 2.87 -0.35 3.45 0.00 -0.71 -4.44 120.51 119.41 1x29 n ALA 237 Ca 0.01 -0.23 -0.00 0.00 0.00 0.00 0.00 53.44 53.22 1x29 n ALA 237 Cb 0.25 -1.20 0.05 0.00 0.00 0.00 0.00 19.45 18.55 1x29 n ALA 237 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1x29 n GLU 238 N -2.13 -0.20 -0.16 0.00 1.02 -1.08 -0.32 120.64 117.78 1x29 n GLU 238 Ca 0.03 1.41 -0.03 0.00 -0.02 0.00 0.00 57.16 58.55 1x29 n GLU 238 Cb 0.44 -2.09 0.06 0.00 -0.02 0.00 0.00 31.44 29.83 1x29 n GLU 238 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1x29 h GLY 239 N 0.00 0.64 0.86 0.62 0.00 -1.83 -0.46 103.07 102.90 1x29 h GLY 239 Ca 0.33 -0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.56 1x29 h GLY 239 CO -0.91 -0.01 0.05 -2.00 0.00 0.00 0.00 176.54 173.67 1x29 h LEU 240 N 0.32 0.35 -2.36 3.11 5.85 -0.96 -2.50 115.31 119.11 1x29 h LEU 240 Ca 0.24 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1x29 h LEU 240 Cb 0.27 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 1x29 h LEU 240 CO -0.26 0.50 -0.00 0.03 -0.34 0.00 0.00 178.44 178.36 1x29 h ARG 241 N 0.18 0.00 -0.27 1.25 2.47 -0.51 0.51 114.38 118.02 1x29 h ARG 241 Ca 0.07 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.66 1x29 h ARG 241 Cb 0.29 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.61 1x29 h ARG 241 CO 0.00 0.00 -0.32 0.00 0.56 0.00 0.00 179.97 180.21 1x29 h ALA 242 N 2.00 0.40 -0.26 0.04 0.00 -0.65 -2.40 119.26 118.39 1x29 h ALA 242 Ca -0.00 -0.42 -0.17 0.00 0.00 0.00 0.00 54.91 54.32 1x29 h ALA 242 Cb 0.01 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1x29 h ALA 242 CO 0.00 0.45 -0.54 0.74 0.00 0.00 0.00 179.25 179.90 1x29 h PHE 243 N 0.43 0.95 -0.94 0.00 -1.00 -1.04 -3.23 116.94 112.10 1x29 h PHE 243 Ca 0.04 -0.33 0.05 0.00 2.81 0.00 0.00 57.97 60.53 1x29 h PHE 243 Cb 0.90 -0.18 -0.06 0.00 3.61 0.00 0.00 35.95 40.22 1x29 h PHE 243 CO 0.08 1.13 0.61 0.00 -1.61 0.00 0.00 178.31 178.51 1x29 h ALA 244 N 0.80 1.28 0.00 2.45 0.00 -0.89 0.22 119.26 123.12 1x29 h ALA 244 Ca 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1x29 h ALA 244 Cb 1.12 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1x29 h ALA 244 CO 0.11 0.43 0.00 0.00 0.00 0.00 0.00 179.25 179.80 1x29 n ALA 245 N -2.36 1.89 -0.06 0.00 0.00 -0.91 -3.98 120.51 115.08 1x29 n ALA 245 Ca 0.13 -0.03 -0.10 0.00 0.00 0.00 0.00 53.44 53.45 1x29 n ALA 245 Cb 0.13 -1.35 -0.06 0.00 0.00 0.00 0.00 19.45 18.18 1x29 n ALA 245 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1x29 n MET 246 N -1.76 0.32 -2.74 0.00 0.00 -0.43 -5.05 117.12 107.45 1x29 n MET 246 Ca 0.04 0.08 -0.30 0.00 0.00 0.00 0.00 57.70 57.52 1x29 n MET 246 Cb 0.25 -1.23 -0.03 0.00 0.00 0.00 0.00 33.22 32.22 1x29 n MET 246 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 175.97 174.96 1x29 s HIS 247 N -2.26 3.49 -0.11 1.12 3.76 0.64 -5.00 115.29 116.94 1x29 s HIS 247 Ca -0.18 1.05 0.01 0.00 -0.15 0.00 0.00 55.06 55.79 1x29 s HIS 247 Cb 0.05 -2.46 -0.25 0.00 1.11 0.00 0.00 32.58 31.03 1x29 s HIS 247 CO 0.29 -0.18 0.42 0.36 -0.85 0.00 0.00 174.74 174.78 1x29 n LYS 248 N -1.53 0.71 -4.64 1.40 0.00 -1.26 -4.88 118.16 107.97 1x29 n LYS 248 Ca 0.03 0.26 -0.22 0.00 -0.00 0.00 0.00 58.31 58.37 1x29 n LYS 248 Cb 0.54 -1.72 -0.15 0.00 -0.00 0.00 0.00 35.03 33.70 1x29 n LYS 248 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1x29 s GLU 249 N -2.57 1.16 -0.02 -1.58 2.02 -1.26 -2.47 118.70 113.97 1x29 s GLU 249 Ca -0.17 -0.49 -0.29 0.00 0.02 0.00 0.00 54.97 54.04 1x29 s GLU 249 Cb 0.07 -1.11 0.10 0.00 0.10 0.00 0.00 34.13 33.30 1x29 s GLU 249 CO 0.78 0.29 0.90 -0.48 0.02 0.00 0.00 175.26 176.76 1x29 s LEU 250 N -0.28 -0.37 -0.03 1.80 0.05 -0.87 -4.41 118.68 114.57 1x29 s LEU 250 Ca 0.04 0.05 0.04 0.00 0.05 0.00 0.00 54.13 54.32 1x29 s LEU 250 Cb -0.06 2.01 -0.01 0.00 -2.05 0.00 0.00 46.19 46.09 1x29 s LEU 250 CO -0.00 -0.59 -0.16 -0.63 -0.55 0.00 0.00 176.35 174.42 1x29 s ILE 251 N -2.88 1.29 -0.10 1.48 1.01 -0.47 -1.07 121.20 120.47 1x29 s ILE 251 Ca 0.04 -0.67 -0.00 0.00 0.00 0.00 0.00 60.65 60.02 1x29 s ILE 251 Cb -0.01 -1.09 0.02 0.00 0.01 0.00 0.00 42.46 41.39 1x29 s ILE 251 CO -0.08 0.37 -0.07 0.54 0.00 0.00 0.00 174.94 175.70 1x29 s VAL 252 N -0.16 0.92 -0.33 2.92 0.11 -0.59 -0.42 120.40 122.85 1x29 s VAL 252 Ca 0.01 -0.25 -0.09 0.00 -2.93 0.00 0.00 61.98 58.72 1x29 s VAL 252 Cb -0.09 -0.94 0.01 0.00 -1.53 0.00 0.00 36.38 33.84 1x29 s VAL 252 CO 0.01 0.34 0.15 0.00 -3.33 0.00 0.00 175.10 172.27 1x29 s ALA 253 N 1.54 3.21 0.34 1.54 0.00 0.73 -0.50 121.76 128.63 1x29 s ALA 253 Ca 0.01 -1.55 0.09 0.00 0.00 0.00 0.00 51.96 50.51 1x29 s ALA 253 Cb -0.13 -2.40 -0.05 0.00 0.00 0.00 0.00 23.12 20.54 1x29 s ALA 253 CO -0.06 -1.12 0.06 -1.54 0.00 0.00 0.00 175.76 173.10 1x29 s SER 254 N 1.55 4.34 0.04 0.00 1.04 -0.08 -0.70 113.70 119.89 1x29 s SER 254 Ca 0.03 -0.92 0.03 0.00 0.48 0.00 0.00 55.95 55.56 1x29 s SER 254 Cb -0.18 -0.60 -0.02 0.00 0.10 0.00 0.00 66.02 65.32 1x29 s SER 254 CO 0.05 -0.26 -0.09 -0.55 0.98 0.00 0.00 173.24 173.37 1x29 s SER 255 N -3.76 1.02 0.00 7.02 0.15 -0.73 -1.89 113.70 115.50 1x29 s SER 255 Ca 0.36 -0.46 0.07 0.00 0.70 0.00 0.00 55.95 56.62 1x29 s SER 255 Cb -0.01 -0.01 0.10 0.00 -1.71 0.00 0.00 66.02 64.39 1x29 s SER 255 CO 0.20 -0.11 0.87 -1.22 1.20 0.00 0.00 173.24 174.18 1x29 n TYR 256 N 1.77 0.10 -0.07 3.44 4.01 -0.35 -4.71 117.16 121.34 1x29 n TYR 256 Ca -0.20 -0.16 -0.07 0.00 -0.16 0.00 0.00 57.90 57.32 1x29 n TYR 256 Cb 0.55 -0.01 -0.00 0.00 -0.31 0.00 0.00 39.34 39.57 1x29 n TYR 256 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1x29 h SER 257 N 1.41 -0.54 0.00 7.72 0.02 -1.85 -2.86 113.55 117.45 1x29 h SER 257 Ca 0.00 0.12 -0.06 0.00 -0.84 0.00 0.00 61.79 61.01 1x29 h SER 257 Cb 0.41 0.29 -0.01 0.00 0.14 0.00 0.00 62.40 63.23 1x29 h SER 257 CO 0.00 -0.20 -0.38 0.11 -1.14 0.00 0.00 176.83 175.22 1x29 h LYS 258 N -0.12 0.00 0.00 3.45 6.56 -1.84 -0.04 116.57 124.58 1x29 h LYS 258 Ca 0.16 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.75 1x29 h LYS 258 Cb 0.36 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.02 1x29 h LYS 258 CO -0.38 0.66 0.00 0.27 -2.06 0.00 0.00 179.45 177.94 1x29 n ASN 259 N -4.60 0.00 0.00 0.86 2.04 -1.25 -1.74 115.26 110.56 1x29 n ASN 259 Ca -0.13 0.42 0.00 0.00 -0.44 0.00 0.00 54.58 54.43 1x29 n ASN 259 Cb 0.40 -0.44 0.00 0.00 -2.53 0.00 0.00 39.78 37.21 1x29 n ASN 259 CO 0.00 0.00 0.00 0.49 -0.44 0.00 0.00 177.26 177.31 1x29 n PHE 260 N -1.44 0.00 -3.26 -2.53 3.72 -1.08 -4.83 117.46 108.03 1x29 n PHE 260 Ca 0.02 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.19 1x29 n PHE 260 Cb 0.07 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.67 1x29 n PHE 260 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1x29 n GLY 261 N 0.52 -0.53 1.66 1.37 0.00 -0.71 -4.65 105.19 102.85 1x29 n GLY 261 Ca 0.00 0.18 -0.16 0.00 0.00 0.00 0.00 46.02 46.04 1x29 n GLY 261 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x29 n LEU 262 N -4.43 5.18 -0.17 0.99 4.77 -0.10 -4.81 117.00 118.42 1x29 n LEU 262 Ca -0.06 -4.08 -0.05 0.00 -0.03 0.00 0.00 56.01 51.80 1x29 n LEU 262 Cb 0.60 -0.65 -0.04 0.00 -2.33 0.00 0.00 43.42 40.99 1x29 n LEU 262 CO 0.55 1.47 0.38 -1.22 -1.33 0.00 0.00 177.39 177.24 1x29 n TYR 263 N -1.00 -0.18 1.28 -1.77 4.01 -1.17 -1.36 117.16 116.96 1x29 n TYR 263 Ca 0.43 0.52 0.11 0.00 -0.16 0.00 0.00 57.90 58.81 1x29 n TYR 263 Cb 1.02 -0.48 0.64 0.00 -0.31 0.00 0.00 39.34 40.20 1x29 n TYR 263 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1x29 n ASN 264 N -3.95 0.00 -0.22 7.72 0.23 -1.26 -2.84 115.26 114.95 1x29 n ASN 264 Ca 0.01 -0.41 0.12 0.00 -0.53 0.00 0.00 54.58 53.77 1x29 n ASN 264 Cb 0.11 -0.13 0.29 0.00 -2.08 0.00 0.00 39.78 37.97 1x29 n ASN 264 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1x29 n GLU 265 N -1.13 0.68 -3.22 -3.83 -0.58 -0.47 -5.01 120.64 107.09 1x29 n GLU 265 Ca 0.14 -0.43 -0.14 0.00 -0.42 0.00 0.00 57.16 56.31 1x29 n GLU 265 Cb 0.13 -1.49 0.01 0.00 -0.57 0.00 0.00 31.44 29.52 1x29 n GLU 265 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1x29 n ARG 266 N -0.78 -1.81 -4.01 3.49 5.12 -1.13 -4.46 116.66 113.08 1x29 n ARG 266 Ca 0.10 1.54 -0.33 0.00 -1.93 0.00 0.00 57.85 57.23 1x29 n ARG 266 Cb 0.36 -4.39 -0.15 0.00 -1.16 0.00 0.00 32.46 27.12 1x29 n ARG 266 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1x29 s VAL 267 N -2.59 2.53 0.13 1.55 1.01 -1.26 -2.53 120.40 119.22 1x29 s VAL 267 Ca 0.15 -1.34 0.00 0.00 0.00 0.00 0.00 61.98 60.79 1x29 s VAL 267 Cb -0.03 -2.38 -0.00 0.00 0.00 0.00 0.00 36.38 33.97 1x29 s VAL 267 CO 0.81 0.08 0.16 0.61 0.00 0.00 0.00 175.10 176.76 1x29 n GLY 268 N 4.56 3.00 3.51 4.51 0.00 0.01 -1.21 105.19 119.57 1x29 n GLY 268 Ca -0.15 -1.54 -0.16 0.00 0.00 0.00 0.00 46.02 44.17 1x29 n GLY 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x29 s ALA 269 N -2.14 -1.63 -0.22 4.61 0.00 -0.80 -1.54 121.76 120.05 1x29 s ALA 269 Ca 0.12 1.45 0.02 0.00 0.00 0.00 0.00 51.96 53.54 1x29 s ALA 269 Cb -0.00 -0.43 0.04 0.00 0.00 0.00 0.00 23.12 22.73 1x29 s ALA 269 CO 0.08 -0.34 -0.13 0.00 0.00 0.00 0.00 175.76 175.38 1x29 s THR 271 N 1.27 4.17 -0.16 0.00 2.01 0.34 -1.28 115.64 121.99 1x29 s THR 271 Ca -0.03 -0.24 -0.07 0.00 0.31 0.00 0.00 61.69 61.66 1x29 s THR 271 Cb -0.17 -2.89 -0.04 0.00 0.01 0.00 0.00 72.50 69.41 1x29 s THR 271 CO -0.08 0.43 0.09 -0.22 -0.69 0.00 0.00 174.62 174.15 1x29 s LEU 272 N 0.88 4.05 -0.09 4.42 0.20 0.68 -1.54 118.68 127.28 1x29 s LEU 272 Ca 0.02 0.23 0.02 0.00 0.69 0.00 0.00 54.13 55.10 1x29 s LEU 272 Cb -0.14 -2.01 0.01 0.00 -0.43 0.00 0.00 46.19 43.62 1x29 s LEU 272 CO 0.02 0.26 -0.16 -0.69 -0.29 0.00 0.00 176.35 175.50 1x29 s VAL 273 N -0.16 1.47 0.46 1.68 1.01 -0.23 -1.27 120.40 123.36 1x29 s VAL 273 Ca 0.09 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.43 1x29 s VAL 273 Cb -0.12 -1.33 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 1x29 s VAL 273 CO 0.01 0.43 0.05 0.00 0.00 0.00 0.00 175.10 175.59 1x29 s ALA 274 N 0.71 3.58 0.19 5.51 0.00 -0.97 -2.06 121.76 128.73 1x29 s ALA 274 Ca -0.13 -0.86 -0.09 0.00 0.00 0.00 0.00 51.96 50.88 1x29 s ALA 274 Cb -0.16 0.31 0.10 0.00 0.00 0.00 0.00 23.12 23.38 1x29 s ALA 274 CO 0.03 -0.15 1.70 0.00 0.00 0.00 0.00 175.76 177.34 1x29 h ALA 275 N 1.56 0.91 -2.76 0.00 0.00 -1.81 -3.43 119.26 113.72 1x29 h ALA 275 Ca -0.41 -0.26 -0.32 0.00 0.00 0.00 0.00 54.91 53.92 1x29 h ALA 275 Cb 1.29 -0.26 -0.13 0.00 0.00 0.00 0.00 17.79 18.69 1x29 h ALA 275 CO 0.68 0.65 -0.49 0.16 0.00 0.00 0.00 179.25 180.25 1x29 s ASP 276 N -6.45 0.81 0.42 0.00 1.47 -1.26 -4.98 116.67 106.68 1x29 s ASP 276 Ca -0.12 -1.52 0.13 0.00 1.18 0.00 0.00 52.55 52.22 1x29 s ASP 276 Cb 0.14 0.49 0.91 0.00 -0.34 0.00 0.00 42.92 44.12 1x29 s ASP 276 CO 0.85 -0.99 1.96 -1.28 0.68 0.00 0.00 175.17 176.38 1x29 h SER 277 N 2.35 0.08 -0.11 2.11 0.87 -1.76 -2.55 113.55 114.54 1x29 h SER 277 Ca -0.30 -0.02 -0.17 0.00 -1.23 0.00 0.00 61.79 60.07 1x29 h SER 277 Cb 1.24 -0.02 0.01 0.00 -0.44 0.00 0.00 62.40 63.19 1x29 h SER 277 CO 0.44 0.26 -0.61 -0.08 -0.53 0.00 0.00 176.83 176.31 1x29 h GLU 278 N 0.08 0.61 -0.51 2.24 4.22 -1.96 -2.96 114.58 116.30 1x29 h GLU 278 Ca 0.02 -0.50 -0.12 0.00 0.08 0.00 0.00 59.36 58.83 1x29 h GLU 278 Cb 0.36 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1x29 h GLU 278 CO 0.02 1.13 -0.17 1.15 -2.18 0.00 0.00 179.01 178.97 1x29 h THR 279 N 0.24 1.27 -0.35 0.32 2.02 -1.95 -2.36 112.91 112.10 1x29 h THR 279 Ca -0.04 -1.33 -0.08 0.00 0.77 0.00 0.00 66.41 65.73 1x29 h THR 279 Cb 1.25 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 68.71 1x29 h THR 279 CO 0.13 0.46 -0.08 1.62 0.37 0.00 0.00 175.52 178.02 1x29 h VAL 280 N 0.88 1.28 -0.65 3.16 3.04 -1.54 -0.96 116.25 121.46 1x29 h VAL 280 Ca 0.12 -1.14 -0.04 0.00 -1.01 0.00 0.00 66.70 64.63 1x29 h VAL 280 Cb 0.74 1.31 -0.03 0.00 -2.01 0.00 0.00 31.29 31.30 1x29 h VAL 280 CO 0.06 0.37 0.23 0.44 -1.01 0.00 0.00 177.57 177.66 1x29 h ASP 281 N 0.45 0.89 -0.16 3.17 5.19 -1.53 0.60 116.42 125.04 1x29 h ASP 281 Ca 0.09 -0.14 -0.02 0.00 -0.62 0.00 0.00 57.03 56.34 1x29 h ASP 281 Cb 0.58 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.86 1x29 h ASP 281 CO 0.03 0.82 0.01 -0.09 -3.12 0.00 0.00 179.24 176.89 1x29 h ARG 282 N 0.94 0.27 -0.49 3.56 2.43 -1.27 -2.33 114.38 117.49 1x29 h ARG 282 Ca 0.22 -0.08 -0.10 0.00 -0.81 0.00 0.00 59.98 59.21 1x29 h ARG 282 Cb 0.23 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 1x29 h ARG 282 CO -0.01 0.48 -0.07 0.00 -1.51 0.00 0.00 179.97 178.86 1x29 h ALA 283 N 0.78 0.67 0.00 2.80 0.00 -0.84 -2.87 119.26 119.80 1x29 h ALA 283 Ca 0.05 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1x29 h ALA 283 Cb 0.35 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1x29 h ALA 283 CO 0.01 0.54 -0.03 0.35 0.00 0.00 0.00 179.25 180.12 1x29 h PHE 284 N 0.77 0.00 -0.04 0.00 3.57 0.29 -1.19 116.94 120.35 1x29 h PHE 284 Ca 0.13 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.56 1x29 h PHE 284 Cb 0.61 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 1x29 h PHE 284 CO 0.04 0.03 -0.30 0.66 -2.23 0.00 0.00 178.31 176.51 1x29 h SER 285 N 0.00 0.07 0.99 0.41 4.64 -1.18 -0.63 113.55 117.85 1x29 h SER 285 Ca -0.00 -0.02 -0.20 0.00 -0.47 0.00 0.00 61.79 61.10 1x29 h SER 285 Cb 0.07 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.11 1x29 h SER 285 CO 0.00 0.37 -0.93 1.56 -0.87 0.00 0.00 176.83 176.96 1x29 h GLN 286 N 0.06 0.00 -0.48 4.77 1.08 -1.32 -2.63 115.11 116.59 1x29 h GLN 286 Ca 0.01 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.10 1x29 h GLN 286 Cb 0.57 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.99 1x29 h GLN 286 CO 0.04 0.93 -0.13 1.98 -0.95 0.00 0.00 178.83 180.70 1x29 h MET 287 N 0.00 0.94 -0.31 1.46 4.05 -1.02 -0.06 114.93 119.99 1x29 h MET 287 Ca -0.01 -0.37 -0.04 0.00 -0.28 0.00 0.00 59.70 59.00 1x29 h MET 287 Cb 1.68 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 32.42 1x29 h MET 287 CO 0.12 1.03 0.02 0.87 0.23 0.00 0.00 176.91 179.18 1x29 h LYS 288 N 0.79 0.46 -0.48 0.39 1.57 -1.13 -1.16 116.57 117.01 1x29 h LYS 288 Ca 0.12 -0.09 -0.11 0.00 -1.87 0.00 0.00 60.65 58.71 1x29 h LYS 288 Cb 0.69 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 1x29 h LYS 288 CO 0.05 0.48 -0.12 0.00 -0.57 0.00 0.00 179.45 179.29 1x29 h ALA 289 N 1.58 0.66 -0.95 3.86 0.00 -1.01 0.50 119.26 123.90 1x29 h ALA 289 Ca 0.10 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1x29 h ALA 289 Cb 0.27 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 1x29 h ALA 289 CO 0.01 0.57 0.57 0.00 0.00 0.00 0.00 179.25 180.39 1x29 h ALA 290 N 0.88 1.21 -0.14 0.00 0.00 -0.28 -2.42 119.26 118.51 1x29 h ALA 290 Ca 0.12 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1x29 h ALA 290 Cb 0.67 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1x29 h ALA 290 CO 0.05 0.66 -0.08 0.82 0.00 0.00 0.00 179.25 180.70 1x29 h ILE 291 N 1.30 1.32 -0.93 0.00 2.04 -0.95 -3.06 117.51 117.23 1x29 h ILE 291 Ca 0.34 -1.14 0.15 0.00 1.00 0.00 0.00 64.86 65.21 1x29 h ILE 291 Cb -0.06 1.77 -0.08 0.00 -0.74 0.00 0.00 36.82 37.71 1x29 h ILE 291 CO -0.06 0.33 0.59 -0.09 0.00 0.00 0.00 178.15 178.92 1x29 h ARG 292 N -0.04 0.72 -0.08 2.37 9.65 -0.69 0.12 114.38 126.43 1x29 h ARG 292 Ca 0.03 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 1x29 h ARG 292 Cb 0.56 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 28.97 1x29 h ARG 292 CO 0.02 0.48 0.00 0.00 2.80 0.00 0.00 179.97 183.27 1x29 n ALA 293 N -2.41 2.57 -0.40 2.80 0.00 -0.93 -3.37 120.51 118.77 1x29 n ALA 293 Ca 0.19 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1x29 n ALA 293 Cb 0.48 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.73 1x29 n ALA 293 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1x29 n ASN 294 N -0.23 0.00 -0.07 0.00 2.85 0.35 -4.92 115.26 113.24 1x29 n ASN 294 Ca 0.15 0.00 0.02 0.00 -0.11 0.00 0.00 54.58 54.65 1x29 n ASN 294 Cb 0.20 -0.17 0.03 0.00 1.24 0.00 0.00 39.78 41.08 1x29 n ASN 294 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1x29 n TYR 295 N -2.02 0.00 0.00 1.20 0.18 -0.83 -5.05 117.16 110.64 1x29 n TYR 295 Ca 0.00 -0.44 0.00 0.00 1.88 0.00 0.00 57.90 59.34 1x29 n TYR 295 Cb 0.00 -0.06 0.00 0.00 -0.38 0.00 0.00 39.34 38.90 1x29 n TYR 295 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1x29 n SER 296 N -0.53 0.00 -3.70 9.48 2.88 -0.95 -4.66 113.62 116.14 1x29 n SER 296 Ca 0.03 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.44 1x29 n SER 296 Cb 0.44 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.82 1x29 n SER 296 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1x29 s ASN 297 N 0.00 -0.24 0.54 -3.46 2.20 -1.26 -4.22 114.94 108.50 1x29 s ASN 297 Ca 0.00 0.03 -0.19 0.00 -0.94 0.00 0.00 52.86 51.76 1x29 s ASN 297 Cb 0.00 0.38 -0.06 0.00 -2.00 0.00 0.00 41.25 39.57 1x29 s ASN 297 CO 0.00 -0.59 1.07 -2.16 -2.94 0.00 0.00 177.10 172.48 1x29 s PRO 298 N -2.07 3.51 0.14 3.55 0.04 -1.26 -5.03 135.00 133.88 1x29 s PRO 298 Ca -0.08 1.38 -0.31 0.00 0.04 0.00 0.00 61.00 62.03 1x29 s PRO 298 Cb -0.02 -2.05 -0.09 0.00 0.04 0.00 0.00 34.50 32.38 1x29 s PRO 298 CO 0.00 -0.67 1.44 -1.25 0.04 0.00 0.00 177.00 176.55 1x29 s PRO 299 N -3.51 4.29 0.06 0.56 0.04 -1.26 -4.80 135.00 130.38 1x29 s PRO 299 Ca 0.68 2.16 -0.09 0.00 0.04 0.00 0.00 61.00 63.79 1x29 s PRO 299 Cb -0.18 -3.21 -0.30 0.00 0.04 0.00 0.00 34.50 30.85 1x29 s PRO 299 CO 0.27 -0.47 1.10 0.00 0.04 0.00 0.00 177.00 177.94 1x29 h ALA 300 N 6.62 0.02 -0.32 8.56 0.00 -1.95 -3.39 119.26 128.80 1x29 h ALA 300 Ca -0.43 -0.86 0.07 0.00 0.00 0.00 0.00 54.91 53.70 1x29 h ALA 300 Cb 1.21 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.99 1x29 h ALA 300 CO 0.87 0.85 -0.26 1.25 0.00 0.00 0.00 179.25 181.95 1x29 h HIS 301 N 0.12 -0.70 -0.00 0.00 -0.00 -1.93 0.12 115.15 112.77 1x29 h HIS 301 Ca -0.18 0.05 -0.00 0.00 -0.00 0.00 0.00 60.37 60.24 1x29 h HIS 301 Cb 2.01 0.36 -0.00 0.00 -0.00 0.00 0.00 27.41 29.78 1x29 h HIS 301 CO 0.09 -0.34 0.00 0.78 -0.00 0.00 0.00 177.93 178.46 1x29 h GLY 302 N -0.23 0.00 1.11 5.26 0.00 -1.78 -2.27 103.07 105.16 1x29 h GLY 302 Ca 0.16 -0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.50 1x29 h GLY 302 CO -0.45 0.00 0.59 0.00 0.00 0.00 0.00 176.54 176.68 1x29 h ALA 303 N 0.72 1.37 -0.20 3.60 0.00 -1.72 -2.10 119.26 120.92 1x29 h ALA 303 Ca 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1x29 h ALA 303 Cb 0.28 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1x29 h ALA 303 CO 0.00 0.58 0.10 0.77 0.00 0.00 0.00 179.25 180.70 1x29 h SER 304 N 1.20 0.26 -0.42 0.00 0.02 -0.69 -0.69 113.55 113.24 1x29 h SER 304 Ca 0.33 -0.11 0.07 0.00 -0.84 0.00 0.00 61.79 61.25 1x29 h SER 304 Cb -0.12 -0.07 -0.06 0.00 0.14 0.00 0.00 62.40 62.29 1x29 h SER 304 CO -0.08 0.29 0.03 0.58 -1.14 0.00 0.00 176.83 176.52 1x29 h VAL 305 N 0.21 0.72 -0.41 2.27 2.07 -0.87 -1.44 116.25 118.79 1x29 h VAL 305 Ca 0.07 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 1x29 h VAL 305 Cb 0.10 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1x29 h VAL 305 CO -0.01 0.03 0.25 0.58 0.02 0.00 0.00 177.57 178.44 1x29 h VAL 306 N 0.15 1.13 0.16 2.57 2.07 -1.12 -2.12 116.25 119.08 1x29 h VAL 306 Ca 0.21 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1x29 h VAL 306 Cb 0.28 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1x29 h VAL 306 CO -0.32 0.13 -0.14 0.00 0.02 0.00 0.00 177.57 177.26 1x29 h ALA 307 N 1.11 -0.29 -0.10 1.67 0.00 -0.60 -0.55 119.26 120.49 1x29 h ALA 307 Ca 0.15 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1x29 h ALA 307 Cb -0.00 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1x29 h ALA 307 CO -0.03 -0.68 -0.09 0.00 0.00 0.00 0.00 179.25 178.45 1x29 h THR 308 N -0.32 1.13 -0.07 0.00 1.03 -1.19 0.63 112.91 114.10 1x29 h THR 308 Ca 0.00 -0.55 -0.08 0.00 -0.01 0.00 0.00 66.41 65.77 1x29 h THR 308 Cb 0.30 1.15 0.00 0.00 -1.07 0.00 0.00 68.15 68.53 1x29 h THR 308 CO -0.03 0.17 -0.27 0.40 -0.01 0.00 0.00 175.52 175.78 1x29 h ILE 309 N 0.15 1.42 0.00 0.00 2.04 -1.07 -1.83 117.51 118.23 1x29 h ILE 309 Ca 0.03 -1.65 -0.03 0.00 1.00 0.00 0.00 64.86 64.21 1x29 h ILE 309 Cb 0.25 2.28 -0.00 0.00 -0.74 0.00 0.00 36.82 38.61 1x29 h ILE 309 CO 0.01 0.47 -0.15 -0.07 0.00 0.00 0.00 178.15 178.41 1x29 h LEU 310 N -0.18 0.00 0.00 1.44 4.07 -0.83 -2.81 115.31 117.00 1x29 h LEU 310 Ca -0.01 0.00 -0.26 0.00 0.08 0.00 0.00 57.88 57.69 1x29 h LEU 310 Cb 0.90 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.60 1x29 h LEU 310 CO 0.06 0.15 -1.42 0.28 -1.08 0.00 0.00 178.44 176.43 1x29 h SER 311 N 0.00 0.01 -3.50 -0.43 0.02 -0.83 -3.45 113.55 105.37 1x29 h SER 311 Ca -0.00 -0.02 -0.60 0.00 -0.84 0.00 0.00 61.79 60.33 1x29 h SER 311 Cb 0.51 -0.00 -0.12 0.00 0.14 0.00 0.00 62.40 62.93 1x29 h SER 311 CO 0.02 1.01 -0.22 0.21 -1.14 0.00 0.00 176.83 176.71 1x29 s ASN 312 N -6.36 6.41 0.16 3.07 2.47 -0.69 -4.98 114.94 115.01 1x29 s ASN 312 Ca -0.03 0.48 -0.11 0.00 0.42 0.00 0.00 52.86 53.62 1x29 s ASN 312 Cb 0.09 -2.22 0.03 0.00 -1.45 0.00 0.00 41.25 37.69 1x29 s ASN 312 CO 0.82 -0.07 1.60 0.44 -3.72 0.00 0.00 177.10 176.17 1x29 h ASP 313 N 7.42 0.93 -0.81 -4.21 3.32 -1.87 0.58 116.42 121.78 1x29 h ASP 313 Ca -0.36 -0.32 -0.04 0.00 0.02 0.00 0.00 57.03 56.33 1x29 h ASP 313 Cb 1.16 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 40.42 1x29 h ASP 313 CO 0.71 1.03 0.36 0.00 -1.72 0.00 0.00 179.24 179.62 1x29 h ALA 314 N 0.93 1.10 -0.03 3.45 0.00 -1.94 0.76 119.26 123.54 1x29 h ALA 314 Ca 0.14 -0.18 -0.25 0.00 0.00 0.00 0.00 54.91 54.63 1x29 h ALA 314 Cb 0.57 -0.32 0.02 0.00 0.00 0.00 0.00 17.79 18.06 1x29 h ALA 314 CO 0.03 0.66 -0.95 1.25 0.00 0.00 0.00 179.25 180.24 1x29 h LEU 315 N 1.17 0.89 -0.22 0.00 5.85 -1.79 -3.13 115.31 118.08 1x29 h LEU 315 Ca 0.28 -0.72 0.03 0.00 0.84 0.00 0.00 57.88 58.31 1x29 h LEU 315 Cb 0.16 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 1x29 h LEU 315 CO -0.03 1.49 0.04 -0.09 -0.34 0.00 0.00 178.44 179.50 1x29 h ARG 316 N 0.37 0.12 -0.82 1.25 9.65 0.56 -1.67 114.38 123.85 1x29 h ARG 316 Ca -0.11 -0.01 0.08 0.00 -1.10 0.00 0.00 59.98 58.84 1x29 h ARG 316 Cb 1.61 -0.03 -0.07 0.00 -1.39 0.00 0.00 29.97 30.09 1x29 h ARG 316 CO 0.19 0.08 0.48 0.00 2.80 0.00 0.00 179.97 183.52 1x29 h ALA 317 N 1.17 1.15 0.32 2.80 0.00 -0.91 -0.70 119.26 123.08 1x29 h ALA 317 Ca 0.10 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1x29 h ALA 317 Cb 0.10 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1x29 h ALA 317 CO -0.14 0.14 -0.16 0.82 0.00 0.00 0.00 179.25 179.92 1x29 h ILE 318 N 0.83 0.70 -0.32 0.00 2.04 -1.38 -2.51 117.51 116.86 1x29 h ILE 318 Ca 0.38 -0.15 0.07 0.00 1.00 0.00 0.00 64.86 66.15 1x29 h ILE 318 Cb 0.29 0.78 -0.06 0.00 -0.74 0.00 0.00 36.82 37.09 1x29 h ILE 318 CO -0.22 0.03 -0.09 -0.25 0.00 0.00 0.00 178.15 177.62 1x29 h TRP 319 N -0.51 -0.21 -0.56 1.37 7.01 -0.80 -0.90 115.95 121.34 1x29 h TRP 319 Ca -0.04 0.03 0.05 0.00 2.11 0.00 0.00 58.89 61.04 1x29 h TRP 319 Cb 0.39 0.14 -0.03 0.00 -2.10 0.00 0.00 29.16 27.55 1x29 h TRP 319 CO -0.03 -0.16 0.37 0.93 -2.79 0.00 0.00 178.44 176.77 1x29 h GLU 320 N -0.02 0.56 -0.28 2.65 5.08 -1.09 0.77 114.58 122.25 1x29 h GLU 320 Ca 0.16 -0.03 -0.17 0.00 -1.00 0.00 0.00 59.36 58.31 1x29 h GLU 320 Cb 0.26 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 1x29 h GLU 320 CO -0.34 0.37 -0.49 0.37 -1.00 0.00 0.00 179.01 177.92 1x29 h GLN 321 N 0.58 0.78 -0.69 2.33 5.75 -0.84 -1.98 115.11 121.04 1x29 h GLN 321 Ca 0.24 -0.46 -0.07 0.00 -0.15 0.00 0.00 58.65 58.21 1x29 h GLN 321 Cb 0.21 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.77 1x29 h GLN 321 CO -0.07 1.09 0.17 0.93 -2.65 0.00 0.00 178.83 178.30 1x29 h GLU 322 N 0.61 1.09 -0.58 1.69 5.08 0.20 -1.29 114.58 121.38 1x29 h GLU 322 Ca 0.03 -0.25 -0.11 0.00 -1.00 0.00 0.00 59.36 58.03 1x29 h GLU 322 Cb 1.07 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 1x29 h GLU 322 CO 0.11 0.96 -0.06 1.25 -1.00 0.00 0.00 179.01 180.26 1x29 h LEU 323 N 1.03 1.05 -0.68 1.33 5.85 -0.83 -2.05 115.31 121.01 1x29 h LEU 323 Ca 0.22 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 1x29 h LEU 323 Cb 0.36 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1x29 h LEU 323 CO 0.00 1.12 0.39 0.74 -0.34 0.00 0.00 178.44 180.35 1x29 h THR 324 N 0.95 1.21 -0.56 1.05 2.02 -0.98 -0.84 112.91 115.74 1x29 h THR 324 Ca 0.16 -0.49 -0.04 0.00 0.77 0.00 0.00 66.41 66.80 1x29 h THR 324 Cb 0.63 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 1x29 h THR 324 CO 0.04 0.22 0.18 0.44 0.37 0.00 0.00 175.52 176.77 1x29 h ASP 325 N 0.92 0.78 -0.30 4.18 3.32 -1.00 -0.18 116.42 124.14 1x29 h ASP 325 Ca 0.24 -0.12 -0.07 0.00 0.02 0.00 0.00 57.03 57.10 1x29 h ASP 325 Cb 0.01 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 1x29 h ASP 325 CO -0.04 0.74 -0.07 0.24 -1.72 0.00 0.00 179.24 178.39 1x29 h MET 326 N 0.82 0.57 -0.53 3.56 2.86 -0.82 -0.14 114.93 121.26 1x29 h MET 326 Ca 0.19 -0.22 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 1x29 h MET 326 Cb 0.24 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 1x29 h MET 326 CO -0.01 0.77 0.24 -0.09 1.06 0.00 0.00 176.91 178.88 1x29 h ARG 327 N 0.34 0.77 -0.24 1.72 2.43 -0.83 -2.42 114.38 116.15 1x29 h ARG 327 Ca 0.08 -0.12 -0.13 0.00 -0.81 0.00 0.00 59.98 59.00 1x29 h ARG 327 Cb 0.55 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 1x29 h ARG 327 CO 0.03 0.65 -0.39 1.96 -1.51 0.00 0.00 179.97 180.71 1x29 h GLN 328 N 0.71 0.55 -0.37 0.20 4.20 -0.95 -2.49 115.11 116.96 1x29 h GLN 328 Ca 0.18 -0.27 -0.09 0.00 0.06 0.00 0.00 58.65 58.52 1x29 h GLN 328 Cb 0.14 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 1x29 h GLN 328 CO -0.02 0.85 -0.16 -0.09 -0.67 0.00 0.00 178.83 178.74 1x29 h ARG 329 N 0.46 0.68 -0.61 1.46 2.43 -0.86 -1.68 114.38 116.25 1x29 h ARG 329 Ca 0.04 -0.24 -0.09 0.00 -0.81 0.00 0.00 59.98 58.89 1x29 h ARG 329 Cb 0.88 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.36 1x29 h ARG 329 CO 0.08 0.81 0.03 0.82 -1.51 0.00 0.00 179.97 180.19 1x29 h ILE 330 N 0.61 1.26 -0.67 1.20 2.04 -1.30 -1.88 117.51 118.77 1x29 h ILE 330 Ca 0.10 -1.11 -0.07 0.00 1.00 0.00 0.00 64.86 64.78 1x29 h ILE 330 Cb 0.62 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 1x29 h ILE 330 CO 0.04 0.41 0.13 1.56 0.00 0.00 0.00 178.15 180.28 1x29 h GLN 331 N 0.97 1.10 -0.13 2.37 4.20 -1.10 -1.15 115.11 121.36 1x29 h GLN 331 Ca 0.18 -0.28 -0.07 0.00 0.06 0.00 0.00 58.65 58.53 1x29 h GLN 331 Cb 0.51 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 1x29 h GLN 331 CO 0.02 1.00 -0.25 0.00 -0.67 0.00 0.00 178.83 178.93 1x29 h ARG 332 N 1.02 0.24 -0.03 1.46 3.08 -1.10 -2.35 114.38 116.70 1x29 h ARG 332 Ca 0.21 -0.08 -0.20 0.00 0.07 0.00 0.00 59.98 59.98 1x29 h ARG 332 Cb 0.42 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 1x29 h ARG 332 CO 0.01 0.48 -0.84 0.52 -1.07 0.00 0.00 179.97 179.06 1x29 h MET 333 N 0.22 0.34 -0.60 0.04 2.86 -1.00 -1.75 114.93 115.03 1x29 h MET 333 Ca 0.04 -0.33 -0.01 0.00 -2.06 0.00 0.00 59.70 57.33 1x29 h MET 333 Cb 0.56 0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.28 1x29 h MET 333 CO 0.04 1.01 0.34 -0.09 1.06 0.00 0.00 176.91 179.27 1x29 h ARG 334 N 0.21 0.83 -0.13 1.72 2.43 -0.81 0.33 114.38 118.96 1x29 h ARG 334 Ca -0.05 -0.09 -0.05 0.00 -0.81 0.00 0.00 59.98 58.98 1x29 h ARG 334 Cb 1.45 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 30.83 1x29 h ARG 334 CO 0.14 0.62 -0.13 0.37 -1.51 0.00 0.00 179.97 179.47 1x29 h GLN 335 N 0.81 0.32 -0.89 0.20 5.75 -1.43 -2.74 115.11 117.13 1x29 h GLN 335 Ca 0.21 -0.17 0.06 0.00 -0.15 0.00 0.00 58.65 58.60 1x29 h GLN 335 Cb 0.02 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 28.52 1x29 h GLN 335 CO -0.04 0.71 0.56 1.25 -2.65 0.00 0.00 178.83 178.66 1x29 h LEU 336 N -0.06 0.90 0.23 -2.39 5.85 -1.07 -1.45 115.31 117.33 1x29 h LEU 336 Ca 0.02 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1x29 h LEU 336 Cb 0.65 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1x29 h LEU 336 CO 0.03 0.58 -0.15 0.15 -0.34 0.00 0.00 178.44 178.71 1x29 h PHE 337 N 1.04 -0.40 -0.51 1.25 3.57 -0.30 0.73 116.94 122.32 1x29 h PHE 337 Ca 0.38 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.87 1x29 h PHE 337 Cb 0.14 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 1x29 h PHE 337 CO -0.02 -0.24 0.28 0.28 -2.23 0.00 0.00 178.31 176.37 1x29 h VAL 338 N -0.38 1.18 -0.68 1.41 2.07 -1.20 -1.75 116.25 116.89 1x29 h VAL 338 Ca -0.02 -0.46 -0.06 0.00 0.82 0.00 0.00 66.70 66.99 1x29 h VAL 338 Cb 0.32 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 1x29 h VAL 338 CO 0.01 0.19 0.21 0.78 0.02 0.00 0.00 177.57 178.78 1x29 h ASN 339 N 0.68 1.00 -0.37 0.57 2.35 -1.14 -3.02 115.58 115.65 1x29 h ASN 339 Ca 0.18 -0.21 -0.10 0.00 -0.55 0.00 0.00 56.30 55.62 1x29 h ASN 339 Cb 0.06 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.15 1x29 h ASN 339 CO -0.03 0.95 -0.12 0.74 -1.65 0.00 0.00 177.43 177.32 1x29 h THR 340 N 1.00 1.26 -0.82 2.81 2.02 -0.63 -2.78 112.91 115.78 1x29 h THR 340 Ca 0.22 -1.21 0.05 0.00 0.77 0.00 0.00 66.41 66.24 1x29 h THR 340 Cb 0.31 1.05 -0.06 0.00 -1.74 0.00 0.00 68.15 67.71 1x29 h THR 340 CO -0.01 0.41 0.51 -0.07 0.37 0.00 0.00 175.52 176.74 1x29 h LEU 341 N 0.74 0.82 -0.57 2.58 3.38 -1.19 0.08 115.31 121.14 1x29 h LEU 341 Ca 0.12 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.97 1x29 h LEU 341 Cb 0.62 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1x29 h LEU 341 CO 0.04 0.54 -0.29 1.56 0.09 0.00 0.00 178.44 180.38 1x29 h GLN 342 N 0.96 0.83 -0.31 1.13 7.50 -1.49 0.48 115.11 124.19 1x29 h GLN 342 Ca 0.35 -0.38 -0.06 0.00 0.50 0.00 0.00 58.65 59.06 1x29 h GLN 342 Cb 0.11 -0.02 -0.02 0.00 0.05 0.00 0.00 27.48 27.61 1x29 h GLN 342 CO -0.15 1.01 -0.08 1.49 -1.50 0.00 0.00 178.83 179.60 1x29 h GLU 343 N 0.70 0.51 -0.09 1.46 4.81 -1.08 -2.12 114.58 118.76 1x29 h GLU 343 Ca 0.08 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1x29 h GLU 343 Cb 0.84 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.16 1x29 h GLU 343 CO 0.07 0.60 0.00 1.63 -0.73 0.00 0.00 179.01 180.58 1x29 n LYS 344 N -4.23 1.30 -0.10 1.92 4.01 -0.05 -4.89 118.16 116.12 1x29 n LYS 344 Ca 0.01 -0.46 0.00 0.00 -0.51 0.00 0.00 58.31 57.35 1x29 n LYS 344 Cb 0.29 -1.25 0.00 0.00 -0.51 0.00 0.00 35.03 33.57 1x29 n LYS 344 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1x29 n GLY 345 N 0.85 0.94 3.67 0.72 0.00 -0.80 -4.95 105.19 105.63 1x29 n GLY 345 Ca 0.11 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1x29 n GLY 345 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x29 n ALA 346 N -1.69 1.78 -0.28 4.61 0.00 0.14 -4.84 120.51 120.23 1x29 n ALA 346 Ca 0.00 0.25 -0.09 0.00 0.00 0.00 0.00 53.44 53.60 1x29 n ALA 346 Cb 0.00 -2.64 0.04 0.00 0.00 0.00 0.00 19.45 16.85 1x29 n ALA 346 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1x29 n ASN 347 N 6.81 4.79 -3.60 0.00 0.23 -1.26 -4.77 115.26 117.46 1x29 n ASN 347 Ca 0.19 -2.69 -0.10 0.00 -0.53 0.00 0.00 54.58 51.45 1x29 n ASN 347 Cb 0.39 -0.87 -0.03 0.00 -2.08 0.00 0.00 39.78 37.20 1x29 n ASN 347 CO 0.00 0.00 0.00 -0.60 -0.93 0.00 0.00 177.26 175.73 1x29 s ARG 348 N -1.13 1.36 -0.29 -3.83 3.52 -1.26 -5.14 118.95 112.18 1x29 s ARG 348 Ca 0.19 -0.69 -0.16 0.00 -0.13 0.00 0.00 55.73 54.95 1x29 s ARG 348 Cb 0.16 0.56 -0.03 0.00 -1.56 0.00 0.00 34.95 34.08 1x29 s ARG 348 CO 0.01 -0.59 0.41 0.34 -0.81 0.00 0.00 175.30 174.67 1x29 s ASP 349 N -2.82 6.27 -0.22 -2.12 2.15 -1.26 -4.92 116.67 113.75 1x29 s ASP 349 Ca 0.05 0.18 0.14 0.00 0.43 0.00 0.00 52.55 53.36 1x29 s ASP 349 Cb -0.01 -2.23 0.56 0.00 -0.30 0.00 0.00 42.92 40.94 1x29 s ASP 349 CO -0.07 -0.27 1.49 0.49 -0.17 0.00 0.00 175.17 176.64 1x29 n PHE 350 N 5.44 1.20 -0.24 -5.34 3.01 -1.26 -4.67 117.46 115.59 1x29 n PHE 350 Ca -0.07 -1.07 0.11 0.00 1.01 0.00 0.00 57.45 57.43 1x29 n PHE 350 Cb 0.50 -0.41 0.39 0.00 -0.01 0.00 0.00 39.48 39.95 1x29 n PHE 350 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1x29 h SER 351 N 1.78 0.62 -0.27 4.37 0.02 -1.95 -1.39 113.55 116.74 1x29 h SER 351 Ca 0.08 0.03 0.08 0.00 -0.84 0.00 0.00 61.79 61.14 1x29 h SER 351 Cb 1.62 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 64.06 1x29 h SER 351 CO 0.33 0.33 0.40 2.19 -1.14 0.00 0.00 176.83 178.95 1x29 h PHE 352 N 0.67 0.00 -0.25 3.45 -5.15 -1.97 0.61 116.94 114.30 1x29 h PHE 352 Ca 0.41 0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 58.15 1x29 h PHE 352 Cb 0.65 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.80 1x29 h PHE 352 CO -0.00 0.00 0.02 0.82 -2.00 0.00 0.00 178.31 177.14 1x29 h ILE 353 N 0.00 1.15 0.00 0.88 2.04 -1.63 -2.11 117.51 117.84 1x29 h ILE 353 Ca 0.13 -0.57 -0.02 0.00 1.00 0.00 0.00 64.86 65.40 1x29 h ILE 353 Cb 0.93 0.94 -0.00 0.00 -0.74 0.00 0.00 36.82 37.95 1x29 h ILE 353 CO -0.00 0.19 -0.11 0.40 0.00 0.00 0.00 178.15 178.63 1x29 h ILE 354 N 0.36 0.40 -0.00 -0.67 1.08 -1.05 -2.43 117.51 115.20 1x29 h ILE 354 Ca 0.08 -0.60 0.00 0.00 -0.39 0.00 0.00 64.86 63.96 1x29 h ILE 354 Cb 0.22 1.43 0.00 0.00 -3.07 0.00 0.00 36.82 35.40 1x29 h ILE 354 CO 0.00 0.11 -0.23 0.29 -0.69 0.00 0.00 178.15 177.63 1x29 n LYS 355 N -3.43 0.04 -2.84 2.37 4.01 -0.79 -4.88 118.16 112.64 1x29 n LYS 355 Ca -0.01 -0.01 -0.37 0.00 -0.51 0.00 0.00 58.31 57.40 1x29 n LYS 355 Cb 0.27 -1.50 -0.06 0.00 -0.51 0.00 0.00 35.03 33.23 1x29 n LYS 355 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 1x29 s GLN 356 N -2.97 4.55 0.11 1.97 -0.21 -0.92 -4.87 119.66 117.33 1x29 s GLN 356 Ca 0.14 1.26 0.05 0.00 0.02 0.00 0.00 55.36 56.82 1x29 s GLN 356 Cb 0.18 -2.86 -0.04 0.00 1.00 0.00 0.00 33.01 31.29 1x29 s GLN 356 CO 0.60 0.32 0.05 -0.80 -2.12 0.00 0.00 175.29 173.34 1x29 s ASN 357 N -1.58 5.22 0.00 5.90 0.02 0.94 -5.01 114.94 120.42 1x29 s ASN 357 Ca 0.48 -0.15 0.00 0.00 -1.02 0.00 0.00 52.86 52.16 1x29 s ASN 357 Cb -0.19 -1.29 0.00 0.00 0.02 0.00 0.00 41.25 39.79 1x29 s ASN 357 CO 0.24 0.14 0.00 0.61 0.02 0.00 0.00 177.10 178.11 1x29 n GLY 358 N 0.26 -0.90 0.07 0.66 0.00 -1.24 -4.44 105.19 99.61 1x29 n GLY 358 Ca -0.10 -1.93 0.11 0.00 0.00 0.00 0.00 46.02 44.10 1x29 n GLY 358 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1x29 n MET 359 N 0.00 0.61 -3.01 1.61 2.81 -1.26 -4.91 117.12 112.97 1x29 n MET 359 Ca 0.00 -0.01 -0.19 0.00 -1.81 0.00 0.00 57.70 55.69 1x29 n MET 359 Cb 0.00 -1.70 0.04 0.00 -0.71 0.00 0.00 33.22 30.85 1x29 n MET 359 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1x29 n PHE 360 N -2.49 -1.87 -3.66 2.03 3.72 -1.26 -0.03 117.46 113.91 1x29 n PHE 360 Ca -0.02 -1.95 -0.07 0.00 -0.05 0.00 0.00 57.45 55.37 1x29 n PHE 360 Cb 0.55 -0.47 -0.08 0.00 -0.94 0.00 0.00 39.48 38.55 1x29 n PHE 360 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1x29 s SER 361 N -4.12 -0.80 -1.02 4.37 1.04 -0.69 -4.75 113.70 107.72 1x29 s SER 361 Ca 0.47 1.32 -0.19 0.00 0.48 0.00 0.00 55.95 58.03 1x29 s SER 361 Cb -0.04 1.44 0.11 0.00 0.10 0.00 0.00 66.02 67.63 1x29 s SER 361 CO 0.30 -0.22 1.31 0.12 0.98 0.00 0.00 173.24 175.73 1x29 s PHE 362 N 1.98 2.98 0.30 5.02 5.36 -1.25 -1.66 117.98 130.70 1x29 s PHE 362 Ca -0.08 -1.36 0.06 0.00 -0.96 0.00 0.00 56.93 54.60 1x29 s PHE 362 Cb -0.08 -4.45 0.76 0.00 -0.34 0.00 0.00 43.02 38.91 1x29 s PHE 362 CO -0.17 -1.63 1.76 0.66 -1.46 0.00 0.00 175.22 174.38 1x29 h SER 363 N 8.77 0.73 0.00 6.13 4.64 -1.79 -3.46 113.55 128.57 1x29 h SER 363 Ca 0.22 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1x29 h SER 363 Cb 0.99 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1x29 h SER 363 CO 1.25 0.22 0.00 0.61 -0.87 0.00 0.00 176.83 178.04 1x29 n GLY 364 N -1.32 0.48 3.77 -0.77 0.00 -1.26 -5.07 105.19 101.02 1x29 n GLY 364 Ca 0.24 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.89 1x29 n GLY 364 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x29 s LEU 365 N 0.00 4.01 0.70 0.99 1.02 -1.26 -5.03 118.68 119.10 1x29 s LEU 365 Ca 0.00 2.27 -0.09 0.00 0.02 0.00 0.00 54.13 56.33 1x29 s LEU 365 Cb 0.00 -4.25 0.03 0.00 0.02 0.00 0.00 46.19 41.99 1x29 s LEU 365 CO 0.00 -0.88 1.05 0.42 0.02 0.00 0.00 176.35 176.96 1x29 s THR 366 N -1.57 3.06 0.28 5.49 -4.23 -1.26 -4.33 115.64 113.07 1x29 s THR 366 Ca 0.63 0.15 -0.03 0.00 -1.18 0.00 0.00 61.69 61.27 1x29 s THR 366 Cb -0.28 -3.31 0.19 0.00 1.34 0.00 0.00 72.50 70.45 1x29 s THR 366 CO 0.34 -0.37 1.86 0.07 -0.54 0.00 0.00 174.62 175.98 1x29 h LYS 367 N -0.60 0.98 -0.21 3.99 -0.00 -1.95 -0.70 116.57 118.08 1x29 h LYS 367 Ca -0.45 -0.15 -0.06 0.00 -0.00 0.00 0.00 60.65 60.00 1x29 h LYS 367 Cb 1.28 -0.17 -0.01 0.00 -0.00 0.00 0.00 32.23 33.32 1x29 h LYS 367 CO 0.63 0.78 -0.12 0.93 -0.00 0.00 0.00 179.45 181.67 1x29 h GLU 368 N 0.97 0.34 -0.03 0.07 3.07 -1.93 0.20 114.58 117.26 1x29 h GLU 368 Ca 0.23 -0.08 -0.09 0.00 -0.50 0.00 0.00 59.36 58.92 1x29 h GLU 368 Cb 0.14 -0.04 0.01 0.00 -0.84 0.00 0.00 28.75 28.01 1x29 h GLU 368 CO -0.03 0.47 -0.32 1.96 -1.40 0.00 0.00 179.01 179.70 1x29 h GLN 369 N 0.32 0.27 -0.89 2.33 4.20 -1.77 -1.38 115.11 118.19 1x29 h GLN 369 Ca 0.06 -0.25 0.05 0.00 0.06 0.00 0.00 58.65 58.57 1x29 h GLN 369 Cb 0.41 0.06 -0.06 0.00 0.30 0.00 0.00 27.48 28.20 1x29 h GLN 369 CO 0.02 0.93 0.57 0.28 -0.67 0.00 0.00 178.83 179.96 1x29 h VAL 370 N -0.29 1.11 -0.69 -0.54 2.07 -0.90 0.15 116.25 117.15 1x29 h VAL 370 Ca -0.03 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 1x29 h VAL 370 Cb 1.01 -0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 1x29 h VAL 370 CO 0.06 0.20 0.39 0.25 0.02 0.00 0.00 177.57 178.49 1x29 h LEU 371 N 1.08 0.86 -0.53 2.57 5.85 -0.58 -2.62 115.31 121.94 1x29 h LEU 371 Ca 0.37 -0.09 -0.13 0.00 0.84 0.00 0.00 57.88 58.87 1x29 h LEU 371 Cb 0.07 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 1x29 h LEU 371 CO -0.14 0.70 -0.23 -0.09 -0.34 0.00 0.00 178.44 178.33 1x29 h ARG 372 N 0.95 0.95 -0.91 1.25 2.43 -0.05 -2.65 114.38 116.34 1x29 h ARG 372 Ca 0.24 -0.41 0.06 0.00 -0.81 0.00 0.00 59.98 59.07 1x29 h ARG 372 Cb 0.02 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.48 1x29 h ARG 372 CO -0.04 1.07 0.58 -0.07 -1.51 0.00 0.00 179.97 180.00 1x29 h LEU 373 N 0.81 0.91 0.38 3.80 3.38 -0.45 0.15 115.31 124.30 1x29 h LEU 373 Ca 0.10 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1x29 h LEU 373 Cb 0.80 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1x29 h LEU 373 CO 0.07 0.58 -0.18 -0.09 0.09 0.00 0.00 178.44 178.91 1x29 h ARG 374 N 1.05 -0.49 -0.22 1.13 2.43 -1.18 -0.09 114.38 117.02 1x29 h ARG 374 Ca 0.40 0.03 -0.18 0.00 -0.81 0.00 0.00 59.98 59.42 1x29 h ARG 374 Cb 0.17 0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.83 1x29 h ARG 374 CO -0.17 -0.19 -0.58 0.93 -1.51 0.00 0.00 179.97 178.45 1x29 h GLU 375 N -0.99 0.70 0.10 0.20 5.08 -1.43 0.12 114.58 118.35 1x29 h GLU 375 Ca -0.05 -0.46 -0.31 0.00 -1.00 0.00 0.00 59.36 57.54 1x29 h GLU 375 Cb 0.52 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 1x29 h GLU 375 CO 0.08 1.08 -1.60 1.49 -1.00 0.00 0.00 179.01 179.07 1x29 h GLU 376 N 0.53 0.21 -0.00 2.33 4.81 -0.85 -3.40 114.58 118.20 1x29 h GLU 376 Ca 0.00 -0.35 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 1x29 h GLU 376 Cb 1.16 0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.67 1x29 h GLU 376 CO 0.12 1.03 -0.04 1.19 -0.73 0.00 0.00 179.01 180.58 1x29 n PHE 377 N -3.39 0.00 -1.81 0.92 3.72 -0.78 -5.01 117.46 111.10 1x29 n PHE 377 Ca -0.18 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.14 1x29 n PHE 377 Cb 1.04 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.56 1x29 n PHE 377 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1x29 n GLY 378 N 0.76 0.41 3.47 1.37 0.00 0.42 -4.84 105.19 106.79 1x29 n GLY 378 Ca 0.00 -0.57 -0.39 0.00 0.00 0.00 0.00 46.02 45.06 1x29 n GLY 378 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x29 s VAL 379 N -2.39 4.80 -0.27 1.61 1.01 -0.20 -1.26 120.40 123.71 1x29 s VAL 379 Ca 0.00 -0.35 -0.16 0.00 0.00 0.00 0.00 61.98 61.47 1x29 s VAL 379 Cb 0.00 -3.45 -0.03 0.00 0.00 0.00 0.00 36.38 32.90 1x29 s VAL 379 CO 0.00 0.05 0.42 -0.31 0.00 0.00 0.00 175.10 175.26 1x29 s TYR 380 N 1.65 3.25 0.16 5.22 1.51 0.15 -2.52 117.35 126.77 1x29 s TYR 380 Ca 0.05 0.47 0.01 0.00 -1.01 0.00 0.00 57.07 56.59 1x29 s TYR 380 Cb -0.17 -2.63 -0.04 0.00 -0.11 0.00 0.00 41.96 39.01 1x29 s TYR 380 CO 0.07 -0.25 0.03 0.00 -1.11 0.00 0.00 175.55 174.29 1x29 s ALA 381 N 2.15 1.20 0.31 3.71 0.00 -1.26 0.12 121.76 127.99 1x29 s ALA 381 Ca 0.17 -1.57 -0.28 0.00 0.00 0.00 0.00 51.96 50.29 1x29 s ALA 381 Cb -0.16 0.70 -0.09 0.00 0.00 0.00 0.00 23.12 23.57 1x29 s ALA 381 CO 0.10 -0.39 1.06 0.08 0.00 0.00 0.00 175.76 176.60 1x29 s VAL 382 N -3.81 3.67 0.07 0.00 1.01 -1.08 -4.90 120.40 115.35 1x29 s VAL 382 Ca 0.25 1.54 0.18 0.00 0.00 0.00 0.00 61.98 63.94 1x29 s VAL 382 Cb 0.07 -3.92 0.18 0.00 0.00 0.00 0.00 36.38 32.70 1x29 s VAL 382 CO 0.04 0.26 1.48 0.00 0.00 0.00 0.00 175.10 176.88 1x29 h ALA 383 N 3.43 1.16 -0.00 5.51 0.00 -1.90 0.24 119.26 127.70 1x29 h ALA 383 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1x29 h ALA 383 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1x29 h ALA 383 CO 0.66 -0.16 -0.10 -1.13 0.00 0.00 0.00 179.25 178.51 1x29 n SER 384 N -2.23 0.41 0.00 0.00 3.41 -1.26 -4.18 113.62 109.77 1x29 n SER 384 Ca -0.01 -0.49 0.00 0.00 -0.26 0.00 0.00 58.87 58.10 1x29 n SER 384 Cb 0.26 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 1x29 n SER 384 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x29 n GLY 385 N 1.29 0.79 3.72 5.00 0.00 0.85 -4.82 105.19 112.02 1x29 n GLY 385 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1x29 n GLY 385 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1x29 s ARG 386 N -0.61 4.55 -0.01 1.61 3.52 -1.22 -2.19 118.95 124.60 1x29 s ARG 386 Ca 0.00 1.55 0.06 0.00 -0.13 0.00 0.00 55.73 57.21 1x29 s ARG 386 Cb 0.00 -3.40 -0.02 0.00 -1.56 0.00 0.00 34.95 29.98 1x29 s ARG 386 CO 0.00 -0.05 -0.20 0.08 -0.81 0.00 0.00 175.30 174.32 1x29 s VAL 387 N 0.72 1.59 -0.64 7.11 1.01 -0.66 -2.62 120.40 126.90 1x29 s VAL 387 Ca 0.53 -0.87 -0.21 0.00 0.00 0.00 0.00 61.98 61.42 1x29 s VAL 387 Cb -0.24 -1.32 0.08 0.00 0.00 0.00 0.00 36.38 34.90 1x29 s VAL 387 CO 0.29 0.44 0.89 0.21 0.00 0.00 0.00 175.10 176.93 1x29 s ASN 388 N -0.49 6.18 0.45 3.32 2.47 -0.67 -1.71 114.94 124.49 1x29 s ASN 388 Ca 0.08 -1.13 0.15 0.00 0.42 0.00 0.00 52.86 52.38 1x29 s ASN 388 Cb -0.08 -2.38 1.01 0.00 -1.45 0.00 0.00 41.25 38.34 1x29 s ASN 388 CO -0.01 -1.34 1.98 0.58 -3.72 0.00 0.00 177.10 174.59 1x29 h VAL 389 N 5.96 1.11 0.00 -5.21 2.07 -0.74 -0.86 116.25 118.57 1x29 h VAL 389 Ca -0.29 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.55 1x29 h VAL 389 Cb 1.08 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 1x29 h VAL 389 CO 1.16 0.19 0.00 0.00 0.02 0.00 0.00 177.57 178.94 1x29 n ALA 390 N -2.49 1.52 1.09 1.67 0.00 -1.16 -1.41 120.51 119.73 1x29 n ALA 390 Ca -0.02 -0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.53 1x29 n ALA 390 Cb 0.26 -1.22 0.15 0.00 0.00 0.00 0.00 19.45 18.64 1x29 n ALA 390 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x29 n GLY 391 N -0.33 -0.58 3.78 0.00 0.00 -0.33 -2.47 105.19 105.26 1x29 n GLY 391 Ca 0.02 -0.50 -0.39 0.00 0.00 0.00 0.00 46.02 45.15 1x29 n GLY 391 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1x29 s MET 392 N -2.66 4.45 0.21 1.61 -1.94 -0.50 -4.94 119.30 115.53 1x29 s MET 392 Ca 0.17 1.02 0.04 0.00 -1.71 0.00 0.00 55.69 55.21 1x29 s MET 392 Cb 0.18 -3.28 -0.05 0.00 2.01 0.00 0.00 34.83 33.69 1x29 s MET 392 CO 0.63 0.53 -0.02 0.95 -0.01 0.00 0.00 175.02 177.09 1x29 s THR 393 N -0.91 1.03 0.45 2.05 -4.23 -1.26 -4.96 115.64 107.80 1x29 s THR 393 Ca 0.34 -2.04 0.15 0.00 -1.18 0.00 0.00 61.69 58.97 1x29 s THR 393 Cb -0.22 -2.21 0.33 0.00 1.34 0.00 0.00 72.50 71.75 1x29 s THR 393 CO 0.23 -0.43 1.99 -0.65 -0.54 0.00 0.00 174.62 175.22 1x29 h PRO 394 N 2.56 0.33 -0.06 3.99 0.11 -1.96 -1.91 132.00 135.06 1x29 h PRO 394 Ca -0.38 -0.02 -0.20 0.00 0.11 0.00 0.00 66.00 65.51 1x29 h PRO 394 Cb 1.21 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1x29 h PRO 394 CO 0.64 0.22 -0.79 -0.44 -0.21 0.00 0.00 178.00 177.42 1x29 h ASP 395 N 0.34 0.53 -0.02 -2.05 3.32 -1.96 -3.31 116.42 113.28 1x29 h ASP 395 Ca 0.26 -0.37 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1x29 h ASP 395 Cb 0.57 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1x29 h ASP 395 CO -0.06 1.13 -0.06 -0.46 -1.72 0.00 0.00 179.24 178.07 1x29 n ASN 396 N -3.82 2.58 0.01 6.45 0.23 -1.00 -4.50 115.26 115.20 1x29 n ASN 396 Ca -0.05 -1.83 -0.11 0.00 -0.53 0.00 0.00 54.58 52.06 1x29 n ASN 396 Cb 0.75 0.05 -0.05 0.00 -2.08 0.00 0.00 39.78 38.44 1x29 n ASN 396 CO 0.00 0.00 0.00 -0.03 -0.93 0.00 0.00 177.26 176.30 1x29 h MET 397 N 3.96 0.07 0.63 -3.83 4.05 -1.45 -2.02 114.93 116.34 1x29 h MET 397 Ca 0.00 -0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.39 1x29 h MET 397 Cb 0.87 -0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 31.65 1x29 h MET 397 CO 0.00 0.05 -0.35 0.00 0.23 0.00 0.00 176.91 176.83 1x29 h ALA 398 N 1.05 -0.93 -0.95 0.39 0.00 -1.80 -0.19 119.26 116.83 1x29 h ALA 398 Ca 0.03 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.82 1x29 h ALA 398 Cb 0.01 0.42 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 1x29 h ALA 398 CO -0.03 -1.03 0.61 -1.35 0.00 0.00 0.00 179.25 177.44 1x29 h PRO 399 N -0.92 1.06 -0.27 0.00 0.11 -1.84 -0.64 132.00 129.50 1x29 h PRO 399 Ca -0.08 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.96 1x29 h PRO 399 Cb 0.73 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.59 1x29 h PRO 399 CO 0.10 0.70 0.16 1.25 -0.21 0.00 0.00 178.00 180.00 1x29 h LEU 400 N 1.09 0.33 -0.61 2.35 6.46 -1.18 -1.80 115.31 121.95 1x29 h LEU 400 Ca 0.42 -0.06 -0.15 0.00 -0.12 0.00 0.00 57.88 57.97 1x29 h LEU 400 Cb 0.20 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.04 1x29 h LEU 400 CO -0.18 0.29 -0.58 0.00 -0.62 0.00 0.00 178.44 177.35 1x29 h GLU 402 N 0.28 1.09 -0.62 0.00 5.08 -0.97 -1.59 114.58 117.85 1x29 h GLU 402 Ca -0.00 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.16 1x29 h GLU 402 Cb 1.09 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 30.13 1x29 h GLU 402 CO 0.10 0.87 0.29 0.00 -1.00 0.00 0.00 179.01 179.26 1x29 h ALA 403 N 1.17 0.81 -0.12 3.43 0.00 -1.19 -2.22 119.26 121.13 1x29 h ALA 403 Ca 0.25 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1x29 h ALA 403 Cb 0.16 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1x29 h ALA 403 CO -0.03 0.38 0.03 0.82 0.00 0.00 0.00 179.25 180.45 1x29 h ILE 404 N 0.86 1.20 -0.74 0.00 2.04 -1.15 -2.91 117.51 116.81 1x29 h ILE 404 Ca 0.21 -0.64 0.07 0.00 1.00 0.00 0.00 64.86 65.50 1x29 h ILE 404 Cb 0.14 1.40 -0.05 0.00 -0.74 0.00 0.00 36.82 37.58 1x29 h ILE 404 CO -0.02 0.19 0.48 0.58 0.00 0.00 0.00 178.15 179.38 1x29 h VAL 405 N -0.01 1.02 0.00 1.67 2.07 -1.22 -1.71 116.25 118.07 1x29 h VAL 405 Ca 0.04 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 1x29 h VAL 405 Cb 0.27 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 1x29 h VAL 405 CO 0.00 0.14 -0.21 0.00 0.02 0.00 0.00 177.57 177.53 1x29 h ALA 406 N 1.60 1.35 -0.02 1.67 0.00 -1.21 -2.72 119.26 119.94 1x29 h ALA 406 Ca 0.32 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1x29 h ALA 406 Cb 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1x29 h ALA 406 CO -0.11 0.26 -0.35 1.55 0.00 0.00 0.00 179.25 180.60 1x29 n VAL 408 N -3.85 0.00 0.89 0.00 3.14 -0.69 -5.11 118.33 112.71 1x29 n VAL 408 Ca -0.02 -0.33 0.07 0.00 -2.96 0.00 0.00 64.34 61.11 1x29 n VAL 408 Cb 0.30 1.33 0.42 0.00 -1.06 0.00 0.00 33.84 34.83 1x29 n VAL 408 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26