#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 0.30 0.08 1.12 3.72 -1.26 -3.70 117.46 117.72 1x29 n PHE 6 Ca 0.00 -0.15 -0.17 0.00 -0.05 0.00 0.00 57.45 57.08 1x29 n PHE 6 Cb 0.00 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 38.40 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 1.49 0.27 0.00 -1.08 3.07 -2.11 -3.31 114.58 112.91 1x29 h GLU 7 Ca 0.00 -0.46 0.00 0.00 -0.50 0.00 0.00 59.36 58.40 1x29 h GLU 7 Cb 0.34 0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.42 1x29 h GLU 7 CO 0.00 1.16 0.00 0.09 -1.40 0.00 0.00 179.01 178.86 1x29 n ASN 8 N -3.48 0.00 -4.70 1.42 4.13 -1.24 -4.81 115.26 106.57 1x29 n ASN 8 Ca -0.14 -0.94 -0.42 0.00 1.68 0.00 0.00 54.58 54.75 1x29 n ASN 8 Cb 1.04 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 39.25 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 -2.00 4.85 -0.07 2.41 1.01 -1.25 -5.03 121.20 121.12 1x29 s ILE 9 Ca 0.42 2.04 -0.18 0.00 0.00 0.00 0.00 60.65 62.93 1x29 s ILE 9 Cb 0.19 -4.31 -0.05 0.00 0.01 0.00 0.00 42.46 38.30 1x29 s ILE 9 CO 0.32 0.12 0.48 0.28 0.00 0.00 0.00 174.94 176.14 1x29 s THR 10 N 1.28 5.10 0.72 2.92 -1.32 -1.26 -5.04 115.64 118.03 1x29 s THR 10 Ca 0.51 0.97 -0.16 0.00 -1.21 0.00 0.00 61.69 61.79 1x29 s THR 10 Cb -0.20 -3.81 -0.01 0.00 -1.51 0.00 0.00 72.50 66.97 1x29 s THR 10 CO 0.25 0.40 0.85 0.00 -2.21 0.00 0.00 174.62 173.91 1x29 n ALA 11 N 3.07 -0.57 -2.88 11.08 0.00 -1.26 -5.00 120.51 124.95 1x29 n ALA 11 Ca -0.09 -0.19 -0.34 0.00 0.00 0.00 0.00 53.44 52.82 1x29 n ALA 11 Cb 0.52 -2.04 -0.05 0.00 0.00 0.00 0.00 19.45 17.87 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 -1.83 3.94 0.95 0.00 0.00 -1.26 -5.09 121.76 118.46 1x29 s ALA 12 Ca 0.71 -0.72 -0.12 0.00 0.00 0.00 0.00 51.96 51.83 1x29 s ALA 12 Cb -0.35 -1.92 0.16 0.00 0.00 0.00 0.00 23.12 21.01 1x29 s ALA 12 CO 0.52 0.73 1.09 -1.25 0.00 0.00 0.00 175.76 176.85 1x29 s PRO 13 N -1.89 0.80 0.45 0.00 0.04 -1.26 -4.99 135.00 128.15 1x29 s PRO 13 Ca 0.27 0.81 -0.21 0.00 0.04 0.00 0.00 61.00 61.91 1x29 s PRO 13 Cb -0.13 -1.76 -0.10 0.00 0.04 0.00 0.00 34.50 32.56 1x29 s PRO 13 CO 0.18 -2.55 1.00 0.00 0.04 0.00 0.00 177.00 175.66 1x29 s ALA 14 N -2.86 2.98 0.12 8.56 0.00 -1.26 -4.96 121.76 124.33 1x29 s ALA 14 Ca 0.65 0.52 -0.31 0.00 0.00 0.00 0.00 51.96 52.82 1x29 s ALA 14 Cb -0.19 -3.21 -0.10 0.00 0.00 0.00 0.00 23.12 19.63 1x29 s ALA 14 CO 0.58 -0.09 1.69 0.34 0.00 0.00 0.00 175.76 178.29 1x29 s ASP 15 N -2.01 6.53 0.26 0.00 2.15 -1.26 -4.82 116.67 117.51 1x29 s ASP 15 Ca 0.63 2.63 0.15 0.00 0.43 0.00 0.00 52.55 56.39 1x29 s ASP 15 Cb -0.14 -2.57 0.82 0.00 -0.30 0.00 0.00 42.92 40.73 1x29 s ASP 15 CO 0.18 -0.92 1.42 -0.81 -0.17 0.00 0.00 175.17 174.87 1x29 n PRO 16 N 5.13 0.10 0.01 4.34 -0.04 -1.26 -0.98 135.00 142.31 1x29 n PRO 16 Ca 0.16 0.58 -0.02 0.00 -0.04 0.00 0.00 63.50 64.18 1x29 n PRO 16 Cb 0.39 -1.92 -0.01 0.00 -0.04 0.00 0.00 33.50 31.92 1x29 n PRO 16 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1x29 n ILE 17 N -2.04 1.06 0.25 0.52 5.41 -1.26 -4.58 119.36 118.72 1x29 n ILE 17 Ca -0.01 0.30 0.11 0.00 1.00 0.00 0.00 62.75 64.15 1x29 n ILE 17 Cb 0.12 -1.64 0.67 0.00 -0.71 0.00 0.00 39.64 38.08 1x29 n ILE 17 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1x29 h LEU 18 N -0.19 0.00 0.48 1.39 3.38 -1.97 -2.86 115.31 115.55 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 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1x29 h LEU 18 CO 0.00 0.14 -0.23 1.23 0.09 0.00 0.00 178.44 179.67 1x29 h GLY 19 N 0.75 -0.68 -0.88 0.83 0.00 -1.35 -3.04 103.07 98.70 1x29 h GLY 19 Ca -0.00 0.25 0.34 0.00 0.00 0.00 0.00 47.33 47.92 1x29 h GLY 19 CO 0.02 -0.25 0.38 -0.10 0.00 0.00 0.00 176.54 176.59 1x29 n LEU 20 N -5.29 0.22 -0.03 3.11 7.94 -1.08 0.80 117.00 122.67 1x29 n LEU 20 Ca -0.11 1.47 0.07 0.00 -1.11 0.00 0.00 56.01 56.32 1x29 n LEU 20 Cb 0.31 -0.68 0.45 0.00 0.53 0.00 0.00 43.42 44.03 1x29 n LEU 20 CO 0.33 -1.61 1.17 0.00 -1.11 0.00 0.00 177.39 176.17 1x29 h ALA 21 N 1.76 1.81 0.01 1.96 0.00 -1.60 -0.86 119.26 122.35 1x29 h ALA 21 Ca 0.70 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 55.34 1x29 h ALA 21 Cb 1.79 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 19.45 1x29 h ALA 21 CO -0.71 0.13 -1.02 -0.44 0.00 0.00 0.00 179.25 177.21 1x29 h ASP 22 N 0.51 0.71 0.46 0.00 3.45 0.30 -1.92 116.42 119.93 1x29 h ASP 22 Ca 0.20 -0.58 -0.05 0.00 0.43 0.00 0.00 57.03 57.03 1x29 h ASP 22 Cb 0.15 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 38.69 1x29 h ASP 22 CO -0.05 1.38 -0.24 0.25 -1.57 0.00 0.00 179.24 179.01 1x29 h LEU 23 N 0.29 0.00 0.11 1.55 6.46 -1.17 -2.35 115.31 120.21 1x29 h LEU 23 Ca -0.11 0.00 -0.16 0.00 -0.12 0.00 0.00 57.88 57.49 1x29 h LEU 23 Cb 1.66 0.00 0.02 0.00 -0.73 0.00 0.00 40.66 41.61 1x29 h LEU 23 CO 0.19 0.24 -0.72 0.15 -0.62 0.00 0.00 178.44 177.68 1x29 h PHE 24 N 0.00 0.43 0.00 1.25 3.57 -1.11 -2.84 116.94 118.25 1x29 h PHE 24 Ca -0.00 -0.32 0.00 0.00 3.53 0.00 0.00 57.97 61.18 1x29 h PHE 24 Cb 0.54 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.26 1x29 h PHE 24 CO 0.00 1.28 0.00 0.54 -2.23 0.00 0.00 178.31 177.90 1x29 n ARG 25 N -4.20 0.09 -0.04 1.11 5.12 -0.73 -1.89 116.66 116.12 1x29 n ARG 25 Ca -0.14 0.49 -0.15 0.00 -1.93 0.00 0.00 57.85 56.12 1x29 n ARG 25 Cb 0.77 -1.73 -0.14 0.00 -1.16 0.00 0.00 32.46 30.19 1x29 n ARG 25 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1x29 n ALA 26 N -1.65 1.28 -1.66 7.54 0.00 -0.90 -4.94 120.51 120.19 1x29 n ALA 26 Ca 0.01 -0.85 -0.46 0.00 0.00 0.00 0.00 53.44 52.13 1x29 n ALA 26 Cb 0.09 -0.57 -0.04 0.00 0.00 0.00 0.00 19.45 18.93 1x29 n ALA 26 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1x29 n ASP 27 N -3.18 2.72 -0.00 0.00 -0.08 -0.79 -4.91 116.55 110.31 1x29 n ASP 27 Ca -0.29 1.12 0.11 0.00 -1.51 0.00 0.00 54.79 54.21 1x29 n ASP 27 Cb 1.06 -1.40 -0.15 0.00 2.34 0.00 0.00 41.12 42.97 1x29 n ASP 27 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 1x29 n GLU 28 N 2.61 0.51 -2.14 -0.67 -0.00 -1.26 -4.97 120.64 114.72 1x29 n GLU 28 Ca 0.14 -0.14 -0.41 0.00 -0.00 0.00 0.00 57.16 56.75 1x29 n GLU 28 Cb 0.29 -1.53 -0.02 0.00 -0.00 0.00 0.00 31.44 30.18 1x29 n GLU 28 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.13 176.15 1x29 s ARG 29 N -3.40 4.37 0.41 3.44 1.70 -1.26 -4.99 118.95 119.23 1x29 s ARG 29 Ca -0.04 2.18 -0.24 0.00 -0.47 0.00 0.00 55.73 57.16 1x29 s ARG 29 Cb 0.14 -3.09 -0.09 0.00 -0.57 0.00 0.00 34.95 31.34 1x29 s ARG 29 CO 0.89 -0.18 1.07 -1.25 -1.08 0.00 0.00 175.30 174.75 1x29 s PRO 30 N -1.51 4.08 0.00 3.89 0.04 -1.26 -3.79 135.00 136.45 1x29 s PRO 30 Ca 0.50 1.55 0.00 0.00 0.04 0.00 0.00 61.00 63.09 1x29 s PRO 30 Cb -0.39 -2.50 0.00 0.00 0.04 0.00 0.00 34.50 31.65 1x29 s PRO 30 CO 0.50 -0.23 0.00 0.41 0.04 0.00 0.00 177.00 177.72 1x29 n GLY 31 N 0.32 0.60 3.50 0.56 0.00 -1.26 -5.05 105.19 103.87 1x29 n GLY 31 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.00 0.78 -4.17 1.61 5.02 -1.25 -4.95 118.16 113.19 1x29 n LYS 32 Ca 0.00 0.28 -0.27 0.00 -2.02 0.00 0.00 58.31 56.30 1x29 n LYS 32 Cb 0.00 -1.70 -0.17 0.00 -0.02 0.00 0.00 35.03 33.14 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 -1.45 1.23 -0.42 -0.18 1.01 -0.37 -5.02 121.20 116.01 1x29 s ILE 33 Ca 0.65 -0.46 -0.16 0.00 0.00 0.00 0.00 60.65 60.68 1x29 s ILE 33 Cb -0.56 -1.18 0.03 0.00 0.01 0.00 0.00 42.46 40.75 1x29 s ILE 33 CO 0.57 0.40 0.36 0.21 0.00 0.00 0.00 174.94 176.47 1x29 s ASN 34 N 1.31 6.14 -0.20 3.58 3.04 -1.26 -0.21 114.94 127.35 1x29 s ASN 34 Ca -0.01 -0.86 0.12 0.00 0.04 0.00 0.00 52.86 52.15 1x29 s ASN 34 Cb -0.14 -2.19 0.40 0.00 -1.54 0.00 0.00 41.25 37.79 1x29 s ASN 34 CO -0.05 -0.52 1.21 0.18 -3.04 0.00 0.00 177.10 174.88 1x29 n LEU 35 N 5.34 2.64 0.00 3.21 4.32 0.20 -4.84 117.00 127.86 1x29 n LEU 35 Ca -0.10 -3.77 0.00 0.00 -0.02 0.00 0.00 56.01 52.12 1x29 n LEU 35 Cb 0.47 -0.51 0.00 0.00 -1.62 0.00 0.00 43.42 41.76 1x29 n LEU 35 CO 0.44 1.30 0.00 0.61 -1.22 0.00 0.00 177.39 178.52 1x29 n GLY 36 N -1.14 1.18 3.51 -0.72 0.00 -1.14 -1.34 105.19 105.54 1x29 n GLY 36 Ca 0.18 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.72 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 1.58 -1.34 -0.61 5.41 -1.26 -4.41 119.36 118.73 1x29 n ILE 37 Ca 0.00 -0.40 -0.38 0.00 1.00 0.00 0.00 62.75 62.97 1x29 n ILE 37 Cb 0.00 -0.52 -0.02 0.00 -0.71 0.00 0.00 39.64 38.39 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 1.71 3.83 3.51 7.39 0.00 -1.26 -4.89 105.19 115.48 1x29 n GLY 38 Ca 0.15 -1.39 -0.33 0.00 0.00 0.00 0.00 46.02 44.45 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 3.23 3.26 0.52 1.61 1.01 -1.26 -5.01 120.40 123.77 1x29 s VAL 39 Ca 0.55 -0.64 -0.20 0.00 0.00 0.00 0.00 61.98 61.68 1x29 s VAL 39 Cb 0.15 -2.30 -0.07 0.00 0.00 0.00 0.00 36.38 34.16 1x29 s VAL 39 CO -0.04 0.59 1.11 -0.47 0.00 0.00 0.00 175.10 176.29 1x29 s TYR 40 N -0.72 2.77 0.01 5.22 5.04 -1.26 -4.61 117.35 123.81 1x29 s TYR 40 Ca 0.11 1.55 0.00 0.00 -2.44 0.00 0.00 57.07 56.30 1x29 s TYR 40 Cb -0.11 -3.24 -0.01 0.00 0.35 0.00 0.00 41.96 38.95 1x29 s TYR 40 CO 0.01 -1.37 -0.03 0.15 -1.34 0.00 0.00 175.55 172.98 1x29 s LYS 41 N -3.22 0.22 0.17 4.97 1.02 -1.12 -4.32 119.74 117.46 1x29 s LYS 41 Ca 0.71 -0.33 -0.01 0.00 0.02 0.00 0.00 55.97 56.36 1x29 s LYS 41 Cb -0.22 -0.03 0.03 0.00 -0.52 0.00 0.00 37.83 37.09 1x29 s LYS 41 CO 0.26 -0.00 0.23 -0.40 -0.92 0.00 0.00 175.35 174.51 1x29 n ASP 42 N 2.34 0.21 0.08 2.83 5.68 -0.02 -4.82 116.55 122.84 1x29 n ASP 42 Ca -0.18 -1.20 0.14 0.00 -0.50 0.00 0.00 54.79 53.06 1x29 n ASP 42 Cb 0.57 -0.16 0.64 0.00 -1.14 0.00 0.00 41.12 41.04 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 0.07 -0.05 0.11 4.39 -1.92 -0.04 114.58 117.14 1x29 h GLU 43 Ca -0.07 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.62 1x29 h GLU 43 Cb 0.25 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1x29 h GLU 43 CO 0.07 0.04 0.00 0.25 -1.16 0.00 0.00 179.01 178.21 1x29 n THR 44 N -4.45 0.06 -1.17 1.13 -2.24 -1.26 -4.58 114.28 101.77 1x29 n THR 44 Ca 0.05 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1x29 n THR 44 Cb 0.38 0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 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 1.09 0.43 3.57 3.38 0.00 -0.03 -5.06 105.19 108.58 1x29 n GLY 45 Ca 0.19 -0.98 -0.24 0.00 0.00 0.00 0.00 46.02 44.99 1x29 n GLY 45 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x29 s LYS 46 N -2.35 1.99 -0.85 1.61 0.00 -1.26 -4.82 119.74 114.06 1x29 s LYS 46 Ca 0.00 -1.64 -0.03 0.00 0.00 0.00 0.00 55.97 54.30 1x29 s LYS 46 Cb 0.00 -1.95 0.21 0.00 0.00 0.00 0.00 37.83 36.10 1x29 s LYS 46 CO 0.00 0.30 0.73 0.99 0.00 0.00 0.00 175.35 177.37 1x29 s THR 47 N -2.44 4.43 0.75 3.79 2.01 -1.26 -0.84 115.64 122.07 1x29 s THR 47 Ca 0.31 -3.55 -0.11 0.00 0.31 0.00 0.00 61.69 58.65 1x29 s THR 47 Cb -0.04 -3.76 0.04 0.00 0.01 0.00 0.00 72.50 68.74 1x29 s THR 47 CO 0.18 -1.05 1.10 -2.16 -0.69 0.00 0.00 174.62 172.00 1x29 s PRO 48 N -0.97 2.49 -0.05 4.92 0.04 -1.26 -5.04 135.00 135.13 1x29 s PRO 48 Ca 0.25 0.54 -0.18 0.00 0.04 0.00 0.00 61.00 61.65 1x29 s PRO 48 Cb -0.10 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.41 1x29 s PRO 48 CO -0.10 -1.31 0.51 0.54 0.04 0.00 0.00 177.00 176.68 1x29 s VAL 49 N -3.27 5.06 0.73 -0.36 0.11 -1.26 -4.98 120.40 116.42 1x29 s VAL 49 Ca 0.59 1.04 -0.16 0.00 -2.93 0.00 0.00 61.98 60.53 1x29 s VAL 49 Cb -0.13 -3.84 0.01 0.00 -1.53 0.00 0.00 36.38 30.90 1x29 s VAL 49 CO 0.53 0.41 1.00 0.18 -3.33 0.00 0.00 175.10 173.89 1x29 n LEU 50 N 2.99 3.71 -0.13 2.54 4.77 -1.26 -4.83 117.00 124.78 1x29 n LEU 50 Ca -0.08 0.67 -0.11 0.00 -0.03 0.00 0.00 56.01 56.46 1x29 n LEU 50 Cb 0.51 -1.42 -0.02 0.00 -2.33 0.00 0.00 43.42 40.16 1x29 n LEU 50 CO 0.42 -1.96 0.74 0.74 -1.33 0.00 0.00 177.39 176.01 1x29 h THR 51 N -0.27 1.27 0.00 -5.08 2.02 -1.97 -1.77 112.91 107.11 1x29 h THR 51 Ca -0.47 -1.13 -0.00 0.00 0.77 0.00 0.00 66.41 65.57 1x29 h THR 51 Cb 1.33 1.21 -0.00 0.00 -1.74 0.00 0.00 68.15 68.95 1x29 h THR 51 CO 0.47 0.38 -0.02 0.77 0.37 0.00 0.00 175.52 177.49 1x29 h SER 52 N 0.55 0.00 0.32 4.18 4.64 -1.91 -1.37 113.55 119.96 1x29 h SER 52 Ca 0.10 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.12 1x29 h SER 52 Cb 0.57 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.69 1x29 h SER 52 CO 0.03 0.02 -1.30 0.58 -0.87 0.00 0.00 176.83 175.30 1x29 h VAL 53 N 0.00 1.35 -0.65 0.95 2.07 -1.82 -2.26 116.25 115.89 1x29 h VAL 53 Ca -0.00 -2.69 -0.08 0.00 0.82 0.00 0.00 66.70 64.75 1x29 h VAL 53 Cb 0.03 2.84 -0.03 0.00 -1.52 0.00 0.00 31.29 32.62 1x29 h VAL 53 CO 0.00 0.80 0.09 0.11 0.02 0.00 0.00 177.57 178.59 1x29 h LYS 54 N 0.18 1.09 0.22 1.57 1.79 -0.70 -0.75 116.57 119.97 1x29 h LYS 54 Ca -0.19 -0.30 -0.01 0.00 -2.18 0.00 0.00 60.65 57.97 1x29 h LYS 54 Cb 1.98 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 32.51 1x29 h LYS 54 CO 0.24 1.01 -0.11 0.87 -1.08 0.00 0.00 179.45 180.38 1x29 h LYS 55 N 1.00 -0.29 -0.88 3.15 1.57 -1.32 -1.33 116.57 118.48 1x29 h LYS 55 Ca 0.19 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 59.07 1x29 h LYS 55 Cb 0.46 0.07 -0.07 0.00 0.08 0.00 0.00 32.23 32.77 1x29 h LYS 55 CO 0.02 -0.14 0.54 0.00 -0.57 0.00 0.00 179.45 179.29 1x29 h ALA 56 N 0.39 1.23 -0.41 3.86 0.00 -1.26 -1.09 119.26 121.97 1x29 h ALA 56 Ca -0.03 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1x29 h ALA 56 Cb 0.29 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1x29 h ALA 56 CO 0.05 0.24 0.01 0.93 0.00 0.00 0.00 179.25 180.48 1x29 h GLU 57 N 0.94 0.66 -0.49 0.00 5.08 -0.90 -1.44 114.58 118.44 1x29 h GLU 57 Ca 0.40 -0.16 -0.12 0.00 -1.00 0.00 0.00 59.36 58.48 1x29 h GLU 57 Cb 0.25 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1x29 h GLU 57 CO -0.20 0.68 -0.15 0.37 -1.00 0.00 0.00 179.01 178.70 1x29 h GLN 58 N 0.63 0.97 -0.61 2.33 4.15 -0.06 -1.08 115.11 121.43 1x29 h GLN 58 Ca 0.13 -0.39 0.02 0.00 0.77 0.00 0.00 58.65 59.19 1x29 h GLN 58 Cb 0.39 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.99 1x29 h GLN 58 CO 0.01 1.06 0.38 -0.92 -1.93 0.00 0.00 178.83 177.43 1x29 h TYR 59 N 0.82 0.71 -0.47 3.99 3.20 -0.84 -2.24 116.97 122.14 1x29 h TYR 59 Ca 0.12 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.94 1x29 h TYR 59 Cb 0.72 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 1x29 h TYR 59 CO 0.05 0.41 0.03 -0.07 -1.64 0.00 0.00 178.16 176.95 1x29 h LEU 60 N 0.75 0.79 -1.15 2.82 3.38 -1.07 -0.92 115.31 119.92 1x29 h LEU 60 Ca 0.24 -0.29 0.05 0.00 0.09 0.00 0.00 57.88 57.97 1x29 h LEU 60 Cb 0.00 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.49 1x29 h LEU 60 CO -0.09 0.88 0.58 0.25 0.09 0.00 0.00 178.44 180.15 1x29 h LEU 61 N 0.67 0.93 0.03 1.67 5.85 -0.87 0.05 115.31 123.65 1x29 h LEU 61 Ca 0.14 -0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.62 1x29 h LEU 61 Cb 0.46 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 1x29 h LEU 61 CO 0.02 0.63 -1.13 -0.33 -0.34 0.00 0.00 178.44 177.29 1x29 h GLU 62 N 1.08 0.07 -0.00 1.25 5.08 -1.21 -3.38 114.58 117.46 1x29 h GLU 62 Ca 0.36 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1x29 h GLU 62 Cb 0.08 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1x29 h GLU 62 CO -0.12 1.01 -0.73 0.09 -1.00 0.00 0.00 179.01 178.26 1x29 n ASN 63 N -3.37 0.98 -4.70 1.42 4.13 -0.37 -4.95 115.26 108.40 1x29 n ASN 63 Ca -0.04 -0.99 -0.42 0.00 1.68 0.00 0.00 54.58 54.81 1x29 n ASN 63 Cb 0.97 0.90 -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 -2.52 4.38 0.00 3.52 2.02 -0.02 -4.89 118.70 121.19 1x29 s GLU 64 Ca 0.08 1.79 0.09 0.00 0.02 0.00 0.00 54.97 56.95 1x29 s GLU 64 Cb 0.13 -3.44 -0.09 0.00 0.10 0.00 0.00 34.13 30.83 1x29 s GLU 64 CO 0.66 -0.37 0.42 0.25 0.02 0.00 0.00 175.26 176.24 1x29 n THR 66 N 4.24 0.00 -3.52 3.63 -2.24 -1.26 -5.00 114.28 110.13 1x29 n THR 66 Ca 0.10 -0.29 -0.13 0.00 -2.27 0.00 0.00 64.05 61.46 1x29 n THR 66 Cb 0.46 1.01 -0.04 0.00 -2.10 0.00 0.00 70.33 69.66 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 -1.83 0.02 -0.18 4.28 -1.32 -1.26 -5.03 115.64 110.33 1x29 s THR 67 Ca 0.04 -0.18 0.16 0.00 -1.21 0.00 0.00 61.69 60.50 1x29 s THR 67 Cb 0.07 -1.02 0.44 0.00 -1.51 0.00 0.00 72.50 70.48 1x29 s THR 67 CO 0.37 -0.10 1.32 0.29 -2.21 0.00 0.00 174.62 174.29 1x29 n LYS 68 N 0.00 2.17 -1.62 7.08 4.76 -1.26 -5.05 118.16 124.25 1x29 n LYS 68 Ca -0.17 -2.81 -0.41 0.00 -2.87 0.00 0.00 58.31 52.05 1x29 n LYS 68 Cb 0.63 -1.71 0.02 0.00 -1.84 0.00 0.00 35.03 32.12 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 -0.93 1.27 -4.52 4.39 4.05 -1.26 -4.85 115.26 113.41 1x29 n ASN 69 Ca 0.21 0.99 -0.45 0.00 0.45 0.00 0.00 54.58 55.79 1x29 n ASN 69 Cb 0.81 -1.37 -0.01 0.00 1.23 0.00 0.00 39.78 40.44 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 -0.71 0.46 -2.28 1.20 4.01 -1.26 -5.00 117.16 113.59 1x29 n TYR 70 Ca 0.10 0.74 -0.25 0.00 -0.16 0.00 0.00 57.90 58.32 1x29 n TYR 70 Cb 0.41 -2.12 0.07 0.00 -0.31 0.00 0.00 39.34 37.39 1x29 n TYR 70 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1x29 s LEU 71 N 1.29 2.89 0.84 7.72 1.02 -1.26 -5.05 118.68 126.12 1x29 s LEU 71 Ca 0.61 0.33 -0.11 0.00 0.02 0.00 0.00 54.13 54.97 1x29 s LEU 71 Cb -0.72 -2.97 0.10 0.00 0.02 0.00 0.00 46.19 42.61 1x29 s LEU 71 CO 0.59 -1.59 1.09 -0.83 0.02 0.00 0.00 176.35 175.62 1x29 s GLY 72 N -4.53 1.63 0.34 -3.19 0.00 -1.26 -4.85 107.32 95.46 1x29 s GLY 72 Ca 0.61 0.00 0.11 0.00 0.00 0.00 0.00 44.72 45.44 1x29 s GLY 72 CO 0.44 0.44 1.75 -2.22 0.00 0.00 0.00 173.10 173.51 1x29 h ILE 73 N -1.34 0.56 -0.46 0.90 2.04 -1.97 0.54 117.51 117.78 1x29 h ILE 73 Ca -0.47 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.20 1x29 h ILE 73 Cb 1.26 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 1x29 h ILE 73 CO 0.55 0.10 0.00 -0.90 0.00 0.00 0.00 178.15 177.90 1x29 n ASP 74 N -4.80 2.53 0.00 1.72 5.75 -1.26 -4.31 116.55 116.18 1x29 n ASP 74 Ca 0.26 -2.03 0.00 0.00 -0.01 0.00 0.00 54.79 53.01 1x29 n ASP 74 Cb 0.76 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 40.52 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 1.19 -1.63 3.68 6.12 0.00 0.18 -1.51 105.19 113.23 1x29 n GLY 75 Ca 0.15 -1.36 -0.42 0.00 0.00 0.00 0.00 46.02 44.39 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 3.55 0.13 -0.61 1.01 -1.26 -4.35 121.20 119.67 1x29 s ILE 76 Ca 0.00 0.91 -0.22 0.00 0.00 0.00 0.00 60.65 61.34 1x29 s ILE 76 Cb 0.00 -3.58 -0.02 0.00 0.01 0.00 0.00 42.46 38.87 1x29 s ILE 76 CO 0.00 -0.02 1.67 -0.65 0.00 0.00 0.00 174.94 175.94 1x29 h PRO 77 N 8.19 -0.17 -0.51 2.79 0.11 -1.98 -2.06 132.00 138.36 1x29 h PRO 77 Ca -0.39 0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.77 1x29 h PRO 77 Cb 1.18 0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 1x29 h PRO 77 CO 0.92 -0.12 0.34 0.93 -0.21 0.00 0.00 178.00 179.87 1x29 h GLU 78 N -0.18 0.56 -0.28 1.05 4.39 -2.00 -1.73 114.58 116.40 1x29 h GLU 78 Ca 0.10 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.78 1x29 h GLU 78 Cb 0.32 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 1x29 h GLU 78 CO -0.25 0.37 0.16 0.35 -1.16 0.00 0.00 179.01 178.48 1x29 h PHE 79 N 0.58 0.29 -0.67 4.33 3.57 -1.74 -0.22 116.94 123.09 1x29 h PHE 79 Ca 0.21 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 1x29 h PHE 79 Cb 0.11 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 1x29 h PHE 79 CO -0.00 0.17 0.38 0.78 -2.23 0.00 0.00 178.31 177.41 1x29 h GLY 80 N 0.32 0.98 0.92 2.40 0.00 -1.03 -1.79 103.07 104.88 1x29 h GLY 80 Ca 0.11 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 1x29 h GLY 80 CO -0.06 0.42 0.12 -0.09 0.00 0.00 0.00 176.54 176.93 1x29 h ARG 81 N 0.91 0.41 -0.44 4.80 2.43 -1.00 -2.04 114.38 119.45 1x29 h ARG 81 Ca 0.24 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.30 1x29 h ARG 81 Cb 0.02 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 1x29 h ARG 81 CO -0.04 0.43 0.11 0.00 -1.51 0.00 0.00 179.97 178.96 1x29 h THR 83 N 0.64 1.01 -0.92 0.00 2.02 -0.99 -2.37 112.91 112.30 1x29 h THR 83 Ca 0.15 -0.20 0.03 0.00 0.77 0.00 0.00 66.41 67.15 1x29 h THR 83 Cb 0.23 1.14 -0.05 0.00 -1.74 0.00 0.00 68.15 67.73 1x29 h THR 83 CO -0.00 0.05 0.61 1.56 0.37 0.00 0.00 175.52 178.10 1x29 h GLN 84 N -0.16 1.16 -0.28 6.66 4.20 -1.14 -1.50 115.11 124.05 1x29 h GLN 84 Ca -0.01 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 1x29 h GLN 84 Cb 0.14 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 1x29 h GLN 84 CO 0.01 0.77 0.08 0.93 -0.67 0.00 0.00 178.83 179.95 1x29 h GLU 85 N 1.19 0.43 -0.93 1.46 5.08 -1.36 0.22 114.58 120.68 1x29 h GLU 85 Ca 0.35 -0.10 0.07 0.00 -1.00 0.00 0.00 59.36 58.69 1x29 h GLU 85 Cb -0.05 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.07 1x29 h GLU 85 CO -0.10 0.50 0.59 -0.07 -1.00 0.00 0.00 179.01 178.93 1x29 h LEU 86 N 0.28 0.92 0.01 1.33 3.38 -0.89 0.37 115.31 120.72 1x29 h LEU 86 Ca 0.09 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1x29 h LEU 86 Cb 0.25 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1x29 h LEU 86 CO -0.00 0.58 -0.00 -0.07 0.09 0.00 0.00 178.44 179.03 1x29 h LEU 87 N 1.05 -0.01 0.00 1.67 3.38 -1.11 -3.40 115.31 116.88 1x29 h LEU 87 Ca 0.41 -0.79 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1x29 h LEU 87 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1x29 h LEU 87 CO -0.18 0.86 -1.47 0.49 0.09 0.00 0.00 178.44 178.22 1x29 n PHE 88 N -4.67 0.21 0.00 1.13 3.72 0.05 -4.75 117.46 113.14 1x29 n PHE 88 Ca -0.08 0.06 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 1x29 n PHE 88 Cb 0.39 -0.48 0.00 0.00 -0.94 0.00 0.00 39.48 38.45 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 1.31 2.37 0.31 1.37 0.00 0.13 -4.49 105.19 106.19 1x29 n GLY 89 Ca -0.01 -1.52 0.06 0.00 0.00 0.00 0.00 46.02 44.55 1x29 n GLY 89 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x29 h LYS 90 N 0.00 0.02 -0.30 1.61 1.57 -1.90 -0.30 116.57 117.28 1x29 h LYS 90 Ca 0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1x29 h LYS 90 Cb 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1x29 h LYS 90 CO 0.00 0.02 0.00 0.41 -0.57 0.00 0.00 179.45 179.31 1x29 n GLY 91 N -1.52 0.74 3.28 3.86 0.00 -1.26 -4.98 105.19 105.31 1x29 n GLY 91 Ca 0.15 -0.47 -0.46 0.00 0.00 0.00 0.00 46.02 45.24 1x29 n GLY 91 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x29 n SER 92 N 0.63 -1.41 0.13 1.61 2.88 -0.12 -4.82 113.62 112.52 1x29 n SER 92 Ca 0.16 1.06 -0.00 0.00 -1.33 0.00 0.00 58.87 58.75 1x29 n SER 92 Cb 0.37 -0.91 0.10 0.00 -0.75 0.00 0.00 64.21 63.02 1x29 n SER 92 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x29 h ALA 93 N 0.88 0.73 -0.76 -1.46 0.00 -1.92 -2.44 119.26 114.30 1x29 h ALA 93 Ca -0.28 -0.58 0.02 0.00 0.00 0.00 0.00 54.91 54.07 1x29 h ALA 93 Cb 1.40 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 1x29 h ALA 93 CO 0.54 0.79 0.49 -0.07 0.00 0.00 0.00 179.25 181.00 1x29 h LEU 94 N 0.00 0.82 -0.11 0.00 3.38 -1.95 0.20 115.31 117.65 1x29 h LEU 94 Ca -0.01 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 1x29 h LEU 94 Cb 1.31 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1x29 h LEU 94 CO 0.08 0.57 -0.29 0.40 0.09 0.00 0.00 178.44 179.30 1x29 h ILE 95 N 0.97 1.39 -0.39 1.22 2.04 -1.90 -0.88 117.51 119.95 1x29 h ILE 95 Ca 0.30 -1.60 -0.02 0.00 1.00 0.00 0.00 64.86 64.55 1x29 h ILE 95 Cb -0.02 2.13 -0.02 0.00 -0.74 0.00 0.00 36.82 38.17 1x29 h ILE 95 CO -0.10 0.47 0.17 0.78 0.00 0.00 0.00 178.15 179.47 1x29 h ASN 96 N -0.05 0.49 -0.10 1.72 -0.26 -1.11 -1.35 115.58 114.92 1x29 h ASN 96 Ca -0.00 -0.04 0.00 0.00 -0.56 0.00 0.00 56.30 55.69 1x29 h ASN 96 Cb 0.90 -0.13 0.00 0.00 -1.06 0.00 0.00 38.32 38.03 1x29 h ASN 96 CO 0.06 0.44 0.00 0.47 -1.06 0.00 0.00 177.43 177.34 1x29 n ASP 97 N -4.40 1.59 -3.79 5.81 8.00 0.69 -4.94 116.55 119.52 1x29 n ASP 97 Ca 0.03 -1.61 -0.25 0.00 0.71 0.00 0.00 54.79 53.67 1x29 n ASP 97 Cb 0.13 -0.06 0.03 0.00 -0.02 0.00 0.00 41.12 41.20 1x29 n ASP 97 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1x29 n LYS 98 N 0.25 -5.18 0.00 -1.24 5.02 -0.51 -4.27 118.16 112.23 1x29 n LYS 98 Ca 0.17 0.61 0.13 0.00 -2.02 0.00 0.00 58.31 57.21 1x29 n LYS 98 Cb 0.34 -5.30 0.37 0.00 -0.02 0.00 0.00 35.03 30.43 1x29 n LYS 98 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1x29 n ARG 99 N -4.45 1.64 -4.87 1.97 1.74 -0.37 -3.76 116.66 108.56 1x29 n ARG 99 Ca -0.17 -1.10 -0.26 0.00 -0.77 0.00 0.00 57.85 55.55 1x29 n ARG 99 Cb 0.62 -1.48 -0.16 0.00 -1.02 0.00 0.00 32.46 30.42 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 -2.12 1.56 -0.00 7.54 0.00 -1.26 -1.74 121.76 125.74 1x29 s ALA 100 Ca 0.32 -0.73 0.06 0.00 0.00 0.00 0.00 51.96 51.62 1x29 s ALA 100 Cb 0.20 -0.49 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 1x29 s ALA 100 CO 0.37 0.30 -0.20 1.03 0.00 0.00 0.00 175.76 177.27 1x29 s ARG 101 N -0.06 1.56 -0.04 0.00 1.81 -0.40 -4.98 118.95 116.83 1x29 s ARG 101 Ca -0.02 -0.76 0.05 0.00 -1.72 0.00 0.00 55.73 53.28 1x29 s ARG 101 Cb -0.11 -1.54 -0.01 0.00 -0.45 0.00 0.00 34.95 32.85 1x29 s ARG 101 CO 0.02 0.42 -0.19 0.99 -0.68 0.00 0.00 175.30 175.85 1x29 s THR 102 N -0.54 1.57 -0.10 0.02 2.01 -1.26 -0.60 115.64 116.73 1x29 s THR 102 Ca 0.08 -0.80 0.01 0.00 0.31 0.00 0.00 61.69 61.28 1x29 s THR 102 Cb -0.08 -1.34 -0.02 0.00 0.01 0.00 0.00 72.50 71.08 1x29 s THR 102 CO -0.00 0.45 -0.13 0.00 -0.69 0.00 0.00 174.62 174.25 1x29 s ALA 103 N -0.07 2.66 0.03 7.40 0.00 -0.51 -4.82 121.76 126.46 1x29 s ALA 103 Ca -0.02 -0.91 -0.30 0.00 0.00 0.00 0.00 51.96 50.72 1x29 s ALA 103 Cb -0.11 -1.15 -0.05 0.00 0.00 0.00 0.00 23.12 21.81 1x29 s ALA 103 CO 0.02 0.35 1.18 -1.14 0.00 0.00 0.00 175.76 176.17 1x29 s GLN 104 N -0.01 4.43 0.28 0.00 0.74 -0.57 -1.19 119.66 123.34 1x29 s GLN 104 Ca -0.03 1.71 0.06 0.00 0.05 0.00 0.00 55.36 57.15 1x29 s GLN 104 Cb -0.14 -3.40 -0.06 0.00 1.10 0.00 0.00 33.01 30.51 1x29 s GLN 104 CO 0.04 -0.27 -0.03 0.95 -0.55 0.00 0.00 175.29 175.43 1x29 s THR 105 N 1.28 1.51 -1.13 -0.34 -4.23 -0.07 -4.63 115.64 108.02 1x29 s THR 105 Ca 0.57 -2.09 -0.21 0.00 -1.18 0.00 0.00 61.69 58.79 1x29 s THR 105 Cb -0.28 -2.50 0.06 0.00 1.34 0.00 0.00 72.50 71.12 1x29 s THR 105 CO 0.28 -0.25 1.57 -2.16 -0.54 0.00 0.00 174.62 173.51 1x29 s PRO 106 N -3.77 3.75 0.02 3.99 0.04 -1.26 -1.48 135.00 136.30 1x29 s PRO 106 Ca 0.30 -1.48 0.00 0.00 0.04 0.00 0.00 61.00 59.87 1x29 s PRO 106 Cb 0.05 -5.43 0.00 0.00 0.04 0.00 0.00 34.50 29.16 1x29 s PRO 106 CO 0.12 -2.23 0.00 0.41 0.04 0.00 0.00 177.00 175.34 1x29 n GLY 107 N 6.28 -1.84 0.27 0.56 0.00 -0.97 -2.65 105.19 106.84 1x29 n GLY 107 Ca 0.39 -1.49 -0.04 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.07 0.71 0.86 -0.02 0.00 -1.77 -2.10 103.07 100.68 1x29 h GLY 108 Ca -0.00 -0.50 0.02 0.00 0.00 0.00 0.00 47.33 46.84 1x29 h GLY 108 CO 0.00 0.46 0.11 -0.84 0.00 0.00 0.00 176.54 176.27 1x29 h THR 109 N 0.60 0.97 -0.76 4.70 2.02 -1.91 -0.87 112.91 117.66 1x29 h THR 109 Ca 0.11 -0.08 0.06 0.00 0.77 0.00 0.00 66.41 67.27 1x29 h THR 109 Cb 0.52 0.72 -0.05 0.00 -1.74 0.00 0.00 68.15 67.60 1x29 h THR 109 CO 0.03 0.04 0.50 1.23 0.37 0.00 0.00 175.52 177.70 1x29 h GLY 110 N 0.24 1.04 1.21 2.16 0.00 -1.22 -0.24 103.07 106.26 1x29 h GLY 110 Ca 0.10 -0.33 -0.09 0.00 0.00 0.00 0.00 47.33 47.01 1x29 h GLY 110 CO -0.08 0.25 -0.04 0.00 0.00 0.00 0.00 176.54 176.67 1x29 h ALA 111 N 1.58 0.92 -0.52 3.60 0.00 -0.68 -1.39 119.26 122.78 1x29 h ALA 111 Ca 0.33 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1x29 h ALA 111 Cb 0.22 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1x29 h ALA 111 CO -0.11 0.64 -0.07 -0.07 0.00 0.00 0.00 179.25 179.63 1x29 h LEU 112 N 0.86 0.96 -0.39 0.00 3.38 0.20 -2.40 115.31 117.92 1x29 h LEU 112 Ca 0.15 -0.34 -0.11 0.00 0.09 0.00 0.00 57.88 57.68 1x29 h LEU 112 Cb 0.56 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1x29 h LEU 112 CO 0.03 1.07 -0.17 -0.09 0.09 0.00 0.00 178.44 179.37 1x29 h ARG 113 N 0.82 0.80 -0.37 1.13 9.65 -0.90 -1.22 114.38 124.30 1x29 h ARG 113 Ca 0.14 -0.34 -0.08 0.00 -1.10 0.00 0.00 59.98 58.60 1x29 h ARG 113 Cb 0.62 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.16 1x29 h ARG 113 CO 0.04 0.96 -0.10 -0.39 2.80 0.00 0.00 179.97 183.28 1x29 h VAL 114 N 0.60 1.24 -0.43 0.20 -1.51 -1.24 0.40 116.25 115.52 1x29 h VAL 114 Ca 0.09 -1.07 -0.04 0.00 -1.23 0.00 0.00 66.70 64.45 1x29 h VAL 114 Cb 0.72 1.08 -0.02 0.00 -2.13 0.00 0.00 31.29 30.94 1x29 h VAL 114 CO 0.05 0.36 0.12 0.00 -1.23 0.00 0.00 177.57 176.87 1x29 h ALA 115 N 1.31 0.56 -0.11 5.19 0.00 -1.31 0.50 119.26 125.40 1x29 h ALA 115 Ca 0.11 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1x29 h ALA 115 Cb 0.52 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1x29 h ALA 115 CO 0.03 0.23 0.05 0.00 0.00 0.00 0.00 179.25 179.56 1x29 h ALA 116 N 0.97 0.14 -0.66 0.00 0.00 -0.78 -0.23 119.26 118.70 1x29 h ALA 116 Ca 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1x29 h ALA 116 Cb 0.29 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1x29 h ALA 116 CO -0.00 -0.28 0.43 -0.44 0.00 0.00 0.00 179.25 178.95 1x29 h ASP 117 N 0.04 0.76 -0.10 0.00 3.32 -0.82 -0.24 116.42 119.38 1x29 h ASP 117 Ca 0.04 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1x29 h ASP 117 Cb 0.14 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1x29 h ASP 117 CO -0.00 0.56 0.06 0.15 -1.72 0.00 0.00 179.24 178.29 1x29 h PHE 118 N 0.89 0.11 -0.46 4.55 3.57 -0.70 -1.85 116.94 123.05 1x29 h PHE 118 Ca 0.24 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.70 1x29 h PHE 118 Cb -0.08 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.60 1x29 h PHE 118 CO -0.02 0.07 0.14 -0.07 -2.23 0.00 0.00 178.31 176.19 1x29 h LEU 119 N 0.12 0.67 -0.70 0.59 3.38 -0.80 -1.30 115.31 117.27 1x29 h LEU 119 Ca 0.04 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 1x29 h LEU 119 Cb -0.01 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 1x29 h LEU 119 CO -0.01 0.70 0.25 0.00 0.09 0.00 0.00 178.44 179.47 1x29 h ALA 120 N 1.00 0.92 0.00 1.53 0.00 -0.91 -2.38 119.26 119.40 1x29 h ALA 120 Ca 0.15 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1x29 h ALA 120 Cb 0.27 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1x29 h ALA 120 CO -0.00 0.57 -0.59 1.57 0.00 0.00 0.00 179.25 180.80 1x29 h LYS 121 N 1.02 0.00 0.00 0.00 -0.00 -1.29 -3.40 116.57 112.90 1x29 h LYS 121 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.88 1x29 h LYS 121 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.49 1x29 h LYS 121 CO -0.01 0.09 0.00 0.09 -0.00 0.00 0.00 179.45 179.62 1x29 n ASN 122 N -2.93 1.06 -3.59 7.07 3.02 -0.50 -5.08 115.26 114.32 1x29 n ASN 122 Ca 0.01 -1.15 -0.22 0.00 -0.03 0.00 0.00 54.58 53.18 1x29 n ASN 122 Cb 0.59 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.69 1x29 n ASN 122 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1x29 s THR 123 N -0.15 0.18 -1.14 3.41 -4.23 -0.90 -5.02 115.64 107.78 1x29 s THR 123 Ca 0.00 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 58.67 1x29 s THR 123 Cb 0.00 -2.42 0.65 0.00 1.34 0.00 0.00 72.50 72.07 1x29 s THR 123 CO 0.00 0.00 1.54 -1.54 -0.54 0.00 0.00 174.62 174.08 1x29 n SER 124 N -1.54 4.34 -4.73 3.99 3.41 -1.26 -4.82 113.62 113.02 1x29 n SER 124 Ca 0.03 -2.42 -0.42 0.00 -0.26 0.00 0.00 58.87 55.80 1x29 n SER 124 Cb 0.63 -0.55 -0.03 0.00 -0.26 0.00 0.00 64.21 64.00 1x29 n SER 124 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1x29 s VAL 125 N -1.86 2.48 0.00 -3.33 1.01 -1.26 -4.87 120.40 112.57 1x29 s VAL 125 Ca 0.46 0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.81 1x29 s VAL 125 Cb 0.30 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 33.44 1x29 s VAL 125 CO 0.21 0.04 0.00 2.29 0.00 0.00 0.00 175.10 177.65 1x29 n LYS 126 N 3.28 1.68 -4.27 2.72 0.00 -1.26 -4.77 118.16 115.54 1x29 n LYS 126 Ca 0.11 0.00 -0.17 0.00 -0.00 0.00 0.00 58.31 58.25 1x29 n LYS 126 Cb 0.38 -0.87 -0.14 0.00 -0.00 0.00 0.00 35.03 34.40 1x29 n LYS 126 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 1x29 s ARG 129 N -1.52 0.63 -0.09 -1.58 3.52 -1.26 -2.20 118.95 116.44 1x29 s ARG 129 Ca 0.00 -0.34 0.04 0.00 -0.13 0.00 0.00 55.73 55.30 1x29 s ARG 129 Cb 0.00 -0.59 -0.00 0.00 -1.56 0.00 0.00 34.95 32.80 1x29 s ARG 129 CO 0.00 0.16 -0.23 0.08 -0.81 0.00 0.00 175.30 174.50 1x29 s VAL 133 N -0.31 1.96 -0.24 7.11 1.01 -0.27 -1.46 120.40 128.19 1x29 s VAL 133 Ca 0.02 -0.97 -0.09 0.00 0.00 0.00 0.00 61.98 60.94 1x29 s VAL 133 Cb -0.04 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 1x29 s VAL 133 CO -0.00 0.54 0.11 0.26 0.00 0.00 0.00 175.10 176.01 1x29 s TRP 134 N 0.29 3.19 0.15 5.22 0.52 0.10 -0.84 118.94 127.57 1x29 s TRP 134 Ca -0.16 -0.08 0.11 0.00 0.02 0.00 0.00 56.10 55.99 1x29 s TRP 134 Cb -0.17 -2.25 -0.04 0.00 -1.15 0.00 0.00 33.47 29.86 1x29 s TRP 134 CO 0.08 -0.14 -0.25 0.08 0.02 0.00 0.00 176.95 176.73 1x29 s VAL 135 N 1.32 2.33 0.53 4.03 1.01 0.47 -0.50 120.40 129.58 1x29 s VAL 135 Ca 0.06 -1.84 -0.19 0.00 0.00 0.00 0.00 61.98 60.00 1x29 s VAL 135 Cb -0.15 -2.06 -0.06 0.00 0.00 0.00 0.00 36.38 34.11 1x29 s VAL 135 CO 0.05 0.01 1.07 -0.94 0.00 0.00 0.00 175.10 175.30 1x29 s SER 136 N -2.29 5.98 -0.23 3.32 1.04 -1.26 -0.86 113.70 119.41 1x29 s SER 136 Ca 0.17 1.99 0.02 0.00 0.48 0.00 0.00 55.95 58.61 1x29 s SER 136 Cb -0.09 -2.56 0.04 0.00 0.10 0.00 0.00 66.02 63.51 1x29 s SER 136 CO 0.08 -1.03 -0.14 0.21 0.98 0.00 0.00 173.24 173.33 1x29 s ASN 137 N -2.08 3.91 0.81 7.02 2.47 -0.34 -3.10 114.94 123.62 1x29 s ASN 137 Ca 0.68 -1.08 -0.10 0.00 0.42 0.00 0.00 52.86 52.79 1x29 s ASN 137 Cb -0.19 -1.53 0.12 0.00 -1.45 0.00 0.00 41.25 38.20 1x29 s ASN 137 CO 0.26 -0.11 1.14 -2.16 -3.72 0.00 0.00 177.10 172.51 1x29 s PRO 138 N 1.18 1.61 0.33 0.43 0.04 -1.26 -3.34 135.00 134.00 1x29 s PRO 138 Ca -0.03 -0.32 -0.16 0.00 0.04 0.00 0.00 61.00 60.53 1x29 s PRO 138 Cb -0.17 -2.04 0.03 0.00 0.04 0.00 0.00 34.50 32.36 1x29 s PRO 138 CO -0.08 -1.70 0.71 0.45 0.04 0.00 0.00 177.00 176.42 1x29 s SER 139 N -4.67 -0.01 0.07 6.66 0.15 -1.18 -4.71 113.70 110.00 1x29 s SER 139 Ca 0.65 -0.98 -0.33 0.00 0.70 0.00 0.00 55.95 55.99 1x29 s SER 139 Cb -0.08 0.77 -0.12 0.00 -1.71 0.00 0.00 66.02 64.88 1x29 s SER 139 CO 0.48 -1.50 1.74 1.87 1.20 0.00 0.00 173.24 177.04 1x29 n TRP 140 N -0.50 2.38 -0.35 3.44 -0.00 -1.08 -4.65 117.44 116.68 1x29 n TRP 140 Ca -0.06 0.07 0.13 0.00 -0.00 0.00 0.00 57.50 57.65 1x29 n TRP 140 Cb 0.60 -2.63 0.32 0.00 -0.00 0.00 0.00 31.31 29.60 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 7.68 0.70 0.00 5.87 0.11 -1.99 -2.38 132.00 141.98 1x29 h PRO 141 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1x29 h PRO 141 Cb 1.25 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1x29 h PRO 141 CO 0.92 0.47 0.00 -1.71 -0.21 0.00 0.00 178.00 177.47 1x29 n ASN 142 N -4.80 0.54 -0.04 -2.05 5.15 -1.26 -3.49 115.26 109.32 1x29 n ASN 142 Ca 0.23 0.66 -0.09 0.00 -0.60 0.00 0.00 54.58 54.78 1x29 n ASN 142 Cb 0.58 -0.77 -0.03 0.00 -0.53 0.00 0.00 39.78 39.04 1x29 n ASN 142 CO 0.00 0.00 0.00 0.45 1.40 0.00 0.00 177.26 179.11 1x29 h HIS 143 N 0.00 0.04 -0.77 1.20 3.86 -1.80 -1.54 115.15 116.14 1x29 h HIS 143 Ca 0.00 0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.17 1x29 h HIS 143 Cb 0.26 0.01 -0.03 0.00 1.06 0.00 0.00 27.41 28.70 1x29 h HIS 143 CO 0.00 0.01 0.27 -0.22 0.86 0.00 0.00 177.93 178.85 1x29 h LYS 144 N 0.10 1.18 -0.77 2.45 3.64 -1.79 -2.78 116.57 118.59 1x29 h LYS 144 Ca 0.08 -0.23 -0.02 0.00 -1.27 0.00 0.00 60.65 59.21 1x29 h LYS 144 Cb 0.09 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 31.69 1x29 h LYS 144 CO -0.12 0.98 0.40 0.77 -2.27 0.00 0.00 179.45 179.20 1x29 h SER 145 N 1.14 0.98 -0.20 4.20 0.02 -1.66 -0.47 113.55 117.56 1x29 h SER 145 Ca 0.25 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 1x29 h SER 145 Cb 0.27 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 1x29 h SER 145 CO -0.01 0.82 0.06 0.58 -1.14 0.00 0.00 176.83 177.14 1x29 h VAL 146 N 1.07 1.18 -0.19 2.27 2.07 -1.06 -1.43 116.25 120.17 1x29 h VAL 146 Ca 0.27 -0.58 -0.19 0.00 0.82 0.00 0.00 66.70 67.02 1x29 h VAL 146 Cb 0.08 1.20 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1x29 h VAL 146 CO -0.04 0.18 -0.63 -0.26 0.02 0.00 0.00 177.57 176.84 1x29 h PHE 147 N 0.15 0.88 -0.36 1.57 0.04 -1.42 -2.89 116.94 114.91 1x29 h PHE 147 Ca 0.06 -0.34 -0.03 0.00 2.80 0.00 0.00 57.97 60.46 1x29 h PHE 147 Cb 0.22 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.20 1x29 h PHE 147 CO -0.00 1.13 0.10 -0.91 -0.60 0.00 0.00 178.31 178.03 1x29 h ASN 148 N 0.50 0.47 -0.23 2.17 2.35 -1.08 -1.33 115.58 118.43 1x29 h ASN 148 Ca -0.01 -0.06 0.07 0.00 -0.55 0.00 0.00 56.30 55.75 1x29 h ASN 148 Cb 1.22 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.46 1x29 h ASN 148 CO 0.13 0.46 0.20 -1.28 -1.65 0.00 0.00 177.43 175.29 1x29 h SER 149 N 0.51 0.00 -0.61 5.81 0.87 -1.03 0.37 113.55 119.47 1x29 h SER 149 Ca 0.12 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1x29 h SER 149 Cb 0.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1x29 h SER 149 CO -0.01 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.29 1x29 n ALA 150 N -2.45 2.40 -0.88 6.23 0.00 -0.56 -4.91 120.51 120.33 1x29 n ALA 150 Ca 0.03 -1.08 0.00 0.00 0.00 0.00 0.00 53.44 52.39 1x29 n ALA 150 Cb 0.35 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 1.48 0.53 3.74 0.00 0.00 0.13 -4.85 105.19 106.23 1x29 n GLY 151 Ca 0.21 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 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 4.34 0.24 0.99 1.02 -0.83 -4.99 118.68 119.45 1x29 s LEU 152 Ca 0.00 0.99 -0.30 0.00 0.02 0.00 0.00 54.13 54.84 1x29 s LEU 152 Cb 0.00 -2.82 -0.09 0.00 0.02 0.00 0.00 46.19 43.30 1x29 s LEU 152 CO 0.00 0.04 1.17 -0.70 0.02 0.00 0.00 176.35 176.88 1x29 s GLU 154 N 0.27 4.53 -0.17 1.70 2.12 -0.93 -3.65 118.70 122.57 1x29 s GLU 154 Ca 0.29 1.89 0.00 0.00 0.36 0.00 0.00 54.97 57.51 1x29 s GLU 154 Cb -0.17 -3.20 0.00 0.00 0.26 0.00 0.00 34.13 31.03 1x29 s GLU 154 CO 0.14 0.02 -0.16 0.08 -0.54 0.00 0.00 175.26 174.80 1x29 s VAL 155 N -0.61 2.55 0.20 3.70 1.01 -1.26 -1.12 120.40 124.87 1x29 s VAL 155 Ca 0.49 -0.80 0.08 0.00 0.00 0.00 0.00 61.98 61.75 1x29 s VAL 155 Cb -0.33 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 1x29 s VAL 155 CO 0.40 0.51 0.02 -0.13 0.00 0.00 0.00 175.10 175.91 1x29 s ARG 156 N 0.99 2.43 0.05 2.72 1.81 -0.02 -4.97 118.95 121.96 1x29 s ARG 156 Ca -0.02 -1.18 0.07 0.00 -1.72 0.00 0.00 55.73 52.89 1x29 s ARG 156 Cb -0.15 -2.33 -0.03 0.00 -0.45 0.00 0.00 34.95 31.99 1x29 s ARG 156 CO -0.03 0.43 -0.18 -1.21 -0.68 0.00 0.00 175.30 173.63 1x29 s GLU 157 N -3.21 2.04 0.17 3.54 2.02 -1.26 -0.40 118.70 121.60 1x29 s GLU 157 Ca 0.29 -1.01 0.10 0.00 0.02 0.00 0.00 54.97 54.37 1x29 s GLU 157 Cb -0.08 -2.19 -0.04 0.00 0.10 0.00 0.00 34.13 31.92 1x29 s GLU 157 CO 0.20 0.53 -0.16 1.52 0.02 0.00 0.00 175.26 177.37 1x29 s TYR 158 N -0.97 2.51 0.52 1.61 -0.85 -0.03 -4.90 117.35 115.23 1x29 s TYR 158 Ca 0.15 -0.27 -0.21 0.00 -0.52 0.00 0.00 57.07 56.23 1x29 s TYR 158 Cb -0.11 -1.26 -0.06 0.00 0.38 0.00 0.00 41.96 40.91 1x29 s TYR 158 CO 0.06 0.47 1.16 0.00 -1.52 0.00 0.00 175.55 175.73 1x29 s ALA 159 N -1.54 2.78 0.00 9.51 0.00 -1.26 -1.20 121.76 130.05 1x29 s ALA 159 Ca 0.22 0.91 0.00 0.00 0.00 0.00 0.00 51.96 53.09 1x29 s ALA 159 Cb -0.09 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1x29 s ALA 159 CO 0.12 -0.80 0.00 0.98 0.00 0.00 0.00 175.76 176.06 1x29 n TYR 160 N -1.04 -0.45 -4.06 0.00 9.36 -1.21 -3.94 117.16 115.82 1x29 n TYR 160 Ca 0.10 0.00 -0.35 0.00 3.32 0.00 0.00 57.90 60.98 1x29 n TYR 160 Cb 0.49 0.27 -0.10 0.00 -0.63 0.00 0.00 39.34 39.38 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 -1.54 3.26 -0.74 2.98 5.04 -1.26 -1.37 117.35 123.72 1x29 s TYR 161 Ca 0.00 0.10 -0.19 0.00 -2.44 0.00 0.00 57.07 54.54 1x29 s TYR 161 Cb 0.00 -2.03 0.13 0.00 0.35 0.00 0.00 41.96 40.41 1x29 s TYR 161 CO 0.00 0.22 0.88 0.34 -1.34 0.00 0.00 175.55 175.65 1x29 s ASP 162 N 0.13 6.41 0.14 4.32 -1.08 0.32 -4.75 116.67 122.16 1x29 s ASP 162 Ca 0.04 -1.77 0.16 0.00 -0.52 0.00 0.00 52.55 50.46 1x29 s ASP 162 Cb -0.12 -2.33 0.72 0.00 -1.46 0.00 0.00 42.92 39.72 1x29 s ASP 162 CO 0.01 -1.05 1.49 0.00 0.52 0.00 0.00 175.17 176.13 1x29 n ALA 163 N 6.19 1.42 -0.07 3.66 0.00 -1.26 -0.36 120.51 130.08 1x29 n ALA 163 Ca 0.05 0.05 -0.19 0.00 0.00 0.00 0.00 53.44 53.35 1x29 n ALA 163 Cb 0.46 -1.25 -0.12 0.00 0.00 0.00 0.00 19.45 18.53 1x29 n ALA 163 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1x29 h GLU 164 N 0.00 0.04 -0.18 0.00 4.81 -1.94 -3.37 114.58 113.95 1x29 h GLU 164 Ca 0.00 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1x29 h GLU 164 Cb 0.19 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1x29 h GLU 164 CO 0.00 1.04 0.00 0.09 -0.73 0.00 0.00 179.01 179.41 1x29 n ASN 165 N -4.39 2.49 -3.93 1.04 4.13 -1.17 -4.95 115.26 108.47 1x29 n ASN 165 Ca -0.24 -1.83 -0.26 0.00 1.68 0.00 0.00 54.58 53.93 1x29 n ASN 165 Cb 0.66 -0.11 -0.01 0.00 -1.54 0.00 0.00 39.78 38.78 1x29 n ASN 165 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 1x29 n HIS 166 N 0.89 -1.75 -4.25 3.10 8.25 0.51 -4.95 115.22 117.02 1x29 n HIS 166 Ca 0.17 0.78 -0.18 0.00 -0.26 0.00 0.00 57.72 58.23 1x29 n HIS 166 Cb 0.48 -3.81 -0.07 0.00 1.12 0.00 0.00 29.99 27.71 1x29 n HIS 166 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1x29 s THR 167 N -3.81 0.00 -0.13 1.59 -4.23 -1.05 -4.98 115.64 103.02 1x29 s THR 167 Ca 0.11 -1.92 -0.29 0.00 -1.18 0.00 0.00 61.69 58.40 1x29 s THR 167 Cb -0.06 -2.53 -0.01 0.00 1.34 0.00 0.00 72.50 71.24 1x29 s THR 167 CO 0.87 0.00 1.07 -0.22 -0.54 0.00 0.00 174.62 175.81 1x29 s LEU 168 N -3.35 4.21 -1.25 4.79 2.96 -1.26 -0.52 118.68 124.26 1x29 s LEU 168 Ca 0.39 1.55 -0.14 0.00 -0.22 0.00 0.00 54.13 55.71 1x29 s LEU 168 Cb 0.02 -3.55 0.15 0.00 0.50 0.00 0.00 46.19 43.30 1x29 s LEU 168 CO 0.26 -0.56 1.59 -0.67 -1.32 0.00 0.00 176.35 175.65 1x29 n ASP 169 N 5.52 5.10 -0.08 3.68 -0.08 -0.47 -4.80 116.55 125.42 1x29 n ASP 169 Ca 0.10 -2.98 0.02 0.00 -1.51 0.00 0.00 54.79 50.43 1x29 n ASP 169 Cb 0.47 -1.60 0.34 0.00 2.34 0.00 0.00 41.12 42.68 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 6.98 0.69 -0.17 -0.67 3.57 -1.92 -1.37 116.94 124.05 1x29 h PHE 170 Ca 0.37 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.84 1x29 h PHE 170 Cb 0.83 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 1x29 h PHE 170 CO 1.20 0.46 -0.00 -0.44 -2.23 0.00 0.00 178.31 177.30 1x29 h ASP 171 N 0.73 0.29 -0.03 0.41 3.32 -1.98 -1.96 116.42 117.20 1x29 h ASP 171 Ca 0.19 -0.31 -0.09 0.00 0.02 0.00 0.00 57.03 56.84 1x29 h ASP 171 Cb -0.04 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 1x29 h ASP 171 CO -0.04 0.53 -0.26 0.00 -1.72 0.00 0.00 179.24 177.76 1x29 h ALA 172 N 0.77 1.12 -0.03 3.45 0.00 -1.89 -1.99 119.26 120.69 1x29 h ALA 172 Ca 0.05 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1x29 h ALA 172 Cb 0.38 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1x29 h ALA 172 CO 0.01 0.55 0.02 1.25 0.00 0.00 0.00 179.25 181.08 1x29 h LEU 173 N 0.40 0.04 -0.13 0.00 6.46 -1.12 0.35 115.31 121.31 1x29 h LEU 173 Ca 0.06 -0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 1x29 h LEU 173 Cb 0.66 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.58 1x29 h LEU 173 CO 0.05 0.11 0.07 0.40 -0.62 0.00 0.00 178.44 178.45 1x29 h ILE 174 N -0.03 1.01 -0.66 4.05 1.08 -1.22 -2.65 117.51 119.10 1x29 h ILE 174 Ca 0.01 -0.05 -0.04 0.00 -0.39 0.00 0.00 64.86 64.39 1x29 h ILE 174 Cb 0.07 0.85 -0.03 0.00 -3.07 0.00 0.00 36.82 34.64 1x29 h ILE 174 CO -0.00 0.03 0.25 0.78 -0.69 0.00 0.00 178.15 178.52 1x29 h ASN 175 N 0.15 0.92 0.79 1.72 2.35 -1.24 -2.85 115.58 117.42 1x29 h ASN 175 Ca 0.05 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 55.61 1x29 h ASN 175 Cb -0.00 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.13 1x29 h ASN 175 CO -0.02 0.85 -0.04 0.77 -1.65 0.00 0.00 177.43 177.34 1x29 h SER 176 N 0.94 0.00 -0.48 5.81 4.64 -0.80 -2.33 113.55 121.32 1x29 h SER 176 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1x29 h SER 176 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1x29 h SER 176 CO -0.02 0.04 0.00 0.18 -0.87 0.00 0.00 176.83 176.16 1x29 n LEU 177 N -3.17 2.69 0.16 5.97 4.77 -1.01 -4.19 117.00 122.21 1x29 n LEU 177 Ca -0.00 -1.32 0.03 0.00 -0.03 0.00 0.00 56.01 54.68 1x29 n LEU 177 Cb 0.28 -0.32 0.41 0.00 -2.33 0.00 0.00 43.42 41.46 1x29 n LEU 177 CO 0.27 0.66 0.86 -1.13 -1.33 0.00 0.00 177.39 176.72 1x29 h ASN 178 N 2.99 0.12 0.31 -1.43 -0.73 -1.39 -2.35 115.58 113.11 1x29 h ASN 178 Ca 0.00 -0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.14 1x29 h ASN 178 Cb 0.68 -0.03 0.00 0.00 0.27 0.00 0.00 38.32 39.24 1x29 h ASN 178 CO 0.00 0.33 -0.09 -0.62 -0.37 0.00 0.00 177.43 176.68 1x29 n GLU 179 N -4.25 0.78 -2.40 6.67 4.71 -1.26 -4.80 120.64 120.09 1x29 n GLU 179 Ca -0.01 -0.26 -0.43 0.00 -0.01 0.00 0.00 57.16 56.45 1x29 n GLU 179 Cb 0.29 -1.49 -0.02 0.00 -1.01 0.00 0.00 31.44 29.20 1x29 n GLU 179 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1x29 s ALA 180 N -2.40 3.17 0.67 0.62 0.00 -0.89 -5.00 121.76 117.94 1x29 s ALA 180 Ca 0.31 -0.10 -0.09 0.00 0.00 0.00 0.00 51.96 52.08 1x29 s ALA 180 Cb 0.20 -3.88 0.02 0.00 0.00 0.00 0.00 23.12 19.46 1x29 s ALA 180 CO 0.45 -2.16 1.03 -0.65 0.00 0.00 0.00 175.76 174.43 1x29 s GLN 181 N 4.62 2.84 0.37 0.00 -0.21 -1.26 -4.96 119.66 121.06 1x29 s GLN 181 Ca 0.58 0.27 -0.28 0.00 0.02 0.00 0.00 55.36 55.94 1x29 s GLN 181 Cb -0.14 -2.11 -0.11 0.00 1.00 0.00 0.00 33.01 31.65 1x29 s GLN 181 CO 0.29 -0.93 1.49 0.00 -2.12 0.00 0.00 175.29 174.02 1x29 s ALA 182 N -3.23 3.59 0.00 6.09 0.00 -1.17 -1.11 121.76 125.92 1x29 s ALA 182 Ca 0.57 1.56 0.00 0.00 0.00 0.00 0.00 51.96 54.09 1x29 s ALA 182 Cb -0.11 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.40 1x29 s ALA 182 CO 0.49 -1.03 0.00 0.41 0.00 0.00 0.00 175.76 175.63 1x29 n GLY 183 N 0.63 3.01 3.80 0.00 0.00 -0.02 -4.97 105.19 107.64 1x29 n GLY 183 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.20 6.81 -0.13 1.61 1.11 -0.27 -4.59 116.67 120.01 1x29 s ASP 184 Ca 0.00 1.87 -0.14 0.00 0.18 0.00 0.00 52.55 54.46 1x29 s ASP 184 Cb 0.00 -2.56 -0.05 0.00 1.07 0.00 0.00 42.92 41.38 1x29 s ASP 184 CO 0.00 -0.45 0.33 -0.69 1.18 0.00 0.00 175.17 175.54 1x29 s VAL 185 N -1.88 5.26 -0.19 -1.27 1.01 -0.54 -1.02 120.40 121.76 1x29 s VAL 185 Ca 0.60 0.64 -0.01 0.00 0.00 0.00 0.00 61.98 63.21 1x29 s VAL 185 Cb -0.16 -3.66 0.01 0.00 0.00 0.00 0.00 36.38 32.56 1x29 s VAL 185 CO 0.21 0.42 -0.13 -0.69 0.00 0.00 0.00 175.10 174.91 1x29 s VAL 186 N 0.17 2.68 -0.05 2.92 1.01 -0.69 0.02 120.40 126.46 1x29 s VAL 186 Ca 0.19 -0.73 -0.24 0.00 0.00 0.00 0.00 61.98 61.20 1x29 s VAL 186 Cb -0.14 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 1x29 s VAL 186 CO 0.06 0.49 0.73 -0.22 0.00 0.00 0.00 175.10 176.16 1x29 s LEU 187 N 1.30 4.33 0.02 3.92 1.98 0.34 -1.15 118.68 129.42 1x29 s LEU 187 Ca 0.04 1.25 0.06 0.00 -2.89 0.00 0.00 54.13 52.59 1x29 s LEU 187 Cb -0.14 -3.13 -0.02 0.00 0.66 0.00 0.00 46.19 43.56 1x29 s LEU 187 CO -0.07 -0.12 -0.18 -0.36 -1.89 0.00 0.00 176.35 173.73 1x29 s PHE 188 N 0.74 1.55 -0.12 5.38 0.08 -0.16 -4.58 117.98 120.88 1x29 s PHE 188 Ca 0.39 -0.34 -0.20 0.00 0.12 0.00 0.00 56.93 56.90 1x29 s PHE 188 Cb -0.18 -0.95 -0.04 0.00 -0.57 0.00 0.00 43.02 41.28 1x29 s PHE 188 CO 0.19 0.03 0.55 -1.01 -0.10 0.00 0.00 175.22 174.89 1x29 s HIS 189 N -0.66 3.51 0.19 0.36 3.76 -1.26 -0.79 115.29 120.39 1x29 s HIS 189 Ca 0.06 0.98 -0.12 0.00 -0.15 0.00 0.00 55.06 55.82 1x29 s HIS 189 Cb -0.08 -2.65 0.19 0.00 1.11 0.00 0.00 32.58 31.15 1x29 s HIS 189 CO 0.01 0.09 1.74 0.78 -0.85 0.00 0.00 174.74 176.51 1x29 h GLY 190 N 6.96 0.67 -2.77 -2.22 0.00 -1.36 -3.47 103.07 100.89 1x29 h GLY 190 Ca -0.40 -0.09 0.15 0.00 0.00 0.00 0.00 47.33 47.00 1x29 h GLY 190 CO 0.76 -0.01 0.49 0.00 0.00 0.00 0.00 176.54 177.78 1x29 n HIS 193 N -3.95 0.87 -3.91 0.00 -0.00 -1.26 -4.71 115.22 102.25 1x29 n HIS 193 Ca -0.20 0.90 -0.36 0.00 0.46 0.00 0.00 57.72 58.53 1x29 n HIS 193 Cb 0.64 -2.17 -0.12 0.00 -0.12 0.00 0.00 29.99 28.23 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 0.07 5.18 0.00 0.26 3.84 -1.26 -0.06 114.94 122.96 1x29 s ASN 194 Ca 0.86 -0.14 0.23 0.00 0.21 0.00 0.00 52.86 54.02 1x29 s ASN 194 Cb -1.12 -1.91 0.47 0.00 -0.55 0.00 0.00 41.25 38.14 1x29 s ASN 194 CO 0.54 0.04 1.42 -0.81 -2.79 0.00 0.00 177.10 175.50 1x29 n PRO 195 N 4.43 2.55 0.12 0.43 -0.04 -1.26 -2.64 135.00 138.59 1x29 n PRO 195 Ca -0.16 -2.37 -0.00 0.00 -0.04 0.00 0.00 63.50 60.92 1x29 n PRO 195 Cb 0.52 -1.52 0.07 0.00 -0.04 0.00 0.00 33.50 32.53 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 4.40 1.23 0.00 0.52 1.35 -1.82 -3.31 112.91 115.28 1x29 h THR 196 Ca 0.00 -2.43 0.00 0.00 -0.55 0.00 0.00 66.41 63.43 1x29 h THR 196 Cb 0.99 2.40 0.00 0.00 -1.73 0.00 0.00 68.15 69.81 1x29 h THR 196 CO 0.00 0.64 0.00 0.61 -0.25 0.00 0.00 175.52 176.52 1x29 n GLY 197 N 0.89 0.70 3.58 5.82 0.00 0.91 -4.24 105.19 112.85 1x29 n GLY 197 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.99 5.30 0.22 -0.61 1.09 -1.26 0.09 121.20 123.04 1x29 s ILE 198 Ca 0.00 0.14 0.08 0.00 -1.10 0.00 0.00 60.65 59.77 1x29 s ILE 198 Cb 0.00 -3.55 -0.04 0.00 -1.06 0.00 0.00 42.46 37.81 1x29 s ILE 198 CO 0.00 0.22 0.02 -1.81 -0.10 0.00 0.00 174.94 173.28 1x29 s ASP 199 N 1.75 4.79 0.59 3.58 1.01 -1.26 -4.47 116.67 122.66 1x29 s ASP 199 Ca 0.07 -0.47 -0.16 0.00 0.71 0.00 0.00 52.55 52.70 1x29 s ASP 199 Cb -0.16 -1.00 -0.04 0.00 1.01 0.00 0.00 42.92 42.73 1x29 s ASP 199 CO 0.11 0.04 1.06 -2.84 0.21 0.00 0.00 175.17 173.74 1x29 s PRO 200 N -3.34 3.32 0.74 8.23 0.02 -1.26 -4.97 135.00 137.74 1x29 s PRO 200 Ca 0.30 1.20 -0.12 0.00 0.02 0.00 0.00 61.00 62.40 1x29 s PRO 200 Cb -0.08 -2.03 0.03 0.00 0.02 0.00 0.00 34.50 32.44 1x29 s PRO 200 CO 0.20 -0.81 1.12 0.95 -0.33 0.00 0.00 177.00 178.13 1x29 s THR 201 N -2.46 3.05 0.29 0.99 -4.23 -1.26 -4.79 115.64 107.23 1x29 s THR 201 Ca 0.63 0.34 0.01 0.00 -1.18 0.00 0.00 61.69 61.50 1x29 s THR 201 Cb -0.16 -3.33 0.29 0.00 1.34 0.00 0.00 72.50 70.63 1x29 s THR 201 CO 0.37 -0.44 1.86 0.25 -0.54 0.00 0.00 174.62 176.11 1x29 h LEU 202 N -0.78 0.92 -0.55 4.79 5.85 -1.99 0.48 115.31 124.03 1x29 h LEU 202 Ca -0.45 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.30 1x29 h LEU 202 Cb 1.28 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.13 1x29 h LEU 202 CO 0.64 0.52 0.32 1.05 -0.34 0.00 0.00 178.44 180.64 1x29 h GLU 203 N 1.00 0.76 -0.68 1.25 4.11 -1.99 -0.83 114.58 118.20 1x29 h GLU 203 Ca 0.47 -0.08 -0.07 0.00 0.07 0.00 0.00 59.36 59.75 1x29 h GLU 203 Cb 0.42 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 1x29 h GLU 203 CO -0.23 0.56 0.14 1.96 0.07 0.00 0.00 179.01 181.52 1x29 h GLN 204 N 0.74 1.10 -0.08 1.06 4.20 -1.48 -1.65 115.11 119.00 1x29 h GLN 204 Ca 0.20 -0.28 0.01 0.00 0.06 0.00 0.00 58.65 58.64 1x29 h GLN 204 Cb 0.01 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 1x29 h GLN 204 CO -0.04 0.99 0.03 -1.49 -0.67 0.00 0.00 178.83 177.65 1x29 h TRP 205 N 1.02 0.05 -0.99 2.96 -0.00 -0.61 -0.75 115.95 117.64 1x29 h TRP 205 Ca 0.21 0.00 0.08 0.00 -0.00 0.00 0.00 58.89 59.19 1x29 h TRP 205 Cb 0.40 -0.01 -0.07 0.00 -0.00 0.00 0.00 29.16 29.47 1x29 h TRP 205 CO 0.03 0.03 0.63 1.96 -0.00 0.00 0.00 178.44 181.09 1x29 h GLN 206 N 0.07 1.06 -0.26 0.49 4.20 -0.93 0.29 115.11 120.03 1x29 h GLN 206 Ca 0.03 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 1x29 h GLN 206 Cb 0.01 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.54 1x29 h GLN 206 CO -0.03 0.70 0.09 1.15 -0.67 0.00 0.00 178.83 180.07 1x29 h THR 207 N 1.10 1.19 -0.68 -0.54 2.02 -0.85 -1.78 112.91 113.37 1x29 h THR 207 Ca 0.45 -0.61 -0.05 0.00 0.77 0.00 0.00 66.41 66.96 1x29 h THR 207 Cb 0.27 1.10 -0.03 0.00 -1.74 0.00 0.00 68.15 67.75 1x29 h THR 207 CO -0.20 0.20 0.21 -0.07 0.37 0.00 0.00 175.52 176.03 1x29 h LEU 208 N 0.26 0.98 0.06 2.58 3.38 -0.12 -0.69 115.31 121.76 1x29 h LEU 208 Ca 0.09 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1x29 h LEU 208 Cb 0.23 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1x29 h LEU 208 CO -0.00 0.91 -0.07 0.00 0.09 0.00 0.00 178.44 179.37 1x29 h ALA 209 N 1.22 -0.12 0.03 1.53 0.00 -0.26 0.33 119.26 121.99 1x29 h ALA 209 Ca 0.22 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1x29 h ALA 209 Cb 0.29 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1x29 h ALA 209 CO -0.01 -0.58 -0.06 1.96 0.00 0.00 0.00 179.25 180.56 1x29 h GLN 210 N -0.15 -0.12 -0.88 0.00 4.20 -1.07 -1.77 115.11 115.31 1x29 h GLN 210 Ca 0.01 0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.79 1x29 h GLN 210 Cb 0.15 0.03 -0.06 0.00 0.30 0.00 0.00 27.48 27.89 1x29 h GLN 210 CO -0.02 -0.08 0.55 1.25 -0.67 0.00 0.00 178.83 179.86 1x29 h LEU 211 N -0.12 0.86 -0.16 1.46 5.85 -0.92 -2.00 115.31 120.28 1x29 h LEU 211 Ca 0.01 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.78 1x29 h LEU 211 Cb 0.14 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 1x29 h LEU 211 CO -0.04 0.55 -0.00 -1.28 -0.34 0.00 0.00 178.44 177.32 1x29 h SER 212 N 0.99 -0.06 -0.65 1.25 0.87 0.15 -1.04 113.55 115.06 1x29 h SER 212 Ca 0.39 0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.94 1x29 h SER 212 Cb 0.19 0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.18 1x29 h SER 212 CO -0.18 -0.01 0.25 -0.37 -0.53 0.00 0.00 176.83 175.99 1x29 h VAL 213 N 0.05 1.24 -0.43 2.23 -1.51 -0.84 -1.13 116.25 115.86 1x29 h VAL 213 Ca 0.07 -0.76 -0.07 0.00 -1.23 0.00 0.00 66.70 64.72 1x29 h VAL 213 Cb 0.09 0.52 -0.02 0.00 -2.13 0.00 0.00 31.29 29.75 1x29 h VAL 213 CO -0.12 0.30 -0.01 -0.33 -1.23 0.00 0.00 177.57 176.18 1x29 h GLU 214 N 0.92 0.69 0.00 5.19 5.08 -1.10 -2.83 114.58 122.53 1x29 h GLU 214 Ca 0.22 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1x29 h GLU 214 Cb 0.22 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1x29 h GLU 214 CO -0.02 0.71 -0.32 0.87 -1.00 0.00 0.00 179.01 179.26 1x29 h LYS 215 N 0.65 0.00 -0.15 2.33 1.79 -1.02 -3.48 116.57 116.69 1x29 h LYS 215 Ca 0.13 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.60 1x29 h LYS 215 Cb 0.42 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.07 1x29 h LYS 215 CO 0.02 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.80 1x29 n GLY 216 N 1.25 0.49 3.86 3.86 0.00 -0.47 -3.07 105.19 111.12 1x29 n GLY 216 Ca 0.04 -0.84 -0.31 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.15 3.54 -0.42 1.61 0.51 -0.97 -0.84 118.94 120.22 1x29 s TRP 217 Ca 0.00 1.34 -0.11 0.00 -2.12 0.00 0.00 56.10 55.21 1x29 s TRP 217 Cb 0.00 -2.72 0.06 0.00 -0.81 0.00 0.00 33.47 30.00 1x29 s TRP 217 CO 0.00 -0.50 0.27 -1.17 -0.51 0.00 0.00 176.95 175.04 1x29 s LEU 218 N -4.59 5.12 0.13 2.99 2.96 -0.19 -4.85 118.68 120.24 1x29 s LEU 218 Ca 0.56 -1.30 -0.30 0.00 -0.22 0.00 0.00 54.13 52.87 1x29 s LEU 218 Cb -0.10 -2.04 -0.07 0.00 0.50 0.00 0.00 46.19 44.47 1x29 s LEU 218 CO 0.42 -0.51 1.22 -2.84 -1.32 0.00 0.00 176.35 173.32 1x29 s PRO 219 N 1.51 4.45 -0.20 0.98 0.02 -1.26 -1.70 135.00 138.81 1x29 s PRO 219 Ca 0.03 1.85 0.01 0.00 0.02 0.00 0.00 61.00 62.91 1x29 s PRO 219 Cb -0.22 -3.28 0.05 0.00 0.02 0.00 0.00 34.50 31.06 1x29 s PRO 219 CO 0.05 -0.19 -0.08 -1.17 -0.33 0.00 0.00 177.00 175.27 1x29 s LEU 220 N 0.42 2.18 -0.14 -5.54 0.20 -0.30 -1.81 118.68 113.68 1x29 s LEU 220 Ca 0.56 -0.89 -0.11 0.00 0.69 0.00 0.00 54.13 54.38 1x29 s LEU 220 Cb -0.32 -1.15 -0.05 0.00 -0.43 0.00 0.00 46.19 44.24 1x29 s LEU 220 CO 0.33 -0.17 0.23 -0.36 -0.29 0.00 0.00 176.35 176.09 1x29 s PHE 221 N 1.45 3.51 -0.32 5.38 0.40 0.03 -0.98 117.98 127.45 1x29 s PHE 221 Ca -0.02 0.56 -0.07 0.00 -0.60 0.00 0.00 56.93 56.80 1x29 s PHE 221 Cb -0.16 -2.19 0.03 0.00 0.51 0.00 0.00 43.02 41.20 1x29 s PHE 221 CO -0.08 0.42 0.09 0.34 0.70 0.00 0.00 175.22 176.70 1x29 s ASP 222 N -0.11 5.22 -0.72 1.36 -1.08 0.03 0.08 116.67 121.45 1x29 s ASP 222 Ca 0.15 -0.96 0.01 0.00 -0.52 0.00 0.00 52.55 51.23 1x29 s ASP 222 Cb -0.13 -1.87 0.18 0.00 -1.46 0.00 0.00 42.92 39.64 1x29 s ASP 222 CO 0.03 -0.27 0.54 0.12 0.52 0.00 0.00 175.17 176.12 1x29 s PHE 223 N 1.44 3.59 -1.43 -5.34 5.36 0.84 -0.84 117.98 121.60 1x29 s PHE 223 Ca 0.00 -3.10 0.20 0.00 -0.96 0.00 0.00 56.93 53.08 1x29 s PHE 223 Cb -0.18 -3.00 -0.11 0.00 -0.34 0.00 0.00 43.02 39.39 1x29 s PHE 223 CO 0.03 -0.69 0.94 0.00 -1.46 0.00 0.00 175.22 174.03 1x29 n ALA 224 N 2.55 4.01 -2.08 11.12 0.00 -1.26 -1.73 120.51 133.12 1x29 n ALA 224 Ca 0.16 -0.59 0.05 0.00 0.00 0.00 0.00 53.44 53.06 1x29 n ALA 224 Cb 0.36 -0.73 0.09 0.00 0.00 0.00 0.00 19.45 19.18 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 -0.74 0.00 -1.66 0.00 4.01 -1.26 -4.56 117.16 112.95 1x29 n TYR 225 Ca 0.06 -0.87 -0.49 0.00 -0.16 0.00 0.00 57.90 56.44 1x29 n TYR 225 Cb 0.37 -0.18 -0.05 0.00 -0.31 0.00 0.00 39.34 39.17 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 -0.21 1.83 0.00 -0.72 7.27 -1.26 -0.98 117.38 123.31 1x29 n GLN 226 Ca 0.11 0.66 0.00 0.00 0.07 0.00 0.00 57.00 57.84 1x29 n GLN 226 Cb 0.93 -2.41 0.00 0.00 2.41 0.00 0.00 30.24 31.17 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 3.57 0.23 0.13 1.69 0.00 -1.25 -4.80 105.19 104.75 1x29 n GLY 227 Ca 0.20 0.00 0.12 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 -1.90 0.00 0.00 1.61 3.72 -0.15 -4.29 117.46 116.44 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 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 38.40 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 -1.08 0.00 -0.01 4.37 0.00 -1.26 -3.78 120.51 118.74 1x29 n ALA 229 Ca 0.08 -0.05 -0.02 0.00 0.00 0.00 0.00 53.44 53.45 1x29 n ALA 229 Cb 0.35 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.79 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 -1.52 0.05 0.00 0.00 1.74 -1.26 -4.88 116.66 110.80 1x29 n ARG 230 Ca 0.00 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 1x29 n ARG 230 Cb 0.00 -0.90 0.00 0.00 -1.02 0.00 0.00 32.46 30.54 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 3.23 0.18 0.36 -0.13 0.00 -1.26 -4.98 105.19 102.58 1x29 n GLY 231 Ca -0.04 -0.89 -0.14 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.96 -0.15 0.99 -0.00 -1.89 -0.31 115.31 112.99 1x29 h LEU 233 Ca 0.00 0.10 -0.04 0.00 -0.00 0.00 0.00 57.88 57.94 1x29 h LEU 233 Cb 0.00 0.35 -0.00 0.00 -0.00 0.00 0.00 40.66 41.01 1x29 h LEU 233 CO 0.00 -0.44 -0.05 -0.33 -0.00 0.00 0.00 178.44 177.62 1x29 h GLU 234 N -0.61 0.30 -0.77 1.13 4.39 -1.97 -3.20 114.58 113.85 1x29 h GLU 234 Ca 0.01 -0.12 0.02 0.00 0.34 0.00 0.00 59.36 59.62 1x29 h GLU 234 Cb 0.61 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.20 1x29 h GLU 234 CO -0.15 0.60 0.49 0.93 -1.16 0.00 0.00 179.01 179.71 1x29 h GLU 235 N -0.01 0.95 0.00 2.33 3.07 -1.93 -1.90 114.58 117.10 1x29 h GLU 235 Ca 0.04 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1x29 h GLU 235 Cb 0.49 -0.21 0.00 0.00 -0.84 0.00 0.00 28.75 28.19 1x29 h GLU 235 CO 0.02 0.63 0.00 -0.25 -1.40 0.00 0.00 179.01 178.01 1x29 n ASP 236 N -4.59 0.56 -0.92 1.42 9.92 -0.13 -2.20 116.55 120.60 1x29 n ASP 236 Ca 0.08 0.68 0.12 0.00 -0.53 0.00 0.00 54.79 55.14 1x29 n ASP 236 Cb 0.06 -0.78 0.21 0.00 -0.64 0.00 0.00 41.12 39.98 1x29 n ASP 236 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1x29 n ALA 237 N -1.74 2.47 -0.28 2.24 0.00 -0.72 -4.54 120.51 117.95 1x29 n ALA 237 Ca 0.01 -0.73 -0.03 0.00 0.00 0.00 0.00 53.44 52.69 1x29 n ALA 237 Cb 0.15 -0.90 0.08 0.00 0.00 0.00 0.00 19.45 18.78 1x29 n ALA 237 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1x29 h GLU 238 N 4.12 0.94 -0.07 0.00 5.08 -1.45 -1.87 114.58 121.33 1x29 h GLU 238 Ca 0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1x29 h GLU 238 Cb 0.89 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.92 1x29 h GLU 238 CO 0.00 0.62 0.04 0.78 -1.00 0.00 0.00 179.01 179.46 1x29 h GLY 239 N 0.97 0.10 0.85 -3.84 0.00 -1.83 -1.41 103.07 97.91 1x29 h GLY 239 Ca 0.30 -0.04 0.04 0.00 0.00 0.00 0.00 47.33 47.63 1x29 h GLY 239 CO -0.10 0.04 0.55 -2.00 0.00 0.00 0.00 176.54 175.03 1x29 h LEU 240 N 0.08 0.91 -1.20 3.11 5.85 -1.83 -1.80 115.31 120.43 1x29 h LEU 240 Ca 0.02 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1x29 h LEU 240 Cb 0.01 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 40.84 1x29 h LEU 240 CO -0.01 0.62 -0.09 0.03 -0.34 0.00 0.00 178.44 178.66 1x29 h ARG 241 N 1.06 0.00 -0.14 1.25 3.08 -1.11 0.15 114.38 118.67 1x29 h ARG 241 Ca 0.35 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 60.20 1x29 h ARG 241 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1x29 h ARG 241 CO -0.13 0.09 -0.72 0.00 -1.07 0.00 0.00 179.97 178.14 1x29 h ALA 242 N 1.91 0.46 -0.06 0.04 0.00 -0.39 -2.69 119.26 118.53 1x29 h ALA 242 Ca -0.00 -0.59 -0.06 0.00 0.00 0.00 0.00 54.91 54.27 1x29 h ALA 242 Cb 0.65 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1x29 h ALA 242 CO 0.01 0.71 -0.18 0.74 0.00 0.00 0.00 179.25 180.53 1x29 h PHE 243 N 0.45 0.30 -0.63 0.00 -1.00 -1.07 -3.19 116.94 111.80 1x29 h PHE 243 Ca -0.03 -0.12 0.14 0.00 2.81 0.00 0.00 57.97 60.76 1x29 h PHE 243 Cb 1.32 -0.05 -0.04 0.00 3.61 0.00 0.00 35.95 40.79 1x29 h PHE 243 CO 0.07 0.80 0.43 0.00 -1.61 0.00 0.00 178.31 177.99 1x29 h ALA 244 N 0.45 2.22 0.00 2.45 0.00 -0.74 0.51 119.26 124.15 1x29 h ALA 244 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1x29 h ALA 244 Cb 0.80 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1x29 h ALA 244 CO 0.04 -0.38 -0.19 0.00 0.00 0.00 0.00 179.25 178.72 1x29 n ALA 245 N -2.56 2.62 -0.11 0.00 0.00 -1.02 -3.94 120.51 115.50 1x29 n ALA 245 Ca 0.11 -0.14 -0.14 0.00 0.00 0.00 0.00 53.44 53.27 1x29 n ALA 245 Cb 0.51 -1.36 -0.13 0.00 0.00 0.00 0.00 19.45 18.47 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 -1.83 0.73 -3.47 0.00 0.00 0.81 -5.03 117.12 108.33 1x29 n MET 246 Ca 0.06 0.08 -0.22 0.00 0.00 0.00 0.00 57.70 57.62 1x29 n MET 246 Cb 0.38 -1.48 -0.01 0.00 0.00 0.00 0.00 33.22 32.11 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 -2.47 3.36 -0.16 1.12 3.76 0.14 -4.99 115.29 116.05 1x29 s HIS 247 Ca -0.24 0.13 -0.07 0.00 -0.15 0.00 0.00 55.06 54.73 1x29 s HIS 247 Cb 0.07 -1.91 -0.23 0.00 1.11 0.00 0.00 32.58 31.62 1x29 s HIS 247 CO 0.64 0.09 0.22 1.17 -0.85 0.00 0.00 174.74 176.00 1x29 n LYS 248 N -1.72 0.72 -4.23 1.40 3.00 -1.26 -4.89 118.16 111.17 1x29 n LYS 248 Ca -0.04 0.27 -0.19 0.00 -0.00 0.00 0.00 58.31 58.35 1x29 n LYS 248 Cb 0.57 -1.67 -0.12 0.00 0.00 0.00 0.00 35.03 33.81 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 -2.53 0.85 -0.10 1.64 2.02 -1.26 -2.74 118.70 116.58 1x29 s GLU 249 Ca -0.26 -0.88 -0.32 0.00 0.02 0.00 0.00 54.97 53.53 1x29 s GLU 249 Cb 0.07 -0.86 0.12 0.00 0.10 0.00 0.00 34.13 33.56 1x29 s GLU 249 CO 0.71 0.20 1.06 -0.48 0.02 0.00 0.00 175.26 176.77 1x29 s LEU 250 N -1.53 -0.24 0.02 1.80 0.05 -0.82 -4.51 118.68 113.44 1x29 s LEU 250 Ca -0.01 -0.00 0.06 0.00 0.05 0.00 0.00 54.13 54.23 1x29 s LEU 250 Cb -0.09 1.69 -0.02 0.00 -2.05 0.00 0.00 46.19 45.72 1x29 s LEU 250 CO 0.02 -0.42 -0.17 -0.63 -0.55 0.00 0.00 176.35 174.60 1x29 s ILE 251 N -2.75 1.37 -0.05 1.48 1.01 -0.75 -1.64 121.20 119.87 1x29 s ILE 251 Ca 0.07 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 59.78 1x29 s ILE 251 Cb -0.01 -1.18 0.02 0.00 0.01 0.00 0.00 42.46 41.30 1x29 s ILE 251 CO -0.07 0.21 -0.02 0.54 0.00 0.00 0.00 174.94 175.61 1x29 s VAL 252 N -0.65 0.40 -0.26 2.92 0.11 -0.48 -0.79 120.40 121.65 1x29 s VAL 252 Ca 0.05 -0.01 -0.06 0.00 -2.93 0.00 0.00 61.98 59.04 1x29 s VAL 252 Cb -0.08 -0.48 -0.00 0.00 -1.53 0.00 0.00 36.38 34.29 1x29 s VAL 252 CO 0.01 0.21 0.04 0.00 -3.33 0.00 0.00 175.10 172.03 1x29 s ALA 253 N 1.21 3.01 0.28 1.54 0.00 0.11 -0.50 121.76 127.40 1x29 s ALA 253 Ca -0.07 -1.31 0.12 0.00 0.00 0.00 0.00 51.96 50.70 1x29 s ALA 253 Cb -0.14 -2.00 -0.05 0.00 0.00 0.00 0.00 23.12 20.94 1x29 s ALA 253 CO -0.02 -0.69 -0.16 -1.54 0.00 0.00 0.00 175.76 173.35 1x29 s SER 254 N 1.51 3.77 0.01 0.00 1.04 -0.13 -0.11 113.70 119.79 1x29 s SER 254 Ca 0.04 -0.96 0.02 0.00 0.48 0.00 0.00 55.95 55.54 1x29 s SER 254 Cb -0.16 -0.40 -0.01 0.00 0.10 0.00 0.00 66.02 65.55 1x29 s SER 254 CO 0.01 0.03 -0.07 -0.55 0.98 0.00 0.00 173.24 173.64 1x29 s SER 255 N -3.54 0.81 0.00 7.02 0.15 -0.71 -1.64 113.70 115.80 1x29 s SER 255 Ca 0.30 -0.26 0.11 0.00 0.70 0.00 0.00 55.95 56.79 1x29 s SER 255 Cb -0.05 -0.04 0.28 0.00 -1.71 0.00 0.00 66.02 64.49 1x29 s SER 255 CO 0.16 -0.01 1.20 -1.22 1.20 0.00 0.00 173.24 174.57 1x29 n TYR 256 N 2.42 0.40 -0.18 3.44 4.01 -0.70 -4.69 117.16 121.86 1x29 n TYR 256 Ca -0.16 -0.44 -0.04 0.00 -0.16 0.00 0.00 57.90 57.10 1x29 n TYR 256 Cb 0.57 -0.02 0.06 0.00 -0.31 0.00 0.00 39.34 39.63 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 2.03 0.40 0.00 7.72 0.02 -1.85 -2.97 113.55 118.90 1x29 h SER 257 Ca 0.00 0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 60.91 1x29 h SER 257 Cb 0.70 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 1x29 h SER 257 CO 0.00 0.27 -0.58 0.11 -1.14 0.00 0.00 176.83 175.49 1x29 h LYS 258 N 0.53 0.00 0.00 3.45 6.56 -1.84 -1.21 116.57 124.06 1x29 h LYS 258 Ca 0.24 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.83 1x29 h LYS 258 Cb 0.15 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.81 1x29 h LYS 258 CO -0.17 0.46 0.00 0.27 -2.06 0.00 0.00 179.45 177.95 1x29 n ASN 259 N -4.59 0.00 0.00 0.86 2.04 -1.26 -1.86 115.26 110.45 1x29 n ASN 259 Ca -0.14 0.09 0.00 0.00 -0.44 0.00 0.00 54.58 54.08 1x29 n ASN 259 Cb 0.38 -0.22 0.00 0.00 -2.53 0.00 0.00 39.78 37.41 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 -1.22 0.00 -2.82 -2.53 3.72 -1.12 -4.85 117.46 108.65 1x29 n PHE 260 Ca 0.04 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.26 1x29 n PHE 260 Cb 0.05 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.62 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 0.36 -0.29 1.66 1.37 0.00 -0.78 -4.62 105.19 102.89 1x29 n GLY 261 Ca 0.00 -0.06 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.22 5.32 -0.21 0.99 4.77 -0.48 -4.81 117.00 119.36 1x29 n LEU 262 Ca -0.10 -3.84 -0.06 0.00 -0.03 0.00 0.00 56.01 51.99 1x29 n LEU 262 Cb 0.60 -0.72 -0.05 0.00 -2.33 0.00 0.00 43.42 40.93 1x29 n LEU 262 CO 0.37 1.27 0.34 -1.22 -1.33 0.00 0.00 177.39 176.82 1x29 n TYR 263 N -1.10 -0.23 1.88 -1.77 4.01 -1.11 -1.18 117.16 117.67 1x29 n TYR 263 Ca 0.45 0.64 0.13 0.00 -0.16 0.00 0.00 57.90 58.96 1x29 n TYR 263 Cb 1.21 -0.50 0.77 0.00 -0.31 0.00 0.00 39.34 40.51 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 -4.29 0.00 -0.09 7.72 0.23 -1.26 -3.04 115.26 114.54 1x29 n ASN 264 Ca 0.01 -1.07 0.12 0.00 -0.53 0.00 0.00 54.58 53.11 1x29 n ASN 264 Cb 0.13 0.00 0.19 0.00 -2.08 0.00 0.00 39.78 38.02 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 -0.93 0.26 -3.16 -3.83 -0.58 -0.33 -5.01 120.64 107.06 1x29 n GLU 265 Ca 0.20 -0.17 -0.09 0.00 -0.42 0.00 0.00 57.16 56.67 1x29 n GLU 265 Cb 0.09 -1.50 0.01 0.00 -0.57 0.00 0.00 31.44 29.47 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 -1.22 -1.67 -4.02 3.49 5.12 -1.17 -4.47 116.66 112.72 1x29 n ARG 266 Ca 0.07 1.53 -0.34 0.00 -1.93 0.00 0.00 57.85 57.18 1x29 n ARG 266 Cb 0.35 -4.90 -0.15 0.00 -1.16 0.00 0.00 32.46 26.60 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 -2.78 2.63 0.25 1.55 1.01 -1.26 -2.29 120.40 119.51 1x29 s VAL 267 Ca 0.09 -0.82 -0.06 0.00 0.00 0.00 0.00 61.98 61.19 1x29 s VAL 267 Cb -0.02 -2.19 0.02 0.00 0.00 0.00 0.00 36.38 34.19 1x29 s VAL 267 CO 0.79 0.43 0.44 0.61 0.00 0.00 0.00 175.10 177.37 1x29 n GLY 268 N 4.68 1.80 3.40 4.51 0.00 -0.55 -1.72 105.19 117.31 1x29 n GLY 268 Ca -0.19 -1.33 -0.15 0.00 0.00 0.00 0.00 46.02 44.35 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 -2.02 -1.29 -0.24 4.61 0.00 -0.65 -0.89 121.76 121.29 1x29 s ALA 269 Ca 0.15 1.13 0.01 0.00 0.00 0.00 0.00 51.96 53.25 1x29 s ALA 269 Cb -0.02 -0.39 0.04 0.00 0.00 0.00 0.00 23.12 22.75 1x29 s ALA 269 CO 0.11 -0.28 -0.11 0.00 0.00 0.00 0.00 175.76 175.47 1x29 s THR 271 N 1.22 4.25 -0.16 0.00 2.01 0.34 -1.42 115.64 121.88 1x29 s THR 271 Ca -0.03 -0.20 -0.08 0.00 0.31 0.00 0.00 61.69 61.69 1x29 s THR 271 Cb -0.17 -2.96 -0.04 0.00 0.01 0.00 0.00 72.50 69.33 1x29 s THR 271 CO -0.07 0.38 0.11 -0.22 -0.69 0.00 0.00 174.62 174.14 1x29 s LEU 272 N 1.27 4.17 -0.10 4.42 0.20 0.23 -1.38 118.68 127.50 1x29 s LEU 272 Ca 0.04 0.29 0.01 0.00 0.69 0.00 0.00 54.13 55.16 1x29 s LEU 272 Cb -0.15 -2.05 0.02 0.00 -0.43 0.00 0.00 46.19 43.59 1x29 s LEU 272 CO 0.03 0.27 -0.11 -0.69 -0.29 0.00 0.00 176.35 175.56 1x29 s VAL 273 N -0.21 1.21 0.48 1.68 1.01 -0.65 -1.28 120.40 122.64 1x29 s VAL 273 Ca 0.10 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.65 1x29 s VAL 273 Cb -0.12 -1.15 -0.02 0.00 0.00 0.00 0.00 36.38 35.09 1x29 s VAL 273 CO 0.01 0.39 0.03 0.00 0.00 0.00 0.00 175.10 175.52 1x29 s ALA 274 N 1.21 3.83 0.32 5.51 0.00 -0.71 -1.95 121.76 129.97 1x29 s ALA 274 Ca -0.03 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.26 1x29 s ALA 274 Cb -0.14 0.17 0.54 0.00 0.00 0.00 0.00 23.12 23.69 1x29 s ALA 274 CO -0.03 -0.09 1.98 0.00 0.00 0.00 0.00 175.76 177.62 1x29 h ALA 275 N 1.46 1.49 -2.84 0.00 0.00 -1.83 -3.44 119.26 114.10 1x29 h ALA 275 Ca -0.42 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 1x29 h ALA 275 Cb 1.30 -0.29 -0.09 0.00 0.00 0.00 0.00 17.79 18.71 1x29 h ALA 275 CO 0.72 0.46 -0.09 0.16 0.00 0.00 0.00 179.25 180.50 1x29 s ASP 276 N -6.34 -0.11 0.22 0.00 1.47 -1.26 -4.99 116.67 105.65 1x29 s ASP 276 Ca -0.11 -0.87 -0.08 0.00 1.18 0.00 0.00 52.55 52.67 1x29 s ASP 276 Cb 0.18 0.59 0.32 0.00 -0.34 0.00 0.00 42.92 43.67 1x29 s ASP 276 CO 0.78 -1.14 1.73 -1.28 0.68 0.00 0.00 175.17 175.95 1x29 h SER 277 N 2.24 0.20 -0.76 2.11 0.87 -1.74 -1.90 113.55 114.57 1x29 h SER 277 Ca -0.26 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 1x29 h SER 277 Cb 1.25 0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 63.25 1x29 h SER 277 CO 0.35 0.11 0.48 -0.08 -0.53 0.00 0.00 176.83 177.16 1x29 h GLU 278 N 0.40 1.01 -0.20 2.24 4.22 -1.95 -1.59 114.58 118.71 1x29 h GLU 278 Ca 0.34 -0.08 -0.09 0.00 0.08 0.00 0.00 59.36 59.61 1x29 h GLU 278 Cb 0.45 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 1x29 h GLU 278 CO -0.35 0.70 -0.23 1.15 -2.18 0.00 0.00 179.01 178.10 1x29 h THR 279 N 1.03 1.33 -0.54 0.32 2.02 -1.84 -2.61 112.91 112.62 1x29 h THR 279 Ca 0.27 -1.42 -0.07 0.00 0.77 0.00 0.00 66.41 65.97 1x29 h THR 279 Cb -0.07 1.80 -0.02 0.00 -1.74 0.00 0.00 68.15 68.12 1x29 h THR 279 CO -0.05 0.43 0.08 1.62 0.37 0.00 0.00 175.52 177.97 1x29 h VAL 280 N 0.17 1.25 -0.72 3.16 3.04 -1.28 -0.91 116.25 120.96 1x29 h VAL 280 Ca 0.03 -0.97 -0.03 0.00 -1.01 0.00 0.00 66.70 64.71 1x29 h VAL 280 Cb 0.79 0.83 -0.03 0.00 -2.01 0.00 0.00 31.29 30.86 1x29 h VAL 280 CO 0.06 0.35 0.32 0.44 -1.01 0.00 0.00 177.57 177.73 1x29 h ASP 281 N 0.79 0.97 0.00 3.17 3.32 -1.34 0.48 116.42 123.82 1x29 h ASP 281 Ca 0.16 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 1x29 h ASP 281 Cb 0.42 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1x29 h ASP 281 CO 0.01 0.85 -0.00 -0.09 -1.72 0.00 0.00 179.24 178.29 1x29 h ARG 282 N 1.02 -0.00 -0.67 3.56 2.43 -1.22 -2.07 114.38 117.43 1x29 h ARG 282 Ca 0.25 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.36 1x29 h ARG 282 Cb 0.16 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 1x29 h ARG 282 CO -0.03 0.10 0.19 0.00 -1.51 0.00 0.00 179.97 178.73 1x29 h ALA 283 N 0.89 1.09 -0.14 2.80 0.00 -0.90 -2.75 119.26 120.26 1x29 h ALA 283 Ca -0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 1x29 h ALA 283 Cb 0.10 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1x29 h ALA 283 CO 0.00 0.62 -0.12 0.35 0.00 0.00 0.00 179.25 180.10 1x29 h PHE 284 N 0.99 0.22 0.00 0.00 3.57 0.16 -1.82 116.94 120.06 1x29 h PHE 284 Ca 0.22 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.65 1x29 h PHE 284 Cb 0.30 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 1x29 h PHE 284 CO 0.02 0.33 -0.20 0.66 -2.23 0.00 0.00 178.31 176.89 1x29 h SER 285 N 0.20 0.00 1.14 0.41 4.64 -1.06 -0.09 113.55 118.79 1x29 h SER 285 Ca 0.04 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.20 1x29 h SER 285 Cb 0.34 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.40 1x29 h SER 285 CO 0.02 0.20 -0.79 1.56 -0.87 0.00 0.00 176.83 176.95 1x29 h GLN 286 N 0.00 0.00 -0.36 4.77 1.08 -1.39 -2.51 115.11 116.69 1x29 h GLN 286 Ca -0.00 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.08 1x29 h GLN 286 Cb 0.37 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.79 1x29 h GLN 286 CO 0.03 0.79 -0.23 1.98 -0.95 0.00 0.00 178.83 180.45 1x29 h MET 287 N 0.00 0.80 -0.40 1.46 4.05 -0.62 -2.29 114.93 117.92 1x29 h MET 287 Ca -0.01 -0.37 -0.03 0.00 -0.28 0.00 0.00 59.70 59.01 1x29 h MET 287 Cb 1.58 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 32.35 1x29 h MET 287 CO 0.10 1.00 0.14 0.87 0.23 0.00 0.00 176.91 179.26 1x29 h LYS 288 N 0.59 0.58 -0.80 0.39 1.57 -1.06 -0.98 116.57 116.86 1x29 h LYS 288 Ca 0.07 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1x29 h LYS 288 Cb 0.80 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.96 1x29 h LYS 288 CO 0.06 0.50 0.39 0.00 -0.57 0.00 0.00 179.45 179.84 1x29 h ALA 289 N 1.58 1.19 -0.49 3.86 0.00 -1.17 -0.25 119.26 123.98 1x29 h ALA 289 Ca 0.14 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1x29 h ALA 289 Cb 0.15 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1x29 h ALA 289 CO -0.01 0.62 -0.14 0.00 0.00 0.00 0.00 179.25 179.72 1x29 h ALA 290 N 1.30 0.82 -0.40 0.00 0.00 -0.65 -2.78 119.26 117.55 1x29 h ALA 290 Ca 0.28 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1x29 h ALA 290 Cb 0.09 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1x29 h ALA 290 CO -0.04 0.65 -0.12 0.82 0.00 0.00 0.00 179.25 180.57 1x29 h ILE 291 N 0.83 1.28 -0.76 0.00 2.04 -0.80 -3.03 117.51 117.06 1x29 h ILE 291 Ca 0.13 -1.22 0.07 0.00 1.00 0.00 0.00 64.86 64.83 1x29 h ILE 291 Cb 0.69 1.23 -0.05 0.00 -0.74 0.00 0.00 36.82 37.95 1x29 h ILE 291 CO 0.05 0.41 0.50 -0.09 0.00 0.00 0.00 178.15 179.02 1x29 h ARG 292 N 0.60 0.76 -0.07 2.37 9.65 -0.93 -0.37 114.38 126.38 1x29 h ARG 292 Ca 0.10 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.93 1x29 h ARG 292 Cb 0.65 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 29.06 1x29 h ARG 292 CO 0.04 0.50 0.00 0.00 2.80 0.00 0.00 179.97 183.32 1x29 n ALA 293 N -2.44 2.58 -0.83 2.80 0.00 -1.06 -3.41 120.51 118.14 1x29 n ALA 293 Ca 0.12 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1x29 n ALA 293 Cb 0.25 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 -0.12 0.00 -0.07 0.00 2.85 -0.23 -4.93 115.26 112.76 1x29 n ASN 294 Ca 0.18 0.00 0.01 0.00 -0.11 0.00 0.00 54.58 54.65 1x29 n ASN 294 Cb 0.25 -0.04 0.02 0.00 1.24 0.00 0.00 39.78 41.24 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 -1.47 0.04 0.00 1.20 0.18 -0.71 -5.04 117.16 111.37 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 -0.04 0.00 0.00 -0.38 0.00 0.00 39.34 38.92 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 -0.34 0.00 -3.57 9.48 2.88 -0.77 -4.73 113.62 116.57 1x29 n SER 296 Ca 0.01 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.39 1x29 n SER 296 Cb 0.24 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.64 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 -0.52 0.52 -3.46 2.20 -1.26 -4.27 114.94 108.14 1x29 s ASN 297 Ca 0.00 0.44 -0.21 0.00 -0.94 0.00 0.00 52.86 52.16 1x29 s ASN 297 Cb 0.00 0.49 -0.06 0.00 -2.00 0.00 0.00 41.25 39.68 1x29 s ASN 297 CO 0.00 -0.62 1.16 -2.16 -2.94 0.00 0.00 177.10 172.53 1x29 s PRO 298 N -1.64 3.46 0.19 3.55 0.04 -1.26 -5.01 135.00 134.33 1x29 s PRO 298 Ca -0.10 1.71 -0.31 0.00 0.04 0.00 0.00 61.00 62.35 1x29 s PRO 298 Cb -0.01 -2.15 -0.09 0.00 0.04 0.00 0.00 34.50 32.29 1x29 s PRO 298 CO 0.05 -0.79 1.45 -1.25 0.04 0.00 0.00 177.00 176.50 1x29 s PRO 299 N -3.07 4.28 -0.03 0.56 0.04 -1.26 -4.81 135.00 130.71 1x29 s PRO 299 Ca 0.70 2.24 -0.22 0.00 0.04 0.00 0.00 61.00 63.76 1x29 s PRO 299 Cb -0.27 -3.16 -0.16 0.00 0.04 0.00 0.00 34.50 30.96 1x29 s PRO 299 CO 0.31 -0.46 0.97 0.00 0.04 0.00 0.00 177.00 177.86 1x29 h ALA 300 N 5.95 -0.29 -0.83 8.56 0.00 -1.95 -3.39 119.26 127.31 1x29 h ALA 300 Ca -0.44 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 54.34 1x29 h ALA 300 Cb 1.21 0.11 -0.10 0.00 0.00 0.00 0.00 17.79 19.01 1x29 h ALA 300 CO 0.83 -0.39 -0.52 1.25 0.00 0.00 0.00 179.25 180.42 1x29 h HIS 301 N -0.84 -1.67 -0.14 0.00 -0.00 -1.93 0.13 115.15 110.70 1x29 h HIS 301 Ca -0.03 0.11 0.04 0.00 -0.00 0.00 0.00 60.37 60.49 1x29 h HIS 301 Cb 0.51 0.84 -0.05 0.00 -0.00 0.00 0.00 27.41 28.72 1x29 h HIS 301 CO 0.06 -0.34 -0.13 0.78 -0.00 0.00 0.00 177.93 178.30 1x29 h GLY 302 N -0.04 -0.04 1.63 5.26 0.00 -1.79 -1.50 103.07 106.59 1x29 h GLY 302 Ca 0.13 0.16 -0.05 0.00 0.00 0.00 0.00 47.33 47.58 1x29 h GLY 302 CO -0.80 -0.14 -0.02 0.00 0.00 0.00 0.00 176.54 175.58 1x29 h ALA 303 N 0.93 1.41 -0.37 3.60 0.00 -1.65 -2.26 119.26 120.92 1x29 h ALA 303 Ca 0.10 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1x29 h ALA 303 Cb 0.29 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1x29 h ALA 303 CO -0.24 0.41 0.09 0.77 0.00 0.00 0.00 179.25 180.29 1x29 h SER 304 N 0.45 0.56 -0.09 0.00 0.02 -0.30 -0.89 113.55 113.31 1x29 h SER 304 Ca 0.10 -0.23 0.04 0.00 -0.84 0.00 0.00 61.79 60.85 1x29 h SER 304 Cb 0.32 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.67 1x29 h SER 304 CO 0.01 0.65 -0.15 0.58 -1.14 0.00 0.00 176.83 176.78 1x29 h VAL 305 N 0.45 0.60 -0.41 2.27 2.07 -0.88 -0.26 116.25 120.09 1x29 h VAL 305 Ca 0.12 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.63 1x29 h VAL 305 Cb 0.31 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1x29 h VAL 305 CO 0.00 0.00 0.22 0.58 0.02 0.00 0.00 177.57 178.39 1x29 h VAL 306 N -0.21 1.16 -0.60 2.57 2.07 -1.25 -1.32 116.25 118.66 1x29 h VAL 306 Ca 0.08 -0.43 -0.04 0.00 0.82 0.00 0.00 66.70 67.13 1x29 h VAL 306 Cb 0.32 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1x29 h VAL 306 CO -0.21 0.17 0.21 0.00 0.02 0.00 0.00 177.57 177.76 1x29 h ALA 307 N 1.07 1.25 -0.16 1.67 0.00 -0.95 -0.46 119.26 121.67 1x29 h ALA 307 Ca 0.14 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1x29 h ALA 307 Cb 0.08 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1x29 h ALA 307 CO -0.02 0.54 0.06 1.15 0.00 0.00 0.00 179.25 180.98 1x29 h THR 308 N 0.87 1.17 -0.15 0.00 2.02 -0.67 -1.33 112.91 114.82 1x29 h THR 308 Ca 0.20 -0.50 -0.02 0.00 0.77 0.00 0.00 66.41 66.86 1x29 h THR 308 Cb 0.21 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1x29 h THR 308 CO -0.01 0.16 0.02 0.40 0.37 0.00 0.00 175.52 176.45 1x29 h ILE 309 N 0.10 1.22 0.00 3.11 2.04 -0.97 -1.60 117.51 121.41 1x29 h ILE 309 Ca 0.05 -0.72 -0.05 0.00 1.00 0.00 0.00 64.86 65.15 1x29 h ILE 309 Cb 0.19 1.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 1x29 h ILE 309 CO -0.00 0.21 -0.23 -0.07 0.00 0.00 0.00 178.15 178.06 1x29 h LEU 310 N 0.02 0.00 0.07 1.44 4.07 -1.11 -2.77 115.31 117.03 1x29 h LEU 310 Ca 0.04 0.00 -0.25 0.00 0.08 0.00 0.00 57.88 57.75 1x29 h LEU 310 Cb 0.31 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.04 1x29 h LEU 310 CO 0.00 0.23 -1.17 0.28 -1.08 0.00 0.00 178.44 176.70 1x29 h SER 311 N 0.00 0.24 -3.55 -0.43 0.02 -1.09 -3.44 113.55 105.29 1x29 h SER 311 Ca -0.00 -0.26 -0.63 0.00 -0.84 0.00 0.00 61.79 60.06 1x29 h SER 311 Cb 0.43 -0.08 -0.13 0.00 0.14 0.00 0.00 62.40 62.76 1x29 h SER 311 CO 0.03 1.21 0.18 0.21 -1.14 0.00 0.00 176.83 177.32 1x29 s ASN 312 N -6.93 6.45 0.33 3.07 3.04 -0.62 -4.96 114.94 115.33 1x29 s ASN 312 Ca -0.02 0.21 0.06 0.00 0.04 0.00 0.00 52.86 53.15 1x29 s ASN 312 Cb 0.08 -2.34 0.71 0.00 -1.54 0.00 0.00 41.25 38.16 1x29 s ASN 312 CO 0.85 -0.60 1.86 0.44 -3.04 0.00 0.00 177.10 176.62 1x29 h ASP 313 N 8.43 0.76 -0.27 -4.21 5.19 -1.85 0.18 116.42 124.64 1x29 h ASP 313 Ca -0.26 0.04 -0.11 0.00 -0.62 0.00 0.00 57.03 56.08 1x29 h ASP 313 Cb 1.11 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 40.50 1x29 h ASP 313 CO 0.84 0.40 -0.24 0.00 -3.12 0.00 0.00 179.24 177.13 1x29 h ALA 314 N 1.58 0.40 -0.31 3.45 0.00 -1.92 -2.66 119.26 119.79 1x29 h ALA 314 Ca 0.46 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 1x29 h ALA 314 Cb 0.59 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1x29 h ALA 314 CO -0.22 0.37 -0.18 -0.07 0.00 0.00 0.00 179.25 179.15 1x29 h LEU 315 N 0.38 0.70 -1.19 0.00 4.07 -1.66 -3.09 115.31 114.52 1x29 h LEU 315 Ca 0.05 -0.42 0.03 0.00 0.08 0.00 0.00 57.88 57.61 1x29 h LEU 315 Cb 0.79 -0.19 -0.05 0.00 1.08 0.00 0.00 40.66 42.29 1x29 h LEU 315 CO 0.06 0.97 0.55 -0.09 -1.08 0.00 0.00 178.44 178.86 1x29 h ARG 316 N 0.43 1.04 -0.65 1.13 9.65 -0.39 -0.94 114.38 124.65 1x29 h ARG 316 Ca 0.07 -0.06 -0.06 0.00 -1.10 0.00 0.00 59.98 58.83 1x29 h ARG 316 Cb 0.72 -0.24 -0.03 0.00 -1.39 0.00 0.00 29.97 29.04 1x29 h ARG 316 CO 0.05 0.69 0.19 0.00 2.80 0.00 0.00 179.97 183.70 1x29 h ALA 317 N 1.50 0.86 -0.04 2.80 0.00 -1.42 0.13 119.26 123.08 1x29 h ALA 317 Ca 0.33 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1x29 h ALA 317 Cb -0.02 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 1x29 h ALA 317 CO -0.09 0.55 0.01 0.82 0.00 0.00 0.00 179.25 180.54 1x29 h ILE 318 N 0.95 1.18 -0.06 0.00 2.04 -1.33 -2.45 117.51 117.85 1x29 h ILE 318 Ca 0.21 -0.54 0.03 0.00 1.00 0.00 0.00 64.86 65.56 1x29 h ILE 318 Cb 0.32 1.46 -0.04 0.00 -0.74 0.00 0.00 36.82 37.83 1x29 h ILE 318 CO -0.00 0.15 -0.14 -0.25 0.00 0.00 0.00 178.15 177.90 1x29 h TRP 319 N -0.14 -0.36 -0.55 1.37 7.01 -0.96 -0.46 115.95 121.85 1x29 h TRP 319 Ca 0.01 0.02 0.13 0.00 2.11 0.00 0.00 58.89 61.15 1x29 h TRP 319 Cb 0.23 0.17 -0.03 0.00 -2.10 0.00 0.00 29.16 27.43 1x29 h TRP 319 CO 0.00 -0.21 0.38 0.93 -2.79 0.00 0.00 178.44 176.75 1x29 h GLU 320 N -0.21 0.18 -0.11 2.65 5.08 -0.94 0.10 114.58 121.34 1x29 h GLU 320 Ca 0.07 -0.01 -0.23 0.00 -1.00 0.00 0.00 59.36 58.19 1x29 h GLU 320 Cb 0.30 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.52 1x29 h GLU 320 CO -0.18 0.12 -0.83 0.37 -1.00 0.00 0.00 179.01 177.49 1x29 h GLN 321 N 0.18 0.70 -0.25 2.33 5.75 -0.75 -2.25 115.11 120.83 1x29 h GLN 321 Ca 0.26 -0.62 -0.08 0.00 -0.15 0.00 0.00 58.65 58.07 1x29 h GLN 321 Cb 0.77 0.14 -0.01 0.00 1.07 0.00 0.00 27.48 29.45 1x29 h GLN 321 CO -0.04 1.22 -0.18 0.93 -2.65 0.00 0.00 178.83 178.11 1x29 h GLU 322 N 0.46 0.44 -0.41 1.69 5.08 0.61 -1.56 114.58 120.89 1x29 h GLU 322 Ca -0.07 -0.14 -0.11 0.00 -1.00 0.00 0.00 59.36 58.05 1x29 h GLU 322 Cb 1.46 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.66 1x29 h GLU 322 CO 0.16 0.61 -0.17 1.25 -1.00 0.00 0.00 179.01 179.86 1x29 h LEU 323 N 0.40 0.86 -0.63 1.33 5.85 -0.83 -2.19 115.31 120.10 1x29 h LEU 323 Ca 0.07 -0.39 0.02 0.00 0.84 0.00 0.00 57.88 58.41 1x29 h LEU 323 Cb 0.54 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 1x29 h LEU 323 CO 0.04 1.06 0.40 0.74 -0.34 0.00 0.00 178.44 180.34 1x29 h THR 324 N 0.65 1.13 -0.76 1.05 2.02 -1.06 -0.96 112.91 114.98 1x29 h THR 324 Ca 0.09 -0.28 -0.05 0.00 0.77 0.00 0.00 66.41 66.95 1x29 h THR 324 Cb 0.72 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.34 1x29 h THR 324 CO 0.05 0.15 0.29 0.44 0.37 0.00 0.00 175.52 176.82 1x29 h ASP 325 N 0.81 1.07 -0.22 4.18 3.32 -1.11 -0.40 116.42 124.08 1x29 h ASP 325 Ca 0.24 -0.18 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 1x29 h ASP 325 Cb -0.05 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.22 1x29 h ASP 325 CO -0.07 0.96 0.02 0.24 -1.72 0.00 0.00 179.24 178.67 1x29 h MET 326 N 1.11 0.37 -0.52 3.56 2.86 -1.03 -1.16 114.93 120.11 1x29 h MET 326 Ca 0.25 -0.10 0.05 0.00 -2.06 0.00 0.00 59.70 57.84 1x29 h MET 326 Cb 0.24 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.81 1x29 h MET 326 CO -0.02 0.53 0.26 -0.09 1.06 0.00 0.00 176.91 178.65 1x29 h ARG 327 N 0.15 0.49 -0.30 1.72 2.43 -0.87 -2.40 114.38 115.60 1x29 h ARG 327 Ca 0.06 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.09 1x29 h ARG 327 Cb 0.35 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1x29 h ARG 327 CO 0.01 0.32 -0.30 1.96 -1.51 0.00 0.00 179.97 180.45 1x29 h GLN 328 N 0.50 0.63 -0.33 0.20 4.20 -0.97 -2.50 115.11 116.85 1x29 h GLN 328 Ca 0.23 -0.28 -0.05 0.00 0.06 0.00 0.00 58.65 58.61 1x29 h GLN 328 Cb 0.15 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 1x29 h GLN 328 CO -0.17 0.86 -0.03 -0.09 -0.67 0.00 0.00 178.83 178.73 1x29 h ARG 329 N 0.54 0.52 -0.14 1.46 2.43 -0.83 -0.13 114.38 118.24 1x29 h ARG 329 Ca 0.07 -0.12 -0.03 0.00 -0.81 0.00 0.00 59.98 59.08 1x29 h ARG 329 Cb 0.78 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.26 1x29 h ARG 329 CO 0.06 0.57 -0.05 0.82 -1.51 0.00 0.00 179.97 179.86 1x29 h ILE 330 N 0.50 1.30 -0.67 1.20 2.04 -1.24 -0.58 117.51 120.05 1x29 h ILE 330 Ca 0.10 -1.05 -0.02 0.00 1.00 0.00 0.00 64.86 64.90 1x29 h ILE 330 Cb 0.37 1.72 -0.03 0.00 -0.74 0.00 0.00 36.82 38.13 1x29 h ILE 330 CO 0.01 0.30 0.34 1.56 0.00 0.00 0.00 178.15 180.37 1x29 h GLN 331 N -0.05 0.94 0.01 2.37 4.20 -1.18 0.22 115.11 121.62 1x29 h GLN 331 Ca 0.03 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 1x29 h GLN 331 Cb 0.50 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.10 1x29 h GLN 331 CO 0.02 0.71 -0.00 -0.09 -0.67 0.00 0.00 178.83 178.80 1x29 h ARG 332 N 0.95 -0.01 -0.04 1.46 9.65 -0.88 -2.01 114.38 123.49 1x29 h ARG 332 Ca 0.24 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 59.09 1x29 h ARG 332 Cb 0.06 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.64 1x29 h ARG 332 CO -0.03 0.02 -0.10 0.52 2.80 0.00 0.00 179.97 183.18 1x29 h MET 333 N -0.04 0.06 -0.38 0.20 2.86 -0.44 -1.89 114.93 115.30 1x29 h MET 333 Ca -0.00 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1x29 h MET 333 Cb 0.04 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 1x29 h MET 333 CO 0.00 0.17 0.18 0.00 1.06 0.00 0.00 176.91 178.32 1x29 h ARG 334 N 0.06 0.54 -0.40 1.72 3.08 -0.26 0.25 114.38 119.37 1x29 h ARG 334 Ca 0.01 -0.08 -0.10 0.00 0.07 0.00 0.00 59.98 59.88 1x29 h ARG 334 Cb 0.22 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1x29 h ARG 334 CO 0.01 0.48 -0.15 0.37 -1.07 0.00 0.00 179.97 179.62 1x29 h GLN 335 N 0.47 0.81 -0.39 0.04 5.75 -1.01 -2.74 115.11 118.05 1x29 h GLN 335 Ca 0.13 -0.34 -0.07 0.00 -0.15 0.00 0.00 58.65 58.23 1x29 h GLN 335 Cb 0.12 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.61 1x29 h GLN 335 CO -0.02 0.96 -0.04 1.25 -2.65 0.00 0.00 178.83 178.34 1x29 h LEU 336 N 0.63 0.60 -0.10 -2.39 5.85 -1.23 -1.01 115.31 117.66 1x29 h LEU 336 Ca 0.10 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 1x29 h LEU 336 Cb 0.69 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.56 1x29 h LEU 336 CO 0.05 0.70 0.04 0.15 -0.34 0.00 0.00 178.44 179.04 1x29 h PHE 337 N 0.59 0.16 -0.67 1.25 3.57 -0.84 -0.28 116.94 120.73 1x29 h PHE 337 Ca 0.12 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.52 1x29 h PHE 337 Cb 0.43 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.10 1x29 h PHE 337 CO 0.02 0.27 0.11 0.28 -2.23 0.00 0.00 178.31 176.75 1x29 h VAL 338 N 0.01 1.26 -0.37 1.41 2.07 -1.29 -2.07 116.25 117.27 1x29 h VAL 338 Ca 0.03 -1.04 -0.04 0.00 0.82 0.00 0.00 66.70 66.47 1x29 h VAL 338 Cb 0.18 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1x29 h VAL 338 CO -0.00 0.39 0.06 0.78 0.02 0.00 0.00 177.57 178.82 1x29 h ASN 339 N 1.03 0.59 0.18 0.57 2.35 -1.05 -2.98 115.58 116.28 1x29 h ASN 339 Ca 0.20 -0.26 -0.09 0.00 -0.55 0.00 0.00 56.30 55.60 1x29 h ASN 339 Cb 0.45 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 1x29 h ASN 339 CO 0.01 0.70 -0.34 0.74 -1.65 0.00 0.00 177.43 176.89 1x29 h THR 340 N 0.46 1.28 -0.74 2.81 2.02 -0.96 -1.27 112.91 116.50 1x29 h THR 340 Ca 0.11 -1.36 -0.01 0.00 0.77 0.00 0.00 66.41 65.93 1x29 h THR 340 Cb 0.36 1.57 -0.04 0.00 -1.74 0.00 0.00 68.15 68.30 1x29 h THR 340 CO 0.01 0.41 0.41 -0.07 0.37 0.00 0.00 175.52 176.65 1x29 h LEU 341 N 0.21 0.92 0.52 2.58 3.38 -1.28 0.23 115.31 121.87 1x29 h LEU 341 Ca 0.03 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1x29 h LEU 341 Cb 0.72 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 41.24 1x29 h LEU 341 CO 0.05 0.75 -0.25 1.56 0.09 0.00 0.00 178.44 180.64 1x29 h GLN 342 N 1.03 -0.67 -0.85 1.13 4.20 -1.34 -0.48 115.11 118.12 1x29 h GLN 342 Ca 0.26 0.05 0.21 0.00 0.06 0.00 0.00 58.65 59.23 1x29 h GLN 342 Cb 0.03 0.15 -0.15 0.00 0.30 0.00 0.00 27.48 27.81 1x29 h GLN 342 CO -0.04 -0.37 0.02 1.49 -0.67 0.00 0.00 178.83 179.26 1x29 h GLU 343 N -0.95 0.08 0.00 1.46 4.81 -0.96 0.52 114.58 119.54 1x29 h GLU 343 Ca -0.07 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1x29 h GLU 343 Cb 0.62 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.98 1x29 h GLU 343 CO 0.12 0.05 0.00 1.63 -0.73 0.00 0.00 179.01 180.08 1x29 n LYS 344 N -5.39 0.89 -0.74 1.92 4.01 0.77 -4.89 118.16 114.73 1x29 n LYS 344 Ca 0.17 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.97 1x29 n LYS 344 Cb 0.58 -1.28 0.00 0.00 -0.51 0.00 0.00 35.03 33.81 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 0.61 1.27 3.74 0.72 0.00 0.18 -4.97 105.19 106.75 1x29 n GLY 345 Ca 0.12 -0.27 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 1x29 n GLY 345 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x29 s ALA 346 N -2.13 3.39 -0.13 4.61 0.00 -0.21 -4.94 121.76 122.36 1x29 s ALA 346 Ca 0.00 0.19 0.21 0.00 0.00 0.00 0.00 51.96 52.36 1x29 s ALA 346 Cb 0.00 -2.93 -0.19 0.00 0.00 0.00 0.00 23.12 20.00 1x29 s ALA 346 CO 0.00 0.05 0.67 0.09 0.00 0.00 0.00 175.76 176.57 1x29 n ASN 347 N 3.03 0.40 -4.77 0.00 5.03 -1.26 -4.69 115.26 113.00 1x29 n ASN 347 Ca -0.03 0.16 -0.38 0.00 0.87 0.00 0.00 54.58 55.20 1x29 n ASN 347 Cb 0.51 1.12 -0.05 0.00 -1.02 0.00 0.00 39.78 40.34 1x29 n ASN 347 CO 0.00 0.00 0.00 -0.60 -1.83 0.00 0.00 177.26 174.83 1x29 s ARG 348 N -3.28 4.45 -0.25 3.52 3.52 -1.26 -5.00 118.95 120.64 1x29 s ARG 348 Ca -0.05 1.60 -0.22 0.00 -0.13 0.00 0.00 55.73 56.93 1x29 s ARG 348 Cb 0.11 -2.87 -0.01 0.00 -1.56 0.00 0.00 34.95 30.61 1x29 s ARG 348 CO 0.85 0.09 0.72 0.34 -0.81 0.00 0.00 175.30 176.49 1x29 s ASP 349 N -1.28 6.68 -0.15 -2.12 2.15 -1.26 -4.93 116.67 115.76 1x29 s ASP 349 Ca 0.51 0.83 0.15 0.00 0.43 0.00 0.00 52.55 54.47 1x29 s ASP 349 Cb -0.26 -2.38 0.55 0.00 -0.30 0.00 0.00 42.92 40.53 1x29 s ASP 349 CO 0.33 -0.44 1.46 0.49 -0.17 0.00 0.00 175.17 176.83 1x29 n PHE 350 N 5.86 1.07 -0.12 -5.34 3.01 -1.26 -4.66 117.46 116.02 1x29 n PHE 350 Ca 0.02 -0.76 0.15 0.00 1.01 0.00 0.00 57.45 57.88 1x29 n PHE 350 Cb 0.48 -0.28 0.53 0.00 -0.01 0.00 0.00 39.48 40.21 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 2.40 0.32 -0.26 4.37 0.02 -1.94 -1.49 113.55 116.97 1x29 h SER 351 Ca 0.00 0.02 0.08 0.00 -0.84 0.00 0.00 61.79 61.04 1x29 h SER 351 Cb 1.39 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.87 1x29 h SER 351 CO 0.22 0.17 0.34 2.19 -1.14 0.00 0.00 176.83 178.61 1x29 h PHE 352 N 0.35 0.00 -0.23 3.45 -5.15 -1.97 -0.83 116.94 112.55 1x29 h PHE 352 Ca 0.33 0.00 0.02 0.00 -0.20 0.00 0.00 57.97 58.12 1x29 h PHE 352 Cb 0.80 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.96 1x29 h PHE 352 CO -0.00 0.00 0.16 0.82 -2.00 0.00 0.00 178.31 177.29 1x29 h ILE 353 N 0.00 1.01 0.00 0.88 1.08 -1.65 -1.59 117.51 117.24 1x29 h ILE 353 Ca 0.12 -0.08 -0.02 0.00 -0.39 0.00 0.00 64.86 64.50 1x29 h ILE 353 Cb 0.80 0.76 -0.00 0.00 -3.07 0.00 0.00 36.82 35.31 1x29 h ILE 353 CO -0.00 0.04 -0.08 0.40 -0.69 0.00 0.00 178.15 177.83 1x29 h ILE 354 N 0.23 0.25 -0.01 -0.67 5.03 -1.35 -2.87 117.51 118.11 1x29 h ILE 354 Ca 0.09 -0.57 0.00 0.00 -0.12 0.00 0.00 64.86 64.26 1x29 h ILE 354 Cb 0.10 1.45 0.00 0.00 -3.03 0.00 0.00 36.82 35.34 1x29 h ILE 354 CO -0.02 0.07 -0.14 0.29 -0.68 0.00 0.00 178.15 177.68 1x29 n LYS 355 N -3.28 1.38 -3.39 2.37 5.02 -0.60 -4.92 118.16 114.74 1x29 n LYS 355 Ca -0.01 -0.88 -0.34 0.00 -2.02 0.00 0.00 58.31 55.07 1x29 n LYS 355 Cb 0.28 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.75 1x29 n LYS 355 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1x29 s GLN 356 N -2.23 3.89 -0.04 1.97 -0.21 -1.09 -4.90 119.66 117.05 1x29 s GLN 356 Ca 0.30 0.38 -0.02 0.00 0.02 0.00 0.00 55.36 56.05 1x29 s GLN 356 Cb 0.20 -2.78 -0.04 0.00 1.00 0.00 0.00 33.01 31.39 1x29 s GLN 356 CO 0.42 0.39 0.09 -0.80 -2.12 0.00 0.00 175.29 173.27 1x29 s ASN 357 N -2.04 5.78 0.00 5.90 0.02 0.11 -5.02 114.94 119.70 1x29 s ASN 357 Ca 0.43 0.22 0.00 0.00 -1.02 0.00 0.00 52.86 52.49 1x29 s ASN 357 Cb -0.13 -1.71 0.00 0.00 0.02 0.00 0.00 41.25 39.43 1x29 s ASN 357 CO 0.20 0.32 0.00 0.61 0.02 0.00 0.00 177.10 178.25 1x29 n GLY 358 N 1.48 -1.80 0.10 0.66 0.00 -1.25 -4.42 105.19 99.96 1x29 n GLY 358 Ca -0.15 -1.82 -0.09 0.00 0.00 0.00 0.00 46.02 43.96 1x29 n GLY 358 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1x29 h MET 359 N 0.00 0.12 -5.76 1.61 2.86 -1.92 -3.47 114.93 108.37 1x29 h MET 359 Ca 0.00 -0.16 -0.67 0.00 -2.06 0.00 0.00 59.70 56.81 1x29 h MET 359 Cb 0.00 0.05 -0.11 0.00 0.06 0.00 0.00 31.60 31.60 1x29 h MET 359 CO 0.00 1.00 -0.55 -0.06 1.06 0.00 0.00 176.91 178.36 1x29 s PHE 360 N -2.94 3.38 -0.01 -0.22 0.08 -1.26 -0.23 117.98 116.78 1x29 s PHE 360 Ca -0.01 0.35 0.06 0.00 0.12 0.00 0.00 56.93 57.44 1x29 s PHE 360 Cb 0.10 -1.88 -0.01 0.00 -0.57 0.00 0.00 43.02 40.65 1x29 s PHE 360 CO 0.83 0.58 -0.18 -1.54 -0.10 0.00 0.00 175.22 174.81 1x29 s SER 361 N -0.86 2.13 -0.56 1.36 1.04 -1.03 -4.12 113.70 111.67 1x29 s SER 361 Ca 0.13 -0.34 -0.23 0.00 0.48 0.00 0.00 55.95 55.99 1x29 s SER 361 Cb -0.12 -0.23 0.05 0.00 0.10 0.00 0.00 66.02 65.82 1x29 s SER 361 CO 0.03 0.22 0.91 0.12 0.98 0.00 0.00 173.24 175.50 1x29 s PHE 362 N -0.45 2.81 0.28 5.02 5.36 -1.25 -2.13 117.98 127.62 1x29 s PHE 362 Ca 0.07 -0.12 0.04 0.00 -0.96 0.00 0.00 56.93 55.95 1x29 s PHE 362 Cb -0.07 -4.04 0.39 0.00 -0.34 0.00 0.00 43.02 38.97 1x29 s PHE 362 CO -0.01 -1.35 1.68 0.66 -1.46 0.00 0.00 175.22 174.75 1x29 h SER 363 N 9.30 0.39 0.00 6.13 4.64 -1.80 -3.48 113.55 128.73 1x29 h SER 363 Ca -0.27 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1x29 h SER 363 Cb 1.08 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1x29 h SER 363 CO 1.08 0.73 0.00 0.61 -0.87 0.00 0.00 176.83 178.38 1x29 n GLY 364 N -0.20 0.77 3.85 -0.77 0.00 -1.26 -5.06 105.19 102.51 1x29 n GLY 364 Ca -0.01 -0.22 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 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 4.12 0.45 0.99 1.02 -1.26 -5.06 118.68 118.95 1x29 s LEU 365 Ca 0.00 1.26 -0.18 0.00 0.02 0.00 0.00 54.13 55.23 1x29 s LEU 365 Cb 0.00 -3.95 -0.09 0.00 0.02 0.00 0.00 46.19 42.17 1x29 s LEU 365 CO 0.00 -0.15 0.94 0.42 0.02 0.00 0.00 176.35 177.58 1x29 s THR 366 N -1.89 4.49 0.53 5.49 -4.23 -1.26 -4.49 115.64 114.29 1x29 s THR 366 Ca 0.51 1.29 0.33 0.00 -1.18 0.00 0.00 61.69 62.64 1x29 s THR 366 Cb -0.11 -3.66 0.50 0.00 1.34 0.00 0.00 72.50 70.57 1x29 s THR 366 CO 0.18 -0.47 1.86 0.07 -0.54 0.00 0.00 174.62 175.72 1x29 h LYS 367 N 1.50 0.02 0.67 3.99 -0.00 -1.93 0.13 116.57 120.95 1x29 h LYS 367 Ca -0.48 -0.00 -0.03 0.00 -0.00 0.00 0.00 60.65 60.14 1x29 h LYS 367 Cb 1.18 -0.00 0.01 0.00 -0.00 0.00 0.00 32.23 33.41 1x29 h LYS 367 CO 0.62 0.01 -0.32 1.05 -0.00 0.00 0.00 179.45 180.81 1x29 h GLU 368 N 0.02 -0.87 -0.97 0.07 -0.00 -1.91 -2.30 114.58 108.62 1x29 h GLU 368 Ca 0.47 0.06 0.08 0.00 -0.00 0.00 0.00 59.36 59.97 1x29 h GLU 368 Cb 1.86 0.20 -0.07 0.00 -0.00 0.00 0.00 28.75 30.74 1x29 h GLU 368 CO -0.02 -0.55 0.62 1.96 -0.00 0.00 0.00 179.01 181.03 1x29 h GLN 369 N -1.06 1.04 -0.82 1.06 4.20 -1.18 -0.91 115.11 117.44 1x29 h GLN 369 Ca -0.09 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.56 1x29 h GLN 369 Cb 0.73 -0.23 -0.04 0.00 0.30 0.00 0.00 27.48 28.23 1x29 h GLN 369 CO 0.15 0.69 0.55 0.28 -0.67 0.00 0.00 178.83 179.83 1x29 h VAL 370 N 1.07 1.21 0.00 -0.54 2.07 -1.03 0.12 116.25 119.15 1x29 h VAL 370 Ca 0.43 -0.39 -0.18 0.00 0.82 0.00 0.00 66.70 67.39 1x29 h VAL 370 Cb 0.26 -0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.01 1x29 h VAL 370 CO -0.18 0.20 -0.83 0.25 0.02 0.00 0.00 177.57 177.04 1x29 h LEU 371 N 1.12 0.09 -0.52 2.57 5.85 -0.71 -2.90 115.31 120.79 1x29 h LEU 371 Ca 0.30 -0.07 -0.15 0.00 0.84 0.00 0.00 57.88 58.80 1x29 h LEU 371 Cb -0.13 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 1x29 h LEU 371 CO -0.07 0.87 -0.45 -0.09 -0.34 0.00 0.00 178.44 178.37 1x29 h ARG 372 N 0.04 0.69 -0.81 1.25 2.43 -0.20 -1.64 114.38 116.15 1x29 h ARG 372 Ca -0.02 -0.38 -0.02 0.00 -0.81 0.00 0.00 59.98 58.74 1x29 h ARG 372 Cb 1.45 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.98 1x29 h ARG 372 CO 0.11 1.00 0.41 -0.07 -1.51 0.00 0.00 179.97 179.91 1x29 h LEU 373 N 0.56 1.04 0.04 3.80 3.38 -0.75 -1.89 115.31 121.48 1x29 h LEU 373 Ca 0.04 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1x29 h LEU 373 Cb 1.00 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1x29 h LEU 373 CO 0.09 0.87 -0.02 -0.09 0.09 0.00 0.00 178.44 179.38 1x29 h ARG 374 N 1.14 -0.05 0.00 1.13 2.43 -1.26 -0.35 114.38 117.42 1x29 h ARG 374 Ca 0.28 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 1x29 h ARG 374 Cb 0.09 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1x29 h ARG 374 CO -0.04 -0.04 0.00 0.39 -1.51 0.00 0.00 179.97 178.78 1x29 n GLU 375 N -2.32 0.11 0.00 0.20 1.02 -0.63 -0.84 120.64 118.17 1x29 n GLU 375 Ca -0.01 0.20 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 1x29 n GLU 375 Cb 0.02 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.94 1x29 n GLU 375 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1x29 n GLU 376 N -1.26 1.39 0.00 3.49 2.13 -0.71 -4.81 120.64 120.87 1x29 n GLU 376 Ca 0.03 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.88 1x29 n GLU 376 Cb 0.05 -0.94 0.00 0.00 0.27 0.00 0.00 31.44 30.83 1x29 n GLU 376 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1x29 n PHE 377 N -2.16 0.00 -1.52 4.31 3.72 -0.27 -5.00 117.46 116.53 1x29 n PHE 377 Ca 0.00 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.32 1x29 n PHE 377 Cb 0.44 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.95 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 0.65 0.73 3.54 1.37 0.00 -0.02 -4.86 105.19 106.59 1x29 n GLY 378 Ca 0.03 -0.62 -0.36 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 -2.35 4.71 -0.21 1.61 1.01 -0.59 -1.23 120.40 123.35 1x29 s VAL 379 Ca 0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 61.98 61.86 1x29 s VAL 379 Cb 0.00 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 1x29 s VAL 379 CO 0.00 0.35 0.07 -0.31 0.00 0.00 0.00 175.10 175.21 1x29 s TYR 380 N 1.29 3.18 0.09 5.22 1.51 0.71 -2.34 117.35 126.99 1x29 s TYR 380 Ca 0.06 -0.11 -0.01 0.00 -1.01 0.00 0.00 57.07 55.99 1x29 s TYR 380 Cb -0.15 -2.16 -0.04 0.00 -0.11 0.00 0.00 41.96 39.51 1x29 s TYR 380 CO 0.05 -0.06 0.02 0.00 -1.11 0.00 0.00 175.55 174.44 1x29 s ALA 381 N 0.94 0.62 0.34 3.71 0.00 -1.26 0.58 121.76 126.69 1x29 s ALA 381 Ca 0.04 -1.29 -0.27 0.00 0.00 0.00 0.00 51.96 50.44 1x29 s ALA 381 Cb -0.14 0.53 -0.09 0.00 0.00 0.00 0.00 23.12 23.42 1x29 s ALA 381 CO 0.03 -0.43 1.14 0.08 0.00 0.00 0.00 175.76 176.58 1x29 s VAL 382 N -3.97 3.32 0.19 0.00 1.01 -1.03 -4.89 120.40 115.03 1x29 s VAL 382 Ca 0.14 1.22 0.19 0.00 0.00 0.00 0.00 61.98 63.53 1x29 s VAL 382 Cb 0.08 -3.73 0.19 0.00 0.00 0.00 0.00 36.38 32.91 1x29 s VAL 382 CO -0.05 0.21 1.52 0.00 0.00 0.00 0.00 175.10 176.78 1x29 h ALA 383 N 3.24 1.22 0.00 5.51 0.00 -1.89 0.26 119.26 127.60 1x29 h ALA 383 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1x29 h ALA 383 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1x29 h ALA 383 CO 0.65 -0.22 0.00 -1.13 0.00 0.00 0.00 179.25 178.55 1x29 n SER 384 N -2.33 0.14 0.00 0.00 3.41 -1.26 -4.21 113.62 109.38 1x29 n SER 384 Ca -0.01 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 1x29 n SER 384 Cb 0.31 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 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 1.33 0.74 3.72 5.00 0.00 0.90 -4.84 105.19 112.04 1x29 n GLY 385 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.93 4.53 0.01 1.61 3.52 -1.22 -2.25 118.95 124.23 1x29 s ARG 386 Ca 0.00 1.62 0.08 0.00 -0.13 0.00 0.00 55.73 57.30 1x29 s ARG 386 Cb 0.00 -3.37 -0.02 0.00 -1.56 0.00 0.00 34.95 30.00 1x29 s ARG 386 CO 0.00 -0.08 -0.23 0.14 -0.81 0.00 0.00 175.30 174.32 1x29 s VAL 387 N 0.66 1.87 -0.57 7.11 -7.23 -0.90 -2.46 120.40 118.87 1x29 s VAL 387 Ca 0.54 -1.13 -0.23 0.00 -1.81 0.00 0.00 61.98 59.35 1x29 s VAL 387 Cb -0.26 -1.58 0.05 0.00 0.56 0.00 0.00 36.38 35.15 1x29 s VAL 387 CO 0.30 0.42 0.92 0.21 -0.31 0.00 0.00 175.10 176.64 1x29 s ASN 388 N -0.84 6.28 0.45 4.85 2.47 -0.45 -2.46 114.94 125.25 1x29 s ASN 388 Ca 0.09 -0.56 0.20 0.00 0.42 0.00 0.00 52.86 53.01 1x29 s ASN 388 Cb -0.09 -2.42 1.07 0.00 -1.45 0.00 0.00 41.25 38.36 1x29 s ASN 388 CO 0.00 -1.25 1.94 0.58 -3.72 0.00 0.00 177.10 174.65 1x29 h VAL 389 N 5.99 0.88 0.00 -5.21 2.07 -0.95 -1.84 116.25 117.19 1x29 h VAL 389 Ca -0.27 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.36 1x29 h VAL 389 Cb 1.07 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 32.37 1x29 h VAL 389 CO 1.10 0.23 0.00 0.00 0.02 0.00 0.00 177.57 178.92 1x29 n ALA 390 N -2.36 1.86 1.06 1.67 0.00 -1.24 -1.78 120.51 119.73 1x29 n ALA 390 Ca -0.02 -0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.47 1x29 n ALA 390 Cb 0.32 -1.27 0.11 0.00 0.00 0.00 0.00 19.45 18.61 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 0.13 -0.55 3.79 0.00 0.00 -0.69 -2.77 105.19 105.09 1x29 n GLY 391 Ca 0.07 -0.53 -0.38 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.68 4.50 0.12 1.61 -1.94 -0.73 -4.95 119.30 115.24 1x29 s MET 392 Ca 0.17 1.15 0.01 0.00 -1.71 0.00 0.00 55.69 55.30 1x29 s MET 392 Cb 0.18 -3.01 -0.04 0.00 2.01 0.00 0.00 34.83 33.96 1x29 s MET 392 CO 0.64 0.43 -0.01 0.95 -0.01 0.00 0.00 175.02 177.02 1x29 s THR 393 N -1.40 0.49 0.56 2.05 -4.23 -1.26 -4.95 115.64 106.90 1x29 s THR 393 Ca 0.43 -1.92 0.26 0.00 -1.18 0.00 0.00 61.69 59.27 1x29 s THR 393 Cb -0.20 -1.88 0.36 0.00 1.34 0.00 0.00 72.50 72.12 1x29 s THR 393 CO 0.24 -0.67 2.06 -0.65 -0.54 0.00 0.00 174.62 175.06 1x29 h PRO 394 N 2.88 0.00 0.02 3.99 0.11 -1.96 -1.04 132.00 136.00 1x29 h PRO 394 Ca -0.35 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.54 1x29 h PRO 394 Cb 1.18 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1x29 h PRO 394 CO 0.63 0.00 -1.02 -0.44 -0.21 0.00 0.00 178.00 176.96 1x29 h ASP 395 N 0.00 0.06 -0.01 -2.05 3.32 -1.96 -3.35 116.42 112.43 1x29 h ASP 395 Ca 0.14 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1x29 h ASP 395 Cb 0.63 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.16 1x29 h ASP 395 CO -0.00 1.04 -0.41 -0.46 -1.72 0.00 0.00 179.24 177.69 1x29 n ASN 396 N -3.39 1.58 -0.01 6.45 0.23 -0.90 -4.64 115.26 114.58 1x29 n ASN 396 Ca -0.01 -1.29 -0.09 0.00 -0.53 0.00 0.00 54.58 52.66 1x29 n ASN 396 Cb 0.94 0.54 -0.03 0.00 -2.08 0.00 0.00 39.78 39.15 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 1.66 -0.15 0.19 -3.83 4.05 -1.35 -1.19 114.93 114.31 1x29 h MET 397 Ca 0.00 0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.42 1x29 h MET 397 Cb 0.56 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.39 1x29 h MET 397 CO 0.00 -0.10 -0.09 0.00 0.23 0.00 0.00 176.91 176.95 1x29 h ALA 398 N 0.93 -0.25 -0.65 0.39 0.00 -1.82 -0.04 119.26 117.82 1x29 h ALA 398 Ca 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1x29 h ALA 398 Cb 0.29 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1x29 h ALA 398 CO -0.24 -0.63 0.42 -1.35 0.00 0.00 0.00 179.25 177.45 1x29 h PRO 399 N -0.28 0.87 0.69 0.00 0.11 -1.84 -0.77 132.00 130.78 1x29 h PRO 399 Ca -0.03 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.99 1x29 h PRO 399 Cb 0.22 -0.19 0.01 0.00 0.11 0.00 0.00 31.00 31.14 1x29 h PRO 399 CO 0.04 0.59 -0.33 1.25 -0.21 0.00 0.00 178.00 179.34 1x29 h LEU 400 N 0.89 -0.79 -1.42 2.35 6.46 -0.85 -1.48 115.31 120.48 1x29 h LEU 400 Ca 0.24 0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 58.00 1x29 h LEU 400 Cb -0.07 0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.04 1x29 h LEU 400 CO -0.05 -0.55 0.11 0.00 -0.62 0.00 0.00 178.44 177.33 1x29 h GLU 402 N 0.50 0.58 -0.01 0.00 5.08 -0.99 -1.13 114.58 118.62 1x29 h GLU 402 Ca 0.12 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1x29 h GLU 402 Cb 0.15 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 1x29 h GLU 402 CO -0.01 0.66 -0.01 0.00 -1.00 0.00 0.00 179.01 178.65 1x29 h ALA 403 N 1.39 0.01 0.02 3.43 0.00 -0.32 -2.75 119.26 121.04 1x29 h ALA 403 Ca 0.11 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.81 1x29 h ALA 403 Cb 0.45 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1x29 h ALA 403 CO 0.02 -0.25 -0.17 0.82 0.00 0.00 0.00 179.25 179.67 1x29 h ILE 404 N -0.43 0.60 -0.95 0.00 2.04 -1.07 -2.32 117.51 115.38 1x29 h ILE 404 Ca 0.00 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.01 1x29 h ILE 404 Cb 0.46 0.60 -0.09 0.00 -0.74 0.00 0.00 36.82 37.05 1x29 h ILE 404 CO 0.00 0.00 0.57 0.58 0.00 0.00 0.00 178.15 179.30 1x29 h VAL 405 N -0.29 0.80 0.00 1.67 2.07 -1.27 -0.46 116.25 118.78 1x29 h VAL 405 Ca 0.05 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 1x29 h VAL 405 Cb 0.34 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.03 1x29 h VAL 405 CO -0.14 0.15 -0.10 0.00 0.02 0.00 0.00 177.57 177.50 1x29 h ALA 406 N 1.57 1.18 -0.02 1.67 0.00 -1.11 -2.58 119.26 119.98 1x29 h ALA 406 Ca 0.51 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1x29 h ALA 406 Cb 0.65 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1x29 h ALA 406 CO -0.33 0.12 -0.30 0.28 0.00 0.00 0.00 179.25 179.03 1x29 n VAL 408 N -3.47 0.00 1.64 0.00 0.31 -0.24 -5.11 118.33 111.45 1x29 n VAL 408 Ca -0.01 -0.35 0.13 0.00 -0.01 0.00 0.00 64.34 64.10 1x29 n VAL 408 Cb 0.25 1.33 0.78 0.00 -0.91 0.00 0.00 33.84 35.29 1x29 n VAL 408 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69