#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2tmd s ARG 2 N 0.00 4.16 -0.13 0.00 3.52 -1.26 -4.64 118.95 120.61 2tmd s ARG 2 Ca 0.00 2.47 -0.36 0.00 -0.13 0.00 0.00 55.73 57.70 2tmd s ARG 2 Cb 0.00 -3.98 -0.14 0.00 -1.56 0.00 0.00 34.95 29.27 2tmd s ARG 2 CO 0.00 -0.89 1.77 -3.47 -0.81 0.00 0.00 175.30 171.90 2tmd n ASP 3 N 6.98 2.92 0.11 -2.12 -0.08 -1.26 -4.85 116.55 118.24 2tmd n ASP 3 Ca 0.18 1.03 0.09 0.00 -1.51 0.00 0.00 54.79 54.58 2tmd n ASP 3 Cb 0.41 -1.28 0.42 0.00 2.34 0.00 0.00 41.12 43.01 2tmd n ASP 3 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2tmd n PRO 4 N 5.64 0.11 0.33 -0.67 -0.04 -1.26 -0.83 135.00 138.28 2tmd n PRO 4 Ca 0.23 0.52 0.21 0.00 -0.04 0.00 0.00 63.50 64.42 2tmd n PRO 4 Cb 0.23 -1.80 1.11 0.00 -0.04 0.00 0.00 33.50 33.00 2tmd n PRO 4 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2tmd h LYS 5 N 0.00 0.00 -0.45 0.54 3.64 -2.02 -2.38 116.57 115.90 2tmd h LYS 5 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2tmd h LYS 5 Cb 0.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2tmd h LYS 5 CO 0.00 0.00 0.00 0.72 -2.27 0.00 0.00 179.45 177.90 2tmd n HIS 6 N -3.17 0.59 0.17 1.91 8.25 -0.01 -4.35 115.22 118.60 2tmd n HIS 6 Ca -0.03 -0.29 0.03 0.00 -0.26 0.00 0.00 57.72 57.17 2tmd n HIS 6 Cb 0.11 0.00 0.40 0.00 1.12 0.00 0.00 29.99 31.61 2tmd n HIS 6 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 2tmd h ASP 7 N 3.65 0.09 -0.52 0.41 5.19 -1.59 -2.16 116.42 121.50 2tmd h ASP 7 Ca 0.00 -0.02 0.05 0.00 -0.62 0.00 0.00 57.03 56.44 2tmd h ASP 7 Cb 0.82 -0.03 -0.03 0.00 0.18 0.00 0.00 39.33 40.27 2tmd h ASP 7 CO 0.00 0.34 0.35 0.16 -3.12 0.00 0.00 179.24 176.97 2tmd h ILE 8 N 0.09 1.01 0.00 0.35 3.07 -1.82 -0.75 117.51 119.45 2tmd h ILE 8 Ca 0.01 -0.17 0.00 0.00 1.55 0.00 0.00 64.86 66.25 2tmd h ILE 8 Cb 0.49 0.45 0.00 0.00 -0.27 0.00 0.00 36.82 37.49 2tmd h ILE 8 CO 0.03 0.09 0.00 0.18 -1.05 0.00 0.00 178.15 177.41 2tmd n LEU 9 N -4.47 0.50 -0.29 0.16 4.32 -0.81 -1.60 117.00 114.81 2tmd n LEU 9 Ca 0.07 0.71 0.05 0.00 -0.02 0.00 0.00 56.01 56.82 2tmd n LEU 9 Cb 0.21 -0.75 0.11 0.00 -1.62 0.00 0.00 43.42 41.37 2tmd n LEU 9 CO 0.34 -0.82 0.58 0.49 -1.22 0.00 0.00 177.39 176.76 2tmd n PHE 10 N -2.15 0.24 -2.60 -1.77 3.72 -0.29 -0.62 117.46 113.99 2tmd n PHE 10 Ca -0.01 -0.70 -0.40 0.00 -0.05 0.00 0.00 57.45 56.29 2tmd n PHE 10 Cb 0.06 -0.12 -0.05 0.00 -0.94 0.00 0.00 39.48 38.44 2tmd n PHE 10 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 2tmd s GLU 11 N -1.83 4.70 0.57 -1.08 2.02 -0.62 -4.70 118.70 117.76 2tmd s GLU 11 Ca 0.20 1.64 -0.16 0.00 0.02 0.00 0.00 54.97 56.67 2tmd s GLU 11 Cb 0.16 -3.26 -0.05 0.00 0.10 0.00 0.00 34.13 31.07 2tmd s GLU 11 CO 0.05 0.27 1.04 -1.25 0.02 0.00 0.00 175.26 175.40 2tmd s PRO 12 N -0.90 3.49 -0.03 0.39 0.04 -1.24 -3.89 135.00 132.87 2tmd s PRO 12 Ca 0.45 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.67 2tmd s PRO 12 Cb -0.28 -2.06 0.03 0.00 0.04 0.00 0.00 34.50 32.22 2tmd s PRO 12 CO 0.35 -0.66 0.01 -1.50 0.04 0.00 0.00 177.00 175.23 2tmd s ILE 13 N -2.42 0.15 -0.10 0.56 2.07 -0.82 -4.97 121.20 115.67 2tmd s ILE 13 Ca 0.63 0.12 -0.30 0.00 -1.41 0.00 0.00 60.65 59.70 2tmd s ILE 13 Cb -0.15 -0.26 -0.02 0.00 0.13 0.00 0.00 42.46 42.16 2tmd s ILE 13 CO 0.34 0.15 1.17 -1.58 -1.91 0.00 0.00 174.94 173.11 2tmd s GLN 14 N 1.16 4.33 -0.47 3.50 2.00 -1.26 -0.40 119.66 128.52 2tmd s GLN 14 Ca -0.08 1.60 -0.01 0.00 -2.00 0.00 0.00 55.36 54.88 2tmd s GLN 14 Cb -0.13 -3.60 0.13 0.00 0.80 0.00 0.00 33.01 30.20 2tmd s GLN 14 CO -0.02 -0.49 0.25 0.96 -0.50 0.00 0.00 175.29 175.49 2tmd s ILE 15 N 2.51 3.17 0.00 -2.34 -4.36 0.10 -4.89 121.20 115.39 2tmd s ILE 15 Ca 0.54 -2.51 0.00 0.00 -0.26 0.00 0.00 60.65 58.42 2tmd s ILE 15 Cb -0.22 -3.16 0.00 0.00 1.25 0.00 0.00 42.46 40.32 2tmd s ILE 15 CO 0.19 -0.74 0.00 0.61 0.24 0.00 0.00 174.94 175.23 2tmd n GLY 16 N 4.05 3.80 0.00 6.27 0.00 -1.26 -1.58 105.19 116.47 2tmd n GLY 16 Ca 0.02 -0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.14 2tmd n GLY 16 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2tmd n PRO 17 N 13.80 0.92 -4.48 1.61 -0.04 -1.26 -4.87 135.00 140.66 2tmd n PRO 17 Ca 0.00 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.22 2tmd n PRO 17 Cb 0.00 -1.37 -0.10 0.00 -0.04 0.00 0.00 33.50 31.99 2tmd n PRO 17 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2tmd s LYS 18 N -2.00 1.68 -0.10 0.54 -0.14 -0.61 -4.98 119.74 114.12 2tmd s LYS 18 Ca 0.33 -1.84 0.01 0.00 -1.36 0.00 0.00 55.97 53.11 2tmd s LYS 18 Cb 0.15 -1.53 0.02 0.00 -1.68 0.00 0.00 37.83 34.78 2tmd s LYS 18 CO 0.25 0.16 -0.11 0.99 -0.76 0.00 0.00 175.35 175.88 2tmd s THR 19 N -2.72 1.20 0.11 2.17 2.01 -1.26 0.02 115.64 117.17 2tmd s THR 19 Ca 0.30 -0.44 -0.29 0.00 0.31 0.00 0.00 61.69 61.57 2tmd s THR 19 Cb 0.01 -1.15 -0.06 0.00 0.01 0.00 0.00 72.50 71.31 2tmd s THR 19 CO 0.14 0.39 0.93 -0.76 -0.69 0.00 0.00 174.62 174.63 2tmd s LEU 20 N 1.27 4.50 0.25 4.42 1.43 0.47 -4.94 118.68 126.08 2tmd s LEU 20 Ca -0.02 1.75 0.07 0.00 -1.03 0.00 0.00 54.13 54.90 2tmd s LEU 20 Cb -0.14 -3.53 0.30 0.00 0.03 0.00 0.00 46.19 42.85 2tmd s LEU 20 CO -0.04 -0.03 1.58 0.08 0.23 0.00 0.00 176.35 178.17 2tmd h ARG 21 N 5.48 0.12 0.00 1.70 0.11 -1.87 -2.19 114.38 117.73 2tmd h ARG 21 Ca -0.43 -0.08 0.00 0.00 0.10 0.00 0.00 59.98 59.57 2tmd h ARG 21 Cb 1.21 0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.30 2tmd h ARG 21 CO 0.71 0.70 0.00 0.27 0.10 0.00 0.00 179.97 181.75 2tmd n ASN 22 N -3.83 0.00 -1.94 0.08 0.23 -1.26 -3.63 115.26 104.90 2tmd n ASN 22 Ca -0.02 -0.79 -0.01 0.00 -0.53 0.00 0.00 54.58 53.23 2tmd n ASN 22 Cb 0.62 0.00 0.34 0.00 -2.08 0.00 0.00 39.78 38.66 2tmd n ASN 22 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2tmd n ARG 23 N 0.00 4.15 -3.69 -3.83 1.74 0.21 -4.71 116.66 110.52 2tmd n ARG 23 Ca 0.00 -3.03 -0.37 0.00 -0.77 0.00 0.00 57.85 53.68 2tmd n ARG 23 Cb 0.00 -2.22 -0.12 0.00 -1.02 0.00 0.00 32.46 29.10 2tmd n ARG 23 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2tmd s PHE 24 N -2.84 3.14 -0.09 -1.55 0.08 -1.26 -0.51 117.98 114.94 2tmd s PHE 24 Ca 0.54 -0.32 -0.01 0.00 0.12 0.00 0.00 56.93 57.26 2tmd s PHE 24 Cb 0.42 -2.30 0.03 0.00 -0.57 0.00 0.00 43.02 40.60 2tmd s PHE 24 CO 0.14 -0.33 -0.05 -0.47 -0.10 0.00 0.00 175.22 174.41 2tmd s TYR 25 N 1.65 1.16 -0.58 0.36 5.04 -0.56 -0.04 117.35 124.37 2tmd s TYR 25 Ca 0.06 -0.51 -0.22 0.00 -2.44 0.00 0.00 57.07 53.96 2tmd s TYR 25 Cb -0.16 -1.05 0.06 0.00 0.35 0.00 0.00 41.96 41.16 2tmd s TYR 25 CO 0.06 -0.43 0.87 -1.14 -1.34 0.00 0.00 175.55 173.57 2tmd s GLN 26 N 1.74 3.19 0.87 4.97 0.74 -0.79 -0.91 119.66 129.47 2tmd s GLN 26 Ca 0.04 -0.67 -0.11 0.00 0.05 0.00 0.00 55.36 54.67 2tmd s GLN 26 Cb -0.13 -4.14 0.12 0.00 1.10 0.00 0.00 33.01 29.96 2tmd s GLN 26 CO -0.06 -1.55 1.14 0.14 -0.55 0.00 0.00 175.29 174.40 2tmd s VAL 27 N 3.62 2.36 0.25 1.34 -7.23 -0.86 -3.30 120.40 116.58 2tmd s VAL 27 Ca 0.23 0.12 -0.31 0.00 -1.81 0.00 0.00 61.98 60.21 2tmd s VAL 27 Cb -0.16 -2.29 -0.13 0.00 0.56 0.00 0.00 36.38 34.36 2tmd s VAL 27 CO 0.14 -0.15 1.55 -2.65 -0.31 0.00 0.00 175.10 173.67 2tmd n PRO 28 N -3.96 2.41 -3.62 4.82 -0.02 -1.26 -4.64 135.00 128.73 2tmd n PRO 28 Ca 0.11 0.86 -0.15 0.00 -2.02 0.00 0.00 63.50 62.31 2tmd n PRO 28 Cb 0.52 -2.61 -0.07 0.00 -0.02 0.00 0.00 33.50 31.32 2tmd n PRO 28 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 2tmd s HIS 29 N 0.25 -0.69 0.58 6.00 -3.43 -1.17 -4.89 115.29 111.93 2tmd s HIS 29 Ca 0.69 1.56 -0.20 0.00 -0.80 0.00 0.00 55.06 56.30 2tmd s HIS 29 Cb -0.57 0.28 -0.04 0.00 -1.43 0.00 0.00 32.58 30.82 2tmd s HIS 29 CO 0.45 -0.42 1.32 0.00 -2.00 0.00 0.00 174.74 174.10 2tmd n ILE 31 N -1.30 0.00 -1.77 0.00 -5.35 -1.26 -5.00 119.36 104.68 2tmd n ILE 31 Ca 0.12 -0.03 0.00 0.00 -0.27 0.00 0.00 62.75 62.58 2tmd n ILE 31 Cb 0.46 1.45 0.00 0.00 -1.74 0.00 0.00 39.64 39.81 2tmd n ILE 31 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2tmd n GLY 32 N 0.03 0.80 1.05 3.28 0.00 -1.26 -1.07 105.19 108.01 2tmd n GLY 32 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.37 2tmd n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2tmd n ALA 33 N -1.41 3.00 -0.97 4.61 0.00 -1.26 -4.53 120.51 119.95 2tmd n ALA 33 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2tmd n ALA 33 Cb 0.40 0.48 0.00 0.00 0.00 0.00 0.00 19.45 20.33 2tmd n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2tmd n GLY 34 N 2.93 3.04 1.32 0.00 0.00 -1.26 -1.18 105.19 110.04 2tmd n GLY 34 Ca 0.00 -0.33 0.10 0.00 0.00 0.00 0.00 46.02 45.79 2tmd n GLY 34 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2tmd n SER 35 N 1.84 4.07 -0.08 1.61 7.64 -1.26 -4.44 113.62 123.00 2tmd n SER 35 Ca 0.00 -2.16 -0.10 0.00 1.01 0.00 0.00 58.87 57.62 2tmd n SER 35 Cb 0.00 -0.48 -0.15 0.00 -1.01 0.00 0.00 64.21 62.56 2tmd n SER 35 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2tmd n ASP 36 N 1.28 0.26 -3.92 6.43 9.92 -0.53 -4.61 116.55 125.39 2tmd n ASP 36 Ca 0.23 0.12 -0.29 0.00 -0.53 0.00 0.00 54.79 54.32 2tmd n ASP 36 Cb 0.69 0.69 -0.12 0.00 -0.64 0.00 0.00 41.12 41.74 2tmd n ASP 36 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2tmd s LYS 37 N -2.52 2.53 0.21 -1.24 3.01 -0.33 -4.89 119.74 116.51 2tmd s LYS 37 Ca -0.09 -3.34 0.01 0.00 -1.01 0.00 0.00 55.97 51.54 2tmd s LYS 37 Cb 0.07 -3.47 0.16 0.00 -1.01 0.00 0.00 37.83 33.58 2tmd s LYS 37 CO 0.83 -1.28 1.51 -1.00 0.51 0.00 0.00 175.35 175.91 2tmd h PRO 38 N 5.45 0.34 -0.05 -1.68 0.13 -1.86 -0.70 132.00 133.64 2tmd h PRO 38 Ca 0.14 -0.25 -0.00 0.00 -0.87 0.00 0.00 66.00 65.03 2tmd h PRO 38 Cb 0.76 0.04 -0.00 0.00 0.13 0.00 0.00 31.00 31.93 2tmd h PRO 38 CO 0.73 0.86 0.03 0.78 -0.23 0.00 0.00 178.00 180.17 2tmd h GLY 39 N 1.36 0.08 0.39 1.56 0.00 -1.93 0.51 103.07 105.03 2tmd h GLY 39 Ca -0.01 -0.03 0.02 0.00 0.00 0.00 0.00 47.33 47.31 2tmd h GLY 39 CO 0.11 0.03 -0.33 -2.75 0.00 0.00 0.00 176.54 173.60 2tmd h PHE 40 N -0.00 -0.89 -0.67 5.60 3.04 -1.92 0.26 116.94 122.35 2tmd h PHE 40 Ca 0.02 0.02 0.09 0.00 3.98 0.00 0.00 57.97 62.08 2tmd h PHE 40 Cb 0.08 0.38 -0.07 0.00 2.56 0.00 0.00 35.95 38.90 2tmd h PHE 40 CO -0.05 -0.43 0.33 0.37 -2.02 0.00 0.00 178.31 176.51 2tmd h GLN 41 N -0.53 0.55 0.09 1.11 5.75 -1.12 -0.71 115.11 120.26 2tmd h GLN 41 Ca 0.04 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2tmd h GLN 41 Cb 0.58 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 29.00 2tmd h GLN 41 CO -0.21 0.37 -0.05 1.03 -2.65 0.00 0.00 178.83 177.32 2tmd h SER 42 N 0.57 -0.11 -0.16 -0.69 0.87 -0.48 -3.09 113.55 110.46 2tmd h SER 42 Ca 0.33 -0.17 -0.05 0.00 -1.23 0.00 0.00 61.79 60.67 2tmd h SER 42 Cb 0.33 0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.32 2tmd h SER 42 CO -0.26 0.11 -0.09 0.00 -0.53 0.00 0.00 176.83 176.06 2tmd h ALA 43 N 0.56 0.23 -0.40 6.23 0.00 -0.27 -1.75 119.26 123.85 2tmd h ALA 43 Ca -0.01 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 2tmd h ALA 43 Cb 0.27 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2tmd h ALA 43 CO 0.02 0.05 0.05 1.25 0.00 0.00 0.00 179.25 180.62 2tmd h HIS 44 N 0.01 0.62 0.00 0.00 6.17 -1.23 -1.86 115.15 118.87 2tmd h HIS 44 Ca 0.03 -0.06 -0.18 0.00 0.71 0.00 0.00 60.37 60.88 2tmd h HIS 44 Cb 0.58 -0.18 -0.03 0.00 2.52 0.00 0.00 27.41 30.30 2tmd h HIS 44 CO 0.07 0.57 -1.28 0.00 0.71 0.00 0.00 177.93 178.00 2tmd h ARG 45 N 0.59 0.00 0.07 5.26 3.08 -1.55 -3.36 114.38 118.47 2tmd h ARG 45 Ca 0.13 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.93 2tmd h ARG 45 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 2tmd h ARG 45 CO 0.00 0.41 -1.10 0.66 -1.07 0.00 0.00 179.97 178.88 2tmd h SER 46 N 0.00 0.42 0.05 7.04 4.64 -0.89 -2.30 113.55 122.50 2tmd h SER 46 Ca -0.14 -0.40 -0.01 0.00 -0.47 0.00 0.00 61.79 60.77 2tmd h SER 46 Cb 1.64 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 63.59 2tmd h SER 46 CO 0.06 1.26 -0.04 -0.37 -0.87 0.00 0.00 176.83 176.87 2tmd h VAL 47 N 0.12 0.95 -0.07 0.95 -1.51 -1.53 0.76 116.25 115.92 2tmd h VAL 47 Ca -0.10 -0.14 -0.19 0.00 -1.23 0.00 0.00 66.70 65.04 2tmd h VAL 47 Cb 1.79 1.08 -0.00 0.00 -2.13 0.00 0.00 31.29 32.02 2tmd h VAL 47 CO 0.18 0.04 -0.75 0.11 -1.23 0.00 0.00 177.57 175.92 2tmd h LYS 48 N 0.00 0.39 -0.25 5.19 1.57 -1.64 -0.65 116.57 121.18 2tmd h LYS 48 Ca -0.00 -0.33 -0.01 0.00 -1.87 0.00 0.00 60.65 58.44 2tmd h LYS 48 Cb 0.07 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 2tmd h LYS 48 CO 0.01 0.97 0.12 0.00 -0.57 0.00 0.00 179.45 179.97 2tmd h ALA 49 N 0.93 0.32 0.00 3.86 0.00 -0.37 -2.13 119.26 121.88 2tmd h ALA 49 Ca -0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 2tmd h ALA 49 Cb 1.33 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 2tmd h ALA 49 CO 0.13 -0.11 -0.10 1.05 0.00 0.00 0.00 179.25 180.22 2tmd h GLU 50 N 0.27 0.00 0.00 0.00 4.11 -1.00 -0.88 114.58 117.08 2tmd h GLU 50 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.52 2tmd h GLU 50 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2tmd h GLU 50 CO -0.01 0.10 0.00 0.41 0.07 0.00 0.00 179.01 179.58 2tmd n GLY 51 N -0.09 -1.06 0.00 1.06 0.00 -0.26 -4.90 105.19 99.95 2tmd n GLY 51 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2tmd n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2tmd n GLY 52 N 0.98 0.58 3.73 -0.02 0.00 -0.33 -1.86 105.19 108.27 2tmd n GLY 52 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 2tmd n GLY 52 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2tmd s TRP 53 N -2.00 2.91 0.34 1.61 0.52 -0.90 -4.87 118.94 116.55 2tmd s TRP 53 Ca 0.00 0.53 0.06 0.00 0.02 0.00 0.00 56.10 56.70 2tmd s TRP 53 Cb 0.00 -4.07 0.63 0.00 -1.15 0.00 0.00 33.47 28.88 2tmd s TRP 53 CO 0.00 -3.90 1.86 0.00 0.02 0.00 0.00 176.95 174.93 2tmd h ALA 54 N 6.30 1.37 -3.01 0.98 0.00 -0.74 -3.43 119.26 120.73 2tmd h ALA 54 Ca -0.44 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.09 2tmd h ALA 54 Cb 1.21 -0.12 -0.25 0.00 0.00 0.00 0.00 17.79 18.62 2tmd h ALA 54 CO 0.91 0.43 -0.37 0.00 0.00 0.00 0.00 179.25 180.22 2tmd s ALA 55 N -4.80 -0.73 -0.07 0.00 0.00 -1.24 -1.89 121.76 113.02 2tmd s ALA 55 Ca -0.07 0.81 0.05 0.00 0.00 0.00 0.00 51.96 52.75 2tmd s ALA 55 Cb 0.15 -0.47 -0.00 0.00 0.00 0.00 0.00 23.12 22.80 2tmd s ALA 55 CO 0.76 -0.14 -0.23 -0.51 0.00 0.00 0.00 175.76 175.64 2tmd s LEU 56 N 0.11 2.02 -0.02 0.00 2.01 -0.34 -1.89 118.68 120.57 2tmd s LEU 56 Ca -0.00 -0.50 0.06 0.00 0.01 0.00 0.00 54.13 53.70 2tmd s LEU 56 Cb -0.02 -1.29 -0.02 0.00 0.01 0.00 0.00 46.19 44.86 2tmd s LEU 56 CO 0.01 0.18 -0.20 0.20 1.01 0.00 0.00 176.35 177.55 2tmd s ASN 57 N 0.14 3.57 1.32 2.29 0.01 -1.21 -0.73 114.94 120.33 2tmd s ASN 57 Ca -0.11 -0.36 -0.20 0.00 -0.71 0.00 0.00 52.86 51.48 2tmd s ASN 57 Cb -0.15 -0.59 0.33 0.00 0.41 0.00 0.00 41.25 41.25 2tmd s ASN 57 CO 0.06 0.32 1.00 0.42 -1.51 0.00 0.00 177.10 177.39 2tmd s THR 58 N -0.72 1.43 0.93 1.60 -4.23 -0.52 -4.32 115.64 109.82 2tmd s THR 58 Ca 0.11 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.50 2tmd s THR 58 Cb -0.10 -2.22 0.20 0.00 1.34 0.00 0.00 72.50 71.71 2tmd s THR 58 CO 0.01 0.00 1.27 -1.83 -0.54 0.00 0.00 174.62 173.52 2tmd s GLU 59 N -5.13 0.69 -0.01 3.99 1.03 -1.24 -3.05 118.70 114.98 2tmd s GLU 59 Ca 0.69 -0.70 -0.38 0.00 0.03 0.00 0.00 54.97 54.62 2tmd s GLU 59 Cb -0.13 -1.96 -0.16 0.00 -0.80 0.00 0.00 34.13 31.08 2tmd s GLU 59 CO 0.58 -2.31 1.46 2.48 -1.33 0.00 0.00 175.26 176.14 2tmd n TYR 60 N -3.60 1.69 -4.04 4.83 4.11 -1.26 -4.24 117.16 114.65 2tmd n TYR 60 Ca 0.17 0.59 -0.32 0.00 -0.00 0.00 0.00 57.90 58.34 2tmd n TYR 60 Cb 0.60 -2.38 -0.15 0.00 -0.00 0.00 0.00 39.34 37.41 2tmd n TYR 60 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2tmd n SER 62 N 4.34 3.00 0.11 0.00 2.88 0.32 -0.49 113.62 123.79 2tmd n SER 62 Ca -0.05 1.06 0.13 0.00 -1.33 0.00 0.00 58.87 58.68 2tmd n SER 62 Cb 0.42 -1.37 0.30 0.00 -0.75 0.00 0.00 64.21 62.81 2tmd n SER 62 CO 0.00 0.00 0.00 0.16 -1.23 0.00 0.00 175.04 173.97 2tmd h ILE 63 N 4.17 0.00 -1.76 2.46 3.07 -1.65 -0.87 117.51 122.92 2tmd h ILE 63 Ca -0.46 -0.57 0.02 0.00 1.55 0.00 0.00 64.86 65.40 2tmd h ILE 63 Cb 1.27 1.44 -0.21 0.00 -0.27 0.00 0.00 36.82 39.05 2tmd h ILE 63 CO 0.90 0.00 0.38 0.21 -1.05 0.00 0.00 178.15 178.58 2tmd s ASN 64 N -4.70 -0.51 0.00 2.16 2.47 -1.26 -4.63 114.94 108.47 2tmd s ASN 64 Ca 0.09 0.60 0.07 0.00 0.42 0.00 0.00 52.86 54.04 2tmd s ASN 64 Cb 0.12 0.47 0.34 0.00 -1.45 0.00 0.00 41.25 40.73 2tmd s ASN 64 CO 0.64 -0.44 1.18 -0.81 -3.72 0.00 0.00 177.10 173.95 2tmd n PRO 65 N 0.95 0.04 -0.11 0.43 -0.04 -1.26 -0.29 135.00 134.72 2tmd n PRO 65 Ca -0.14 0.31 0.07 0.00 -0.04 0.00 0.00 63.50 63.69 2tmd n PRO 65 Cb 0.57 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.76 2tmd n PRO 65 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2tmd n GLU 66 N -1.41 1.61 -3.32 0.54 0.28 -1.26 -3.69 120.64 113.39 2tmd n GLU 66 Ca 0.03 -0.94 -0.26 0.00 -0.16 0.00 0.00 57.16 55.82 2tmd n GLU 66 Cb 0.07 -1.27 -0.07 0.00 1.43 0.00 0.00 31.44 31.60 2tmd n GLU 66 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2tmd n SER 67 N 0.22 2.89 -4.46 -1.84 2.88 0.60 -4.31 113.62 109.60 2tmd n SER 67 Ca 0.12 -3.27 -0.36 0.00 -1.33 0.00 0.00 58.87 54.03 2tmd n SER 67 Cb 0.25 -0.65 -0.12 0.00 -0.75 0.00 0.00 64.21 62.93 2tmd n SER 67 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2tmd s ASP 68 N -2.25 5.05 0.00 -3.46 2.15 -1.24 -4.73 116.67 112.19 2tmd s ASP 68 Ca 0.39 -0.18 0.28 0.00 0.43 0.00 0.00 52.55 53.47 2tmd s ASP 68 Cb 0.17 -1.89 1.00 0.00 -0.30 0.00 0.00 42.92 41.91 2tmd s ASP 68 CO -0.05 0.02 1.72 -0.67 -0.17 0.00 0.00 175.17 176.03 2tmd n ASP 69 N 4.53 1.32 -4.61 -0.34 2.03 -1.26 -0.10 116.55 118.11 2tmd n ASP 69 Ca -0.17 -1.31 -0.61 0.00 0.52 0.00 0.00 54.79 53.23 2tmd n ASP 69 Cb 0.52 0.03 -0.08 0.00 -0.72 0.00 0.00 41.12 40.86 2tmd n ASP 69 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2tmd n THR 70 N -0.09 0.03 1.42 5.18 -1.04 -1.26 -0.12 114.28 118.40 2tmd n THR 70 Ca 0.17 -0.01 0.14 0.00 -2.04 0.00 0.00 64.05 62.32 2tmd n THR 70 Cb 0.35 -0.41 0.68 0.00 -1.82 0.00 0.00 70.33 69.13 2tmd n THR 70 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2tmd n HIS 71 N 2.84 0.00 -2.32 -1.42 1.44 -1.26 -2.52 115.22 111.97 2tmd n HIS 71 Ca 0.24 0.00 -0.28 0.00 -2.01 0.00 0.00 57.72 55.66 2tmd n HIS 71 Cb 0.06 -0.23 0.01 0.00 0.12 0.00 0.00 29.99 29.95 2tmd n HIS 71 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 2tmd s ARG 72 N -2.52 3.42 -0.34 -1.40 0.52 0.83 -3.06 118.95 116.40 2tmd s ARG 72 Ca 0.29 0.35 -0.09 0.00 -0.52 0.00 0.00 55.73 55.75 2tmd s ARG 72 Cb 0.20 -2.25 0.02 0.00 0.52 0.00 0.00 34.95 33.44 2tmd s ARG 72 CO 0.47 -0.44 0.15 -1.17 0.02 0.00 0.00 175.30 174.33 2tmd s LEU 73 N -4.95 4.32 0.42 2.53 2.96 -1.26 -4.43 118.68 118.27 2tmd s LEU 73 Ca 0.51 -0.84 0.08 0.00 -0.22 0.00 0.00 54.13 53.66 2tmd s LEU 73 Cb -0.11 -1.96 -0.01 0.00 0.50 0.00 0.00 46.19 44.61 2tmd s LEU 73 CO 0.48 -0.29 0.47 -0.94 -1.32 0.00 0.00 176.35 174.75 2tmd s SER 74 N 1.53 5.33 0.75 3.68 1.04 -1.26 -4.75 113.70 120.02 2tmd s SER 74 Ca 0.02 -0.60 -0.11 0.00 0.48 0.00 0.00 55.95 55.74 2tmd s SER 74 Cb -0.18 -0.60 0.04 0.00 0.10 0.00 0.00 66.02 65.38 2tmd s SER 74 CO 0.05 -0.71 1.08 0.00 0.98 0.00 0.00 173.24 174.64 2tmd s ALA 75 N -2.42 2.45 -0.02 5.32 0.00 -0.46 -4.16 121.76 122.47 2tmd s ALA 75 Ca 0.51 -0.05 -0.00 0.00 0.00 0.00 0.00 51.96 52.42 2tmd s ALA 75 Cb -0.06 -3.15 0.02 0.00 0.00 0.00 0.00 23.12 19.93 2tmd s ALA 75 CO 0.30 -1.49 0.04 1.03 0.00 0.00 0.00 175.76 175.64 2tmd s ARG 76 N -5.09 -0.01 -0.58 0.00 0.52 -1.26 -0.52 118.95 112.01 2tmd s ARG 76 Ca 0.59 0.15 0.05 0.00 -0.52 0.00 0.00 55.73 56.00 2tmd s ARG 76 Cb -0.14 -0.15 0.35 0.00 0.52 0.00 0.00 34.95 35.53 2tmd s ARG 76 CO 0.55 -0.11 1.02 1.51 0.02 0.00 0.00 175.30 178.28 2tmd n ILE 77 N 3.79 3.10 0.07 1.52 3.06 -0.33 -4.75 119.36 125.82 2tmd n ILE 77 Ca -0.22 -5.50 -0.14 0.00 -2.50 0.00 0.00 62.75 54.39 2tmd n ILE 77 Cb 0.54 -1.38 -0.06 0.00 0.54 0.00 0.00 39.64 39.27 2tmd n ILE 77 CO 0.00 0.00 0.00 -0.50 -2.50 0.00 0.00 176.55 173.55 2tmd h TRP 78 N 2.97 0.63 -1.77 9.51 6.55 -1.82 -3.45 115.95 128.57 2tmd h TRP 78 Ca 0.18 -0.36 0.00 0.00 0.95 0.00 0.00 58.89 59.66 2tmd h TRP 78 Cb 0.55 -0.07 0.00 0.00 -0.86 0.00 0.00 29.16 28.79 2tmd h TRP 78 CO 0.86 1.19 0.00 -0.40 -1.05 0.00 0.00 178.44 179.04 2tmd n ASP 79 N -3.73 0.00 0.09 -3.49 5.68 -1.26 -5.03 116.55 108.81 2tmd n ASP 79 Ca -0.07 -0.77 -0.06 0.00 -0.50 0.00 0.00 54.79 53.39 2tmd n ASP 79 Cb 0.86 0.00 0.07 0.00 -1.14 0.00 0.00 41.12 40.91 2tmd n ASP 79 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2tmd h GLU 80 N 0.00 0.18 -0.55 0.11 3.07 -1.95 -2.24 114.58 113.19 2tmd h GLU 80 Ca 0.00 -0.15 0.04 0.00 -0.50 0.00 0.00 59.36 58.75 2tmd h GLU 80 Cb 0.00 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 27.91 2tmd h GLU 80 CO 0.00 0.82 0.37 0.78 -1.40 0.00 0.00 179.01 179.58 2tmd h GLY 81 N 1.73 0.71 1.27 -3.84 0.00 -1.96 -1.99 103.07 98.99 2tmd h GLY 81 Ca -0.02 -0.24 -0.27 0.00 0.00 0.00 0.00 47.33 46.80 2tmd h GLY 81 CO 0.11 0.20 -1.06 -0.55 0.00 0.00 0.00 176.54 175.24 2tmd h ASP 82 N 0.61 0.85 -0.97 0.19 3.32 -1.76 -2.94 116.42 115.73 2tmd h ASP 82 Ca 0.23 -0.70 0.08 0.00 0.02 0.00 0.00 57.03 56.66 2tmd h ASP 82 Cb 0.14 -0.26 -0.07 0.00 0.22 0.00 0.00 39.33 39.36 2tmd h ASP 82 CO -0.06 1.50 0.61 0.58 -1.72 0.00 0.00 179.24 180.15 2tmd h VAL 83 N 0.36 1.01 -0.19 -1.35 2.07 -0.93 -0.43 116.25 116.79 2tmd h VAL 83 Ca -0.13 -0.36 -0.20 0.00 0.82 0.00 0.00 66.70 66.83 2tmd h VAL 83 Cb 1.71 -0.14 0.01 0.00 -1.52 0.00 0.00 31.29 31.35 2tmd h VAL 83 CO 0.20 0.19 -0.66 0.08 0.02 0.00 0.00 177.57 177.40 2tmd h ARG 84 N 1.06 0.78 -0.54 1.57 0.11 -1.43 -1.64 114.38 114.29 2tmd h ARG 84 Ca 0.44 -0.59 -0.06 0.00 0.10 0.00 0.00 59.98 59.87 2tmd h ARG 84 Cb 0.28 0.11 -0.02 0.00 1.11 0.00 0.00 29.97 31.45 2tmd h ARG 84 CO -0.21 1.21 0.09 -0.91 0.10 0.00 0.00 179.97 180.25 2tmd h ASN 85 N 0.51 0.86 0.40 0.08 4.21 -1.29 -2.97 115.58 117.37 2tmd h ASN 85 Ca -0.03 -0.26 -0.12 0.00 1.21 0.00 0.00 56.30 57.10 2tmd h ASN 85 Cb 1.29 -0.23 -0.01 0.00 -1.12 0.00 0.00 38.32 38.25 2tmd h ASN 85 CO 0.14 0.90 -0.50 -0.07 -1.29 0.00 0.00 177.43 176.61 2tmd h LEU 86 N 0.78 0.14 -1.51 1.61 4.07 -1.11 -3.04 115.31 116.25 2tmd h LEU 86 Ca 0.16 -0.07 -0.03 0.00 0.08 0.00 0.00 57.88 58.03 2tmd h LEU 86 Cb 0.41 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.10 2tmd h LEU 86 CO 0.01 0.62 -0.02 0.50 -1.08 0.00 0.00 178.44 178.47 2tmd h LYS 87 N 0.10 0.29 -0.99 1.13 3.64 -1.14 -1.79 116.57 117.82 2tmd h LYS 87 Ca 0.00 -0.05 0.21 0.00 -1.27 0.00 0.00 60.65 59.55 2tmd h LYS 87 Cb 0.93 -0.05 -0.12 0.00 -0.41 0.00 0.00 32.23 32.58 2tmd h LYS 87 CO 0.07 0.34 0.58 0.00 -2.27 0.00 0.00 179.45 178.17 2tmd h ALA 88 N 1.70 1.68 -0.02 5.00 0.00 -1.44 0.45 119.26 126.64 2tmd h ALA 88 Ca 0.07 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2tmd h ALA 88 Cb 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2tmd h ALA 88 CO 0.01 -0.17 -0.07 1.98 0.00 0.00 0.00 179.25 181.00 2tmd h MET 89 N 0.65 0.08 -0.29 0.00 1.85 -1.48 -2.75 114.93 112.99 2tmd h MET 89 Ca 0.60 -0.06 -0.08 0.00 -0.61 0.00 0.00 59.70 59.55 2tmd h MET 89 Cb 1.04 0.01 -0.02 0.00 0.43 0.00 0.00 31.60 33.06 2tmd h MET 89 CO -0.43 0.69 -0.15 1.79 -0.40 0.00 0.00 176.91 178.40 2tmd h THR 90 N -0.51 1.24 -0.47 -0.77 1.35 -1.10 -1.20 112.91 111.46 2tmd h THR 90 Ca -0.00 -1.09 -0.02 0.00 -0.55 0.00 0.00 66.41 64.74 2tmd h THR 90 Cb 0.70 1.19 -0.02 0.00 -1.73 0.00 0.00 68.15 68.28 2tmd h THR 90 CO 0.01 0.36 0.20 0.44 -0.25 0.00 0.00 175.52 176.28 2tmd h ASP 91 N 0.47 0.63 0.69 5.36 3.32 -0.98 -1.92 116.42 123.99 2tmd h ASP 91 Ca 0.08 -0.15 -0.14 0.00 0.02 0.00 0.00 57.03 56.84 2tmd h ASP 91 Cb 0.54 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 2tmd h ASP 91 CO 0.03 0.61 -0.67 -0.08 -1.72 0.00 0.00 179.24 177.41 2tmd h GLU 92 N 0.61 0.00 0.00 3.56 4.57 -1.09 -1.05 114.58 121.18 2tmd h GLU 92 Ca 0.16 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.24 2tmd h GLU 92 Cb 0.16 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 2tmd h GLU 92 CO -0.02 0.67 -0.49 -0.39 -1.18 0.00 0.00 179.01 177.61 2tmd h VAL 93 N 0.00 0.76 -0.43 0.32 -1.51 -1.26 -3.27 116.25 110.86 2tmd h VAL 93 Ca -0.01 -2.08 -0.15 0.00 -1.23 0.00 0.00 66.70 63.23 2tmd h VAL 93 Cb 1.20 2.36 -0.01 0.00 -2.13 0.00 0.00 31.29 32.71 2tmd h VAL 93 CO 0.09 0.43 -0.31 0.45 -1.23 0.00 0.00 177.57 177.01 2tmd h HIS 94 N 0.00 1.13 -0.98 5.19 3.86 -0.91 -1.47 115.15 121.96 2tmd h HIS 94 Ca -0.01 -0.31 0.30 0.00 -1.16 0.00 0.00 60.37 59.19 2tmd h HIS 94 Cb 1.35 -0.25 -0.15 0.00 1.06 0.00 0.00 27.41 29.43 2tmd h HIS 94 CO 0.00 1.13 0.49 -0.22 0.86 0.00 0.00 177.93 180.20 2tmd h LYS 95 N 0.80 0.30 -0.62 2.45 3.64 -1.25 0.32 116.57 122.22 2tmd h LYS 95 Ca 0.08 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 2tmd h LYS 95 Cb 0.89 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.64 2tmd h LYS 95 CO 0.08 0.20 0.02 0.66 -2.27 0.00 0.00 179.45 178.14 2tmd n TYR 96 N -5.08 2.00 -1.30 1.91 4.01 -1.08 -4.92 117.16 112.69 2tmd n TYR 96 Ca 0.29 -0.71 -0.06 0.00 -0.16 0.00 0.00 57.90 57.26 2tmd n TYR 96 Cb 0.90 -0.50 -0.02 0.00 -0.31 0.00 0.00 39.34 39.41 2tmd n TYR 96 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2tmd n GLY 97 N 0.55 0.71 3.85 2.72 0.00 0.11 -4.68 105.19 108.45 2tmd n GLY 97 Ca 0.27 -0.79 -0.22 0.00 0.00 0.00 0.00 46.02 45.29 2tmd n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2tmd s ALA 98 N -2.22 3.68 0.50 4.61 0.00 -0.58 -4.94 121.76 122.82 2tmd s ALA 98 Ca 0.00 -1.44 -0.11 0.00 0.00 0.00 0.00 51.96 50.41 2tmd s ALA 98 Cb 0.00 -1.34 -0.05 0.00 0.00 0.00 0.00 23.12 21.73 2tmd s ALA 98 CO 0.00 0.20 0.88 -0.51 0.00 0.00 0.00 175.76 176.33 2tmd s LEU 99 N -3.89 3.59 -0.03 0.00 1.43 -0.80 -4.02 118.68 114.96 2tmd s LEU 99 Ca 0.35 1.25 0.06 0.00 -1.03 0.00 0.00 54.13 54.76 2tmd s LEU 99 Cb -0.08 -4.20 -0.01 0.00 0.03 0.00 0.00 46.19 41.93 2tmd s LEU 99 CO 0.26 -0.60 -0.22 0.00 0.23 0.00 0.00 176.35 176.02 2tmd s ALA 100 N -2.71 1.87 0.10 4.21 0.00 -1.26 -1.20 121.76 122.77 2tmd s ALA 100 Ca 0.53 -0.93 0.06 0.00 0.00 0.00 0.00 51.96 51.62 2tmd s ALA 100 Cb -0.10 -0.54 -0.03 0.00 0.00 0.00 0.00 23.12 22.45 2tmd s ALA 100 CO 0.40 0.41 -0.15 0.20 0.00 0.00 0.00 175.76 176.62 2tmd s GLY 101 N -0.30 1.01 -0.02 0.00 0.00 0.09 -0.24 107.32 107.87 2tmd s GLY 101 Ca 0.02 -1.18 0.06 0.00 0.00 0.00 0.00 44.72 43.62 2tmd s GLY 101 CO 0.01 -1.22 -0.19 0.54 0.00 0.00 0.00 173.10 172.25 2tmd s VAL 102 N -1.72 1.48 -0.46 1.40 0.11 -0.60 -1.44 120.40 119.16 2tmd s VAL 102 Ca 0.04 -0.80 -0.09 0.00 -2.93 0.00 0.00 61.98 58.21 2tmd s VAL 102 Cb -0.07 -1.23 0.12 0.00 -1.53 0.00 0.00 36.38 33.66 2tmd s VAL 102 CO 0.03 0.42 0.33 -0.70 -3.33 0.00 0.00 175.10 171.85 2tmd s GLU 103 N -0.39 2.43 -0.03 1.54 2.12 -1.26 -1.28 118.70 121.82 2tmd s GLU 103 Ca 0.06 -1.77 -0.30 0.00 0.36 0.00 0.00 54.97 53.32 2tmd s GLU 103 Cb -0.08 -3.89 -0.04 0.00 0.26 0.00 0.00 34.13 30.38 2tmd s GLU 103 CO -0.00 -1.18 1.31 -0.51 -0.54 0.00 0.00 175.26 174.34 2tmd s LEU 104 N 1.34 4.30 -0.04 2.70 1.43 -0.80 -0.04 118.68 127.56 2tmd s LEU 104 Ca 0.06 1.97 0.04 0.00 -1.03 0.00 0.00 54.13 55.17 2tmd s LEU 104 Cb -0.26 -3.56 -0.00 0.00 0.03 0.00 0.00 46.19 42.40 2tmd s LEU 104 CO -0.01 -0.66 -0.15 0.86 0.23 0.00 0.00 176.35 176.61 2tmd s TRP 105 N 2.36 1.55 -0.04 0.29 -0.00 0.36 -2.68 118.94 120.78 2tmd s TRP 105 Ca 0.60 -0.45 -0.00 0.00 -0.00 0.00 0.00 56.10 56.26 2tmd s TRP 105 Cb -0.28 -1.06 0.03 0.00 -0.00 0.00 0.00 33.47 32.16 2tmd s TRP 105 CO 0.24 -0.16 -0.01 -0.47 -0.00 0.00 0.00 176.95 176.55 2tmd s TYR 106 N 0.11 0.48 -0.70 5.86 6.14 -1.26 -1.79 117.35 126.20 2tmd s TYR 106 Ca -0.04 -0.07 0.24 0.00 0.64 0.00 0.00 57.07 57.83 2tmd s TYR 106 Cb -0.11 -0.57 0.22 0.00 0.42 0.00 0.00 41.96 41.93 2tmd s TYR 106 CO 0.02 -0.19 1.19 0.41 0.64 0.00 0.00 175.55 177.62 2tmd n GLY 107 N 4.44 -1.28 7.00 8.97 0.00 -1.26 -2.07 105.19 120.98 2tmd n GLY 107 Ca -0.20 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2tmd n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2tmd n GLY 108 N 1.38 1.82 0.00 -0.02 0.00 -1.26 -2.82 105.19 104.30 2tmd n GLY 108 Ca 0.03 -0.55 0.14 0.00 0.00 0.00 0.00 46.02 45.64 2tmd n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2tmd n ALA 109 N 7.20 2.44 0.23 4.61 0.00 -1.26 -2.76 120.51 130.98 2tmd n ALA 109 Ca 0.00 -0.15 0.11 0.00 0.00 0.00 0.00 53.44 53.41 2tmd n ALA 109 Cb 0.00 -1.46 0.50 0.00 0.00 0.00 0.00 19.45 18.49 2tmd n ALA 109 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2tmd h HIS 110 N 0.00 0.00 -3.51 0.00 3.86 -1.86 -3.41 115.15 110.23 2tmd h HIS 110 Ca 0.00 0.00 -0.61 0.00 -1.16 0.00 0.00 60.37 58.60 2tmd h HIS 110 Cb 0.20 0.00 -0.11 0.00 1.06 0.00 0.00 27.41 28.56 2tmd h HIS 110 CO 0.00 0.18 0.37 0.00 0.86 0.00 0.00 177.93 179.34 2tmd s ALA 111 N -3.66 3.45 -0.64 2.45 0.00 -1.11 -4.71 121.76 117.54 2tmd s ALA 111 Ca 0.01 -0.61 0.24 0.00 0.00 0.00 0.00 51.96 51.60 2tmd s ALA 111 Cb 0.10 -3.34 0.91 0.00 0.00 0.00 0.00 23.12 20.79 2tmd s ALA 111 CO 0.62 -1.42 1.73 -0.35 0.00 0.00 0.00 175.76 176.34 2tmd n PRO 112 N 6.36 0.19 -3.79 0.00 -0.04 -1.24 -4.78 135.00 131.71 2tmd n PRO 112 Ca 0.03 0.31 -0.27 0.00 -0.04 0.00 0.00 63.50 63.53 2tmd n PRO 112 Cb 0.48 -1.80 0.04 0.00 -0.04 0.00 0.00 33.50 32.19 2tmd n PRO 112 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2tmd n ASN 113 N -2.15 -4.33 0.14 3.54 5.03 0.86 -4.85 115.26 113.50 2tmd n ASN 113 Ca 0.04 -0.73 0.13 0.00 0.87 0.00 0.00 54.58 54.89 2tmd n ASN 113 Cb 0.30 -4.21 0.44 0.00 -1.02 0.00 0.00 39.78 35.30 2tmd n ASN 113 CO 0.00 0.00 0.00 0.24 -1.83 0.00 0.00 177.26 175.67 2tmd h MET 114 N -2.17 0.00 0.00 3.52 2.86 -1.66 0.43 114.93 117.91 2tmd h MET 114 Ca -0.58 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 56.94 2tmd h MET 114 Cb 1.37 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.01 2tmd h MET 114 CO 0.62 0.00 -0.79 1.49 1.06 0.00 0.00 176.91 179.30 2tmd h GLU 115 N 0.00 0.00 -0.12 1.72 4.81 -1.88 -3.41 114.58 115.70 2tmd h GLU 115 Ca 0.00 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.07 2tmd h GLU 115 Cb 0.61 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 2tmd h GLU 115 CO 0.00 0.62 -0.59 0.66 -0.73 0.00 0.00 179.01 178.96 2tmd h SER 116 N -1.00 0.44 -0.32 1.04 4.64 -1.81 -3.47 113.55 113.07 2tmd h SER 116 Ca -0.18 -0.25 -0.14 0.00 -0.47 0.00 0.00 61.79 60.76 2tmd h SER 116 Cb 0.92 -0.13 -0.05 0.00 -0.31 0.00 0.00 62.40 62.83 2tmd h SER 116 CO -0.11 0.93 -0.13 0.54 -0.87 0.00 0.00 176.83 177.20 2tmd n ARG 117 N -3.91 -1.19 -1.64 4.77 1.74 0.14 -5.01 116.66 111.57 2tmd n ARG 117 Ca -0.03 0.65 -0.30 0.00 -0.77 0.00 0.00 57.85 57.40 2tmd n ARG 117 Cb 0.62 -4.72 0.07 0.00 -1.02 0.00 0.00 32.46 27.41 2tmd n ARG 117 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2tmd s ALA 118 N -1.89 2.50 -0.21 7.54 0.00 -1.26 -5.03 121.76 123.42 2tmd s ALA 118 Ca 0.00 -0.17 -0.15 0.00 0.00 0.00 0.00 51.96 51.64 2tmd s ALA 118 Cb 0.00 -3.10 -0.04 0.00 0.00 0.00 0.00 23.12 19.98 2tmd s ALA 118 CO 0.00 -1.46 0.38 0.99 0.00 0.00 0.00 175.76 175.67 2tmd s THR 119 N -3.17 5.21 0.45 0.00 2.01 -1.26 -4.87 115.64 114.01 2tmd s THR 119 Ca 0.59 0.67 -0.21 0.00 0.31 0.00 0.00 61.69 63.05 2tmd s THR 119 Cb -0.13 -3.71 -0.09 0.00 0.01 0.00 0.00 72.50 68.57 2tmd s THR 119 CO 0.54 0.25 1.02 -2.16 -0.69 0.00 0.00 174.62 173.58 2tmd s PRO 120 N 1.34 3.98 0.14 4.92 0.04 -1.26 -4.89 135.00 139.27 2tmd s PRO 120 Ca 0.18 1.34 0.06 0.00 0.04 0.00 0.00 61.00 62.63 2tmd s PRO 120 Cb -0.15 -2.22 -0.04 0.00 0.04 0.00 0.00 34.50 32.13 2tmd s PRO 120 CO 0.08 -0.27 0.01 1.03 0.04 0.00 0.00 177.00 177.88 2tmd s ARG 121 N -3.04 2.48 0.29 4.56 0.52 -1.26 -0.98 118.95 121.53 2tmd s ARG 121 Ca 0.64 -1.00 -0.06 0.00 -0.52 0.00 0.00 55.73 54.79 2tmd s ARG 121 Cb -0.16 -2.44 -0.00 0.00 0.52 0.00 0.00 34.95 32.87 2tmd s ARG 121 CO 0.20 0.49 0.44 0.20 0.02 0.00 0.00 175.30 176.65 2tmd s GLY 122 N -2.74 1.14 0.22 -3.53 0.00 0.40 -4.39 107.32 98.42 2tmd s GLY 122 Ca 0.27 -1.31 -0.08 0.00 0.00 0.00 0.00 44.72 43.60 2tmd s GLY 122 CO 0.19 -0.91 1.84 -0.56 0.00 0.00 0.00 173.10 173.66 2tmd h PRO 123 N 2.22 0.84 -4.21 2.90 0.13 -1.90 0.85 132.00 132.82 2tmd h PRO 123 Ca -0.29 -0.05 -0.16 0.00 -0.87 0.00 0.00 66.00 64.64 2tmd h PRO 123 Cb 1.24 -0.19 -0.18 0.00 0.13 0.00 0.00 31.00 32.01 2tmd h PRO 123 CO 0.39 0.55 -0.69 -1.12 -0.23 0.00 0.00 178.00 176.90 2tmd s SER 124 N -5.72 0.49 -0.03 1.44 0.01 -1.26 -4.38 113.70 104.25 2tmd s SER 124 Ca -0.13 -0.79 -0.30 0.00 1.31 0.00 0.00 55.95 56.04 2tmd s SER 124 Cb 0.17 0.14 -0.05 0.00 0.21 0.00 0.00 66.02 66.49 2tmd s SER 124 CO 0.78 -0.45 1.36 -1.58 0.41 0.00 0.00 173.24 173.76 2tmd s GLN 125 N -2.86 4.28 0.03 12.44 0.74 -1.26 -4.61 119.66 128.42 2tmd s GLN 125 Ca -0.02 1.89 -0.10 0.00 0.05 0.00 0.00 55.36 57.18 2tmd s GLN 125 Cb -0.00 -3.62 0.00 0.00 1.10 0.00 0.00 33.01 30.50 2tmd s GLN 125 CO -0.06 -0.58 0.20 1.52 -0.55 0.00 0.00 175.29 175.82 2tmd s TYR 126 N 2.58 0.03 -0.19 1.67 1.13 -1.26 -4.96 117.35 116.35 2tmd s TYR 126 Ca 0.62 -0.21 -0.23 0.00 -1.41 0.00 0.00 57.07 55.84 2tmd s TYR 126 Cb -0.29 -0.02 -0.02 0.00 -1.10 0.00 0.00 41.96 40.53 2tmd s TYR 126 CO 0.25 -0.41 0.73 0.00 -2.51 0.00 0.00 175.55 173.61 2tmd s ALA 127 N -2.31 3.54 0.30 9.51 0.00 -1.26 -2.22 121.76 129.32 2tmd s ALA 127 Ca -0.07 -0.13 -0.30 0.00 0.00 0.00 0.00 51.96 51.46 2tmd s ALA 127 Cb -0.02 -3.11 -0.12 0.00 0.00 0.00 0.00 23.12 19.87 2tmd s ALA 127 CO -0.02 -0.63 1.49 0.45 0.00 0.00 0.00 175.76 177.05 2tmd n SER 128 N 5.20 3.42 0.02 0.00 2.88 -0.63 -4.87 113.62 119.65 2tmd n SER 128 Ca 0.02 1.17 0.13 0.00 -1.33 0.00 0.00 58.87 58.85 2tmd n SER 128 Cb 0.49 -1.54 0.55 0.00 -0.75 0.00 0.00 64.21 62.96 2tmd n SER 128 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2tmd n GLU 129 N 1.60 0.04 -0.11 -1.46 0.00 -1.26 -2.48 120.64 116.97 2tmd n GLU 129 Ca 0.07 0.07 -0.20 0.00 0.00 0.00 0.00 57.16 57.11 2tmd n GLU 129 Cb 0.36 -1.56 -0.07 0.00 0.00 0.00 0.00 31.44 30.17 2tmd n GLU 129 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 2tmd n PHE 130 N -1.63 0.16 -3.46 -1.84 7.35 -1.26 -4.71 117.46 112.07 2tmd n PHE 130 Ca 0.06 0.07 -0.43 0.00 -0.76 0.00 0.00 57.45 56.39 2tmd n PHE 130 Cb 0.33 -0.80 -0.04 0.00 0.35 0.00 0.00 39.48 39.32 2tmd n PHE 130 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 2tmd s GLU 131 N -2.63 3.45 0.18 -4.13 0.41 -1.22 -4.93 118.70 109.83 2tmd s GLU 131 Ca -0.33 -2.74 0.21 0.00 -0.41 0.00 0.00 54.97 51.71 2tmd s GLU 131 Cb 0.09 -4.24 0.88 0.00 -1.78 0.00 0.00 34.13 29.08 2tmd s GLU 131 CO 0.46 -1.25 1.64 0.25 -0.49 0.00 0.00 175.26 175.87 2tmd n THR 132 N 3.39 0.87 -0.32 3.63 -2.24 -1.04 -0.50 114.28 118.08 2tmd n THR 132 Ca 0.16 0.23 0.12 0.00 -2.27 0.00 0.00 64.05 62.28 2tmd n THR 132 Cb 0.42 -1.11 0.32 0.00 -2.10 0.00 0.00 70.33 67.86 2tmd n THR 132 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2tmd n LEU 133 N -2.03 3.94 -4.50 3.22 4.77 -1.26 -4.75 117.00 116.40 2tmd n LEU 133 Ca 0.03 -1.96 -0.37 0.00 -0.03 0.00 0.00 56.01 53.68 2tmd n LEU 133 Cb 0.22 -0.48 -0.12 0.00 -2.33 0.00 0.00 43.42 40.71 2tmd n LEU 133 CO 0.18 0.98 -0.24 -0.55 -1.33 0.00 0.00 177.39 176.42 2tmd s SER 134 N -1.04 5.45 0.21 -1.43 0.15 0.34 -5.04 113.70 112.33 2tmd s SER 134 Ca 0.49 -0.14 0.09 0.00 0.70 0.00 0.00 55.95 57.09 2tmd s SER 134 Cb 0.26 -1.99 -0.04 0.00 -1.71 0.00 0.00 66.02 62.53 2tmd s SER 134 CO 0.34 -0.04 -0.08 -0.31 1.20 0.00 0.00 173.24 174.34 2tmd s TYR 135 N 1.67 2.62 0.31 3.44 1.51 -1.26 -1.60 117.35 124.04 2tmd s TYR 135 Ca 0.07 -0.23 0.10 0.00 -1.01 0.00 0.00 57.07 56.00 2tmd s TYR 135 Cb -0.15 -1.24 -0.05 0.00 -0.11 0.00 0.00 41.96 40.40 2tmd s TYR 135 CO 0.06 0.55 -0.06 0.00 -1.11 0.00 0.00 175.55 174.99 2tmd s LYS 137 N -3.64 4.62 0.14 0.00 2.20 -0.15 -4.33 119.74 118.58 2tmd s LYS 137 Ca 0.33 1.25 -0.31 0.00 -0.36 0.00 0.00 55.97 56.87 2tmd s LYS 137 Cb -0.02 -3.33 -0.08 0.00 -1.51 0.00 0.00 37.83 32.89 2tmd s LYS 137 CO 0.18 0.38 1.36 -2.00 -0.36 0.00 0.00 175.35 174.90 2tmd s GLU 138 N -0.50 4.35 0.18 4.03 2.12 -1.26 -0.45 118.70 127.16 2tmd s GLU 138 Ca 0.40 2.06 -0.30 0.00 0.36 0.00 0.00 54.97 57.49 2tmd s GLU 138 Cb -0.23 -3.23 -0.08 0.00 0.26 0.00 0.00 34.13 30.86 2tmd s GLU 138 CO 0.27 -0.37 1.10 -1.64 -0.54 0.00 0.00 175.26 174.08 2tmd s MET 139 N 0.66 4.60 0.69 4.30 -1.94 0.29 -4.85 119.30 123.05 2tmd s MET 139 Ca 0.62 1.71 -0.00 0.00 -1.71 0.00 0.00 55.69 56.30 2tmd s MET 139 Cb -0.37 -3.28 0.14 0.00 2.01 0.00 0.00 34.83 33.33 2tmd s MET 139 CO 0.33 0.08 0.94 -0.40 -0.01 0.00 0.00 175.02 175.96 2tmd n ASP 140 N 2.38 1.25 0.23 3.03 5.68 -1.26 -4.90 116.55 122.96 2tmd n ASP 140 Ca 0.03 -2.06 0.10 0.00 -0.50 0.00 0.00 54.79 52.36 2tmd n ASP 140 Cb 0.46 -0.61 0.66 0.00 -1.14 0.00 0.00 41.12 40.49 2tmd n ASP 140 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 2tmd h LEU 141 N 0.00 0.00 -0.11 -2.12 4.07 -1.99 -0.78 115.31 114.39 2tmd h LEU 141 Ca -0.31 0.00 -0.19 0.00 0.08 0.00 0.00 57.88 57.46 2tmd h LEU 141 Cb 1.14 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.89 2tmd h LEU 141 CO 0.33 0.00 -0.69 0.28 -1.08 0.00 0.00 178.44 177.28 2tmd h SER 142 N 0.00 0.79 -0.83 -0.43 0.02 -1.99 -2.13 113.55 108.98 2tmd h SER 142 Ca 0.03 -0.66 0.09 0.00 -0.84 0.00 0.00 61.79 60.42 2tmd h SER 142 Cb 0.13 -0.24 -0.07 0.00 0.14 0.00 0.00 62.40 62.36 2tmd h SER 142 CO -0.00 1.32 0.48 0.44 -1.14 0.00 0.00 176.83 177.93 2tmd h ASP 143 N 0.32 0.69 -0.35 3.07 3.32 -1.65 0.31 116.42 122.12 2tmd h ASP 143 Ca -0.06 0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 2tmd h ASP 143 Cb 1.34 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.78 2tmd h ASP 143 CO 0.14 0.40 0.10 0.40 -1.72 0.00 0.00 179.24 178.56 2tmd h ILE 144 N 0.81 1.22 -0.43 0.35 2.04 -1.12 -0.74 117.51 119.63 2tmd h ILE 144 Ca 0.40 -0.72 -0.10 0.00 1.00 0.00 0.00 64.86 65.44 2tmd h ILE 144 Cb 0.35 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 2tmd h ILE 144 CO -0.24 0.24 -0.14 0.00 0.00 0.00 0.00 178.15 178.01 2tmd h ALA 145 N 0.94 0.94 -0.27 1.87 0.00 -0.96 -1.46 119.26 120.32 2tmd h ALA 145 Ca 0.11 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 2tmd h ALA 145 Cb 0.28 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2tmd h ALA 145 CO -0.00 0.62 -0.05 0.37 0.00 0.00 0.00 179.25 180.19 2tmd h GLN 146 N 0.71 0.52 -0.12 0.00 4.15 -0.66 -1.21 115.11 118.50 2tmd h GLN 146 Ca 0.11 -0.19 -0.11 0.00 0.77 0.00 0.00 58.65 59.24 2tmd h GLN 146 Cb 0.64 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.29 2tmd h GLN 146 CO 0.04 0.71 -0.40 0.28 -1.93 0.00 0.00 178.83 177.54 2tmd h VAL 147 N 0.28 1.30 -0.10 2.39 2.07 -1.08 -0.29 116.25 120.83 2tmd h VAL 147 Ca 0.07 -1.49 -0.07 0.00 0.82 0.00 0.00 66.70 66.03 2tmd h VAL 147 Cb 0.51 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 2tmd h VAL 147 CO 0.02 0.45 -0.24 1.56 0.02 0.00 0.00 177.57 179.38 2tmd h GLN 148 N 0.22 0.18 -0.17 1.57 4.20 -1.07 -1.07 115.11 118.98 2tmd h GLN 148 Ca 0.02 -0.05 -0.16 0.00 0.06 0.00 0.00 58.65 58.52 2tmd h GLN 148 Cb 0.80 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.56 2tmd h GLN 148 CO 0.06 0.41 -0.56 0.37 -0.67 0.00 0.00 178.83 178.45 2tmd h GLN 149 N 0.16 0.51 -0.69 1.46 5.75 -0.60 -2.34 115.11 119.36 2tmd h GLN 149 Ca 0.03 -0.33 0.13 0.00 -0.15 0.00 0.00 58.65 58.33 2tmd h GLN 149 Cb 0.52 0.04 -0.09 0.00 1.07 0.00 0.00 27.48 29.01 2tmd h GLN 149 CO 0.04 0.94 0.21 0.74 -2.65 0.00 0.00 178.83 178.11 2tmd h PHE 150 N 0.39 0.35 -0.59 3.99 0.04 0.22 -0.19 116.94 121.16 2tmd h PHE 150 Ca 0.01 0.04 -0.04 0.00 2.80 0.00 0.00 57.97 60.77 2tmd h PHE 150 Cb 1.10 -0.05 -0.03 0.00 2.20 0.00 0.00 35.95 39.17 2tmd h PHE 150 CO 0.04 0.00 0.20 1.88 -0.60 0.00 0.00 178.31 179.83 2tmd h TYR 151 N 0.34 0.94 -0.42 -0.55 0.05 -0.92 -1.36 116.97 115.06 2tmd h TYR 151 Ca 0.38 -0.09 -0.10 0.00 0.05 0.00 0.00 58.73 58.97 2tmd h TYR 151 Cb 0.58 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 38.04 2tmd h TYR 151 CO -0.21 0.77 -0.12 0.28 -1.05 0.00 0.00 178.16 177.83 2tmd h VAL 152 N 0.83 1.28 -0.66 -2.88 2.07 -0.93 -1.13 116.25 114.83 2tmd h VAL 152 Ca 0.19 -1.24 -0.07 0.00 0.82 0.00 0.00 66.70 66.41 2tmd h VAL 152 Cb 0.27 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 2tmd h VAL 152 CO -0.01 0.42 0.14 0.44 0.02 0.00 0.00 177.57 178.58 2tmd h ASP 153 N 0.64 0.99 -0.22 0.57 3.32 -0.85 -2.11 116.42 118.77 2tmd h ASP 153 Ca 0.10 -0.21 -0.15 0.00 0.02 0.00 0.00 57.03 56.79 2tmd h ASP 153 Cb 0.66 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 2tmd h ASP 153 CO 0.05 0.97 -0.40 0.00 -1.72 0.00 0.00 179.24 178.13 2tmd h ALA 154 N 1.15 0.70 -0.98 3.45 0.00 -1.13 -2.44 119.26 120.02 2tmd h ALA 154 Ca 0.21 -0.45 0.02 0.00 0.00 0.00 0.00 54.91 54.69 2tmd h ALA 154 Cb 0.37 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 2tmd h ALA 154 CO 0.00 0.67 0.65 0.00 0.00 0.00 0.00 179.25 180.57 2tmd h ALA 155 N 0.93 1.33 -0.28 0.00 0.00 -0.81 0.14 119.26 120.56 2tmd h ALA 155 Ca 0.05 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 2tmd h ALA 155 Cb 0.95 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 2tmd h ALA 155 CO 0.09 0.61 -0.39 0.87 0.00 0.00 0.00 179.25 180.43 2tmd h LYS 156 N 1.29 0.75 -0.00 0.00 1.57 -1.27 -1.66 116.57 117.25 2tmd h LYS 156 Ca 0.37 -0.44 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 2tmd h LYS 156 Cb -0.09 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 2tmd h LYS 156 CO -0.09 1.06 -0.17 0.00 -0.57 0.00 0.00 179.45 179.68 2tmd h ARG 157 N 0.50 0.00 -0.52 3.15 3.08 -1.13 -1.08 114.38 118.39 2tmd h ARG 157 Ca 0.03 -0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.00 2tmd h ARG 157 Cb 0.98 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.01 2tmd h ARG 157 CO 0.09 0.18 0.01 0.77 -1.07 0.00 0.00 179.97 179.95 2tmd h SER 158 N 0.00 0.89 -0.57 7.04 0.02 -0.58 0.44 113.55 120.78 2tmd h SER 158 Ca -0.00 -0.30 -0.05 0.00 -0.84 0.00 0.00 61.79 60.59 2tmd h SER 158 Cb 0.31 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 2tmd h SER 158 CO 0.02 0.97 0.17 -0.09 -1.14 0.00 0.00 176.83 176.76 2tmd h ARG 159 N 0.78 0.94 -0.43 3.45 2.43 -0.36 -2.22 114.38 118.96 2tmd h ARG 159 Ca 0.15 -0.19 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 2tmd h ARG 159 Cb 0.51 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 2tmd h ARG 159 CO 0.02 0.83 0.12 -0.44 -1.51 0.00 0.00 179.97 179.00 2tmd h ASP 160 N 0.91 0.58 1.30 -3.80 3.32 -0.49 -2.05 116.42 116.19 2tmd h ASP 160 Ca 0.20 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.17 2tmd h ASP 160 Cb 0.30 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.70 2tmd h ASP 160 CO -0.00 0.57 0.00 0.00 -1.72 0.00 0.00 179.24 178.08 2tmd n ALA 161 N -2.47 2.17 0.00 3.45 0.00 0.08 -4.91 120.51 118.82 2tmd n ALA 161 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2tmd n ALA 161 Cb 0.19 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.18 2tmd n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2tmd n GLY 162 N 1.08 1.54 3.81 0.00 0.00 -0.77 -4.20 105.19 106.65 2tmd n GLY 162 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 2tmd n GLY 162 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2tmd s PHE 163 N -2.00 3.61 -0.14 1.61 0.08 -0.88 -4.80 117.98 115.47 2tmd s PHE 163 Ca 0.00 1.53 0.18 0.00 0.12 0.00 0.00 56.93 58.77 2tmd s PHE 163 Cb 0.00 -2.74 -0.25 0.00 -0.57 0.00 0.00 43.02 39.46 2tmd s PHE 163 CO 0.00 0.24 0.34 -0.25 -0.10 0.00 0.00 175.22 175.45 2tmd n ASP 164 N 0.47 0.20 -4.05 1.36 8.00 0.67 -4.65 116.55 118.54 2tmd n ASP 164 Ca 0.00 0.09 -0.24 0.00 0.71 0.00 0.00 54.79 55.36 2tmd n ASP 164 Cb 0.51 1.04 -0.16 0.00 -0.02 0.00 0.00 41.12 42.49 2tmd n ASP 164 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2tmd s ILE 165 N -2.83 1.11 -0.17 0.53 1.01 -0.62 -0.96 121.20 119.28 2tmd s ILE 165 Ca -0.08 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.07 2tmd s ILE 165 Cb 0.09 -0.99 0.03 0.00 0.01 0.00 0.00 42.46 41.59 2tmd s ILE 165 CO 0.85 0.34 -0.13 -0.69 0.00 0.00 0.00 174.94 175.31 2tmd s VAL 166 N 0.35 1.60 0.12 2.92 1.01 -0.19 -1.56 120.40 124.64 2tmd s VAL 166 Ca -0.08 -0.77 -0.14 0.00 0.00 0.00 0.00 61.98 60.99 2tmd s VAL 166 Cb -0.12 -1.56 -0.07 0.00 0.00 0.00 0.00 36.38 34.62 2tmd s VAL 166 CO 0.02 0.35 0.52 -0.31 0.00 0.00 0.00 175.10 175.68 2tmd s TYR 167 N 1.45 3.64 -0.26 5.22 1.51 -0.41 -1.14 117.35 127.37 2tmd s TYR 167 Ca 0.03 1.04 -0.07 0.00 -1.01 0.00 0.00 57.07 57.06 2tmd s TYR 167 Cb -0.14 -2.35 -0.02 0.00 -0.11 0.00 0.00 41.96 39.34 2tmd s TYR 167 CO -0.10 0.48 0.07 0.54 -1.11 0.00 0.00 175.55 175.44 2tmd s VAL 168 N -1.38 4.28 -0.45 0.71 0.11 -0.68 -1.91 120.40 121.08 2tmd s VAL 168 Ca 0.35 -0.24 -0.19 0.00 -2.93 0.00 0.00 61.98 58.97 2tmd s VAL 168 Cb -0.16 -3.03 0.03 0.00 -1.53 0.00 0.00 36.38 31.70 2tmd s VAL 168 CO 0.18 0.30 0.56 -0.47 -3.33 0.00 0.00 175.10 172.35 2tmd s TYR 169 N 1.60 3.10 -0.36 1.54 5.04 -1.09 -2.80 117.35 124.38 2tmd s TYR 169 Ca 0.06 -0.30 0.11 0.00 -2.44 0.00 0.00 57.07 54.49 2tmd s TYR 169 Cb -0.15 -3.23 0.45 0.00 0.35 0.00 0.00 41.96 39.37 2tmd s TYR 169 CO 0.04 -0.85 1.09 0.41 -1.34 0.00 0.00 175.55 174.89 2tmd n GLY 170 N 5.10 4.47 3.61 8.97 0.00 0.48 -4.49 105.19 123.33 2tmd n GLY 170 Ca -0.05 -2.18 -0.27 0.00 0.00 0.00 0.00 46.02 43.52 2tmd n GLY 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2tmd s ALA 171 N -3.48 3.14 -1.58 4.61 0.00 -1.11 -2.47 121.76 120.87 2tmd s ALA 171 Ca 0.41 -2.25 -0.04 0.00 0.00 0.00 0.00 51.96 50.08 2tmd s ALA 171 Cb 0.41 0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.62 2tmd s ALA 171 CO -0.07 -0.07 0.48 0.72 0.00 0.00 0.00 175.76 176.82 2tmd n HIS 172 N -0.94 -1.78 -3.85 0.00 8.25 -1.26 -2.78 115.22 112.85 2tmd n HIS 172 Ca -0.05 0.41 -0.29 0.00 -0.26 0.00 0.00 57.72 57.54 2tmd n HIS 172 Cb 0.66 -4.27 0.04 0.00 1.12 0.00 0.00 29.99 27.53 2tmd n HIS 172 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2tmd n SER 173 N -2.40 -4.77 -4.83 0.41 7.64 -1.26 -3.96 113.62 104.44 2tmd n SER 173 Ca -0.13 -0.75 -0.22 0.00 1.01 0.00 0.00 58.87 58.78 2tmd n SER 173 Cb 0.63 -4.08 0.10 0.00 -1.01 0.00 0.00 64.21 59.85 2tmd n SER 173 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2tmd s TYR 174 N -3.33 1.19 0.19 1.43 2.02 -1.12 -4.65 117.35 113.09 2tmd s TYR 174 Ca 0.60 -0.59 -0.21 0.00 -0.37 0.00 0.00 57.07 56.50 2tmd s TYR 174 Cb -0.30 -2.58 0.13 0.00 -0.40 0.00 0.00 41.96 38.81 2tmd s TYR 174 CO 0.81 -1.58 1.58 1.25 -1.57 0.00 0.00 175.55 176.05 2tmd h LEU 175 N -0.25 -1.20 -2.02 -1.29 5.85 -1.64 0.12 115.31 114.87 2tmd h LEU 175 Ca -0.31 0.23 0.08 0.00 0.84 0.00 0.00 57.88 58.73 2tmd h LEU 175 Cb 1.27 0.60 -0.01 0.00 0.37 0.00 0.00 40.66 42.89 2tmd h LEU 175 CO 0.38 -0.30 0.21 -0.65 -0.34 0.00 0.00 178.44 177.74 2tmd h PRO 176 N -0.15 0.00 0.00 5.25 0.11 -1.86 0.22 132.00 135.57 2tmd h PRO 176 Ca 0.24 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 66.16 2tmd h PRO 176 Cb 0.55 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.64 2tmd h PRO 176 CO -0.70 0.00 -1.06 1.25 -0.21 0.00 0.00 178.00 177.27 2tmd h LEU 177 N 0.00 0.00 -1.08 2.35 7.12 -1.05 -2.97 115.31 119.68 2tmd h LEU 177 Ca 0.13 0.00 -0.07 0.00 0.13 0.00 0.00 57.88 58.08 2tmd h LEU 177 Cb 0.55 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.66 2tmd h LEU 177 CO -0.00 0.81 -0.07 1.56 -0.13 0.00 0.00 178.44 180.60 2tmd h GLN 178 N 0.00 0.56 -0.41 1.25 4.20 0.09 0.16 115.11 120.96 2tmd h GLN 178 Ca -0.08 -0.15 -0.14 0.00 0.06 0.00 0.00 58.65 58.34 2tmd h GLN 178 Cb 1.69 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 29.39 2tmd h GLN 178 CO 0.09 0.64 -0.29 0.74 -0.67 0.00 0.00 178.83 179.34 2tmd h PHE 179 N 0.53 1.09 -0.10 2.96 -1.00 -1.41 -3.16 116.94 115.84 2tmd h PHE 179 Ca 0.10 -0.30 -0.11 0.00 2.81 0.00 0.00 57.97 60.47 2tmd h PHE 179 Cb 0.45 -0.24 -0.01 0.00 3.61 0.00 0.00 35.95 39.76 2tmd h PHE 179 CO 0.02 1.11 -0.44 1.25 -1.61 0.00 0.00 178.31 178.64 2tmd h LEU 180 N 0.76 0.26 -8.90 1.54 5.85 -1.21 -3.43 115.31 110.17 2tmd h LEU 180 Ca 0.08 -0.11 -0.64 0.00 0.84 0.00 0.00 57.88 58.05 2tmd h LEU 180 Cb 0.88 -0.07 -0.16 0.00 0.37 0.00 0.00 40.66 41.68 2tmd h LEU 180 CO 0.08 0.67 -0.31 0.21 -0.34 0.00 0.00 178.44 178.74 2tmd s ASN 181 N -6.88 6.19 0.45 1.25 3.84 0.51 -4.88 114.94 115.42 2tmd s ASN 181 Ca -0.04 0.14 0.29 0.00 0.21 0.00 0.00 52.86 53.45 2tmd s ASN 181 Cb 0.13 -2.19 1.59 0.00 -0.55 0.00 0.00 41.25 40.23 2tmd s ASN 181 CO 0.78 -0.18 1.89 1.55 -2.79 0.00 0.00 177.10 178.35 2tmd h PRO 182 N 8.27 0.00 -0.20 0.43 0.13 -1.83 -1.23 132.00 137.57 2tmd h PRO 182 Ca -0.32 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.80 2tmd h PRO 182 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2tmd h PRO 182 CO 0.63 0.00 0.07 -0.92 -0.23 0.00 0.00 178.00 177.55 2tmd h TYR 183 N 0.00 0.28 0.00 1.56 3.20 -1.90 -3.27 116.97 116.83 2tmd h TYR 183 Ca 0.00 -0.00 -0.37 0.00 3.14 0.00 0.00 58.73 61.50 2tmd h TYR 183 Cb 0.04 -0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.17 2tmd h TYR 183 CO 0.00 0.24 -2.27 0.66 -1.64 0.00 0.00 178.16 175.15 2tmd n TYR 184 N -4.44 0.00 -2.62 -3.82 4.01 -0.60 -4.95 117.16 104.73 2tmd n TYR 184 Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 2tmd n TYR 184 Cb 0.13 -0.83 -0.03 0.00 -0.31 0.00 0.00 39.34 38.30 2tmd n TYR 184 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2tmd s ASN 185 N -6.78 6.20 -0.06 7.72 3.84 -0.56 -4.23 114.94 121.06 2tmd s ASN 185 Ca -0.31 -0.50 0.18 0.00 0.21 0.00 0.00 52.86 52.44 2tmd s ASN 185 Cb 0.11 -2.53 0.61 0.00 -0.55 0.00 0.00 41.25 38.89 2tmd s ASN 185 CO 0.43 -1.71 1.52 0.29 -2.79 0.00 0.00 177.10 174.84 2tmd n LYS 186 N 8.90 3.21 -0.96 0.43 4.76 -1.26 -4.51 118.16 128.74 2tmd n LYS 186 Ca 0.02 -2.66 -0.30 0.00 -2.87 0.00 0.00 58.31 52.50 2tmd n LYS 186 Cb 0.48 -1.67 0.15 0.00 -1.84 0.00 0.00 35.03 32.15 2tmd n LYS 186 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2tmd s ARG 187 N -1.50 1.08 -0.03 1.97 0.52 -1.26 -4.98 118.95 114.75 2tmd s ARG 187 Ca 0.45 1.14 0.05 0.00 -0.52 0.00 0.00 55.73 56.84 2tmd s ARG 187 Cb 0.27 -1.76 0.07 0.00 0.52 0.00 0.00 34.95 34.05 2tmd s ARG 187 CO 0.25 -2.46 0.93 0.25 0.02 0.00 0.00 175.30 174.28 2tmd n THR 188 N -4.07 0.84 -2.16 0.02 -2.24 -1.26 -3.40 114.28 102.01 2tmd n THR 188 Ca 0.08 -0.94 0.00 0.00 -2.27 0.00 0.00 64.05 60.92 2tmd n THR 188 Cb 0.54 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 2tmd n THR 188 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2tmd n ASP 189 N -0.55 0.10 0.00 3.42 5.75 -1.26 -4.90 116.55 119.11 2tmd n ASP 189 Ca 0.04 -0.10 0.09 0.00 -0.01 0.00 0.00 54.79 54.80 2tmd n ASP 189 Cb 0.48 0.00 0.50 0.00 -1.03 0.00 0.00 41.12 41.07 2tmd n ASP 189 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 2tmd n LYS 190 N -0.10 0.50 -0.23 0.11 2.85 -1.26 -1.53 118.16 118.51 2tmd n LYS 190 Ca 0.00 0.02 0.06 0.00 -1.05 0.00 0.00 58.31 57.34 2tmd n LYS 190 Cb 0.00 -1.50 0.18 0.00 -0.65 0.00 0.00 35.03 33.06 2tmd n LYS 190 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2tmd n TYR 191 N -1.04 0.58 -4.10 5.58 4.01 -1.26 -4.44 117.16 116.50 2tmd n TYR 191 Ca 0.12 -0.54 -0.08 0.00 -0.16 0.00 0.00 57.90 57.24 2tmd n TYR 191 Cb 0.07 -0.06 -0.10 0.00 -0.31 0.00 0.00 39.34 38.94 2tmd n TYR 191 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2tmd s GLY 192 N -1.08 0.65 0.00 2.72 0.00 -0.58 -4.03 107.32 105.00 2tmd s GLY 192 Ca 0.28 -1.27 0.00 0.00 0.00 0.00 0.00 44.72 43.73 2tmd s GLY 192 CO 0.17 -1.29 0.00 0.61 0.00 0.00 0.00 173.10 172.58 2tmd n GLY 193 N 0.01 1.11 3.88 0.20 0.00 -1.22 -4.44 105.19 104.72 2tmd n GLY 193 Ca -0.10 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 2tmd n GLY 193 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2tmd s SER 194 N -4.00 5.70 0.21 1.61 1.04 -1.26 -4.80 113.70 112.20 2tmd s SER 194 Ca 0.00 1.25 -0.09 0.00 0.48 0.00 0.00 55.95 57.59 2tmd s SER 194 Cb 0.00 -2.14 0.22 0.00 0.10 0.00 0.00 66.02 64.20 2tmd s SER 194 CO 0.00 -1.19 1.84 0.25 0.98 0.00 0.00 173.24 175.12 2tmd h LEU 195 N -0.55 0.70 -0.83 2.42 5.85 -1.96 0.20 115.31 121.14 2tmd h LEU 195 Ca -0.45 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.34 2tmd h LEU 195 Cb 1.23 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 42.06 2tmd h LEU 195 CO 0.63 0.48 0.51 -0.08 -0.34 0.00 0.00 178.44 179.63 2tmd h GLU 196 N 0.84 0.91 -0.10 1.25 4.81 -1.96 0.78 114.58 121.11 2tmd h GLU 196 Ca 0.30 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 59.34 2tmd h GLU 196 Cb 0.07 -0.20 0.01 0.00 0.63 0.00 0.00 28.75 29.26 2tmd h GLU 196 CO -0.13 0.60 -0.47 -0.91 -0.73 0.00 0.00 179.01 177.37 2tmd h ASN 197 N 0.93 0.59 0.50 1.04 2.35 -1.52 -2.77 115.58 116.70 2tmd h ASN 197 Ca 0.36 -0.64 -0.06 0.00 -0.55 0.00 0.00 56.30 55.41 2tmd h ASN 197 Cb 0.16 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 2tmd h ASN 197 CO -0.17 1.13 -0.30 0.03 -1.65 0.00 0.00 177.43 176.48 2tmd h ARG 198 N 0.08 0.00 0.00 0.81 3.08 0.07 -2.46 114.38 115.96 2tmd h ARG 198 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2tmd h ARG 198 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.17 2tmd h ARG 198 CO 0.10 0.30 -0.00 0.00 -1.07 0.00 0.00 179.97 179.29 2tmd h ALA 199 N 1.70 1.00 -0.19 0.04 0.00 0.56 -3.22 119.26 119.16 2tmd h ALA 199 Ca -0.00 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.93 2tmd h ALA 199 Cb 0.62 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2tmd h ALA 199 CO 0.04 0.00 0.05 -0.09 0.00 0.00 0.00 179.25 179.25 2tmd h ARG 200 N 0.00 0.13 -0.78 0.00 2.43 -1.14 -1.78 114.38 113.25 2tmd h ARG 200 Ca 0.00 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.22 2tmd h ARG 200 Cb 0.82 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.28 2tmd h ARG 200 CO 0.00 0.09 0.46 0.35 -1.51 0.00 0.00 179.97 179.36 2tmd h PHE 201 N 0.14 0.86 -0.13 2.20 3.04 -1.76 -0.31 116.94 120.98 2tmd h PHE 201 Ca 0.08 0.03 -0.06 0.00 3.98 0.00 0.00 57.97 62.00 2tmd h PHE 201 Cb 0.06 -0.27 -0.00 0.00 2.56 0.00 0.00 35.95 38.30 2tmd h PHE 201 CO -0.13 0.43 -0.14 2.35 -2.02 0.00 0.00 178.31 178.80 2tmd h TRP 202 N 0.85 0.39 -0.53 0.41 2.91 -1.77 -1.60 115.95 116.61 2tmd h TRP 202 Ca 0.34 -0.12 0.05 0.00 1.13 0.00 0.00 58.89 60.30 2tmd h TRP 202 Cb 0.18 -0.08 -0.05 0.00 -0.51 0.00 0.00 29.16 28.70 2tmd h TRP 202 CO -0.05 0.73 0.25 -0.07 -1.03 0.00 0.00 178.44 178.27 2tmd h LEU 203 N -0.06 0.35 -0.54 0.65 4.07 -1.07 0.53 115.31 119.24 2tmd h LEU 203 Ca 0.02 0.04 -0.11 0.00 0.08 0.00 0.00 57.88 57.91 2tmd h LEU 203 Cb 0.67 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 42.36 2tmd h LEU 203 CO 0.03 0.24 -0.08 -0.33 -1.08 0.00 0.00 178.44 177.22 2tmd h GLU 204 N 0.49 1.00 -0.61 1.13 5.08 -0.97 -2.37 114.58 118.33 2tmd h GLU 204 Ca 0.24 -0.36 -0.05 0.00 -1.00 0.00 0.00 59.36 58.19 2tmd h GLU 204 Cb 0.18 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 2tmd h GLU 204 CO -0.18 1.04 0.19 1.15 -1.00 0.00 0.00 179.01 180.20 2tmd h THR 205 N 0.88 1.25 0.01 1.13 2.02 -0.59 -2.03 112.91 115.56 2tmd h THR 205 Ca 0.14 -0.84 0.01 0.00 0.77 0.00 0.00 66.41 66.49 2tmd h THR 205 Cb 0.64 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 2tmd h THR 205 CO 0.04 0.32 -0.09 -0.07 0.37 0.00 0.00 175.52 176.09 2tmd h LEU 206 N 0.88 -0.26 -0.74 2.58 3.38 -0.71 0.37 115.31 120.81 2tmd h LEU 206 Ca 0.20 0.04 -0.09 0.00 0.09 0.00 0.00 57.88 58.11 2tmd h LEU 206 Cb 0.30 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2tmd h LEU 206 CO -0.01 -0.13 -0.45 1.05 0.09 0.00 0.00 178.44 178.99 2tmd h GLU 207 N -0.16 0.00 -0.33 1.13 4.11 -1.37 0.12 114.58 118.08 2tmd h GLU 207 Ca 0.03 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.32 2tmd h GLU 207 Cb 0.20 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 2tmd h GLU 207 CO -0.09 0.45 -0.34 0.87 0.07 0.00 0.00 179.01 179.98 2tmd h LYS 208 N 0.00 0.81 -0.32 1.06 1.57 -0.97 0.16 116.57 118.88 2tmd h LYS 208 Ca -0.00 -0.43 -0.10 0.00 -1.87 0.00 0.00 60.65 58.24 2tmd h LYS 208 Cb 1.03 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 2tmd h LYS 208 CO 0.06 1.07 -0.21 0.28 -0.57 0.00 0.00 179.45 180.07 2tmd h VAL 209 N 0.59 1.29 -0.97 0.50 2.07 -0.71 -1.62 116.25 117.40 2tmd h VAL 209 Ca 0.05 -1.35 0.08 0.00 0.82 0.00 0.00 66.70 66.30 2tmd h VAL 209 Cb 0.92 1.47 -0.07 0.00 -1.52 0.00 0.00 31.29 32.09 2tmd h VAL 209 CO 0.08 0.44 0.62 0.50 0.02 0.00 0.00 177.57 179.23 2tmd h LYS 210 N 0.46 1.06 -0.61 1.57 3.64 -0.70 -0.87 116.57 121.13 2tmd h LYS 210 Ca 0.06 -0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 2tmd h LYS 210 Cb 0.76 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 2tmd h LYS 210 CO 0.06 0.70 0.01 1.25 -2.27 0.00 0.00 179.45 179.20 2tmd h HIS 211 N 1.10 1.16 -0.24 1.91 2.76 -0.43 0.28 115.15 121.69 2tmd h HIS 211 Ca 0.43 -0.20 -0.14 0.00 -2.20 0.00 0.00 60.37 58.26 2tmd h HIS 211 Cb 0.23 -0.30 -0.00 0.00 1.55 0.00 0.00 27.41 28.89 2tmd h HIS 211 CO -0.01 1.02 -0.41 0.00 -1.30 0.00 0.00 177.93 177.23 2tmd h ALA 212 N 1.02 0.37 0.00 5.26 0.00 -0.27 -3.40 119.26 122.24 2tmd h ALA 212 Ca 0.17 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2tmd h ALA 212 Cb 0.55 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2tmd h ALA 212 CO 0.03 0.48 0.00 1.33 0.00 0.00 0.00 179.25 181.09 2tmd n VAL 213 N -4.19 0.08 0.32 0.00 0.24 -0.44 -4.86 118.33 109.48 2tmd n VAL 213 Ca -0.05 -0.18 0.20 0.00 -2.04 0.00 0.00 64.34 62.27 2tmd n VAL 213 Cb 0.54 1.46 1.11 0.00 -1.47 0.00 0.00 33.84 35.49 2tmd n VAL 213 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2tmd h GLY 214 N 0.00 0.00 1.49 7.63 0.00 -0.55 -0.12 103.07 111.52 2tmd h GLY 214 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.12 2tmd h GLY 214 CO 0.00 0.00 -0.84 1.76 0.00 0.00 0.00 176.54 177.46 2tmd h SER 215 N 0.00 0.59 0.00 0.19 0.02 -1.89 -3.32 113.55 109.14 2tmd h SER 215 Ca 0.00 -0.43 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 2tmd h SER 215 Cb 0.09 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.45 2tmd h SER 215 CO -0.00 1.21 -1.73 0.47 -1.14 0.00 0.00 176.83 175.64 2tmd n ASP 216 N -3.81 0.39 -4.09 3.07 8.00 -0.21 -4.91 116.55 114.98 2tmd n ASP 216 Ca -0.06 -0.22 -0.20 0.00 0.71 0.00 0.00 54.79 55.02 2tmd n ASP 216 Cb 0.78 1.74 -0.14 0.00 -0.02 0.00 0.00 41.12 43.48 2tmd n ASP 216 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2tmd s ALA 218 N -0.55 3.37 -0.35 0.00 0.00 -0.13 -4.46 121.76 119.64 2tmd s ALA 218 Ca 0.02 0.82 -0.11 0.00 0.00 0.00 0.00 51.96 52.69 2tmd s ALA 218 Cb -0.06 -3.34 0.01 0.00 0.00 0.00 0.00 23.12 19.74 2tmd s ALA 218 CO 0.00 -0.17 0.19 0.42 0.00 0.00 0.00 175.76 176.20 2tmd s ILE 219 N -0.49 4.62 0.27 0.00 -1.09 -1.26 -1.02 121.20 122.22 2tmd s ILE 219 Ca 0.48 -0.68 0.09 0.00 -2.23 0.00 0.00 60.65 58.31 2tmd s ILE 219 Cb -0.30 -3.49 -0.04 0.00 -1.58 0.00 0.00 42.46 37.05 2tmd s ILE 219 CO 0.36 -0.12 0.06 0.00 -1.23 0.00 0.00 174.94 174.01 2tmd s ALA 220 N 1.58 3.30 0.01 9.38 0.00 -0.29 -0.17 121.76 135.58 2tmd s ALA 220 Ca 0.03 -1.60 0.02 0.00 0.00 0.00 0.00 51.96 50.41 2tmd s ALA 220 Cb -0.18 -0.92 -0.01 0.00 0.00 0.00 0.00 23.12 22.01 2tmd s ALA 220 CO 0.07 0.25 -0.08 -0.08 0.00 0.00 0.00 175.76 175.91 2tmd s THR 221 N -2.28 0.59 -0.28 0.00 -1.32 -1.13 -1.69 115.64 109.53 2tmd s THR 221 Ca 0.32 -0.56 -0.07 0.00 -1.21 0.00 0.00 61.69 60.17 2tmd s THR 221 Cb -0.07 -0.54 -0.01 0.00 -1.51 0.00 0.00 72.50 70.38 2tmd s THR 221 CO 0.21 -0.00 0.08 -0.60 -2.21 0.00 0.00 174.62 172.11 2tmd s ARG 222 N -0.62 3.32 -0.10 7.08 6.06 -1.12 -1.44 118.95 132.12 2tmd s ARG 222 Ca -0.01 -0.71 0.02 0.00 -2.50 0.00 0.00 55.73 52.54 2tmd s ARG 222 Cb -0.05 -3.38 0.01 0.00 0.06 0.00 0.00 34.95 31.60 2tmd s ARG 222 CO 0.00 -0.35 -0.17 0.12 -2.50 0.00 0.00 175.30 172.40 2tmd s PHE 223 N 1.55 2.06 -0.98 5.12 5.36 0.06 -0.39 117.98 130.78 2tmd s PHE 223 Ca 0.04 -0.93 -0.21 0.00 -0.96 0.00 0.00 56.93 54.87 2tmd s PHE 223 Cb -0.16 -1.46 0.09 0.00 -0.34 0.00 0.00 43.02 41.15 2tmd s PHE 223 CO 0.03 -0.45 1.28 0.20 -1.46 0.00 0.00 175.22 174.82 2tmd s GLY 224 N 0.82 1.63 0.37 13.12 0.00 -1.03 -1.20 107.32 121.03 2tmd s GLY 224 Ca -0.10 -2.55 0.28 0.00 0.00 0.00 0.00 44.72 42.35 2tmd s GLY 224 CO 0.01 2.32 1.82 -0.24 0.00 0.00 0.00 173.10 177.01 2tmd h VAL 225 N 6.25 0.00 -2.43 1.40 3.04 -1.67 -3.41 116.25 119.43 2tmd h VAL 225 Ca 0.18 -0.27 -0.07 0.00 -1.01 0.00 0.00 66.70 65.53 2tmd h VAL 225 Cb 1.01 1.06 -0.24 0.00 -2.01 0.00 0.00 31.29 31.11 2tmd h VAL 225 CO 1.26 0.00 -0.18 -0.62 -1.01 0.00 0.00 177.57 177.02 2tmd s ASP 226 N -4.68 -0.65 0.00 3.17 -1.08 -1.26 -3.07 116.67 109.10 2tmd s ASP 226 Ca 0.02 1.10 0.30 0.00 -0.52 0.00 0.00 52.55 53.45 2tmd s ASP 226 Cb 0.09 0.99 1.39 0.00 -1.46 0.00 0.00 42.92 43.94 2tmd s ASP 226 CO 0.41 -0.21 1.94 0.41 0.52 0.00 0.00 175.17 178.25 2tmd n THR 227 N 4.13 0.00 -4.25 1.71 -1.04 -0.33 -0.54 114.28 113.96 2tmd n THR 227 Ca -0.21 -0.12 -0.36 0.00 -2.04 0.00 0.00 64.05 61.32 2tmd n THR 227 Cb 0.56 0.03 -0.04 0.00 -1.82 0.00 0.00 70.33 69.06 2tmd n THR 227 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 2tmd n VAL 228 N -0.46 -1.11 0.36 12.58 0.24 -1.26 -4.10 118.33 124.57 2tmd n VAL 228 Ca 0.20 -0.10 0.04 0.00 -2.04 0.00 0.00 64.34 62.44 2tmd n VAL 228 Cb 0.25 -1.56 -0.01 0.00 -1.47 0.00 0.00 33.84 31.05 2tmd n VAL 228 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2tmd n TYR 229 N -4.35 0.00 -1.53 6.34 4.02 -1.26 -5.04 117.16 115.34 2tmd n TYR 229 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 2tmd n TYR 229 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.84 2tmd n TYR 229 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2tmd n GLY 230 N 0.87 -1.98 3.69 2.72 0.00 -1.26 -4.89 105.19 104.34 2tmd n GLY 230 Ca 0.03 -1.81 -0.44 0.00 0.00 0.00 0.00 46.02 43.80 2tmd n GLY 230 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2tmd n PRO 231 N -0.03 2.25 0.00 1.61 -0.04 -1.26 -3.19 135.00 134.34 2tmd n PRO 231 Ca 0.00 0.81 0.00 0.00 -0.04 0.00 0.00 63.50 64.27 2tmd n PRO 231 Cb 0.00 -2.53 0.00 0.00 -0.04 0.00 0.00 33.50 30.93 2tmd n PRO 231 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2tmd n GLY 232 N 2.53 1.27 0.00 0.55 0.00 -1.26 -5.06 105.19 103.21 2tmd n GLY 232 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2tmd n GLY 232 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2tmd n GLN 233 N 0.00 2.35 -2.73 1.61 6.02 -1.19 -4.06 117.38 119.37 2tmd n GLN 233 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.56 2tmd n GLN 233 Cb 0.00 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.23 2tmd n GLN 233 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2tmd s ILE 234 N 1.37 4.73 -0.09 5.09 -1.09 -1.26 -4.95 121.20 125.00 2tmd s ILE 234 Ca 0.00 1.89 -0.02 0.00 -2.23 0.00 0.00 60.65 60.30 2tmd s ILE 234 Cb 0.00 -4.25 -0.03 0.00 -1.58 0.00 0.00 42.46 36.60 2tmd s ILE 234 CO 0.00 -0.14 -0.01 -1.61 -1.23 0.00 0.00 174.94 171.95 2tmd s GLU 235 N 3.01 3.04 0.27 2.79 2.02 -1.26 -1.18 118.70 127.39 2tmd s GLU 235 Ca 0.42 -0.44 -0.02 0.00 0.02 0.00 0.00 54.97 54.94 2tmd s GLU 235 Cb -0.15 -2.78 0.37 0.00 0.10 0.00 0.00 34.13 31.67 2tmd s GLU 235 CO 0.07 0.64 1.82 0.00 0.02 0.00 0.00 175.26 177.81 2tmd h ALA 236 N 5.38 1.20 -0.46 5.21 0.00 -1.94 -1.21 119.26 127.44 2tmd h ALA 236 Ca -0.48 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.23 2tmd h ALA 236 Cb 1.19 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2tmd h ALA 236 CO 0.55 0.56 0.00 0.39 0.00 0.00 0.00 179.25 180.75 2tmd n GLU 237 N -4.28 2.27 0.00 0.00 1.02 -1.26 -0.05 120.64 118.34 2tmd n GLU 237 Ca 0.04 -1.95 0.00 0.00 -0.02 0.00 0.00 57.16 55.23 2tmd n GLU 237 Cb 0.22 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 2tmd n GLU 237 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2tmd n VAL 238 N 1.11 0.00 0.05 2.62 0.31 -0.90 -4.90 118.33 116.62 2tmd n VAL 238 Ca 0.19 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.39 2tmd n VAL 238 Cb 0.49 -0.16 -0.02 0.00 -0.91 0.00 0.00 33.84 33.23 2tmd n VAL 238 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 2tmd h ASP 239 N 0.00 0.56 -0.06 4.52 3.32 -1.70 -3.27 116.42 119.78 2tmd h ASP 239 Ca 0.00 -0.41 0.04 0.00 0.02 0.00 0.00 57.03 56.68 2tmd h ASP 239 Cb 0.00 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 39.32 2tmd h ASP 239 CO 0.00 1.19 -0.39 1.23 -1.72 0.00 0.00 179.24 179.55 2tmd h GLY 240 N 1.18 -0.65 1.20 2.75 0.00 -1.22 0.93 103.07 107.26 2tmd h GLY 240 Ca -0.06 0.47 -0.17 0.00 0.00 0.00 0.00 47.33 47.58 2tmd h GLY 240 CO 0.15 -0.23 -0.46 1.46 0.00 0.00 0.00 176.54 177.46 2tmd h GLN 241 N -0.50 0.86 -0.45 4.80 4.20 -0.60 -2.67 115.11 120.74 2tmd h GLN 241 Ca 0.07 -0.49 -0.05 0.00 0.06 0.00 0.00 58.65 58.24 2tmd h GLN 241 Cb 0.61 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.41 2tmd h GLN 241 CO -0.34 1.13 0.08 0.87 -0.67 0.00 0.00 178.83 179.89 2tmd h LYS 242 N 0.68 0.70 -0.52 1.46 1.57 -1.56 -2.02 116.57 116.88 2tmd h LYS 242 Ca 0.04 -0.14 -0.07 0.00 -1.87 0.00 0.00 60.65 58.61 2tmd h LYS 242 Cb 1.05 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.23 2tmd h LYS 242 CO 0.10 0.66 0.07 0.35 -0.57 0.00 0.00 179.45 180.06 2tmd h PHE 243 N 0.67 0.93 -0.93 -1.35 3.57 -0.68 -1.75 116.94 117.41 2tmd h PHE 243 Ca 0.15 -0.14 0.04 0.00 3.53 0.00 0.00 57.97 61.55 2tmd h PHE 243 Cb 0.30 -0.25 -0.05 0.00 2.79 0.00 0.00 35.95 38.73 2tmd h PHE 243 CO 0.01 0.85 0.60 0.28 -2.23 0.00 0.00 178.31 177.82 2tmd h VAL 244 N 0.75 1.16 -0.34 1.41 2.07 -1.10 -1.20 116.25 119.00 2tmd h VAL 244 Ca 0.16 -0.40 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 2tmd h VAL 244 Cb 0.43 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 2tmd h VAL 244 CO 0.01 0.21 0.21 -0.33 0.02 0.00 0.00 177.57 177.69 2tmd h GLU 245 N 1.17 0.46 -0.80 1.57 5.08 -1.03 0.23 114.58 121.26 2tmd h GLU 245 Ca 0.37 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.71 2tmd h GLU 245 Cb 0.00 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.11 2tmd h GLU 245 CO -0.12 0.34 0.52 0.52 -1.00 0.00 0.00 179.01 179.27 2tmd h MET 246 N 0.44 1.00 -0.01 2.33 2.86 -0.91 -3.19 114.93 117.45 2tmd h MET 246 Ca 0.12 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 2tmd h MET 246 Cb -0.00 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 31.43 2tmd h MET 246 CO -0.02 0.66 -0.67 0.00 1.06 0.00 0.00 176.91 177.93 2tmd n ALA 247 N -2.33 4.00 -0.30 6.32 0.00 -0.49 -4.56 120.51 123.16 2tmd n ALA 247 Ca 0.09 -0.57 0.09 0.00 0.00 0.00 0.00 53.44 53.06 2tmd n ALA 247 Cb 0.06 -0.86 0.32 0.00 0.00 0.00 0.00 19.45 18.97 2tmd n ALA 247 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2tmd h ASP 248 N 1.02 0.77 1.27 0.00 3.58 -0.94 -0.91 116.42 121.20 2tmd h ASP 248 Ca 0.00 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.49 2tmd h ASP 248 Cb 0.59 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.53 2tmd h ASP 248 CO 0.00 0.41 0.00 0.77 -2.88 0.00 0.00 179.24 177.54 2tmd h SER 249 N 0.83 0.00 0.44 2.28 4.64 -1.82 -3.13 113.55 116.80 2tmd h SER 249 Ca 0.45 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.48 2tmd h SER 249 Cb 0.56 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.60 2tmd h SER 249 CO -0.21 0.00 -1.78 0.18 -0.87 0.00 0.00 176.83 174.15 2tmd n LEU 250 N -2.73 0.76 -4.81 5.97 4.77 -0.37 -4.92 117.00 115.66 2tmd n LEU 250 Ca 0.03 0.36 -0.38 0.00 -0.03 0.00 0.00 56.01 55.99 2tmd n LEU 250 Cb 0.36 0.21 -0.06 0.00 -2.33 0.00 0.00 43.42 41.60 2tmd n LEU 250 CO 0.28 0.38 0.08 0.68 -1.33 0.00 0.00 177.39 177.48 2tmd s VAL 251 N -2.61 5.11 -0.47 4.08 -7.23 -1.09 -4.90 120.40 113.30 2tmd s VAL 251 Ca -0.05 0.78 0.24 0.00 -1.81 0.00 0.00 61.98 61.13 2tmd s VAL 251 Cb 0.08 -3.70 0.22 0.00 0.56 0.00 0.00 36.38 33.54 2tmd s VAL 251 CO 0.83 0.52 1.48 0.44 -0.31 0.00 0.00 175.10 178.05 2tmd h ASP 252 N 5.24 0.00 -3.20 4.85 3.32 -0.85 -3.48 116.42 122.30 2tmd h ASP 252 Ca -0.49 -0.02 0.05 0.00 0.02 0.00 0.00 57.03 56.58 2tmd h ASP 252 Cb 1.21 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.51 2tmd h ASP 252 CO 0.65 0.01 0.35 -0.32 -1.72 0.00 0.00 179.24 178.21 2tmd s MET 253 N -3.22 0.56 -0.18 3.56 1.75 -1.23 -4.28 119.30 116.26 2tmd s MET 253 Ca 0.06 0.74 -0.10 0.00 -1.25 0.00 0.00 55.69 55.13 2tmd s MET 253 Cb 0.08 0.23 -0.05 0.00 2.84 0.00 0.00 34.83 37.94 2tmd s MET 253 CO 0.69 -0.08 0.16 -1.58 -0.65 0.00 0.00 175.02 173.56 2tmd s TRP 254 N 0.58 3.45 -0.25 4.11 0.52 -0.01 -2.82 118.94 124.51 2tmd s TRP 254 Ca -0.01 0.40 0.02 0.00 0.02 0.00 0.00 56.10 56.54 2tmd s TRP 254 Cb -0.05 -2.15 0.05 0.00 -1.15 0.00 0.00 33.47 30.17 2tmd s TRP 254 CO -0.08 0.35 -0.11 0.34 0.02 0.00 0.00 176.95 177.47 2tmd s ASP 255 N 0.15 4.28 -0.06 2.95 -1.08 -0.52 -1.25 116.67 121.14 2tmd s ASP 255 Ca 0.10 -1.26 -0.01 0.00 -0.52 0.00 0.00 52.55 50.86 2tmd s ASP 255 Cb -0.11 -1.55 -0.03 0.00 -1.46 0.00 0.00 42.92 39.76 2tmd s ASP 255 CO -0.00 -0.16 0.00 -0.63 0.52 0.00 0.00 175.17 174.89 2tmd s ILE 256 N 1.15 4.26 0.28 4.11 -1.09 -0.52 -0.76 121.20 128.63 2tmd s ILE 256 Ca -0.06 -0.35 0.03 0.00 -2.23 0.00 0.00 60.65 58.04 2tmd s ILE 256 Cb -0.19 -2.82 -0.04 0.00 -1.58 0.00 0.00 42.46 37.83 2tmd s ILE 256 CO -0.06 0.54 0.17 0.42 -1.23 0.00 0.00 174.94 174.78 2tmd s THR 257 N -0.94 0.19 0.09 2.92 -4.23 -0.34 -4.04 115.64 109.30 2tmd s THR 257 Ca 0.15 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.71 2tmd s THR 257 Cb -0.11 -2.51 -0.03 0.00 1.34 0.00 0.00 72.50 71.18 2tmd s THR 257 CO 0.05 0.00 -0.13 0.27 -0.54 0.00 0.00 174.62 174.27 2tmd s ILE 258 N -3.73 1.10 0.00 2.99 -4.36 -1.26 -1.63 121.20 114.30 2tmd s ILE 258 Ca 0.38 -1.49 0.00 0.00 -0.26 0.00 0.00 60.65 59.28 2tmd s ILE 258 Cb 0.05 -1.24 0.00 0.00 1.25 0.00 0.00 42.46 42.52 2tmd s ILE 258 CO 0.18 -0.37 0.00 0.61 0.24 0.00 0.00 174.94 175.60 2tmd n GLY 259 N 0.91 -2.15 0.00 6.27 0.00 0.30 -3.53 105.19 106.99 2tmd n GLY 259 Ca -0.18 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 43.66 2tmd n GLY 259 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2tmd n ASP 260 N 0.00 0.00 -0.09 1.61 5.75 -1.26 -4.42 116.55 118.15 2tmd n ASP 260 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 54.79 54.67 2tmd n ASP 260 Cb 0.00 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.00 2tmd n ASP 260 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2tmd n ILE 261 N 0.00 1.03 0.19 2.12 0.13 -1.25 -3.77 119.36 117.81 2tmd n ILE 261 Ca 0.00 -0.45 0.05 0.00 -1.10 0.00 0.00 62.75 61.25 2tmd n ILE 261 Cb 0.00 -1.02 0.49 0.00 -0.84 0.00 0.00 39.64 38.27 2tmd n ILE 261 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2tmd h ALA 262 N 0.16 1.69 -1.40 1.51 0.00 -1.92 -3.04 119.26 116.27 2tmd h ALA 262 Ca -0.40 -0.15 -0.50 0.00 0.00 0.00 0.00 54.91 53.86 2tmd h ALA 262 Cb 1.69 -0.04 -0.41 0.00 0.00 0.00 0.00 17.79 19.02 2tmd h ALA 262 CO -0.04 0.23 -0.91 0.39 0.00 0.00 0.00 179.25 178.92 2tmd n GLU 263 N -4.35 2.51 0.00 0.00 1.02 -1.26 -4.88 120.64 113.69 2tmd n GLU 263 Ca -0.02 -4.04 0.01 0.00 -0.02 0.00 0.00 57.16 53.09 2tmd n GLU 263 Cb 0.22 -1.87 0.05 0.00 -0.02 0.00 0.00 31.44 29.82 2tmd n GLU 263 CO 0.00 0.00 0.00 -2.67 1.18 0.00 0.00 177.13 175.64 2tmd n TRP 264 N -0.29 0.00 0.32 -0.32 4.27 -1.15 -1.97 117.44 118.30 2tmd n TRP 264 Ca 0.27 0.00 0.07 0.00 -3.89 0.00 0.00 57.50 53.96 2tmd n TRP 264 Cb 0.70 0.00 0.33 0.00 -1.36 0.00 0.00 31.31 30.98 2tmd n TRP 264 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 2tmd n GLY 265 N 0.41 -0.95 0.10 -1.67 0.00 -1.26 -1.45 105.19 100.36 2tmd n GLY 265 Ca 0.01 0.03 -0.03 0.00 0.00 0.00 0.00 46.02 46.03 2tmd n GLY 265 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2tmd h GLU 266 N 0.00 0.00 0.00 1.61 4.39 -1.71 -2.85 114.58 116.02 2tmd h GLU 266 Ca 0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 2tmd h GLU 266 Cb 0.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 2tmd h GLU 266 CO 0.00 0.79 -0.00 0.22 -1.16 0.00 0.00 179.01 178.85 2tmd h ASP 267 N 0.00 -0.01 -0.04 1.42 3.58 -1.29 -3.39 116.42 116.69 2tmd h ASP 267 Ca -0.01 0.00 -0.68 0.00 0.42 0.00 0.00 57.03 56.77 2tmd h ASP 267 Cb 1.49 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.54 2tmd h ASP 267 CO 0.10 0.02 2.72 0.00 -2.88 0.00 0.00 179.24 179.19 2tmd n ALA 268 N -2.03 4.48 -1.69 -0.78 0.00 -0.54 -4.93 120.51 115.01 2tmd n ALA 268 Ca -0.00 -3.63 -0.42 0.00 0.00 0.00 0.00 53.44 49.39 2tmd n ALA 268 Cb 0.00 -3.58 -0.03 0.00 0.00 0.00 0.00 19.45 15.84 2tmd n ALA 268 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2tmd s GLY 269 N 4.05 1.34 0.48 0.00 0.00 -1.08 -4.59 107.32 107.52 2tmd s GLY 269 Ca 0.52 1.22 -0.23 0.00 0.00 0.00 0.00 44.72 46.23 2tmd s GLY 269 CO 0.01 3.48 1.28 -4.14 0.00 0.00 0.00 173.10 173.72 2tmd s PRO 270 N 4.66 3.55 0.61 2.90 0.02 -1.26 -4.70 135.00 140.78 2tmd s PRO 270 Ca 0.89 2.07 0.38 0.00 0.02 0.00 0.00 61.00 64.35 2tmd s PRO 270 Cb -0.41 -2.43 1.91 0.00 0.02 0.00 0.00 34.50 33.60 2tmd s PRO 270 CO 0.40 -0.81 2.19 0.66 -0.33 0.00 0.00 177.00 179.11 2tmd h SER 271 N 1.95 0.00 -0.86 2.53 4.64 -1.38 0.16 113.55 120.59 2tmd h SER 271 Ca -0.50 0.00 0.16 0.00 -0.47 0.00 0.00 61.79 60.98 2tmd h SER 271 Cb 1.27 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.29 2tmd h SER 271 CO 0.59 0.02 0.56 -0.09 -0.87 0.00 0.00 176.83 177.05 2tmd h ARG 272 N 0.00 0.55 0.00 4.77 2.43 -1.78 -3.31 114.38 117.04 2tmd h ARG 272 Ca -0.00 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.05 2tmd h ARG 272 Cb 0.23 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 2tmd h ARG 272 CO 0.00 0.36 -1.34 1.19 -1.51 0.00 0.00 179.97 178.68 2tmd n PHE 273 N -4.54 0.00 -4.75 2.20 3.72 -0.35 -4.71 117.46 109.03 2tmd n PHE 273 Ca 0.17 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.33 2tmd n PHE 273 Cb 0.54 -0.24 -0.15 0.00 -0.94 0.00 0.00 39.48 38.68 2tmd n PHE 273 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 2tmd s TYR 274 N -2.12 1.46 0.45 1.38 2.02 0.41 -5.03 117.35 115.91 2tmd s TYR 274 Ca -0.03 -0.30 0.01 0.00 -0.37 0.00 0.00 57.07 56.37 2tmd s TYR 274 Cb 0.02 -0.95 -0.00 0.00 -0.40 0.00 0.00 41.96 40.63 2tmd s TYR 274 CO 0.19 -0.05 0.67 -0.65 -1.57 0.00 0.00 175.55 174.14 2tmd s GLN 275 N -0.29 3.04 0.30 -0.62 -0.21 -1.26 -4.01 119.66 116.61 2tmd s GLN 275 Ca 0.04 -0.52 -0.28 0.00 0.02 0.00 0.00 55.36 54.62 2tmd s GLN 275 Cb -0.07 -2.56 -0.14 0.00 1.00 0.00 0.00 33.01 31.24 2tmd s GLN 275 CO -0.00 -0.28 1.10 0.94 -2.12 0.00 0.00 175.29 174.93 2tmd n GLN 276 N -2.08 1.56 -1.11 2.91 7.27 -1.26 -1.78 117.38 122.89 2tmd n GLN 276 Ca 0.02 0.55 -0.04 0.00 0.07 0.00 0.00 57.00 57.60 2tmd n GLN 276 Cb 0.58 -1.99 -0.02 0.00 2.41 0.00 0.00 30.24 31.22 2tmd n GLN 276 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2tmd n GLY 277 N 1.18 0.67 0.30 1.69 0.00 0.16 -4.92 105.19 104.27 2tmd n GLY 277 Ca 0.09 -0.48 0.20 0.00 0.00 0.00 0.00 46.02 45.83 2tmd n GLY 277 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 2tmd h HIS 278 N 0.00 0.00 -0.01 1.61 2.07 -1.52 -2.55 115.15 114.75 2tmd h HIS 278 Ca -0.08 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.44 2tmd h HIS 278 Cb 0.37 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.35 2tmd h HIS 278 CO 0.18 0.00 -0.60 0.25 -3.07 0.00 0.00 177.93 174.69 2tmd n THR 279 N -2.96 0.00 -0.34 6.12 -2.24 -1.26 -4.56 114.28 109.03 2tmd n THR 279 Ca -0.02 -0.09 0.08 0.00 -2.27 0.00 0.00 64.05 61.75 2tmd n THR 279 Cb 0.12 0.76 0.27 0.00 -2.10 0.00 0.00 70.33 69.38 2tmd n THR 279 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2tmd h ILE 280 N 0.85 0.90 -0.14 2.28 2.04 -1.80 -1.59 117.51 120.05 2tmd h ILE 280 Ca 0.00 -0.32 0.04 0.00 1.00 0.00 0.00 64.86 65.58 2tmd h ILE 280 Cb 0.56 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 2tmd h ILE 280 CO 0.00 0.17 0.10 -0.65 0.00 0.00 0.00 178.15 177.77 2tmd h PRO 281 N 0.93 0.00 0.08 2.37 0.11 -1.85 -1.75 132.00 131.89 2tmd h PRO 281 Ca 0.49 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 66.27 2tmd h PRO 281 Cb 0.54 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.63 2tmd h PRO 281 CO -0.25 0.00 -1.81 0.91 -0.21 0.00 0.00 178.00 176.64 2tmd n TRP 282 N -4.49 1.14 -0.24 0.65 8.01 -0.65 -4.21 117.44 117.65 2tmd n TRP 282 Ca 0.00 0.31 -0.05 0.00 -1.31 0.00 0.00 57.50 56.45 2tmd n TRP 282 Cb 0.23 -1.14 0.05 0.00 -2.01 0.00 0.00 31.31 28.44 2tmd n TRP 282 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.69 176.96 2tmd h VAL 283 N -0.27 1.16 0.00 -0.99 2.07 -1.21 -2.71 116.25 114.30 2tmd h VAL 283 Ca -0.41 -0.31 -0.04 0.00 0.82 0.00 0.00 66.70 66.76 2tmd h VAL 283 Cb 1.81 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 2tmd h VAL 283 CO -0.02 0.16 -0.18 0.07 0.02 0.00 0.00 177.57 177.63 2tmd h LYS 284 N 0.89 0.00 -0.60 1.57 2.10 -1.52 -1.23 116.57 117.78 2tmd h LYS 284 Ca 0.25 0.00 0.17 0.00 -2.00 0.00 0.00 60.65 59.07 2tmd h LYS 284 Cb -0.09 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.22 2tmd h LYS 284 CO -0.06 0.18 0.43 -0.07 -2.00 0.00 0.00 179.45 177.93 2tmd h LEU 285 N 0.00 0.04 0.04 7.07 4.07 -1.65 -2.68 115.31 122.19 2tmd h LEU 285 Ca -0.00 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.81 2tmd h LEU 285 Cb 0.41 -0.01 0.01 0.00 1.08 0.00 0.00 40.66 42.16 2tmd h LEU 285 CO 0.02 0.02 -0.59 0.58 -1.08 0.00 0.00 178.44 177.39 2tmd h VAL 286 N 0.04 1.48 0.00 1.22 2.07 -1.34 -3.19 116.25 116.52 2tmd h VAL 286 Ca 0.29 -2.19 -0.02 0.00 0.82 0.00 0.00 66.70 65.60 2tmd h VAL 286 Cb 1.09 2.80 -0.00 0.00 -1.52 0.00 0.00 31.29 33.66 2tmd h VAL 286 CO -0.01 0.63 -0.09 0.50 0.02 0.00 0.00 177.57 178.61 2tmd h LYS 287 N -0.25 0.00 -0.95 1.57 1.63 -1.58 0.66 116.57 117.65 2tmd h LYS 287 Ca -0.08 0.00 0.15 0.00 -0.85 0.00 0.00 60.65 59.87 2tmd h LYS 287 Cb 1.35 0.00 -0.08 0.00 -0.60 0.00 0.00 32.23 32.90 2tmd h LYS 287 CO 0.11 0.09 0.60 1.96 -3.45 0.00 0.00 179.45 178.77 2tmd h GLN 288 N 0.00 0.76 0.00 1.90 4.20 -1.50 -3.26 115.11 117.21 2tmd h GLN 288 Ca -0.00 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.66 2tmd h GLN 288 Cb 0.27 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.88 2tmd h GLN 288 CO 0.01 0.50 -0.79 1.33 -0.67 0.00 0.00 178.83 179.22 2tmd n VAL 289 N -4.62 0.00 -3.09 -0.54 0.24 -0.46 -5.03 118.33 104.83 2tmd n VAL 289 Ca 0.19 -0.23 -0.32 0.00 -2.04 0.00 0.00 64.34 61.95 2tmd n VAL 289 Cb 0.47 0.65 -0.05 0.00 -1.47 0.00 0.00 33.84 33.44 2tmd n VAL 289 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2tmd s SER 290 N -2.07 6.69 0.00 -1.34 0.15 0.10 -4.75 113.70 112.47 2tmd s SER 290 Ca -0.00 1.20 0.12 0.00 0.70 0.00 0.00 55.95 57.97 2tmd s SER 290 Cb 0.03 -2.34 0.28 0.00 -1.71 0.00 0.00 66.02 62.28 2tmd s SER 290 CO 0.20 -0.25 1.18 0.29 1.20 0.00 0.00 173.24 175.86 2tmd n LYS 291 N -0.62 2.29 -4.37 5.44 4.01 -1.26 -4.86 118.16 118.78 2tmd n LYS 291 Ca 0.03 -1.89 -0.24 0.00 -0.51 0.00 0.00 58.31 55.71 2tmd n LYS 291 Cb 0.53 -1.29 -0.08 0.00 -0.51 0.00 0.00 35.03 33.68 2tmd n LYS 291 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 2tmd s LYS 292 N -1.01 2.02 0.19 1.97 -0.14 -1.26 -5.08 119.74 116.43 2tmd s LYS 292 Ca 0.23 -1.59 -0.33 0.00 -1.36 0.00 0.00 55.97 52.92 2tmd s LYS 292 Cb 0.13 -1.98 -0.13 0.00 -1.68 0.00 0.00 37.83 34.17 2tmd s LYS 292 CO 0.17 0.33 1.64 -2.30 -0.76 0.00 0.00 175.35 174.43 2tmd n PRO 293 N -0.78 2.45 -4.64 -1.68 -0.02 -1.26 -4.81 135.00 124.26 2tmd n PRO 293 Ca -0.06 0.88 -0.29 0.00 -2.02 0.00 0.00 63.50 62.01 2tmd n PRO 293 Cb 0.60 -2.68 -0.14 0.00 -0.02 0.00 0.00 33.50 31.25 2tmd n PRO 293 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2tmd s VAL 294 N 0.94 2.16 0.11 -1.45 -7.23 -1.26 -0.83 120.40 112.85 2tmd s VAL 294 Ca 0.76 -1.56 0.03 0.00 -1.81 0.00 0.00 61.98 59.40 2tmd s VAL 294 Cb -0.59 -1.89 -0.04 0.00 0.56 0.00 0.00 36.38 34.42 2tmd s VAL 294 CO 0.36 0.22 -0.09 -1.48 -0.31 0.00 0.00 175.10 173.80 2tmd s LEU 295 N -1.64 2.48 -0.27 1.32 0.05 -0.38 -1.18 118.68 119.06 2tmd s LEU 295 Ca 0.12 -0.94 -0.06 0.00 0.05 0.00 0.00 54.13 53.30 2tmd s LEU 295 Cb -0.10 -0.25 0.14 0.00 -2.05 0.00 0.00 46.19 43.93 2tmd s LEU 295 CO 0.04 -0.35 0.55 -0.83 -0.55 0.00 0.00 176.35 175.21 2tmd s GLY 296 N -2.88 -0.66 0.83 -3.48 0.00 -1.26 -1.43 107.32 98.43 2tmd s GLY 296 Ca 0.11 1.83 -0.13 0.00 0.00 0.00 0.00 44.72 46.53 2tmd s GLY 296 CO -0.01 2.93 0.95 3.33 0.00 0.00 0.00 173.10 180.29 2tmd n VAL 297 N 5.42 1.41 -2.13 1.40 0.24 -1.26 -4.62 118.33 118.80 2tmd n VAL 297 Ca -0.07 -0.21 -0.02 0.00 -2.04 0.00 0.00 64.34 62.00 2tmd n VAL 297 Cb 0.50 -1.00 0.01 0.00 -1.47 0.00 0.00 33.84 31.88 2tmd n VAL 297 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2tmd n GLY 298 N 0.86 0.07 3.92 7.63 0.00 -1.26 -4.67 105.19 111.74 2tmd n GLY 298 Ca 0.12 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 2tmd n GLY 298 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2tmd n ARG 299 N -0.31 -0.63 -3.03 1.61 0.63 -1.26 0.37 116.66 114.04 2tmd n ARG 299 Ca -0.09 0.23 -0.41 0.00 -0.92 0.00 0.00 57.85 56.65 2tmd n ARG 299 Cb 0.54 -3.17 -0.06 0.00 0.45 0.00 0.00 32.46 30.23 2tmd n ARG 299 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 2tmd s TYR 300 N -3.50 3.21 0.00 -0.14 2.02 -1.26 -4.61 117.35 113.07 2tmd s TYR 300 Ca 0.49 0.70 0.00 0.00 -0.37 0.00 0.00 57.07 57.89 2tmd s TYR 300 Cb -0.23 -3.11 0.00 0.00 -0.40 0.00 0.00 41.96 38.22 2tmd s TYR 300 CO 0.93 -0.52 0.00 0.25 -1.57 0.00 0.00 175.55 174.63 2tmd n THR 301 N 5.47 0.00 -3.86 -0.71 -2.24 -1.26 -4.74 114.28 106.94 2tmd n THR 301 Ca 0.01 -0.31 -0.36 0.00 -2.27 0.00 0.00 64.05 61.13 2tmd n THR 301 Cb 0.48 0.89 -0.14 0.00 -2.10 0.00 0.00 70.33 69.47 2tmd n THR 301 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2tmd s ASP 302 N -0.87 4.58 0.61 3.42 2.15 -1.26 -4.99 116.67 120.31 2tmd s ASP 302 Ca 0.00 -0.47 0.37 0.00 0.43 0.00 0.00 52.55 52.89 2tmd s ASP 302 Cb 0.00 -1.78 2.02 0.00 -0.30 0.00 0.00 42.92 42.85 2tmd s ASP 302 CO 0.00 -0.06 2.25 1.55 -0.17 0.00 0.00 175.17 178.74 2tmd h PRO 303 N 8.14 0.00 -0.30 4.34 0.13 -1.98 -0.30 132.00 142.03 2tmd h PRO 303 Ca -0.38 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.57 2tmd h PRO 303 Cb 1.15 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 2tmd h PRO 303 CO 0.60 0.02 -0.52 0.93 -0.23 0.00 0.00 178.00 178.80 2tmd h GLU 304 N 0.00 0.87 -0.30 0.86 4.39 -1.99 -0.57 114.58 117.84 2tmd h GLU 304 Ca -0.00 -0.53 -0.06 0.00 0.34 0.00 0.00 59.36 59.10 2tmd h GLU 304 Cb 0.12 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 2tmd h GLU 304 CO 0.00 1.17 -0.06 0.87 -1.16 0.00 0.00 179.01 179.84 2tmd h LYS 305 N 0.68 0.57 -0.41 2.33 1.79 -1.54 -1.98 116.57 118.01 2tmd h LYS 305 Ca 0.02 -0.21 0.05 0.00 -2.18 0.00 0.00 60.65 58.33 2tmd h LYS 305 Cb 1.12 -0.04 -0.05 0.00 -1.58 0.00 0.00 32.23 31.69 2tmd h LYS 305 CO 0.12 0.75 0.14 0.52 -1.08 0.00 0.00 179.45 179.90 2tmd h MET 306 N 0.34 0.29 0.00 3.15 2.86 -1.12 -2.27 114.93 118.18 2tmd h MET 306 Ca 0.08 -0.02 -0.09 0.00 -2.06 0.00 0.00 59.70 57.61 2tmd h MET 306 Cb 0.53 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 2tmd h MET 306 CO 0.03 0.19 -0.45 -0.84 1.06 0.00 0.00 176.91 176.90 2tmd h ILE 307 N 0.30 1.09 -0.52 -1.22 3.07 -1.08 -2.85 117.51 116.30 2tmd h ILE 307 Ca 0.19 -1.69 -0.03 0.00 1.55 0.00 0.00 64.86 64.89 2tmd h ILE 307 Cb 0.18 1.97 -0.02 0.00 -0.27 0.00 0.00 36.82 38.68 2tmd h ILE 307 CO -0.20 0.44 0.21 -0.08 -1.05 0.00 0.00 178.15 177.47 2tmd h GLU 308 N 0.00 0.77 0.01 0.16 4.81 -0.80 -0.77 114.58 118.76 2tmd h GLU 308 Ca -0.00 -0.14 -0.19 0.00 -0.13 0.00 0.00 59.36 58.90 2tmd h GLU 308 Cb 0.94 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.17 2tmd h GLU 308 CO 0.06 0.68 -0.89 -0.84 -0.73 0.00 0.00 179.01 177.29 2tmd h ILE 309 N 0.70 1.61 0.04 2.32 3.07 -1.31 0.01 117.51 123.94 2tmd h ILE 309 Ca 0.17 -2.95 -0.00 0.00 1.55 0.00 0.00 64.86 63.63 2tmd h ILE 309 Cb 0.20 2.61 0.00 0.00 -0.27 0.00 0.00 36.82 39.36 2tmd h ILE 309 CO -0.01 0.85 -0.02 0.58 -1.05 0.00 0.00 178.15 178.49 2tmd h VAL 310 N 0.02 1.29 0.00 0.16 2.07 -1.42 0.33 116.25 118.69 2tmd h VAL 310 Ca -0.02 -1.09 -0.11 0.00 0.82 0.00 0.00 66.70 66.29 2tmd h VAL 310 Cb 1.56 2.01 -0.02 0.00 -1.52 0.00 0.00 31.29 33.32 2tmd h VAL 310 CO 0.12 0.27 -0.55 0.71 0.02 0.00 0.00 177.57 178.15 2tmd h THR 311 N -0.54 1.21 -0.01 2.57 1.35 -1.14 -1.79 112.91 114.56 2tmd h THR 311 Ca -0.01 -1.99 0.00 0.00 -0.55 0.00 0.00 66.41 63.86 2tmd h THR 311 Cb 0.49 2.13 0.00 0.00 -1.73 0.00 0.00 68.15 69.04 2tmd h THR 311 CO 0.01 0.53 0.00 0.29 -0.25 0.00 0.00 175.52 176.10 2tmd n LYS 312 N -3.63 1.09 -2.17 4.72 5.02 -0.01 -4.90 118.16 118.27 2tmd n LYS 312 Ca -0.01 -0.13 -0.08 0.00 -2.02 0.00 0.00 58.31 56.07 2tmd n LYS 312 Cb 0.61 -1.42 -0.00 0.00 -0.02 0.00 0.00 35.03 34.19 2tmd n LYS 312 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2tmd n GLY 313 N 0.95 0.04 0.11 0.72 0.00 -0.67 -4.93 105.19 101.41 2tmd n GLY 313 Ca 0.20 -0.54 -0.17 0.00 0.00 0.00 0.00 46.02 45.52 2tmd n GLY 313 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2tmd h TYR 314 N -0.02 0.41 -3.65 1.61 0.05 -0.57 -3.46 116.97 111.33 2tmd h TYR 314 Ca -0.20 -0.30 -0.07 0.00 0.05 0.00 0.00 58.73 58.22 2tmd h TYR 314 Cb 1.14 -0.02 -0.12 0.00 1.01 0.00 0.00 36.73 38.75 2tmd h TYR 314 CO 0.22 1.40 -0.18 0.00 -1.05 0.00 0.00 178.16 178.54 2tmd s ALA 315 N -2.61 -0.38 -0.09 3.88 0.00 -0.97 -4.36 121.76 117.23 2tmd s ALA 315 Ca -0.10 -0.60 0.12 0.00 0.00 0.00 0.00 51.96 51.37 2tmd s ALA 315 Cb 0.07 0.83 -0.17 0.00 0.00 0.00 0.00 23.12 23.85 2tmd s ALA 315 CO 0.84 -0.70 0.11 -0.25 0.00 0.00 0.00 175.76 175.76 2tmd n ASP 316 N -0.25 1.95 -4.23 0.00 8.00 -0.33 -3.91 116.55 117.78 2tmd n ASP 316 Ca -0.09 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.20 2tmd n ASP 316 Cb 0.63 1.03 -0.12 0.00 -0.02 0.00 0.00 41.12 42.64 2tmd n ASP 316 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2tmd s ILE 317 N -2.48 1.43 -0.49 0.53 1.01 -1.18 -4.94 121.20 115.08 2tmd s ILE 317 Ca -0.06 -1.43 -0.17 0.00 0.00 0.00 0.00 60.65 58.99 2tmd s ILE 317 Cb 0.05 -1.32 0.07 0.00 0.01 0.00 0.00 42.46 41.26 2tmd s ILE 317 CO 0.52 -0.13 0.51 -0.63 0.00 0.00 0.00 174.94 175.20 2tmd s ILE 318 N -1.21 5.06 0.04 2.92 -1.09 0.33 -4.45 121.20 122.80 2tmd s ILE 318 Ca 0.02 -0.79 -0.22 0.00 -2.23 0.00 0.00 60.65 57.44 2tmd s ILE 318 Cb -0.10 -4.21 -0.06 0.00 -1.58 0.00 0.00 42.46 36.51 2tmd s ILE 318 CO 0.03 -0.69 0.65 -0.83 -1.23 0.00 0.00 174.94 172.87 2tmd s GLY 319 N 2.65 2.70 -0.03 6.18 0.00 -1.26 -1.50 107.32 116.05 2tmd s GLY 319 Ca 0.09 0.12 -0.04 0.00 0.00 0.00 0.00 44.72 44.90 2tmd s GLY 319 CO 0.09 0.78 0.10 0.00 0.00 0.00 0.00 173.10 174.07 2tmd n ALA 321 N 2.87 2.23 -0.29 0.00 0.00 -1.26 -2.03 120.51 122.03 2tmd n ALA 321 Ca -0.13 -0.04 -0.05 0.00 0.00 0.00 0.00 53.44 53.22 2tmd n ALA 321 Cb 0.59 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.11 2tmd n ALA 321 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2tmd h ARG 322 N 0.00 1.08 -0.40 0.00 3.08 -1.97 -0.68 114.38 115.48 2tmd h ARG 322 Ca 0.00 -0.11 0.12 0.00 0.07 0.00 0.00 59.98 60.06 2tmd h ARG 322 Cb 0.00 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.81 2tmd h ARG 322 CO 0.00 0.77 0.32 -1.35 -1.07 0.00 0.00 179.97 178.64 2tmd h PRO 323 N 1.09 0.00 0.00 0.04 0.11 -1.90 -0.42 132.00 130.91 2tmd h PRO 323 Ca 0.28 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.30 2tmd h PRO 323 Cb -0.02 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.07 2tmd h PRO 323 CO -0.05 0.00 -0.64 0.66 -0.21 0.00 0.00 178.00 177.76 2tmd h SER 324 N 0.00 0.00 -0.01 -2.05 4.64 -1.38 -1.29 113.55 113.46 2tmd h SER 324 Ca 0.19 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.46 2tmd h SER 324 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 2tmd h SER 324 CO -0.00 0.42 -0.21 0.40 -0.87 0.00 0.00 176.83 176.57 2tmd h ILE 325 N 0.00 1.54 -0.65 0.95 2.04 -0.75 -2.93 117.51 117.71 2tmd h ILE 325 Ca -0.03 -1.86 -0.05 0.00 1.00 0.00 0.00 64.86 63.92 2tmd h ILE 325 Cb 1.35 2.70 -0.03 0.00 -0.74 0.00 0.00 36.82 40.10 2tmd h ILE 325 CO 0.05 0.51 0.22 0.00 0.00 0.00 0.00 178.15 178.93 2tmd h ALA 326 N 0.29 0.85 -2.73 1.87 0.00 -1.21 -3.38 119.26 114.94 2tmd h ALA 326 Ca -0.02 -0.20 -0.56 0.00 0.00 0.00 0.00 54.91 54.13 2tmd h ALA 326 Cb 0.94 -0.25 -0.40 0.00 0.00 0.00 0.00 17.79 18.09 2tmd h ALA 326 CO 0.04 0.50 -0.81 0.34 0.00 0.00 0.00 179.25 179.32 2tmd s ASP 327 N -6.23 3.31 0.42 0.00 -1.08 -0.49 -4.42 116.67 108.17 2tmd s ASP 327 Ca -0.13 -1.82 0.27 0.00 -0.52 0.00 0.00 52.55 50.35 2tmd s ASP 327 Cb 0.14 -0.45 1.47 0.00 -1.46 0.00 0.00 42.92 42.61 2tmd s ASP 327 CO 0.82 -0.37 1.82 -0.65 0.52 0.00 0.00 175.17 177.31 2tmd h PRO 328 N 7.62 0.00 -0.28 4.34 0.11 -1.70 -1.60 132.00 140.48 2tmd h PRO 328 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 2tmd h PRO 328 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 2tmd h PRO 328 CO 0.36 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.34 2tmd n PHE 329 N -2.46 0.83 -0.27 0.65 3.01 -1.26 -4.32 117.46 113.64 2tmd n PHE 329 Ca -0.02 -0.78 0.04 0.00 1.01 0.00 0.00 57.45 57.70 2tmd n PHE 329 Cb 0.07 -0.25 0.14 0.00 -0.01 0.00 0.00 39.48 39.44 2tmd n PHE 329 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 2tmd h LEU 330 N 1.86 -0.50 -0.58 4.37 7.12 -1.52 -0.83 115.31 125.23 2tmd h LEU 330 Ca 0.00 0.22 -0.12 0.00 0.13 0.00 0.00 57.88 58.10 2tmd h LEU 330 Cb 1.27 0.41 -0.01 0.00 -0.53 0.00 0.00 40.66 41.79 2tmd h LEU 330 CO 0.17 -0.22 -0.19 -0.65 -0.13 0.00 0.00 178.44 177.42 2tmd h PRO 331 N 0.05 0.94 -0.66 5.25 0.11 -1.84 -2.20 132.00 133.65 2tmd h PRO 331 Ca 0.41 -0.38 -0.07 0.00 0.11 0.00 0.00 66.00 66.07 2tmd h PRO 331 Cb 0.70 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.74 2tmd h PRO 331 CO -0.73 1.04 0.12 0.37 -0.21 0.00 0.00 178.00 178.59 2tmd h GLN 332 N 0.82 1.06 -0.63 1.05 4.15 -0.54 -0.72 115.11 120.30 2tmd h GLN 332 Ca 0.11 -0.27 -0.08 0.00 0.77 0.00 0.00 58.65 59.18 2tmd h GLN 332 Cb 0.75 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.28 2tmd h GLN 332 CO 0.06 0.97 0.08 0.87 -1.93 0.00 0.00 178.83 178.87 2tmd h LYS 333 N 1.00 1.06 -0.27 1.69 1.57 -0.99 -0.52 116.57 120.11 2tmd h LYS 333 Ca 0.20 -0.30 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 2tmd h LYS 333 Cb 0.41 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 2tmd h LYS 333 CO 0.01 0.99 0.11 0.28 -0.57 0.00 0.00 179.45 180.27 2tmd h VAL 334 N 0.97 1.17 -0.39 0.50 2.07 -1.28 0.58 116.25 119.87 2tmd h VAL 334 Ca 0.19 -0.53 0.03 0.00 0.82 0.00 0.00 66.70 67.21 2tmd h VAL 334 Cb 0.47 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 2tmd h VAL 334 CO 0.02 0.18 0.18 -0.08 0.02 0.00 0.00 177.57 177.89 2tmd h GLU 335 N 0.29 0.36 -0.01 1.57 4.81 -0.93 -2.40 114.58 118.27 2tmd h GLU 335 Ca 0.09 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 2tmd h GLU 335 Cb 0.18 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.48 2tmd h GLU 335 CO -0.01 0.24 -0.04 1.04 -0.73 0.00 0.00 179.01 179.51 2tmd n GLN 336 N -4.95 1.04 -1.01 1.92 6.02 -0.22 -4.30 117.38 115.89 2tmd n GLN 336 Ca 0.02 -0.34 -0.00 0.00 -0.01 0.00 0.00 57.00 56.67 2tmd n GLN 336 Cb 0.11 -1.49 -0.00 0.00 1.02 0.00 0.00 30.24 29.87 2tmd n GLN 336 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2tmd n GLY 337 N 1.16 0.47 2.43 1.08 0.00 0.18 -4.17 105.19 106.34 2tmd n GLY 337 Ca 0.19 -0.36 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 2tmd n GLY 337 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2tmd n ARG 338 N -2.90 4.17 0.28 1.61 1.74 0.18 -4.70 116.66 117.03 2tmd n ARG 338 Ca -0.00 -3.03 0.14 0.00 -0.77 0.00 0.00 57.85 54.18 2tmd n ARG 338 Cb 0.02 -2.61 0.81 0.00 -1.02 0.00 0.00 32.46 29.65 2tmd n ARG 338 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 2tmd h TYR 339 N 4.52 0.00 -0.01 -1.55 0.05 -1.92 -1.14 116.97 116.91 2tmd h TYR 339 Ca 0.71 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.49 2tmd h TYR 339 Cb 0.36 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.10 2tmd h TYR 339 CO 1.66 0.07 -0.08 -0.40 -1.05 0.00 0.00 178.16 178.37 2tmd n ASP 340 N -3.74 0.71 -0.53 3.88 5.75 -1.26 -2.69 116.55 118.66 2tmd n ASP 340 Ca -0.02 -0.92 0.12 0.00 -0.01 0.00 0.00 54.79 53.96 2tmd n ASP 340 Cb 0.17 -0.02 0.23 0.00 -1.03 0.00 0.00 41.12 40.47 2tmd n ASP 340 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2tmd n ASP 341 N -0.64 1.88 -4.62 -1.12 8.00 -0.43 -4.85 116.55 114.76 2tmd n ASP 341 Ca 0.17 -1.46 -0.43 0.00 0.71 0.00 0.00 54.79 53.79 2tmd n ASP 341 Cb 0.27 0.18 -0.02 0.00 -0.02 0.00 0.00 41.12 41.53 2tmd n ASP 341 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2tmd s ILE 342 N -2.28 3.88 -0.67 0.53 1.01 -1.10 -4.96 121.20 117.61 2tmd s ILE 342 Ca 0.26 0.97 -0.27 0.00 0.00 0.00 0.00 60.65 61.61 2tmd s ILE 342 Cb 0.19 -3.95 0.03 0.00 0.01 0.00 0.00 42.46 38.75 2tmd s ILE 342 CO 0.45 -0.44 1.22 -0.60 0.00 0.00 0.00 174.94 175.57 2tmd s ARG 343 N 4.60 3.31 -0.10 2.79 3.52 -1.26 -5.00 118.95 126.81 2tmd s ARG 343 Ca 0.65 -0.09 -0.26 0.00 -0.13 0.00 0.00 55.73 55.89 2tmd s ARG 343 Cb -0.20 -4.12 -0.02 0.00 -1.56 0.00 0.00 34.95 29.05 2tmd s ARG 343 CO 0.28 -1.94 0.85 0.08 -0.81 0.00 0.00 175.30 173.76 2tmd s VAL 344 N 5.30 4.91 0.14 7.11 1.01 -1.26 -3.99 120.40 133.62 2tmd s VAL 344 Ca 0.37 1.73 -0.34 0.00 0.00 0.00 0.00 61.98 63.74 2tmd s VAL 344 Cb -0.08 -4.17 -0.14 0.00 0.00 0.00 0.00 36.38 31.99 2tmd s VAL 344 CO 0.19 0.11 1.61 0.00 0.00 0.00 0.00 175.10 177.01 2tmd n ILE 346 N 3.60 0.44 -2.36 0.00 -5.35 -1.26 -4.95 119.36 109.48 2tmd n ILE 346 Ca 0.17 -0.48 -0.21 0.00 -0.27 0.00 0.00 62.75 61.97 2tmd n ILE 346 Cb 0.29 0.29 -0.01 0.00 -1.74 0.00 0.00 39.64 38.47 2tmd n ILE 346 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2tmd n GLY 347 N 1.11 -0.38 0.18 3.28 0.00 -1.26 -4.45 105.19 103.67 2tmd n GLY 347 Ca 0.14 -0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.23 2tmd n GLY 347 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2tmd n ASN 349 N -3.13 -4.98 0.23 0.00 4.13 -1.26 -4.89 115.26 105.36 2tmd n ASN 349 Ca 0.03 0.37 0.10 0.00 1.68 0.00 0.00 54.58 56.76 2tmd n ASN 349 Cb 0.62 -3.94 0.57 0.00 -1.54 0.00 0.00 39.78 35.48 2tmd n ASN 349 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 2tmd h VAL 350 N 0.00 0.65 -0.15 2.41 2.07 -1.91 -1.98 116.25 117.34 2tmd h VAL 350 Ca -0.34 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.27 2tmd h VAL 350 Cb 1.09 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 32.44 2tmd h VAL 350 CO 0.49 0.20 0.06 0.00 0.02 0.00 0.00 177.57 178.34 2tmd h ILE 352 N 0.09 1.00 -0.80 0.00 2.04 -1.80 -3.20 117.51 114.82 2tmd h ILE 352 Ca 0.05 -0.25 0.05 0.00 1.00 0.00 0.00 64.86 65.71 2tmd h ILE 352 Cb 0.16 0.21 -0.05 0.00 -0.74 0.00 0.00 36.82 36.41 2tmd h ILE 352 CO -0.00 0.13 0.53 0.77 0.00 0.00 0.00 178.15 179.57 2tmd h SER 353 N 0.72 0.81 -0.58 1.72 4.64 -1.16 -0.47 113.55 119.23 2tmd h SER 353 Ca 0.29 -0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.56 2tmd h SER 353 Cb 0.14 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 2tmd h SER 353 CO -0.16 0.54 0.16 0.03 -0.87 0.00 0.00 176.83 176.53 2tmd h ARG 354 N 0.93 0.92 -0.30 4.77 2.47 -1.53 -0.75 114.38 120.88 2tmd h ARG 354 Ca 0.33 -0.21 -0.02 0.00 -1.26 0.00 0.00 59.98 58.83 2tmd h ARG 354 Cb 0.14 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.32 2tmd h ARG 354 CO -0.11 0.84 0.13 2.35 0.56 0.00 0.00 179.97 183.74 2tmd h TRP 355 N 0.83 0.45 -0.90 3.04 7.01 -1.29 -2.94 115.95 122.14 2tmd h TRP 355 Ca 0.18 -0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.14 2tmd h TRP 355 Cb 0.32 -0.14 -0.04 0.00 -2.10 0.00 0.00 29.16 27.20 2tmd h TRP 355 CO 0.02 0.43 0.52 0.93 -2.79 0.00 0.00 178.44 177.55 2tmd h GLU 356 N 0.34 1.24 -0.26 2.65 4.39 -0.87 -0.20 114.58 121.87 2tmd h GLU 356 Ca 0.10 -0.13 0.07 0.00 0.34 0.00 0.00 59.36 59.74 2tmd h GLU 356 Cb 0.17 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 2tmd h GLU 356 CO -0.01 0.89 0.18 0.82 -1.16 0.00 0.00 179.01 179.73 2tmd h ILE 357 N 1.25 0.88 -1.40 3.13 2.04 -1.05 -3.47 117.51 118.90 2tmd h ILE 357 Ca 0.32 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 66.17 2tmd h ILE 357 Cb -0.01 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 2tmd h ILE 357 CO -0.06 0.01 0.00 0.61 0.00 0.00 0.00 178.15 178.71 2tmd n GLY 358 N -1.58 -1.25 0.00 5.37 0.00 -0.09 -4.92 105.19 102.73 2tmd n GLY 358 Ca 0.03 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.42 2tmd n GLY 358 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2tmd n GLY 359 N 0.54 2.78 3.77 -0.02 0.00 -1.17 -4.76 105.19 106.32 2tmd n GLY 359 Ca 0.00 -0.78 -0.34 0.00 0.00 0.00 0.00 46.02 44.90 2tmd n GLY 359 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2tmd s PRO 360 N 0.00 2.98 0.71 1.61 0.02 -1.25 -4.92 135.00 134.15 2tmd s PRO 360 Ca 0.00 1.57 -0.15 0.00 0.02 0.00 0.00 61.00 62.44 2tmd s PRO 360 Cb 0.00 -1.96 0.03 0.00 0.02 0.00 0.00 34.50 32.59 2tmd s PRO 360 CO 0.00 -1.14 1.19 -1.25 -0.33 0.00 0.00 177.00 175.47 2tmd s PRO 361 N -3.66 2.31 0.59 5.54 0.04 -1.26 -4.36 135.00 134.20 2tmd s PRO 361 Ca 0.71 1.68 -0.19 0.00 0.04 0.00 0.00 61.00 63.25 2tmd s PRO 361 Cb -0.24 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 2tmd s PRO 361 CO 0.35 -1.68 1.22 0.00 0.04 0.00 0.00 177.00 176.92 2tmd s MET 362 N -3.92 2.97 0.14 4.56 0.23 -0.23 -4.80 119.30 118.24 2tmd s MET 362 Ca 0.73 1.85 0.04 0.00 -1.03 0.00 0.00 55.69 57.28 2tmd s MET 362 Cb -0.27 -1.94 -0.04 0.00 -1.53 0.00 0.00 34.83 31.05 2tmd s MET 362 CO 0.44 -1.22 -0.10 0.96 -2.03 0.00 0.00 175.02 173.07 2tmd s ILE 363 N -1.57 1.16 -0.05 3.16 -4.36 -1.26 -4.47 121.20 113.80 2tmd s ILE 363 Ca 0.77 -2.02 0.01 0.00 -0.26 0.00 0.00 60.65 59.16 2tmd s ILE 363 Cb -0.31 -1.80 0.02 0.00 1.25 0.00 0.00 42.46 41.62 2tmd s ILE 363 CO 0.34 -0.72 -0.07 0.00 0.24 0.00 0.00 174.94 174.72 2tmd h THR 365 N 6.09 1.03 -0.01 0.00 2.02 -1.95 -3.22 112.91 116.87 2tmd h THR 365 Ca -0.35 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.56 2tmd h THR 365 Cb 1.16 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 2tmd h THR 365 CO 0.47 0.14 -0.05 1.56 0.37 0.00 0.00 175.52 178.01 2tmd h GLN 366 N 0.75 0.04 -4.22 6.66 1.08 -1.92 -3.44 115.11 114.06 2tmd h GLN 366 Ca 0.28 -0.04 -0.73 0.00 -1.45 0.00 0.00 58.65 56.72 2tmd h GLN 366 Cb 0.11 0.01 -0.30 0.00 -0.05 0.00 0.00 27.48 27.25 2tmd h GLN 366 CO -0.14 0.74 -0.36 1.21 -0.95 0.00 0.00 178.83 179.32 2tmd s ASN 367 N -5.99 5.72 0.00 1.46 2.47 -1.22 -4.92 114.94 112.46 2tmd s ASN 367 Ca -0.17 -2.04 0.21 0.00 0.42 0.00 0.00 52.86 51.28 2tmd s ASN 367 Cb 0.00 -2.01 1.10 0.00 -1.45 0.00 0.00 41.25 38.89 2tmd s ASN 367 CO 0.69 -0.66 1.67 0.00 -3.72 0.00 0.00 177.10 175.09 2tmd n ALA 368 N 4.73 2.13 0.67 1.71 0.00 -1.26 -2.27 120.51 126.22 2tmd n ALA 368 Ca -0.05 -0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.40 2tmd n ALA 368 Cb 0.41 -1.34 0.11 0.00 0.00 0.00 0.00 19.45 18.62 2tmd n ALA 368 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2tmd n THR 369 N -1.24 0.18 -1.69 0.00 -2.24 -1.26 -4.76 114.28 103.27 2tmd n THR 369 Ca 0.11 -0.19 -0.42 0.00 -2.27 0.00 0.00 64.05 61.28 2tmd n THR 369 Cb 0.15 0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.51 2tmd n THR 369 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2tmd s ALA 370 N -3.14 3.70 0.00 6.98 0.00 -0.96 0.45 121.76 128.79 2tmd s ALA 370 Ca 0.06 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.44 2tmd s ALA 370 Cb 0.15 -3.80 0.00 0.00 0.00 0.00 0.00 23.12 19.47 2tmd s ALA 370 CO 0.76 -1.35 0.00 0.41 0.00 0.00 0.00 175.76 175.58 2tmd n GLY 371 N 4.35 2.05 0.40 0.00 0.00 -1.26 -4.59 105.19 106.14 2tmd n GLY 371 Ca 0.19 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.28 2tmd n GLY 371 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2tmd n GLU 372 N -2.00 1.59 -0.11 1.61 -0.58 0.17 -4.56 120.64 116.77 2tmd n GLU 372 Ca 0.00 -0.93 -0.08 0.00 -0.42 0.00 0.00 57.16 55.73 2tmd n GLU 372 Cb 0.00 -1.23 -0.01 0.00 -0.57 0.00 0.00 31.44 29.63 2tmd n GLU 372 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 2tmd h GLU 373 N 1.96 0.47 0.00 3.49 3.07 -1.59 -2.25 114.58 119.73 2tmd h GLU 373 Ca 0.00 -0.03 -0.06 0.00 -0.50 0.00 0.00 59.36 58.77 2tmd h GLU 373 Cb 0.52 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.32 2tmd h GLU 373 CO 0.00 0.31 -0.41 -0.92 -1.40 0.00 0.00 179.01 176.59 2tmd h TYR 374 N 0.48 0.00 -0.63 4.33 3.20 -1.84 -2.38 116.97 120.12 2tmd h TYR 374 Ca 0.13 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.97 2tmd h TYR 374 Cb -0.05 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.19 2tmd h TYR 374 CO -0.05 0.76 0.27 0.07 -1.64 0.00 0.00 178.16 177.57 2tmd h ARG 375 N -1.00 0.91 -0.06 1.82 0.11 -1.80 -3.24 114.38 111.13 2tmd h ARG 375 Ca -0.09 -0.14 0.00 0.00 0.10 0.00 0.00 59.98 59.85 2tmd h ARG 375 Cb 0.79 -0.16 0.00 0.00 1.11 0.00 0.00 29.97 31.70 2tmd h ARG 375 CO -0.06 0.74 0.00 2.89 0.10 0.00 0.00 179.97 183.64 2tmd n ARG 376 N -4.32 0.74 -1.70 0.08 0.00 -0.86 -0.38 116.66 110.21 2tmd n ARG 376 Ca 0.06 -1.13 -0.05 0.00 -0.00 0.00 0.00 57.85 56.72 2tmd n ARG 376 Cb 0.16 -1.12 -0.01 0.00 -0.00 0.00 0.00 32.46 31.48 2tmd n ARG 376 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2tmd n GLY 377 N 0.25 0.42 3.50 2.89 0.00 -0.90 -5.00 105.19 106.35 2tmd n GLY 377 Ca 0.04 -0.73 -0.43 0.00 0.00 0.00 0.00 46.02 44.90 2tmd n GLY 377 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2tmd s TRP 378 N -2.24 2.96 0.13 1.61 0.51 -1.18 -5.00 118.94 115.74 2tmd s TRP 378 Ca 0.00 -0.13 -0.29 0.00 -2.12 0.00 0.00 56.10 53.56 2tmd s TRP 378 Cb 0.00 -3.69 -0.07 0.00 -0.81 0.00 0.00 33.47 28.90 2tmd s TRP 378 CO 0.00 -1.09 0.93 -1.58 -0.51 0.00 0.00 176.95 174.70 2tmd s HIS 379 N 3.22 3.85 0.37 -1.98 2.46 -1.26 -4.01 115.29 117.94 2tmd s HIS 379 Ca 0.25 1.78 0.25 0.00 0.47 0.00 0.00 55.06 57.81 2tmd s HIS 379 Cb -0.15 -3.00 1.28 0.00 -0.13 0.00 0.00 32.58 30.58 2tmd s HIS 379 CO 0.18 0.29 2.01 -1.00 -2.47 0.00 0.00 174.74 173.74 2tmd h PRO 380 N 5.21 0.00 -0.08 2.88 0.13 -1.96 -3.17 132.00 135.01 2tmd h PRO 380 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2tmd h PRO 380 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2tmd h PRO 380 CO 0.71 0.16 0.00 0.39 -0.23 0.00 0.00 178.00 179.03 2tmd n GLU 381 N -3.68 1.76 -4.30 0.86 -0.58 -1.26 -5.00 120.64 108.43 2tmd n GLU 381 Ca -0.02 -1.35 -0.21 0.00 -0.42 0.00 0.00 57.16 55.16 2tmd n GLU 381 Cb 0.28 -1.09 -0.16 0.00 -0.57 0.00 0.00 31.44 29.91 2tmd n GLU 381 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2tmd s LYS 382 N -0.76 1.01 -0.02 3.49 1.02 -1.20 -5.14 119.74 118.14 2tmd s LYS 382 Ca 0.07 -0.21 0.02 0.00 0.02 0.00 0.00 55.97 55.87 2tmd s LYS 382 Cb 0.04 -0.94 0.00 0.00 -0.52 0.00 0.00 37.83 36.41 2tmd s LYS 382 CO 0.05 -0.01 -0.08 -0.06 -0.92 0.00 0.00 175.35 174.34 2tmd s PHE 383 N 0.66 0.83 0.24 3.18 0.08 -1.26 -4.35 117.98 117.35 2tmd s PHE 383 Ca -0.10 -0.19 -0.31 0.00 0.12 0.00 0.00 56.93 56.45 2tmd s PHE 383 Cb -0.13 -0.59 -0.11 0.00 -0.57 0.00 0.00 43.02 41.62 2tmd s PHE 383 CO 0.01 -0.08 1.60 0.50 -0.10 0.00 0.00 175.22 177.15 2tmd s ARG 384 N 0.15 4.16 -0.03 0.44 6.06 -1.26 -4.91 118.95 123.57 2tmd s ARG 384 Ca -0.02 2.50 -0.15 0.00 -2.50 0.00 0.00 55.73 55.56 2tmd s ARG 384 Cb -0.07 -3.08 -0.05 0.00 0.06 0.00 0.00 34.95 31.81 2tmd s ARG 384 CO 0.00 -0.63 0.42 -0.65 -2.50 0.00 0.00 175.30 171.94 2tmd s GLN 385 N 0.31 4.03 0.43 5.12 -1.52 -1.26 -4.54 119.66 122.23 2tmd s GLN 385 Ca 0.67 0.40 -0.24 0.00 -1.95 0.00 0.00 55.36 54.24 2tmd s GLN 385 Cb -0.47 -3.28 -0.08 0.00 -0.22 0.00 0.00 33.01 28.96 2tmd s GLN 385 CO 0.40 0.55 1.17 -0.08 -0.25 0.00 0.00 175.29 177.07 2tmd s THR 386 N -0.62 3.14 -0.22 -0.19 -1.32 -0.32 -4.95 115.64 111.16 2tmd s THR 386 Ca 0.24 0.91 0.16 0.00 -1.21 0.00 0.00 61.69 61.78 2tmd s THR 386 Cb -0.16 -3.48 0.66 0.00 -1.51 0.00 0.00 72.50 68.01 2tmd s THR 386 CO 0.12 0.03 1.57 0.29 -2.21 0.00 0.00 174.62 174.43 2tmd n LYS 387 N -0.21 3.81 -3.10 7.08 5.02 -1.26 -4.98 118.16 124.53 2tmd n LYS 387 Ca 0.06 -2.99 -0.10 0.00 -2.02 0.00 0.00 58.31 53.26 2tmd n LYS 387 Cb 0.47 -2.04 -0.04 0.00 -0.02 0.00 0.00 35.03 33.41 2tmd n LYS 387 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2tmd n ASN 388 N 0.00 -0.36 -0.59 4.39 0.23 -1.26 -5.08 115.26 112.59 2tmd n ASN 388 Ca 0.24 -2.08 0.05 0.00 -0.53 0.00 0.00 54.58 52.26 2tmd n ASN 388 Cb 1.03 0.85 0.19 0.00 -2.08 0.00 0.00 39.78 39.77 2tmd n ASN 388 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 2tmd n LYS 389 N -0.31 1.66 -2.04 -3.83 5.02 -1.26 -4.95 118.16 112.44 2tmd n LYS 389 Ca 0.04 -3.06 -0.42 0.00 -2.02 0.00 0.00 58.31 52.85 2tmd n LYS 389 Cb 0.30 -1.64 -0.03 0.00 -0.02 0.00 0.00 35.03 33.64 2tmd n LYS 389 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2tmd s ASP 390 N -2.91 6.69 0.16 4.39 1.11 -1.26 -4.82 116.67 120.04 2tmd s ASP 390 Ca 0.38 2.50 -0.05 0.00 0.18 0.00 0.00 52.55 55.56 2tmd s ASP 390 Cb 0.35 -2.59 -0.06 0.00 1.07 0.00 0.00 42.92 41.69 2tmd s ASP 390 CO -0.02 -0.74 0.40 -0.94 1.18 0.00 0.00 175.17 175.05 2tmd s SER 391 N 1.03 6.50 -0.05 0.27 1.04 -1.26 -2.78 113.70 118.45 2tmd s SER 391 Ca 0.67 0.62 0.02 0.00 0.48 0.00 0.00 55.95 57.74 2tmd s SER 391 Cb -0.41 -2.10 0.01 0.00 0.10 0.00 0.00 66.02 63.62 2tmd s SER 391 CO 0.32 0.03 -0.10 -0.69 0.98 0.00 0.00 173.24 173.77 2tmd s VAL 392 N -1.70 0.96 -0.22 5.02 1.01 0.88 -1.89 120.40 124.46 2tmd s VAL 392 Ca 0.42 -0.40 -0.12 0.00 0.00 0.00 0.00 61.98 61.88 2tmd s VAL 392 Cb -0.12 -0.88 -0.05 0.00 0.00 0.00 0.00 36.38 35.33 2tmd s VAL 392 CO 0.25 0.31 0.22 -0.22 0.00 0.00 0.00 175.10 175.66 2tmd s LEU 393 N 0.55 4.14 -0.23 3.92 2.96 -0.30 -0.45 118.68 129.26 2tmd s LEU 393 Ca -0.11 0.24 -0.02 0.00 -0.22 0.00 0.00 54.13 54.02 2tmd s LEU 393 Cb -0.14 -2.21 0.02 0.00 0.50 0.00 0.00 46.19 44.36 2tmd s LEU 393 CO 0.02 0.04 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.38 2tmd s ILE 394 N 1.03 2.82 -0.45 6.68 1.01 -0.01 0.06 121.20 132.34 2tmd s ILE 394 Ca 0.11 -0.91 -0.13 0.00 0.00 0.00 0.00 60.65 59.71 2tmd s ILE 394 Cb -0.14 -2.37 0.07 0.00 0.01 0.00 0.00 42.46 40.04 2tmd s ILE 394 CO 0.05 0.30 0.34 0.54 0.00 0.00 0.00 174.94 176.17 2tmd s VAL 395 N 1.35 4.88 0.00 2.92 0.11 -0.44 -1.48 120.40 127.74 2tmd s VAL 395 Ca 0.02 -1.15 0.00 0.00 -2.93 0.00 0.00 61.98 57.92 2tmd s VAL 395 Cb -0.16 -3.92 0.00 0.00 -1.53 0.00 0.00 36.38 30.77 2tmd s VAL 395 CO -0.06 -0.53 0.00 0.61 -3.33 0.00 0.00 175.10 171.79 2tmd n GLY 396 N 5.10 3.70 1.56 6.54 0.00 -0.01 -0.96 105.19 121.12 2tmd n GLY 396 Ca -0.12 -1.00 -0.14 0.00 0.00 0.00 0.00 46.02 44.76 2tmd n GLY 396 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2tmd n ALA 397 N 0.00 4.63 -1.29 4.61 0.00 -1.26 -4.23 120.51 122.97 2tmd n ALA 397 Ca 0.00 -3.60 0.00 0.00 0.00 0.00 0.00 53.44 49.84 2tmd n ALA 397 Cb 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.03 2tmd n ALA 397 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2tmd n GLY 398 N -0.87 -0.61 0.32 0.00 0.00 -1.26 -0.71 105.19 102.06 2tmd n GLY 398 Ca 0.37 -1.74 0.17 0.00 0.00 0.00 0.00 46.02 44.82 2tmd n GLY 398 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2tmd h PRO 399 N 0.00 0.29 0.06 1.61 0.11 -1.96 0.16 132.00 132.27 2tmd h PRO 399 Ca 0.00 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 2tmd h PRO 399 Cb 0.00 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.05 2tmd h PRO 399 CO 0.00 0.19 -0.03 0.66 -0.21 0.00 0.00 178.00 178.62 2tmd h SER 400 N 0.30 -0.06 -0.67 -2.05 4.64 -1.89 -3.04 113.55 110.78 2tmd h SER 400 Ca 0.62 -0.42 0.06 0.00 -0.47 0.00 0.00 61.79 61.57 2tmd h SER 400 Cb 1.28 0.02 -0.05 0.00 -0.31 0.00 0.00 62.40 63.34 2tmd h SER 400 CO -0.61 0.62 0.37 1.23 -0.87 0.00 0.00 176.83 177.57 2tmd h GLY 401 N -0.97 0.98 2.00 -0.77 0.00 -1.65 -0.42 103.07 102.24 2tmd h GLY 401 Ca -0.01 -0.26 -0.09 0.00 0.00 0.00 0.00 47.33 46.97 2tmd h GLY 401 CO 0.01 0.16 -0.44 1.48 0.00 0.00 0.00 176.54 177.76 2tmd h SER 402 N 0.69 0.00 -0.02 0.19 4.64 -0.84 -0.83 113.55 117.38 2tmd h SER 402 Ca 0.30 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.39 2tmd h SER 402 Cb 0.18 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.29 2tmd h SER 402 CO -0.18 0.44 -0.88 -0.08 -0.87 0.00 0.00 176.83 175.26 2tmd h GLU 403 N 0.00 0.62 -0.37 4.77 4.57 -1.26 -1.77 114.58 121.14 2tmd h GLU 403 Ca -0.00 -0.65 -0.01 0.00 -1.18 0.00 0.00 59.36 57.52 2tmd h GLU 403 Cb 0.88 0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 29.63 2tmd h GLU 403 CO 0.06 1.25 0.21 0.00 -1.18 0.00 0.00 179.01 179.35 2tmd h ALA 404 N 0.39 0.47 -0.25 2.92 0.00 -0.90 -1.32 119.26 120.57 2tmd h ALA 404 Ca -0.11 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.80 2tmd h ALA 404 Cb 1.55 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 19.12 2tmd h ALA 404 CO 0.17 -0.01 -0.16 0.00 0.00 0.00 0.00 179.25 179.25 2tmd h ALA 405 N 1.08 0.02 -0.65 0.00 0.00 -1.18 -1.11 119.26 117.42 2tmd h ALA 405 Ca 0.13 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2tmd h ALA 405 Cb 0.04 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2tmd h ALA 405 CO -0.02 -0.57 0.39 -0.09 0.00 0.00 0.00 179.25 178.95 2tmd h ARG 406 N -0.15 0.87 -0.17 0.00 2.43 -0.96 -0.25 114.38 116.16 2tmd h ARG 406 Ca 0.14 -0.08 -0.15 0.00 -0.81 0.00 0.00 59.98 59.08 2tmd h ARG 406 Cb 0.36 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 2tmd h ARG 406 CO -0.34 0.62 -0.47 0.28 -1.51 0.00 0.00 179.97 178.55 2tmd h VAL 407 N 0.88 1.33 -0.23 0.20 2.07 -1.04 -1.46 116.25 117.99 2tmd h VAL 407 Ca 0.23 -1.72 0.03 0.00 0.82 0.00 0.00 66.70 66.06 2tmd h VAL 407 Cb -0.03 1.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 2tmd h VAL 407 CO -0.04 0.53 0.05 -0.07 0.02 0.00 0.00 177.57 178.06 2tmd h LEU 408 N 0.28 0.03 -0.91 2.57 4.07 -0.97 -0.71 115.31 119.66 2tmd h LEU 408 Ca -0.01 0.03 0.02 0.00 0.08 0.00 0.00 57.88 58.01 2tmd h LEU 408 Cb 1.09 0.04 -0.05 0.00 1.08 0.00 0.00 40.66 42.82 2tmd h LEU 408 CO 0.10 0.05 0.60 0.24 -1.08 0.00 0.00 178.44 178.34 2tmd h MET 409 N 0.15 1.15 0.00 1.13 2.86 -0.95 0.12 114.93 119.38 2tmd h MET 409 Ca 0.10 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.65 2tmd h MET 409 Cb 0.10 -0.26 -0.00 0.00 0.06 0.00 0.00 31.60 31.49 2tmd h MET 409 CO -0.13 0.76 -0.11 0.93 1.06 0.00 0.00 176.91 179.42 2tmd h GLU 410 N 1.18 0.00 -0.25 1.72 4.39 -0.65 -1.28 114.58 119.69 2tmd h GLU 410 Ca 0.35 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.05 2tmd h GLU 410 Cb -0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 2tmd h GLU 410 CO -0.10 0.11 0.00 0.43 -1.16 0.00 0.00 179.01 178.29 2tmd n SER 411 N -4.28 1.50 0.00 1.42 7.64 0.37 -4.89 113.62 115.38 2tmd n SER 411 Ca -0.03 -1.90 0.00 0.00 1.01 0.00 0.00 58.87 57.96 2tmd n SER 411 Cb 0.19 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 2tmd n SER 411 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2tmd n GLY 412 N 0.99 0.83 3.73 0.23 0.00 -0.48 -1.18 105.19 109.32 2tmd n GLY 412 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 2tmd n GLY 412 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2tmd s TYR 413 N -3.23 2.39 -0.32 1.61 1.51 -1.03 -4.87 117.35 113.40 2tmd s TYR 413 Ca 0.00 1.09 -0.12 0.00 -1.01 0.00 0.00 57.07 57.02 2tmd s TYR 413 Cb 0.00 -3.22 -0.03 0.00 -0.11 0.00 0.00 41.96 38.60 2tmd s TYR 413 CO 0.00 -2.41 0.23 0.99 -1.11 0.00 0.00 175.55 173.25 2tmd s THR 414 N -3.05 5.29 0.05 -0.71 2.01 -1.12 -4.52 115.64 113.60 2tmd s THR 414 Ca 0.63 -0.08 0.08 0.00 0.31 0.00 0.00 61.69 62.64 2tmd s THR 414 Cb -0.17 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 68.65 2tmd s THR 414 CO 0.56 0.07 -0.23 0.68 -0.69 0.00 0.00 174.62 175.01 2tmd s VAL 415 N 1.75 1.87 -0.28 3.82 -7.23 -1.26 -0.08 120.40 118.99 2tmd s VAL 415 Ca 0.07 -1.32 0.02 0.00 -1.81 0.00 0.00 61.98 58.93 2tmd s VAL 415 Cb -0.17 -1.62 0.06 0.00 0.56 0.00 0.00 36.38 35.21 2tmd s VAL 415 CO 0.11 0.24 -0.06 -1.00 -0.31 0.00 0.00 175.10 174.07 2tmd s HIS 416 N -0.84 3.32 -0.18 2.82 3.76 0.40 -0.70 115.29 123.87 2tmd s HIS 416 Ca 0.09 -2.29 -0.07 0.00 -0.15 0.00 0.00 55.06 52.64 2tmd s HIS 416 Cb -0.09 -2.09 -0.04 0.00 1.11 0.00 0.00 32.58 31.47 2tmd s HIS 416 CO 0.02 -0.87 0.06 -1.17 -0.85 0.00 0.00 174.74 171.93 2tmd s LEU 417 N 1.12 3.78 0.07 0.89 2.96 -0.33 -0.83 118.68 126.34 2tmd s LEU 417 Ca -0.06 0.07 0.03 0.00 -0.22 0.00 0.00 54.13 53.95 2tmd s LEU 417 Cb -0.20 -1.95 -0.03 0.00 0.50 0.00 0.00 46.19 44.51 2tmd s LEU 417 CO -0.04 0.18 -0.10 0.28 -1.32 0.00 0.00 176.35 175.34 2tmd s THR 418 N 0.36 0.81 -0.01 3.68 -1.32 -0.55 -0.49 115.64 118.12 2tmd s THR 418 Ca 0.03 -1.37 -0.25 0.00 -1.21 0.00 0.00 61.69 58.88 2tmd s THR 418 Cb -0.12 -1.03 0.06 0.00 -1.51 0.00 0.00 72.50 69.89 2tmd s THR 418 CO 0.00 -0.44 0.56 -0.62 -2.21 0.00 0.00 174.62 171.91 2tmd s ASP 419 N -2.00 -0.50 0.18 8.08 -1.08 -0.93 -0.83 116.67 119.60 2tmd s ASP 419 Ca -0.02 0.43 -0.03 0.00 -0.52 0.00 0.00 52.55 52.41 2tmd s ASP 419 Cb -0.07 0.48 0.08 0.00 -1.46 0.00 0.00 42.92 41.95 2tmd s ASP 419 CO 0.00 -0.61 1.47 0.71 0.52 0.00 0.00 175.17 177.27 2tmd h THR 420 N 3.12 1.34 -4.14 1.71 1.35 -1.86 -1.11 112.91 113.31 2tmd h THR 420 Ca -0.29 -1.93 -0.54 0.00 -0.55 0.00 0.00 66.41 63.10 2tmd h THR 420 Cb 1.17 1.91 0.16 0.00 -1.73 0.00 0.00 68.15 69.65 2tmd h THR 420 CO 0.40 0.59 0.44 0.00 -0.25 0.00 0.00 175.52 176.70 2tmd s ALA 421 N -3.85 2.23 -0.86 6.62 0.00 -1.26 -3.37 121.76 121.27 2tmd s ALA 421 Ca -0.07 1.03 0.27 0.00 0.00 0.00 0.00 51.96 53.19 2tmd s ALA 421 Cb 0.11 -3.50 0.91 0.00 0.00 0.00 0.00 23.12 20.63 2tmd s ALA 421 CO 0.84 -1.74 1.76 0.39 0.00 0.00 0.00 175.76 177.01 2tmd n GLU 422 N -2.34 0.13 -4.26 0.00 1.02 -1.26 -0.70 120.64 113.22 2tmd n GLU 422 Ca 0.14 0.09 -0.18 0.00 -0.02 0.00 0.00 57.16 57.20 2tmd n GLU 422 Cb 0.49 -1.63 -0.13 0.00 -0.02 0.00 0.00 31.44 30.15 2tmd n GLU 422 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2tmd s LYS 423 N -3.06 0.75 0.47 3.49 1.02 -1.26 -4.60 119.74 116.55 2tmd s LYS 423 Ca 0.12 -0.63 -0.24 0.00 0.02 0.00 0.00 55.97 55.24 2tmd s LYS 423 Cb 0.16 -0.69 -0.07 0.00 -0.52 0.00 0.00 37.83 36.71 2tmd s LYS 423 CO 0.59 0.17 1.30 0.42 -0.92 0.00 0.00 175.35 176.91 2tmd s ILE 424 N -0.80 2.50 0.00 2.17 1.01 -1.26 -4.32 121.20 120.50 2tmd s ILE 424 Ca -0.01 0.40 0.00 0.00 0.00 0.00 0.00 60.65 61.04 2tmd s ILE 424 Cb -0.07 -3.22 0.00 0.00 0.01 0.00 0.00 42.46 39.18 2tmd s ILE 424 CO 0.01 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.58 2tmd n GLY 425 N 0.62 1.30 7.00 6.18 0.00 0.11 -4.91 105.19 115.50 2tmd n GLY 425 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2tmd n GLY 425 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2tmd n GLY 426 N 0.00 3.22 0.11 -0.02 0.00 -1.23 -1.42 105.19 105.84 2tmd n GLY 426 Ca 0.00 -0.15 0.12 0.00 0.00 0.00 0.00 46.02 45.99 2tmd n GLY 426 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2tmd n HIS 427 N 14.00 0.78 0.27 1.61 1.44 -1.26 -2.30 115.22 129.76 2tmd n HIS 427 Ca 0.00 0.28 0.15 0.00 -2.01 0.00 0.00 57.72 56.15 2tmd n HIS 427 Cb 0.00 -0.96 0.69 0.00 0.12 0.00 0.00 29.99 29.84 2tmd n HIS 427 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 2tmd h LEU 428 N 0.00 0.00 -0.95 2.39 5.85 -1.66 -1.46 115.31 119.48 2tmd h LEU 428 Ca 0.00 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.62 2tmd h LEU 428 Cb 0.45 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 2tmd h LEU 428 CO 0.00 0.07 -0.39 0.78 -0.34 0.00 0.00 178.44 178.56 2tmd h ASN 429 N 0.00 0.27 0.07 1.25 2.35 -1.55 -1.18 115.58 116.79 2tmd h ASN 429 Ca -0.00 -0.11 -0.11 0.00 -0.55 0.00 0.00 56.30 55.53 2tmd h ASN 429 Cb 0.50 -0.08 0.01 0.00 0.05 0.00 0.00 38.32 38.81 2tmd h ASN 429 CO 0.01 0.64 -0.46 1.56 -1.65 0.00 0.00 177.43 177.53 2tmd h GLN 430 N 0.22 0.19 -0.94 0.81 4.20 -1.48 -3.35 115.11 114.75 2tmd h GLN 430 Ca 0.02 -0.29 0.06 0.00 0.06 0.00 0.00 58.65 58.50 2tmd h GLN 430 Cb 0.79 0.11 -0.06 0.00 0.30 0.00 0.00 27.48 28.61 2tmd h GLN 430 CO 0.06 1.11 0.60 0.28 -0.67 0.00 0.00 178.83 180.22 2tmd h VAL 431 N -0.59 1.08 0.00 -0.54 2.07 -1.32 -1.02 116.25 115.93 2tmd h VAL 431 Ca -0.08 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.06 2tmd h VAL 431 Cb 1.33 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 2tmd h VAL 431 CO 0.09 0.20 0.00 0.00 0.02 0.00 0.00 177.57 177.88 2tmd n ALA 432 N -2.36 1.99 1.16 1.67 0.00 -0.45 -1.55 120.51 120.96 2tmd n ALA 432 Ca 0.14 -0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.62 2tmd n ALA 432 Cb 0.17 -1.31 0.23 0.00 0.00 0.00 0.00 19.45 18.54 2tmd n ALA 432 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2tmd n ALA 433 N -1.31 3.23 -1.56 0.00 0.00 -0.39 -3.23 120.51 117.25 2tmd n ALA 433 Ca 0.08 -0.51 -0.34 0.00 0.00 0.00 0.00 53.44 52.68 2tmd n ALA 433 Cb 0.16 -0.99 0.05 0.00 0.00 0.00 0.00 19.45 18.66 2tmd n ALA 433 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2tmd s LEU 434 N -2.46 3.48 0.06 0.00 1.02 -0.60 -4.90 118.68 115.29 2tmd s LEU 434 Ca 0.23 2.20 -0.30 0.00 0.02 0.00 0.00 54.13 56.27 2tmd s LEU 434 Cb 0.19 -4.58 -0.09 0.00 0.02 0.00 0.00 46.19 41.73 2tmd s LEU 434 CO 0.53 -1.72 1.86 -2.84 0.02 0.00 0.00 176.35 174.20 2tmd s PRO 435 N -3.76 4.15 0.00 1.29 0.02 -1.26 -2.15 135.00 133.29 2tmd s PRO 435 Ca 0.72 2.54 0.00 0.00 0.02 0.00 0.00 61.00 64.28 2tmd s PRO 435 Cb -0.25 -3.89 0.00 0.00 0.02 0.00 0.00 34.50 30.38 2tmd s PRO 435 CO 0.38 -0.88 0.00 0.41 -0.33 0.00 0.00 177.00 176.58 2tmd n GLY 436 N 4.34 2.58 1.90 0.52 0.00 -1.26 -4.91 105.19 108.37 2tmd n GLY 436 Ca 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.18 2tmd n GLY 436 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2tmd n LEU 437 N 0.00 5.87 -0.10 0.99 4.77 -0.91 -3.72 117.00 123.89 2tmd n LEU 437 Ca 0.00 -3.17 0.02 0.00 -0.03 0.00 0.00 56.01 52.83 2tmd n LEU 437 Cb 0.00 -0.72 0.33 0.00 -2.33 0.00 0.00 43.42 40.70 2tmd n LEU 437 CO 0.00 0.78 1.19 1.23 -1.33 0.00 0.00 177.39 179.25 2tmd h GLY 438 N 2.89 0.81 2.00 -0.72 0.00 -1.75 -0.81 103.07 105.48 2tmd h GLY 438 Ca 0.19 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.21 2tmd h GLY 438 CO 0.65 0.30 0.00 1.18 0.00 0.00 0.00 176.54 178.67 2tmd n GLU 439 N -4.44 0.03 0.16 4.80 1.02 -1.26 -2.00 120.64 118.95 2tmd n GLU 439 Ca 0.05 0.25 0.13 0.00 -0.02 0.00 0.00 57.16 57.58 2tmd n GLU 439 Cb 0.05 -1.56 0.54 0.00 -0.02 0.00 0.00 31.44 30.46 2tmd n GLU 439 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 2tmd h TRP 440 N 0.00 0.00 -1.00 -0.32 4.06 -1.36 -2.18 115.95 115.16 2tmd h TRP 440 Ca 0.00 0.00 0.19 0.00 2.06 0.00 0.00 58.89 61.14 2tmd h TRP 440 Cb 0.30 0.00 -0.10 0.00 -1.00 0.00 0.00 29.16 28.35 2tmd h TRP 440 CO 0.00 0.00 0.61 0.77 -3.56 0.00 0.00 178.44 176.26 2tmd h SER 441 N 0.00 0.73 -0.24 -3.49 0.02 -1.57 -2.23 113.55 106.77 2tmd h SER 441 Ca 0.00 0.09 0.07 0.00 -0.84 0.00 0.00 61.79 61.11 2tmd h SER 441 Cb 0.36 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 2tmd h SER 441 CO 0.00 0.26 0.37 1.88 -1.14 0.00 0.00 176.83 178.20 2tmd h TYR 442 N 0.71 0.00 -0.26 3.45 0.05 -1.62 0.24 116.97 119.53 2tmd h TYR 442 Ca 0.57 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 59.33 2tmd h TYR 442 Cb 0.96 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.69 2tmd h TYR 442 CO -0.00 0.00 0.10 1.25 -1.05 0.00 0.00 178.16 178.46 2tmd h HIS 443 N 0.00 0.40 0.00 4.88 2.76 -1.62 -1.56 115.15 120.01 2tmd h HIS 443 Ca 0.12 -0.03 -0.17 0.00 -2.20 0.00 0.00 60.37 58.08 2tmd h HIS 443 Cb 0.86 -0.12 -0.03 0.00 1.55 0.00 0.00 27.41 29.67 2tmd h HIS 443 CO 0.00 0.41 -1.22 0.07 -1.30 0.00 0.00 177.93 175.90 2tmd h ARG 444 N 0.28 0.00 -0.48 5.26 -0.00 -0.80 -3.21 114.38 115.43 2tmd h ARG 444 Ca 0.09 0.00 0.04 0.00 -0.00 0.00 0.00 59.98 60.11 2tmd h ARG 444 Cb 0.18 0.00 -0.04 0.00 -0.00 0.00 0.00 29.97 30.11 2tmd h ARG 444 CO -0.01 0.43 0.25 -0.44 -0.00 0.00 0.00 179.97 180.20 2tmd h ASP 445 N 0.00 0.37 -0.33 0.08 3.32 -1.07 -1.23 116.42 117.56 2tmd h ASP 445 Ca -0.13 0.02 0.01 0.00 0.02 0.00 0.00 57.03 56.95 2tmd h ASP 445 Cb 1.62 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 41.09 2tmd h ASP 445 CO 0.06 0.26 0.20 0.22 -1.72 0.00 0.00 179.24 178.26 2tmd h TYR 446 N 0.50 0.37 -0.07 4.55 3.20 -1.32 -1.85 116.97 122.34 2tmd h TYR 446 Ca 0.21 0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.93 2tmd h TYR 446 Cb 0.10 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 2tmd h TYR 446 CO -0.09 0.22 -0.63 0.00 -1.64 0.00 0.00 178.16 176.02 2tmd h ARG 447 N 0.40 0.27 0.55 1.82 2.47 -1.52 -1.51 114.38 116.86 2tmd h ARG 447 Ca 0.13 -0.20 -0.02 0.00 -1.26 0.00 0.00 59.98 58.63 2tmd h ARG 447 Cb -0.00 0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 28.34 2tmd h ARG 447 CO -0.06 0.81 -0.36 1.49 0.56 0.00 0.00 179.97 182.42 2tmd h GLU 448 N 0.20 -0.82 -0.69 0.04 4.81 -1.09 0.23 114.58 117.25 2tmd h GLU 448 Ca -0.01 0.06 0.15 0.00 -0.13 0.00 0.00 59.36 59.43 2tmd h GLU 448 Cb 1.15 0.19 -0.12 0.00 0.63 0.00 0.00 28.75 30.60 2tmd h GLU 448 CO 0.10 -0.55 -0.02 1.15 -0.73 0.00 0.00 179.01 178.96 2tmd h THR 449 N -0.86 0.39 -0.35 0.32 2.02 -1.36 -0.13 112.91 112.94 2tmd h THR 449 Ca -0.07 -0.03 -0.10 0.00 0.77 0.00 0.00 66.41 66.97 2tmd h THR 449 Cb 0.69 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 2tmd h THR 449 CO 0.06 0.02 -0.18 1.56 0.37 0.00 0.00 175.52 177.35 2tmd h GLN 450 N 0.09 0.74 -0.51 6.66 1.08 -1.19 -2.11 115.11 119.88 2tmd h GLN 450 Ca 0.37 -0.33 -0.11 0.00 -1.45 0.00 0.00 58.65 57.13 2tmd h GLN 450 Cb 0.62 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.01 2tmd h GLN 450 CO -0.62 0.94 -0.11 0.82 -0.95 0.00 0.00 178.83 178.91 2tmd h ILE 451 N 0.53 1.27 -0.39 2.54 2.04 0.43 0.48 117.51 124.41 2tmd h ILE 451 Ca 0.08 -1.25 -0.15 0.00 1.00 0.00 0.00 64.86 64.54 2tmd h ILE 451 Cb 0.73 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 2tmd h ILE 451 CO 0.05 0.44 -0.35 0.71 0.00 0.00 0.00 178.15 179.00 2tmd h THR 452 N 0.85 1.27 -0.69 -0.27 1.35 -1.02 -1.11 112.91 113.30 2tmd h THR 452 Ca 0.13 -1.52 -0.00 0.00 -0.55 0.00 0.00 66.41 64.47 2tmd h THR 452 Cb 0.66 1.34 -0.03 0.00 -1.73 0.00 0.00 68.15 68.39 2tmd h THR 452 CO 0.05 0.51 0.43 0.50 -0.25 0.00 0.00 175.52 176.75 2tmd h LYS 453 N 0.75 0.93 0.00 4.72 3.64 -1.09 -2.73 116.57 122.78 2tmd h LYS 453 Ca 0.07 -0.08 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 2tmd h LYS 453 Cb 0.93 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.54 2tmd h LYS 453 CO 0.09 0.65 -0.31 -0.07 -2.27 0.00 0.00 179.45 177.54 2tmd h LEU 454 N 0.94 0.00 -1.19 5.20 3.38 -0.39 -2.86 115.31 120.38 2tmd h LEU 454 Ca 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 2tmd h LEU 454 Cb -0.05 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 2tmd h LEU 454 CO -0.05 0.31 0.41 -0.07 0.09 0.00 0.00 178.44 179.13 2tmd h LEU 455 N 0.00 0.85 -0.46 1.67 3.38 -0.89 -1.66 115.31 118.19 2tmd h LEU 455 Ca -0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2tmd h LEU 455 Cb 0.80 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2tmd h LEU 455 CO 0.04 0.67 0.00 0.29 0.09 0.00 0.00 178.44 179.53 2tmd n LYS 456 N -4.38 0.08 -0.01 1.13 5.02 -1.08 -2.09 118.16 116.83 2tmd n LYS 456 Ca 0.07 0.42 0.01 0.00 -2.02 0.00 0.00 58.31 56.79 2tmd n LYS 456 Cb 0.08 -1.69 -0.12 0.00 -0.02 0.00 0.00 35.03 33.27 2tmd n LYS 456 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2tmd n LYS 457 N -1.86 0.65 -3.83 1.97 5.02 -0.63 -4.73 118.16 114.75 2tmd n LYS 457 Ca 0.02 0.04 -0.28 0.00 -2.02 0.00 0.00 58.31 56.07 2tmd n LYS 457 Cb 0.13 -1.65 -0.16 0.00 -0.02 0.00 0.00 35.03 33.33 2tmd n LYS 457 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2tmd s ASN 458 N -5.33 2.87 0.31 4.39 3.84 -0.89 -5.01 114.94 115.12 2tmd s ASN 458 Ca -0.06 -0.73 0.26 0.00 0.21 0.00 0.00 52.86 52.54 2tmd s ASN 458 Cb 0.09 -0.78 0.95 0.00 -0.55 0.00 0.00 41.25 40.96 2tmd s ASN 458 CO 0.84 -0.24 1.77 0.11 -2.79 0.00 0.00 177.10 176.79 2tmd h LYS 459 N 8.16 0.00 0.00 0.43 1.79 -1.85 -1.76 116.57 123.35 2tmd h LYS 459 Ca -0.20 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.27 2tmd h LYS 459 Cb 1.11 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.76 2tmd h LYS 459 CO 0.36 0.00 -0.16 0.39 -1.08 0.00 0.00 179.45 178.96 2tmd n GLU 460 N -2.47 0.23 -2.67 3.15 -0.58 -1.26 -4.82 120.64 112.22 2tmd n GLU 460 Ca 0.03 0.15 -0.41 0.00 -0.42 0.00 0.00 57.16 56.52 2tmd n GLU 460 Cb 0.32 -1.73 -0.05 0.00 -0.57 0.00 0.00 31.44 29.41 2tmd n GLU 460 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2tmd s SER 461 N -4.24 7.49 0.02 1.62 0.01 -0.66 -4.72 113.70 113.23 2tmd s SER 461 Ca 0.10 1.96 0.05 0.00 1.31 0.00 0.00 55.95 59.38 2tmd s SER 461 Cb 0.13 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.74 2tmd s SER 461 CO 0.62 -0.01 -0.16 -1.10 0.41 0.00 0.00 173.24 173.00 2tmd s GLN 462 N -0.70 1.12 -0.29 12.44 -0.21 0.13 -4.97 119.66 127.18 2tmd s GLN 462 Ca 0.45 -0.70 0.00 0.00 0.02 0.00 0.00 55.36 55.13 2tmd s GLN 462 Cb -0.26 -1.13 0.05 0.00 1.00 0.00 0.00 33.01 32.67 2tmd s GLN 462 CO 0.33 0.29 -0.04 -1.17 -2.12 0.00 0.00 175.29 172.58 2tmd s LEU 463 N -0.83 3.73 -0.58 2.90 2.96 -1.26 -1.19 118.68 124.42 2tmd s LEU 463 Ca 0.04 -1.32 0.00 0.00 -0.22 0.00 0.00 54.13 52.63 2tmd s LEU 463 Cb -0.07 -1.65 0.15 0.00 0.50 0.00 0.00 46.19 45.12 2tmd s LEU 463 CO 0.01 -0.23 0.36 0.00 -1.32 0.00 0.00 176.35 175.16 2tmd s ALA 464 N 1.19 3.45 0.51 5.97 0.00 0.35 -5.00 121.76 128.24 2tmd s ALA 464 Ca -0.07 -3.27 0.08 0.00 0.00 0.00 0.00 51.96 48.71 2tmd s ALA 464 Cb -0.20 -2.43 0.05 0.00 0.00 0.00 0.00 23.12 20.54 2tmd s ALA 464 CO -0.03 -2.06 0.69 -0.51 0.00 0.00 0.00 175.76 173.85 2tmd s LEU 465 N -0.17 3.36 -1.64 0.00 1.43 -1.26 -2.19 118.68 118.20 2tmd s LEU 465 Ca 0.17 -0.62 -0.01 0.00 -1.03 0.00 0.00 54.13 52.64 2tmd s LEU 465 Cb -0.23 -2.14 0.00 0.00 0.03 0.00 0.00 46.19 43.85 2tmd s LEU 465 CO -0.02 -1.08 0.09 0.61 0.23 0.00 0.00 176.35 176.18 2tmd n GLY 466 N -2.08 -0.50 3.97 -3.19 0.00 0.12 -4.90 105.19 98.60 2tmd n GLY 466 Ca 0.12 0.02 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 2tmd n GLY 466 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2tmd s GLN 467 N -5.15 1.30 0.14 1.61 2.00 -0.45 -4.95 119.66 114.17 2tmd s GLN 467 Ca 0.05 -0.80 -0.12 0.00 -2.00 0.00 0.00 55.36 52.48 2tmd s GLN 467 Cb -0.02 -2.14 -0.07 0.00 0.80 0.00 0.00 33.01 31.59 2tmd s GLN 467 CO 0.06 -1.81 0.50 0.21 -0.50 0.00 0.00 175.29 173.75 2tmd s LYS 468 N -5.44 3.88 0.24 1.67 2.20 -1.26 -4.31 119.74 116.72 2tmd s LYS 468 Ca 0.69 0.35 -0.31 0.00 -0.36 0.00 0.00 55.97 56.34 2tmd s LYS 468 Cb -0.05 -2.91 -0.12 0.00 -1.51 0.00 0.00 37.83 33.24 2tmd s LYS 468 CO 0.48 0.48 1.60 -0.35 -0.36 0.00 0.00 175.35 177.19 2tmd n PRO 469 N 0.68 2.53 -2.04 4.03 -0.04 -1.26 -4.78 135.00 134.12 2tmd n PRO 469 Ca -0.05 0.91 -0.37 0.00 -0.04 0.00 0.00 63.50 63.94 2tmd n PRO 469 Cb 0.52 -2.68 0.02 0.00 -0.04 0.00 0.00 33.50 31.31 2tmd n PRO 469 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 2tmd s MET 470 N 0.18 3.39 0.34 0.54 -1.94 -1.26 -5.05 119.30 115.50 2tmd s MET 470 Ca 0.70 1.95 0.09 0.00 -1.71 0.00 0.00 55.69 56.73 2tmd s MET 470 Cb -0.55 -2.26 -0.06 0.00 2.01 0.00 0.00 34.83 33.97 2tmd s MET 470 CO 0.43 -0.91 -0.01 0.99 -0.01 0.00 0.00 175.02 175.51 2tmd s THR 471 N -1.46 2.57 0.24 2.05 2.01 -1.26 -5.01 115.64 114.77 2tmd s THR 471 Ca 0.69 -2.02 -0.05 0.00 0.31 0.00 0.00 61.69 60.61 2tmd s THR 471 Cb -0.33 -2.76 0.20 0.00 0.01 0.00 0.00 72.50 69.62 2tmd s THR 471 CO 0.39 -0.21 1.75 0.00 -0.69 0.00 0.00 174.62 175.86 2tmd h ALA 472 N 1.86 1.03 -0.24 7.40 0.00 -1.96 -0.65 119.26 126.69 2tmd h ALA 472 Ca -0.43 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 2tmd h ALA 472 Cb 1.25 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 2tmd h ALA 472 CO 0.67 -0.15 0.00 -0.44 0.00 0.00 0.00 179.25 179.34 2tmd h ASP 473 N 0.50 0.41 -0.78 0.00 3.32 -1.98 0.15 116.42 118.05 2tmd h ASP 473 Ca 0.39 -0.30 0.17 0.00 0.02 0.00 0.00 57.03 57.31 2tmd h ASP 473 Cb 0.52 -0.11 -0.11 0.00 0.22 0.00 0.00 39.33 39.85 2tmd h ASP 473 CO -0.35 0.61 0.24 0.44 -1.72 0.00 0.00 179.24 178.46 2tmd h ASP 474 N 0.19 0.10 -0.03 6.45 5.19 -1.78 0.90 116.42 127.46 2tmd h ASP 474 Ca 0.07 0.15 -0.02 0.00 -0.62 0.00 0.00 57.03 56.61 2tmd h ASP 474 Cb 0.40 0.18 0.00 0.00 0.18 0.00 0.00 39.33 40.09 2tmd h ASP 474 CO 0.01 -0.02 -0.05 0.58 -3.12 0.00 0.00 179.24 176.65 2tmd h VAL 475 N 0.31 1.43 -0.92 -1.35 2.07 -0.65 -2.65 116.25 114.50 2tmd h VAL 475 Ca 0.45 -1.35 0.09 0.00 0.82 0.00 0.00 66.70 66.71 2tmd h VAL 475 Cb 0.78 2.28 -0.07 0.00 -1.52 0.00 0.00 31.29 32.76 2tmd h VAL 475 CO -0.51 0.36 0.57 -0.07 0.02 0.00 0.00 177.57 177.94 2tmd h LEU 476 N -0.45 0.86 -2.72 2.57 -0.00 -0.10 -2.49 115.31 112.98 2tmd h LEU 476 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.91 2tmd h LEU 476 Cb 0.61 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 41.13 2tmd h LEU 476 CO 0.01 0.51 0.00 0.00 -0.00 0.00 0.00 178.44 178.96 2tmd n GLN 477 N -4.63 3.39 0.06 1.13 3.00 0.26 -4.31 117.38 116.28 2tmd n GLN 477 Ca 0.15 -2.43 -0.14 0.00 -0.01 0.00 0.00 57.00 54.57 2tmd n GLN 477 Cb 0.25 -1.83 -0.14 0.00 0.00 0.00 0.00 30.24 28.53 2tmd n GLN 477 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.06 176.14 2tmd h TYR 478 N 3.45 0.34 0.00 1.08 5.03 -1.06 -3.49 116.97 122.31 2tmd h TYR 478 Ca 0.00 -0.25 0.00 0.00 2.58 0.00 0.00 58.73 61.06 2tmd h TYR 478 Cb 1.30 -0.01 0.00 0.00 1.55 0.00 0.00 36.73 39.57 2tmd h TYR 478 CO 0.68 1.26 0.00 0.41 -1.32 0.00 0.00 178.16 179.18 2tmd n GLY 479 N 1.57 0.77 3.80 1.82 0.00 -1.26 -5.06 105.19 106.83 2tmd n GLY 479 Ca -0.12 -0.16 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 2tmd n GLY 479 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2tmd s ALA 480 N -2.00 2.96 0.13 4.61 0.00 -1.26 -4.96 121.76 121.25 2tmd s ALA 480 Ca 0.00 0.54 -0.09 0.00 0.00 0.00 0.00 51.96 52.41 2tmd s ALA 480 Cb 0.00 -3.22 -0.06 0.00 0.00 0.00 0.00 23.12 19.84 2tmd s ALA 480 CO 0.00 -0.14 1.39 -0.44 0.00 0.00 0.00 175.76 176.57 2tmd h ASP 481 N 1.81 0.85 -4.43 0.00 3.32 -1.65 -3.42 116.42 112.89 2tmd h ASP 481 Ca -0.49 -0.50 -0.31 0.00 0.02 0.00 0.00 57.03 55.75 2tmd h ASP 481 Cb 1.21 -0.25 -0.24 0.00 0.22 0.00 0.00 39.33 40.27 2tmd h ASP 481 CO 0.60 1.28 -0.75 -0.54 -1.72 0.00 0.00 179.24 178.12 2tmd s LYS 482 N -3.90 0.53 -0.04 3.56 1.02 -1.08 -0.35 119.74 119.48 2tmd s LYS 482 Ca -0.09 -0.57 0.05 0.00 0.02 0.00 0.00 55.97 55.38 2tmd s LYS 482 Cb 0.10 -0.40 -0.01 0.00 -0.52 0.00 0.00 37.83 37.00 2tmd s LYS 482 CO 0.88 0.09 -0.20 0.08 -0.92 0.00 0.00 175.35 175.28 2tmd s VAL 483 N -0.91 1.64 -0.22 3.17 1.01 -0.56 -1.15 120.40 123.37 2tmd s VAL 483 Ca -0.05 -0.85 -0.00 0.00 0.00 0.00 0.00 61.98 61.08 2tmd s VAL 483 Cb -0.07 -1.39 0.02 0.00 0.00 0.00 0.00 36.38 34.94 2tmd s VAL 483 CO 0.00 0.46 -0.12 -0.63 0.00 0.00 0.00 175.10 174.82 2tmd s ILE 484 N -0.15 2.52 -0.39 2.22 1.01 0.11 -0.95 121.20 125.58 2tmd s ILE 484 Ca -0.01 -1.01 -0.20 0.00 0.00 0.00 0.00 60.65 59.44 2tmd s ILE 484 Cb -0.11 -2.21 0.01 0.00 0.01 0.00 0.00 42.46 40.16 2tmd s ILE 484 CO 0.02 0.33 0.59 -0.63 0.00 0.00 0.00 174.94 175.24 2tmd s ILE 485 N 1.30 4.92 -0.48 2.92 -1.09 0.63 -1.32 121.20 128.08 2tmd s ILE 485 Ca 0.02 0.27 0.08 0.00 -2.23 0.00 0.00 60.65 58.79 2tmd s ILE 485 Cb -0.15 -4.09 0.34 0.00 -1.58 0.00 0.00 42.46 36.98 2tmd s ILE 485 CO -0.08 -0.39 0.85 0.00 -1.23 0.00 0.00 174.94 174.09 2tmd n ALA 486 N 6.00 3.46 1.25 9.38 0.00 -0.14 -1.70 120.51 138.76 2tmd n ALA 486 Ca -0.03 -4.11 0.13 0.00 0.00 0.00 0.00 53.44 49.43 2tmd n ALA 486 Cb 0.48 -0.82 0.37 0.00 0.00 0.00 0.00 19.45 19.48 2tmd n ALA 486 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2tmd n THR 487 N 0.00 0.00 -2.56 0.00 -2.24 -1.24 -4.28 114.28 103.96 2tmd n THR 487 Ca 0.28 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 2tmd n THR 487 Cb 0.51 0.46 0.00 0.00 -2.10 0.00 0.00 70.33 69.21 2tmd n THR 487 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2tmd n GLY 488 N 1.33 -1.70 3.25 3.38 0.00 -1.26 -4.70 105.19 105.49 2tmd n GLY 488 Ca 0.13 -1.58 -0.10 0.00 0.00 0.00 0.00 46.02 44.47 2tmd n GLY 488 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2tmd s ALA 489 N -1.36 0.64 0.21 4.61 0.00 -1.26 0.27 121.76 124.87 2tmd s ALA 489 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 50.62 2tmd s ALA 489 Cb 0.00 1.03 -0.05 0.00 0.00 0.00 0.00 23.12 24.11 2tmd s ALA 489 CO 0.00 -0.59 0.09 1.03 0.00 0.00 0.00 175.76 176.29 2tmd s ARG 490 N -4.06 1.25 0.16 0.00 0.52 -0.52 -4.86 118.95 111.44 2tmd s ARG 490 Ca 0.27 -1.65 -0.27 0.00 -0.52 0.00 0.00 55.73 53.56 2tmd s ARG 490 Cb 0.06 -0.05 -0.08 0.00 0.52 0.00 0.00 34.95 35.40 2tmd s ARG 490 CO 0.05 -0.29 0.82 -1.58 0.02 0.00 0.00 175.30 174.32 2tmd s TRP 491 N -3.89 3.89 0.39 -0.53 0.52 -1.26 -0.79 118.94 117.26 2tmd s TRP 491 Ca 0.34 1.68 -0.26 0.00 0.02 0.00 0.00 56.10 57.88 2tmd s TRP 491 Cb 0.07 -2.84 -0.11 0.00 -1.15 0.00 0.00 33.47 29.44 2tmd s TRP 491 CO 0.10 0.44 1.25 0.09 0.02 0.00 0.00 176.95 178.85 2tmd n ASN 492 N 1.87 2.48 -0.27 2.95 3.02 0.24 -4.85 115.26 120.71 2tmd n ASN 492 Ca -0.04 1.14 0.06 0.00 -0.03 0.00 0.00 54.58 55.72 2tmd n ASN 492 Cb 0.49 -1.47 -0.01 0.00 -0.61 0.00 0.00 39.78 38.18 2tmd n ASN 492 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2tmd n THR 493 N -0.00 0.00 -0.77 3.41 -2.24 -1.26 -4.56 114.28 108.86 2tmd n THR 493 Ca 0.06 -0.36 0.06 0.00 -2.27 0.00 0.00 64.05 61.54 2tmd n THR 493 Cb 0.38 1.14 0.08 0.00 -2.10 0.00 0.00 70.33 69.83 2tmd n THR 493 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2tmd n ASP 494 N -0.26 2.01 0.00 3.42 5.75 -1.26 -1.97 116.55 124.24 2tmd n ASP 494 Ca 0.05 -2.59 0.00 0.00 -0.01 0.00 0.00 54.79 52.24 2tmd n ASP 494 Cb 0.26 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 2tmd n ASP 494 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2tmd n GLY 495 N -0.99 0.98 3.66 6.12 0.00 -1.26 -1.15 105.19 112.55 2tmd n GLY 495 Ca 0.09 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.66 2tmd n GLY 495 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2tmd n THR 496 N -2.01 1.11 -3.60 2.61 -1.04 -1.25 -4.17 114.28 105.92 2tmd n THR 496 Ca 0.00 -0.28 -0.11 0.00 -2.04 0.00 0.00 64.05 61.62 2tmd n THR 496 Cb 0.00 -1.40 -0.04 0.00 -1.82 0.00 0.00 70.33 67.07 2tmd n THR 496 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2tmd s ASN 497 N 0.16 -0.30 0.44 8.00 2.20 -1.25 -4.01 114.94 120.18 2tmd s ASN 497 Ca 0.67 -0.23 0.31 0.00 -0.94 0.00 0.00 52.86 52.67 2tmd s ASN 497 Cb -0.66 0.49 1.42 0.00 -2.00 0.00 0.00 41.25 40.50 2tmd s ASN 497 CO 0.52 -0.85 1.92 0.00 -2.94 0.00 0.00 177.10 175.74 2tmd h LEU 499 N 0.00 -0.03 0.00 0.00 4.07 -1.93 -3.38 115.31 114.03 2tmd h LEU 499 Ca 0.00 -0.70 -0.29 0.00 0.08 0.00 0.00 57.88 56.97 2tmd h LEU 499 Cb 0.28 0.01 -0.05 0.00 1.08 0.00 0.00 40.66 41.97 2tmd h LEU 499 CO 0.00 0.76 -2.09 0.35 -1.08 0.00 0.00 178.44 176.39 2tmd n THR 500 N -4.72 1.25 -1.45 0.22 -2.24 -1.22 -4.97 114.28 101.17 2tmd n THR 500 Ca -0.08 -0.79 -0.16 0.00 -2.27 0.00 0.00 64.05 60.76 2tmd n THR 500 Cb 0.36 -0.56 -0.07 0.00 -2.10 0.00 0.00 70.33 67.96 2tmd n THR 500 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2tmd n HIS 501 N -2.77 0.00 -4.26 4.78 8.25 0.76 -4.99 115.22 116.99 2tmd n HIS 501 Ca -0.24 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.06 2tmd n HIS 501 Cb 1.03 -2.89 -0.10 0.00 1.12 0.00 0.00 29.99 29.15 2tmd n HIS 501 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2tmd s ASP 502 N -2.69 1.99 0.95 0.41 1.01 -1.26 -4.82 116.67 112.26 2tmd s ASP 502 Ca 0.00 -0.93 -0.11 0.00 0.71 0.00 0.00 52.55 52.22 2tmd s ASP 502 Cb 0.00 -0.05 0.16 0.00 1.01 0.00 0.00 42.92 44.04 2tmd s ASP 502 CO 0.00 -0.23 1.09 -2.16 0.21 0.00 0.00 175.17 174.08 2tmd s PRO 503 N -3.28 0.76 -0.16 8.23 0.04 -1.26 -3.83 135.00 135.51 2tmd s PRO 503 Ca 0.14 1.01 -0.05 0.00 0.04 0.00 0.00 61.00 62.14 2tmd s PRO 503 Cb -0.01 -1.74 -0.03 0.00 0.04 0.00 0.00 34.50 32.76 2tmd s PRO 503 CO 0.03 -2.63 0.02 0.42 0.04 0.00 0.00 177.00 174.87 2tmd s ILE 504 N -2.76 4.42 -0.06 0.56 1.01 -0.30 -4.80 121.20 119.27 2tmd s ILE 504 Ca 0.65 -0.17 -0.34 0.00 0.00 0.00 0.00 60.65 60.79 2tmd s ILE 504 Cb -0.21 -2.96 -0.11 0.00 0.01 0.00 0.00 42.46 39.19 2tmd s ILE 504 CO 0.59 0.49 1.88 -2.65 0.00 0.00 0.00 174.94 175.25 2tmd n PRO 505 N 3.33 2.28 0.00 2.79 -0.02 -1.26 -1.66 135.00 140.46 2tmd n PRO 505 Ca -0.17 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 2tmd n PRO 505 Cb 0.52 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 2tmd n PRO 505 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2tmd n GLY 506 N 4.38 0.25 3.68 -1.23 0.00 -1.26 -0.61 105.19 110.41 2tmd n GLY 506 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 2tmd n GLY 506 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2tmd s ALA 507 N -2.08 3.43 -0.30 4.61 0.00 -0.66 -4.74 121.76 122.02 2tmd s ALA 507 Ca 0.00 0.34 -0.06 0.00 0.00 0.00 0.00 51.96 52.24 2tmd s ALA 507 Cb 0.00 -3.43 0.19 0.00 0.00 0.00 0.00 23.12 19.88 2tmd s ALA 507 CO 0.00 -0.63 0.81 0.34 0.00 0.00 0.00 175.76 176.27 2tmd s ASP 508 N 1.10 -0.98 0.00 0.00 -1.08 -1.23 -4.55 116.67 109.93 2tmd s ASP 508 Ca 0.47 0.52 0.14 0.00 -0.52 0.00 0.00 52.55 53.16 2tmd s ASP 508 Cb -0.18 1.79 0.82 0.00 -1.46 0.00 0.00 42.92 43.89 2tmd s ASP 508 CO 0.17 -0.18 1.36 0.00 0.52 0.00 0.00 175.17 177.04 2tmd n ALA 509 N 5.42 2.35 0.32 3.66 0.00 -0.83 -1.97 120.51 129.46 2tmd n ALA 509 Ca -0.02 -0.09 0.11 0.00 0.00 0.00 0.00 53.44 53.45 2tmd n ALA 509 Cb 0.53 -1.22 0.03 0.00 0.00 0.00 0.00 19.45 18.79 2tmd n ALA 509 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2tmd n SER 510 N -0.78 0.69 -4.74 0.00 3.41 -1.26 -4.69 113.62 106.25 2tmd n SER 510 Ca 0.10 0.12 -0.35 0.00 -0.26 0.00 0.00 58.87 58.48 2tmd n SER 510 Cb 0.05 0.59 0.07 0.00 -0.26 0.00 0.00 64.21 64.65 2tmd n SER 510 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2tmd s LEU 511 N -4.67 3.44 0.49 1.04 1.02 -0.83 -4.94 118.68 114.23 2tmd s LEU 511 Ca 0.02 2.31 0.29 0.00 0.02 0.00 0.00 54.13 56.76 2tmd s LEU 511 Cb 0.12 -4.59 1.00 0.00 0.02 0.00 0.00 46.19 42.75 2tmd s LEU 511 CO 0.79 -1.95 1.85 1.55 0.02 0.00 0.00 176.35 178.61 2tmd h PRO 512 N 0.13 0.00 -0.52 1.29 0.13 -1.90 -3.11 132.00 128.03 2tmd h PRO 512 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2tmd h PRO 512 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2tmd h PRO 512 CO 0.52 0.07 0.00 -0.40 -0.23 0.00 0.00 178.00 177.96 2tmd n ASP 513 N -3.17 4.47 -4.03 1.44 5.75 -1.26 -4.91 116.55 114.84 2tmd n ASP 513 Ca 0.01 -2.57 -0.23 0.00 -0.01 0.00 0.00 54.79 51.99 2tmd n ASP 513 Cb 0.40 -0.54 -0.16 0.00 -1.03 0.00 0.00 41.12 39.79 2tmd n ASP 513 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2tmd s GLN 514 N -2.06 1.44 0.20 0.11 -0.21 -1.18 -0.05 119.66 117.91 2tmd s GLN 514 Ca 0.46 -0.40 0.09 0.00 0.02 0.00 0.00 55.36 55.53 2tmd s GLN 514 Cb 0.32 -1.25 -0.04 0.00 1.00 0.00 0.00 33.01 33.03 2tmd s GLN 514 CO 0.19 0.09 -0.18 -0.51 -2.12 0.00 0.00 175.29 172.76 2tmd s LEU 515 N 0.40 2.50 0.41 2.90 2.01 0.41 -4.64 118.68 122.67 2tmd s LEU 515 Ca -0.09 -0.94 0.08 0.00 0.01 0.00 0.00 54.13 53.19 2tmd s LEU 515 Cb -0.13 -0.87 -0.01 0.00 0.01 0.00 0.00 46.19 45.19 2tmd s LEU 515 CO 0.02 -0.04 0.41 0.42 1.01 0.00 0.00 176.35 178.17 2tmd s THR 516 N -2.37 2.84 0.26 5.49 -4.23 -1.26 -1.27 115.64 115.09 2tmd s THR 516 Ca 0.21 -1.26 -0.02 0.00 -1.18 0.00 0.00 61.69 59.44 2tmd s THR 516 Cb -0.04 -3.02 0.24 0.00 1.34 0.00 0.00 72.50 71.02 2tmd s THR 516 CO 0.09 -0.02 1.71 -0.65 -0.54 0.00 0.00 174.62 175.21 2tmd h PRO 517 N 0.96 0.38 -0.61 3.99 0.11 -1.95 -0.11 132.00 134.76 2tmd h PRO 517 Ca -0.41 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.64 2tmd h PRO 517 Cb 1.27 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 2tmd h PRO 517 CO 0.55 0.25 0.23 0.93 -0.21 0.00 0.00 178.00 179.75 2tmd h GLU 518 N 0.39 0.92 -0.31 1.05 3.07 -1.96 0.76 114.58 118.51 2tmd h GLU 518 Ca 0.46 -0.17 -0.07 0.00 -0.50 0.00 0.00 59.36 59.07 2tmd h GLU 518 Cb 0.77 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.51 2tmd h GLU 518 CO -0.47 0.79 -0.10 1.96 -1.40 0.00 0.00 179.01 179.79 2tmd h GLN 519 N 0.85 0.52 -0.29 2.33 4.20 -1.65 0.17 115.11 121.24 2tmd h GLN 519 Ca 0.20 -0.14 -0.15 0.00 0.06 0.00 0.00 58.65 58.62 2tmd h GLN 519 Cb 0.22 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.94 2tmd h GLN 519 CO -0.01 0.62 -0.42 0.28 -0.67 0.00 0.00 178.83 178.62 2tmd h VAL 520 N 0.48 1.29 0.00 -0.54 2.07 -0.27 -3.03 116.25 116.25 2tmd h VAL 520 Ca 0.09 -1.61 -0.20 0.00 0.82 0.00 0.00 66.70 65.80 2tmd h VAL 520 Cb 0.47 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 2tmd h VAL 520 CO 0.03 0.52 -0.88 0.24 0.02 0.00 0.00 177.57 177.49 2tmd h MET 521 N 0.57 0.23 0.00 1.57 2.86 -0.27 -2.64 114.93 117.26 2tmd h MET 521 Ca 0.03 -0.25 -0.02 0.00 -2.06 0.00 0.00 59.70 57.40 2tmd h MET 521 Cb 1.02 0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.75 2tmd h MET 521 CO 0.10 0.98 -0.10 -0.44 1.06 0.00 0.00 176.91 178.51 2tmd h ASP 522 N 0.13 0.00 -0.50 1.22 3.32 -1.05 -3.47 116.42 116.07 2tmd h ASP 522 Ca -0.05 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.79 2tmd h ASP 522 Cb 1.51 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.98 2tmd h ASP 522 CO 0.14 0.10 -0.19 0.61 -1.72 0.00 0.00 179.24 178.17 2tmd n GLY 523 N -0.49 1.18 0.13 2.75 0.00 -1.00 -4.86 105.19 102.91 2tmd n GLY 523 Ca -0.01 -0.49 -0.25 0.00 0.00 0.00 0.00 46.02 45.26 2tmd n GLY 523 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2tmd n LYS 524 N -2.59 0.61 -2.11 1.61 4.76 -1.26 -4.93 118.16 114.26 2tmd n LYS 524 Ca -0.10 0.32 -0.42 0.00 -2.87 0.00 0.00 58.31 55.23 2tmd n LYS 524 Cb 0.36 -1.57 -0.03 0.00 -1.84 0.00 0.00 35.03 31.94 2tmd n LYS 524 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2tmd s LYS 525 N -2.48 4.27 0.43 1.97 2.20 -1.26 -4.96 119.74 119.91 2tmd s LYS 525 Ca -0.35 2.12 -0.24 0.00 -0.36 0.00 0.00 55.97 57.15 2tmd s LYS 525 Cb 0.11 -3.43 -0.08 0.00 -1.51 0.00 0.00 37.83 32.92 2tmd s LYS 525 CO 0.56 -0.57 1.14 -1.59 -0.36 0.00 0.00 175.35 174.52 2tmd s LYS 526 N 1.90 3.93 -0.11 4.03 -2.85 -1.26 -4.94 119.74 120.45 2tmd s LYS 526 Ca 0.67 1.72 0.02 0.00 -1.00 0.00 0.00 55.97 57.38 2tmd s LYS 526 Cb -0.36 -2.50 0.01 0.00 -2.06 0.00 0.00 37.83 32.92 2tmd s LYS 526 CO 0.29 -0.39 -0.16 0.42 0.10 0.00 0.00 175.35 175.61 2tmd s ILE 527 N -1.55 1.53 1.19 3.79 1.01 -1.26 -4.97 121.20 120.94 2tmd s ILE 527 Ca 0.61 -0.67 -0.19 0.00 0.00 0.00 0.00 60.65 60.40 2tmd s ILE 527 Cb -0.27 -1.39 0.28 0.00 0.01 0.00 0.00 42.46 41.09 2tmd s ILE 527 CO 0.34 0.45 1.13 -0.83 0.00 0.00 0.00 174.94 176.02 2tmd s GLY 528 N 0.91 1.60 0.03 6.18 0.00 -1.26 -5.00 107.32 109.79 2tmd s GLY 528 Ca -0.08 -1.00 -0.22 0.00 0.00 0.00 0.00 44.72 43.41 2tmd s GLY 528 CO -0.00 -0.11 1.41 1.70 0.00 0.00 0.00 173.10 176.09 2tmd h LYS 529 N -2.53 0.20 -5.18 2.90 3.64 -1.95 -3.41 116.57 110.24 2tmd h LYS 529 Ca -0.44 -0.08 -0.67 0.00 -1.27 0.00 0.00 60.65 58.19 2tmd h LYS 529 Cb 1.29 -0.01 -0.17 0.00 -0.41 0.00 0.00 32.23 32.93 2tmd h LYS 529 CO 0.33 0.53 0.03 1.03 -2.27 0.00 0.00 179.45 179.10 2tmd s ARG 530 N -4.69 3.20 -0.15 1.90 0.52 -1.26 -1.31 118.95 117.16 2tmd s ARG 530 Ca -0.15 -0.58 -0.05 0.00 -0.52 0.00 0.00 55.73 54.43 2tmd s ARG 530 Cb 0.05 -3.99 -0.03 0.00 0.52 0.00 0.00 34.95 31.49 2tmd s ARG 530 CO 0.71 -1.03 0.01 0.08 0.02 0.00 0.00 175.30 175.10 2tmd s VAL 531 N 2.63 4.36 -0.13 3.52 1.01 0.59 0.85 120.40 133.23 2tmd s VAL 531 Ca 0.18 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 61.97 2tmd s VAL 531 Cb -0.16 -2.92 -0.01 0.00 0.00 0.00 0.00 36.38 33.29 2tmd s VAL 531 CO 0.16 0.51 -0.14 -0.69 0.00 0.00 0.00 175.10 174.93 2tmd s VAL 532 N 0.08 2.92 -0.33 2.92 1.01 -0.75 -1.32 120.40 124.94 2tmd s VAL 532 Ca 0.02 -0.71 -0.09 0.00 0.00 0.00 0.00 61.98 61.21 2tmd s VAL 532 Cb -0.13 -2.22 0.01 0.00 0.00 0.00 0.00 36.38 34.05 2tmd s VAL 532 CO 0.02 0.53 0.14 -0.63 0.00 0.00 0.00 175.10 175.16 2tmd s ILE 533 N 0.37 4.35 -0.21 2.22 1.01 0.44 -0.47 121.20 128.92 2tmd s ILE 533 Ca -0.12 -0.69 -0.22 0.00 0.00 0.00 0.00 60.65 59.63 2tmd s ILE 533 Cb -0.16 -3.31 -0.02 0.00 0.01 0.00 0.00 42.46 38.98 2tmd s ILE 533 CO 0.06 -0.04 0.70 -0.22 0.00 0.00 0.00 174.94 175.44 2tmd s LEU 534 N 1.55 4.13 -0.08 2.97 2.96 -0.23 -1.36 118.68 128.61 2tmd s LEU 534 Ca 0.03 0.90 0.03 0.00 -0.22 0.00 0.00 54.13 54.87 2tmd s LEU 534 Cb -0.18 -2.99 0.01 0.00 0.50 0.00 0.00 46.19 43.53 2tmd s LEU 534 CO 0.05 -0.35 -0.17 0.21 -1.32 0.00 0.00 176.35 174.77 2tmd s ASN 535 N 1.26 2.33 -0.08 3.68 3.84 -0.05 -0.99 114.94 124.93 2tmd s ASN 535 Ca 0.31 -0.41 0.16 0.00 0.21 0.00 0.00 52.86 53.13 2tmd s ASN 535 Cb -0.16 -1.03 0.33 0.00 -0.55 0.00 0.00 41.25 39.84 2tmd s ASN 535 CO 0.10 0.10 1.15 0.00 -2.79 0.00 0.00 177.10 175.66 2tmd n ALA 536 N 3.63 2.67 -2.57 1.71 0.00 -0.63 -1.39 120.51 123.92 2tmd n ALA 536 Ca -0.21 -2.43 -0.25 0.00 0.00 0.00 0.00 53.44 50.55 2tmd n ALA 536 Cb 0.52 -0.53 -0.15 0.00 0.00 0.00 0.00 19.45 19.29 2tmd n ALA 536 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2tmd s ASP 537 N -2.31 2.06 -0.05 0.00 2.15 -1.25 -4.71 116.67 112.56 2tmd s ASP 537 Ca 0.29 -0.32 0.19 0.00 0.43 0.00 0.00 52.55 53.14 2tmd s ASP 537 Cb 0.30 -0.30 0.63 0.00 -0.30 0.00 0.00 42.92 43.25 2tmd s ASP 537 CO -0.08 0.20 1.53 0.35 -0.17 0.00 0.00 175.17 177.00 2tmd n THR 538 N 2.74 1.38 0.00 1.71 -2.24 -1.26 -4.54 114.28 112.08 2tmd n THR 538 Ca -0.15 -1.12 0.00 0.00 -2.27 0.00 0.00 64.05 60.51 2tmd n THR 538 Cb 0.54 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 69.09 2tmd n THR 538 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2tmd n TYR 539 N 1.20 0.00 0.24 4.78 4.19 -1.26 -0.28 117.16 126.03 2tmd n TYR 539 Ca 0.23 0.00 0.11 0.00 3.31 0.00 0.00 57.90 61.56 2tmd n TYR 539 Cb 0.71 0.00 -0.02 0.00 0.49 0.00 0.00 39.34 40.52 2tmd n TYR 539 CO 0.00 0.00 0.00 1.97 0.91 0.00 0.00 176.86 179.74 2tmd n PHE 540 N 0.00 0.54 -0.08 2.98 1.16 -1.26 -4.23 117.46 116.58 2tmd n PHE 540 Ca 0.00 0.16 -0.11 0.00 -1.87 0.00 0.00 57.45 55.62 2tmd n PHE 540 Cb 0.00 -0.70 -0.05 0.00 -1.61 0.00 0.00 39.48 37.13 2tmd n PHE 540 CO 0.00 0.00 0.00 1.98 -1.87 0.00 0.00 176.76 176.87 2tmd h MET 541 N 0.00 0.41 -0.22 3.97 4.05 -1.97 -1.53 114.93 119.65 2tmd h MET 541 Ca 0.00 -0.14 -0.11 0.00 -0.28 0.00 0.00 59.70 59.17 2tmd h MET 541 Cb 0.91 -0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 31.67 2tmd h MET 541 CO 0.00 0.61 -0.29 0.00 0.23 0.00 0.00 176.91 177.46 2tmd h ALA 542 N 0.79 0.33 -0.74 0.39 0.00 -1.89 -1.68 119.26 116.45 2tmd h ALA 542 Ca 0.06 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.52 2tmd h ALA 542 Cb 0.44 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2tmd h ALA 542 CO 0.01 0.34 0.25 -1.00 0.00 0.00 0.00 179.25 178.86 2tmd h PRO 543 N 0.27 1.14 -0.70 0.00 0.13 -1.81 -0.92 132.00 130.11 2tmd h PRO 543 Ca 0.03 -0.23 -0.06 0.00 -0.87 0.00 0.00 66.00 64.87 2tmd h PRO 543 Cb 0.86 -0.17 -0.03 0.00 0.13 0.00 0.00 31.00 31.79 2tmd h PRO 543 CO 0.07 0.95 0.21 0.77 -0.23 0.00 0.00 178.00 179.78 2tmd h SER 544 N 1.10 1.03 -0.42 1.44 0.02 -1.21 -1.48 113.55 114.03 2tmd h SER 544 Ca 0.24 -0.21 -0.07 0.00 -0.84 0.00 0.00 61.79 60.91 2tmd h SER 544 Cb 0.28 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2tmd h SER 544 CO -0.01 0.97 -0.01 -0.07 -1.14 0.00 0.00 176.83 176.57 2tmd h LEU 545 N 1.03 0.72 -0.34 5.07 4.07 -1.19 -1.16 115.31 123.52 2tmd h LEU 545 Ca 0.23 -0.31 0.05 0.00 0.08 0.00 0.00 57.88 57.93 2tmd h LEU 545 Cb 0.31 -0.19 -0.05 0.00 1.08 0.00 0.00 40.66 41.81 2tmd h LEU 545 CO -0.01 0.86 0.05 0.00 -1.08 0.00 0.00 178.44 178.26 2tmd h ALA 546 N 0.89 0.34 0.03 1.53 0.00 -1.05 0.21 119.26 121.20 2tmd h ALA 546 Ca 0.12 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 2tmd h ALA 546 Cb 0.49 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2tmd h ALA 546 CO 0.02 -0.36 -0.01 1.49 0.00 0.00 0.00 179.25 180.39 2tmd h GLU 547 N 0.16 -0.04 -0.38 0.00 4.81 -1.15 0.14 114.58 118.12 2tmd h GLU 547 Ca 0.16 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.46 2tmd h GLU 547 Cb 0.19 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.52 2tmd h GLU 547 CO -0.23 -0.00 -0.02 -0.22 -0.73 0.00 0.00 179.01 177.81 2tmd h LYS 548 N -0.06 0.08 -0.19 1.92 3.64 -0.96 -1.41 116.57 119.58 2tmd h LYS 548 Ca -0.00 -0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.22 2tmd h LYS 548 Cb 0.05 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 2tmd h LYS 548 CO 0.01 0.05 -0.53 -0.07 -2.27 0.00 0.00 179.45 176.64 2tmd h LEU 549 N 0.08 0.60 -0.55 5.20 3.38 -0.32 -2.52 115.31 121.17 2tmd h LEU 549 Ca 0.19 -0.31 -0.16 0.00 0.09 0.00 0.00 57.88 57.68 2tmd h LEU 549 Cb 0.27 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2tmd h LEU 549 CO -0.33 1.02 -0.68 0.00 0.09 0.00 0.00 178.44 178.54 2tmd h ALA 550 N 1.00 0.76 0.00 1.53 0.00 -0.54 -1.78 119.26 120.22 2tmd h ALA 550 Ca 0.01 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2tmd h ALA 550 Cb 1.06 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2tmd h ALA 550 CO 0.10 0.79 0.00 1.79 0.00 0.00 0.00 179.25 181.93 2tmd h THR 551 N 0.14 0.00 -0.01 0.00 1.35 -1.17 -2.08 112.91 111.14 2tmd h THR 551 Ca -0.02 -0.72 0.00 0.00 -0.55 0.00 0.00 66.41 65.13 2tmd h THR 551 Cb 1.22 1.69 0.00 0.00 -1.73 0.00 0.00 68.15 69.33 2tmd h THR 551 CO 0.10 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.37 2tmd n ALA 552 N -2.02 2.63 0.00 6.62 0.00 -0.96 -4.93 120.51 121.85 2tmd n ALA 552 Ca 0.03 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.14 2tmd n ALA 552 Cb 0.42 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.55 2tmd n ALA 552 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2tmd n GLY 553 N 1.09 0.86 3.89 0.00 0.00 -0.78 -5.07 105.19 105.17 2tmd n GLY 553 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 2tmd n GLY 553 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2tmd s HIS 554 N -2.00 3.52 -0.34 1.61 4.02 -0.70 -5.01 115.29 116.39 2tmd s HIS 554 Ca 0.00 1.07 -0.12 0.00 1.02 0.00 0.00 55.06 57.03 2tmd s HIS 554 Cb 0.00 -2.68 -0.00 0.00 -1.02 0.00 0.00 32.58 28.87 2tmd s HIS 554 CO 0.00 -0.69 0.21 -1.21 1.02 0.00 0.00 174.74 174.07 2tmd s GLU 555 N -5.09 3.31 -0.09 1.40 2.02 -0.42 -4.39 118.70 115.44 2tmd s GLU 555 Ca 0.54 -0.76 0.04 0.00 0.02 0.00 0.00 54.97 54.81 2tmd s GLU 555 Cb -0.11 -3.73 -0.01 0.00 0.10 0.00 0.00 34.13 30.39 2tmd s GLU 555 CO 0.50 -0.49 -0.23 0.54 0.02 0.00 0.00 175.26 175.61 2tmd s VAL 556 N 1.66 2.24 -0.12 2.63 0.11 -1.26 -0.30 120.40 125.36 2tmd s VAL 556 Ca 0.05 -0.98 0.03 0.00 -2.93 0.00 0.00 61.98 58.15 2tmd s VAL 556 Cb -0.18 -1.85 0.00 0.00 -1.53 0.00 0.00 36.38 32.83 2tmd s VAL 556 CO 0.08 0.56 -0.22 -0.89 -3.33 0.00 0.00 175.10 171.31 2tmd s THR 557 N 0.10 2.20 -0.29 5.04 2.01 -0.43 -2.01 115.64 122.27 2tmd s THR 557 Ca -0.11 -0.96 -0.11 0.00 0.31 0.00 0.00 61.69 60.83 2tmd s THR 557 Cb -0.16 -1.87 -0.04 0.00 0.01 0.00 0.00 72.50 70.44 2tmd s THR 557 CO 0.06 0.55 0.18 -0.63 -0.69 0.00 0.00 174.62 174.09 2tmd s ILE 558 N 0.50 5.16 -0.24 1.82 1.01 0.33 -0.42 121.20 129.36 2tmd s ILE 558 Ca -0.14 0.06 -0.08 0.00 0.00 0.00 0.00 60.65 60.49 2tmd s ILE 558 Cb -0.17 -3.49 -0.03 0.00 0.01 0.00 0.00 42.46 38.78 2tmd s ILE 558 CO 0.05 0.22 0.08 0.68 0.00 0.00 0.00 174.94 175.98 2tmd s VAL 559 N 1.73 4.56 -0.12 2.92 -7.23 -0.46 0.14 120.40 121.94 2tmd s VAL 559 Ca 0.07 -0.09 0.00 0.00 -1.81 0.00 0.00 61.98 60.15 2tmd s VAL 559 Cb -0.16 -3.12 0.02 0.00 0.56 0.00 0.00 36.38 33.68 2tmd s VAL 559 CO 0.10 0.35 -0.11 -0.55 -0.31 0.00 0.00 175.10 174.58 2tmd s SER 560 N 1.35 2.33 0.00 4.85 0.15 -0.61 -0.87 113.70 120.90 2tmd s SER 560 Ca 0.05 -0.38 0.26 0.00 0.70 0.00 0.00 55.95 56.59 2tmd s SER 560 Cb -0.15 -0.98 0.73 0.00 -1.71 0.00 0.00 66.02 63.92 2tmd s SER 560 CO 0.04 -0.07 1.57 0.61 1.20 0.00 0.00 173.24 176.60 2tmd n GLY 561 N 4.69 -1.33 3.54 9.45 0.00 -0.49 -1.95 105.19 119.11 2tmd n GLY 561 Ca -0.16 -0.27 -0.25 0.00 0.00 0.00 0.00 46.02 45.34 2tmd n GLY 561 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2tmd s VAL 562 N -3.00 1.65 -0.32 1.61 -7.23 -1.26 -4.80 120.40 107.05 2tmd s VAL 562 Ca 0.12 -2.01 -0.29 0.00 -1.81 0.00 0.00 61.98 58.00 2tmd s VAL 562 Cb 0.18 -2.90 -0.01 0.00 0.56 0.00 0.00 36.38 34.21 2tmd s VAL 562 CO 0.65 -0.01 1.63 -1.00 -0.31 0.00 0.00 175.10 176.06 2tmd s HIS 563 N -2.96 2.07 0.16 2.82 0.09 -1.26 -4.73 115.29 111.47 2tmd s HIS 563 Ca 0.36 0.62 -0.34 0.00 -0.00 0.00 0.00 55.06 55.70 2tmd s HIS 563 Cb 0.09 -4.14 -0.14 0.00 -0.00 0.00 0.00 32.58 28.39 2tmd s HIS 563 CO 0.17 -2.64 1.57 -0.11 -0.00 0.00 0.00 174.74 173.73 2tmd n LEU 564 N 9.33 3.04 -2.18 0.89 7.94 -1.26 -2.32 117.00 132.44 2tmd n LEU 564 Ca 0.20 1.08 -0.19 0.00 -1.11 0.00 0.00 56.01 55.99 2tmd n LEU 564 Cb 0.47 -1.42 -0.03 0.00 0.53 0.00 0.00 43.42 42.97 2tmd n LEU 564 CO 0.68 -0.31 -0.23 0.00 -1.11 0.00 0.00 177.39 176.41 2tmd n ALA 565 N 3.40 -0.55 -0.27 1.96 0.00 -1.25 -4.86 120.51 118.94 2tmd n ALA 565 Ca 0.17 0.20 0.02 0.00 0.00 0.00 0.00 53.44 53.83 2tmd n ALA 565 Cb 0.28 -2.04 0.15 0.00 0.00 0.00 0.00 19.45 17.84 2tmd n ALA 565 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 2tmd h ASN 566 N 0.00 0.60 0.75 0.00 -1.24 -0.82 0.14 115.58 115.01 2tmd h ASN 566 Ca -0.44 0.05 0.00 0.00 0.71 0.00 0.00 56.30 56.61 2tmd h ASN 566 Cb 1.32 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 40.31 2tmd h ASN 566 CO 0.56 0.35 0.00 0.22 -1.29 0.00 0.00 177.43 177.26 2tmd h TYR 567 N 0.73 0.00 0.00 0.67 3.20 -0.95 -1.38 116.97 119.24 2tmd h TYR 567 Ca 0.37 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.24 2tmd h TYR 567 Cb 0.35 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.62 2tmd h TYR 567 CO -0.08 0.00 0.00 -1.33 -1.64 0.00 0.00 178.16 175.11 2tmd n MET 568 N -2.55 0.01 -0.11 1.82 2.81 0.49 -1.71 117.12 117.89 2tmd n MET 568 Ca 0.01 0.04 -0.08 0.00 -1.81 0.00 0.00 57.70 55.86 2tmd n MET 568 Cb 0.23 -1.52 -0.00 0.00 -0.71 0.00 0.00 33.22 31.23 2tmd n MET 568 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2tmd h HIS 569 N 0.00 0.44 0.00 2.03 3.86 -1.27 -0.09 115.15 120.11 2tmd h HIS 569 Ca 0.00 0.01 -0.16 0.00 -1.16 0.00 0.00 60.37 59.07 2tmd h HIS 569 Cb 0.48 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.78 2tmd h HIS 569 CO 0.00 0.27 -0.74 0.74 0.86 0.00 0.00 177.93 179.06 2tmd h PHE 570 N 0.48 0.00 -0.00 2.45 0.04 -1.49 -2.84 116.94 115.57 2tmd h PHE 570 Ca 0.14 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.91 2tmd h PHE 570 Cb -0.03 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.12 2tmd h PHE 570 CO -0.06 0.74 -0.18 0.25 -0.60 0.00 0.00 178.31 178.46 2tmd n THR 571 N -3.55 0.00 -1.04 -1.55 -2.24 -1.14 -2.78 114.28 101.98 2tmd n THR 571 Ca -0.00 -0.08 -0.01 0.00 -2.27 0.00 0.00 64.05 61.69 2tmd n THR 571 Cb 0.75 0.08 -0.01 0.00 -2.10 0.00 0.00 70.33 69.05 2tmd n THR 571 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2tmd n LEU 572 N -0.91 0.01 0.10 3.22 4.77 -1.04 -4.78 117.00 118.37 2tmd n LEU 572 Ca 0.13 0.04 0.12 0.00 -0.03 0.00 0.00 56.01 56.26 2tmd n LEU 572 Cb 0.31 -0.90 0.04 0.00 -2.33 0.00 0.00 43.42 40.54 2tmd n LEU 572 CO 0.25 -0.19 0.13 -0.33 -1.33 0.00 0.00 177.39 175.92 2tmd h GLU 573 N 0.51 0.00 -0.36 3.23 5.08 -1.54 -3.41 114.58 118.09 2tmd h GLU 573 Ca -0.03 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.40 2tmd h GLU 573 Cb 0.21 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.39 2tmd h GLU 573 CO 0.04 0.00 -0.14 -0.92 -1.00 0.00 0.00 179.01 177.00 2tmd h TYR 574 N 0.00 -0.32 0.03 4.33 3.20 -1.37 -1.38 116.97 121.46 2tmd h TYR 574 Ca 0.00 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 2tmd h TYR 574 Cb 0.94 0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.41 2tmd h TYR 574 CO 0.00 -0.21 -0.01 -1.35 -1.64 0.00 0.00 178.16 174.94 2tmd h PRO 575 N -0.07 -0.04 -0.23 1.82 0.11 -1.86 -0.36 132.00 131.37 2tmd h PRO 575 Ca 0.18 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.20 2tmd h PRO 575 Cb 0.34 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.44 2tmd h PRO 575 CO -0.40 0.03 -0.23 -0.91 -0.21 0.00 0.00 178.00 176.27 2tmd h ASN 576 N -0.10 0.43 -0.24 -2.05 2.35 -1.85 -1.83 115.58 112.29 2tmd h ASN 576 Ca -0.00 -0.14 0.02 0.00 -0.55 0.00 0.00 56.30 55.63 2tmd h ASN 576 Cb 0.08 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 2tmd h ASN 576 CO 0.01 0.67 0.10 -0.03 -1.65 0.00 0.00 177.43 176.52 2tmd h MET 577 N 0.39 0.22 -0.51 0.81 4.05 -0.85 0.17 114.93 119.21 2tmd h MET 577 Ca 0.06 -0.01 -0.07 0.00 -0.28 0.00 0.00 59.70 59.40 2tmd h MET 577 Cb 0.62 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.35 2tmd h MET 577 CO 0.04 0.15 0.03 0.52 0.23 0.00 0.00 176.91 177.88 2tmd h MET 578 N 0.23 0.84 -0.64 0.39 2.86 -0.82 0.26 114.93 118.05 2tmd h MET 578 Ca 0.10 -0.22 -0.07 0.00 -2.06 0.00 0.00 59.70 57.45 2tmd h MET 578 Cb 0.05 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.58 2tmd h MET 578 CO -0.09 0.82 0.12 0.00 1.06 0.00 0.00 176.91 178.83 2tmd h ARG 579 N 0.79 1.03 -0.23 1.72 3.08 -0.97 -0.43 114.38 119.38 2tmd h ARG 579 Ca 0.16 -0.25 -0.04 0.00 0.07 0.00 0.00 59.98 59.91 2tmd h ARG 579 Cb 0.43 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 2tmd h ARG 579 CO 0.02 0.94 -0.01 -0.09 -1.07 0.00 0.00 179.97 179.76 2tmd h ARG 580 N 0.98 0.40 -0.17 0.04 9.65 0.06 -0.15 114.38 125.19 2tmd h ARG 580 Ca 0.20 -0.13 -0.06 0.00 -1.10 0.00 0.00 59.98 58.89 2tmd h ARG 580 Cb 0.39 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.93 2tmd h ARG 580 CO 0.01 0.60 -0.15 -0.07 2.80 0.00 0.00 179.97 183.16 2tmd h LEU 581 N 0.16 0.26 -0.21 3.80 3.38 -0.85 -2.28 115.31 119.58 2tmd h LEU 581 Ca 0.06 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 2tmd h LEU 581 Cb 0.42 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2tmd h LEU 581 CO 0.01 0.44 -0.06 -0.74 0.09 0.00 0.00 178.44 178.18 2tmd h HIS 582 N 0.26 0.46 0.00 1.13 2.76 -0.41 -1.41 115.15 117.93 2tmd h HIS 582 Ca 0.05 -0.10 0.00 0.00 -2.20 0.00 0.00 60.37 58.12 2tmd h HIS 582 Cb 0.42 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.27 2tmd h HIS 582 CO 0.01 0.66 0.00 -0.85 -1.30 0.00 0.00 177.93 176.45 2tmd n GLU 583 N -4.60 0.22 -0.04 5.26 0.28 -0.13 -1.56 120.64 120.07 2tmd n GLU 583 Ca -0.05 0.39 0.13 0.00 -0.16 0.00 0.00 57.16 57.46 2tmd n GLU 583 Cb 0.29 -1.88 0.35 0.00 1.43 0.00 0.00 31.44 31.63 2tmd n GLU 583 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2tmd n LEU 584 N -2.29 2.15 -3.04 -1.84 4.77 -0.88 -4.95 117.00 110.93 2tmd n LEU 584 Ca 0.03 -0.78 -0.19 0.00 -0.03 0.00 0.00 56.01 55.03 2tmd n LEU 584 Cb 0.28 -0.05 0.07 0.00 -2.33 0.00 0.00 43.42 41.39 2tmd n LEU 584 CO 0.22 0.39 0.20 1.41 -1.33 0.00 0.00 177.39 178.29 2tmd n HIS 585 N 0.67 -2.35 -3.02 -1.77 8.25 -0.60 -4.94 115.22 111.44 2tmd n HIS 585 Ca 0.17 0.83 -0.41 0.00 -0.26 0.00 0.00 57.72 58.06 2tmd n HIS 585 Cb 0.44 -4.33 -0.05 0.00 1.12 0.00 0.00 29.99 27.17 2tmd n HIS 585 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2tmd s VAL 586 N -3.26 4.95 0.10 1.59 1.01 -0.61 -4.72 120.40 119.47 2tmd s VAL 586 Ca 0.46 1.36 -0.27 0.00 0.00 0.00 0.00 61.98 63.53 2tmd s VAL 586 Cb -0.20 -4.02 -0.06 0.00 0.00 0.00 0.00 36.38 32.09 2tmd s VAL 586 CO 0.60 0.06 0.83 -0.70 0.00 0.00 0.00 175.10 175.88 2tmd s GLU 587 N 2.14 4.59 -0.10 2.72 -6.30 -0.85 -4.75 118.70 116.15 2tmd s GLU 587 Ca 0.32 1.21 0.04 0.00 -2.50 0.00 0.00 54.97 54.04 2tmd s GLU 587 Cb -0.16 -3.34 0.00 0.00 0.00 0.00 0.00 34.13 30.64 2tmd s GLU 587 CO 0.10 0.35 -0.22 -1.21 0.02 0.00 0.00 175.26 174.30 2tmd s GLU 588 N -0.39 2.89 -0.65 4.30 2.02 -1.26 -0.51 118.70 125.10 2tmd s GLU 588 Ca 0.40 -0.82 0.03 0.00 0.02 0.00 0.00 54.97 54.59 2tmd s GLU 588 Cb -0.22 -2.22 0.16 0.00 0.10 0.00 0.00 34.13 31.95 2tmd s GLU 588 CO 0.26 0.13 0.44 -1.17 0.02 0.00 0.00 175.26 174.94 2tmd s LEU 589 N 0.45 4.80 0.72 1.80 2.96 0.12 -4.94 118.68 124.58 2tmd s LEU 589 Ca -0.17 -3.39 -0.11 0.00 -0.22 0.00 0.00 54.13 50.24 2tmd s LEU 589 Cb -0.17 -1.71 0.02 0.00 0.50 0.00 0.00 46.19 44.83 2tmd s LEU 589 CO 0.07 -0.19 1.07 -0.83 -1.32 0.00 0.00 176.35 175.15 2tmd s GLY 590 N -0.56 1.65 -1.46 7.98 0.00 -1.26 -1.57 107.32 112.09 2tmd s GLY 590 Ca 0.21 -0.09 -0.04 0.00 0.00 0.00 0.00 44.72 44.80 2tmd s GLY 590 CO -0.08 0.25 0.52 1.22 0.00 0.00 0.00 173.10 175.02 2tmd n ASP 591 N -3.15 -5.81 -4.08 1.64 8.00 -0.82 -4.85 116.55 107.48 2tmd n ASP 591 Ca 0.07 -0.25 -0.14 0.00 0.71 0.00 0.00 54.79 55.19 2tmd n ASP 591 Cb 0.55 -4.64 -0.11 0.00 -0.02 0.00 0.00 41.12 36.89 2tmd n ASP 591 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 2tmd s HIS 592 N -3.12 0.76 0.15 1.24 3.76 -1.05 -1.54 115.29 115.48 2tmd s HIS 592 Ca 0.26 -0.52 0.03 0.00 -0.15 0.00 0.00 55.06 54.68 2tmd s HIS 592 Cb -0.11 -0.45 -0.01 0.00 1.11 0.00 0.00 32.58 33.11 2tmd s HIS 592 CO 0.32 -0.07 0.13 0.34 -0.85 0.00 0.00 174.74 174.62 2tmd n PHE 593 N 1.33 -0.40 -5.16 1.40 7.35 -0.46 -2.10 117.46 119.42 2tmd n PHE 593 Ca -0.22 -1.25 -0.32 0.00 -0.76 0.00 0.00 57.45 54.91 2tmd n PHE 593 Cb 0.55 0.14 -0.16 0.00 0.35 0.00 0.00 39.48 40.36 2tmd n PHE 593 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2tmd n SER 595 N 3.18 0.83 -3.55 0.00 3.41 -0.32 -4.98 113.62 112.19 2tmd n SER 595 Ca -0.18 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.32 2tmd n SER 595 Cb 0.52 1.35 -0.04 0.00 -0.26 0.00 0.00 64.21 65.78 2tmd n SER 595 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2tmd s ARG 596 N -2.82 0.72 -0.02 4.33 1.70 -1.23 -4.31 118.95 117.33 2tmd s ARG 596 Ca -0.08 0.02 0.06 0.00 -0.47 0.00 0.00 55.73 55.26 2tmd s ARG 596 Cb 0.08 0.34 -0.01 0.00 -0.57 0.00 0.00 34.95 34.79 2tmd s ARG 596 CO 0.72 -0.26 -0.21 0.42 -1.08 0.00 0.00 175.30 174.89 2tmd s ILE 597 N -1.77 1.70 0.38 4.99 1.01 0.22 -0.35 121.20 127.38 2tmd s ILE 597 Ca -0.01 -0.91 0.04 0.00 0.00 0.00 0.00 60.65 59.77 2tmd s ILE 597 Cb -0.01 -1.42 -0.05 0.00 0.01 0.00 0.00 42.46 40.99 2tmd s ILE 597 CO -0.01 0.48 0.07 -1.61 0.00 0.00 0.00 174.94 173.87 2tmd s GLU 598 N -0.42 1.82 -0.00 2.79 2.02 0.90 -4.25 118.70 121.55 2tmd s GLU 598 Ca 0.06 -2.06 -0.30 0.00 0.02 0.00 0.00 54.97 52.69 2tmd s GLU 598 Cb -0.09 -0.93 -0.07 0.00 0.10 0.00 0.00 34.13 33.14 2tmd s GLU 598 CO -0.00 -0.28 1.76 -2.14 0.02 0.00 0.00 175.26 174.62 2tmd s PRO 599 N -3.82 4.17 0.00 0.39 0.02 -1.26 -2.73 135.00 131.76 2tmd s PRO 599 Ca 0.29 2.36 0.00 0.00 0.02 0.00 0.00 61.00 63.67 2tmd s PRO 599 Cb 0.06 -3.98 0.00 0.00 0.02 0.00 0.00 34.50 30.60 2tmd s PRO 599 CO 0.14 -0.87 0.00 0.41 -0.33 0.00 0.00 177.00 176.35 2tmd n GLY 600 N 4.25 0.92 3.50 0.52 0.00 -1.26 -4.96 105.19 108.16 2tmd n GLY 600 Ca 0.18 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.04 2tmd n GLY 600 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2tmd s ARG 601 N -0.07 1.07 0.02 1.61 1.70 -1.11 -1.35 118.95 120.83 2tmd s ARG 601 Ca 0.00 0.08 -0.01 0.00 -0.47 0.00 0.00 55.73 55.32 2tmd s ARG 601 Cb 0.00 0.50 -0.02 0.00 -0.57 0.00 0.00 34.95 34.87 2tmd s ARG 601 CO 0.00 -0.37 0.00 0.00 -1.08 0.00 0.00 175.30 173.85 2tmd s MET 602 N -1.80 0.33 -0.23 3.89 0.23 0.05 -0.07 119.30 121.69 2tmd s MET 602 Ca -0.07 -0.54 -0.13 0.00 -1.03 0.00 0.00 55.69 53.92 2tmd s MET 602 Cb -0.00 0.12 -0.04 0.00 -1.53 0.00 0.00 34.83 33.37 2tmd s MET 602 CO 0.04 -0.06 0.28 -2.00 -2.03 0.00 0.00 175.02 171.25 2tmd s GLU 603 N -1.37 4.10 0.29 3.16 2.12 0.52 -0.88 118.70 126.63 2tmd s GLU 603 Ca -0.15 -0.06 0.10 0.00 0.36 0.00 0.00 54.97 55.22 2tmd s GLU 603 Cb -0.09 -3.56 -0.05 0.00 0.26 0.00 0.00 34.13 30.69 2tmd s GLU 603 CO -0.00 -0.03 -0.02 0.96 -0.54 0.00 0.00 175.26 175.62 2tmd s ILE 604 N 1.31 3.07 0.04 -3.70 -4.36 -0.13 -1.18 121.20 116.26 2tmd s ILE 604 Ca 0.13 -1.99 -0.11 0.00 -0.26 0.00 0.00 60.65 58.41 2tmd s ILE 604 Cb -0.14 -2.75 0.01 0.00 1.25 0.00 0.00 42.46 40.82 2tmd s ILE 604 CO 0.07 -0.32 0.23 -0.72 0.24 0.00 0.00 174.94 174.44 2tmd s TYR 605 N -2.41 -0.00 0.12 1.37 1.13 -0.09 -1.74 117.35 115.73 2tmd s TYR 605 Ca 0.32 -0.18 -0.30 0.00 -1.41 0.00 0.00 57.07 55.50 2tmd s TYR 605 Cb -0.04 0.02 -0.06 0.00 -1.10 0.00 0.00 41.96 40.77 2tmd s TYR 605 CO 0.19 -0.46 1.09 1.21 -2.51 0.00 0.00 175.55 175.07 2tmd s ASN 606 N -2.07 7.27 0.05 -0.18 3.84 -1.26 -1.36 114.94 121.23 2tmd s ASN 606 Ca -0.05 1.98 0.21 0.00 0.21 0.00 0.00 52.86 55.21 2tmd s ASN 606 Cb -0.01 -2.59 0.87 0.00 -0.55 0.00 0.00 41.25 38.97 2tmd s ASN 606 CO -0.04 -0.26 1.66 2.30 -2.79 0.00 0.00 177.10 177.98 2tmd n ILE 607 N 2.97 0.64 -1.46 -5.21 -5.35 -0.59 -2.34 119.36 108.01 2tmd n ILE 607 Ca 0.04 0.13 -0.20 0.00 -0.27 0.00 0.00 62.75 62.45 2tmd n ILE 607 Cb 0.47 -0.83 0.14 0.00 -1.74 0.00 0.00 39.64 37.67 2tmd n ILE 607 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 2tmd n TRP 608 N -1.65 2.38 0.69 4.28 5.03 -1.26 -4.65 117.44 122.25 2tmd n TRP 608 Ca 0.05 -2.13 0.12 0.00 3.03 0.00 0.00 57.50 58.56 2tmd n TRP 608 Cb 0.25 -0.83 0.17 0.00 -1.03 0.00 0.00 31.31 29.88 2tmd n TRP 608 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 2tmd n GLY 609 N -1.02 -1.34 3.81 6.99 0.00 -0.99 -4.90 105.19 107.74 2tmd n GLY 609 Ca 0.49 -0.30 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 2tmd n GLY 609 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2tmd s ASP 610 N -3.85 5.09 0.41 1.61 1.01 -1.26 -3.95 116.67 115.74 2tmd s ASP 610 Ca 0.07 1.64 -0.26 0.00 0.71 0.00 0.00 52.55 54.71 2tmd s ASP 610 Cb 0.15 -2.47 -0.10 0.00 1.01 0.00 0.00 42.92 41.51 2tmd s ASP 610 CO 0.73 -1.63 1.34 0.61 0.21 0.00 0.00 175.17 176.42 2tmd n GLY 611 N -1.80 0.75 0.22 0.21 0.00 -0.01 -4.90 105.19 99.66 2tmd n GLY 611 Ca 0.08 0.23 0.11 0.00 0.00 0.00 0.00 46.02 46.44 2tmd n GLY 611 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2tmd h SER 612 N 2.32 0.00 -3.31 1.61 4.64 -1.94 -3.41 113.55 113.46 2tmd h SER 612 Ca -0.49 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.25 2tmd h SER 612 Cb 1.28 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.28 2tmd h SER 612 CO 0.61 0.14 -0.22 -0.54 -0.87 0.00 0.00 176.83 175.95 2tmd s LYS 613 N -3.39 4.30 -0.25 4.77 1.02 -1.26 -5.07 119.74 119.86 2tmd s LYS 613 Ca 0.03 0.30 -0.11 0.00 0.02 0.00 0.00 55.97 56.21 2tmd s LYS 613 Cb 0.08 -3.43 -0.05 0.00 -0.52 0.00 0.00 37.83 33.91 2tmd s LYS 613 CO 0.64 0.20 0.18 0.50 -0.92 0.00 0.00 175.35 175.95 2tmd s ARG 614 N 0.53 4.04 -0.02 1.68 3.00 -1.26 -4.33 118.95 122.59 2tmd s ARG 614 Ca 0.22 -0.26 0.02 0.00 -1.00 0.00 0.00 55.73 54.71 2tmd s ARG 614 Cb -0.14 -3.58 -0.00 0.00 0.00 0.00 0.00 34.95 31.23 2tmd s ARG 614 CO 0.07 -0.03 -0.08 0.99 0.00 0.00 0.00 175.30 176.26 2tmd s THR 615 N 1.31 0.70 -0.45 4.11 2.01 0.75 -5.02 115.64 119.04 2tmd s THR 615 Ca 0.08 -0.34 -0.29 0.00 0.31 0.00 0.00 61.69 61.45 2tmd s THR 615 Cb -0.14 -0.61 0.01 0.00 0.01 0.00 0.00 72.50 71.77 2tmd s THR 615 CO 0.07 0.21 1.39 -0.47 -0.69 0.00 0.00 174.62 175.13 2tmd s TYR 616 N 0.04 2.41 -0.47 4.92 5.04 -1.26 -4.33 117.35 123.70 2tmd s TYR 616 Ca -0.00 0.63 0.13 0.00 -2.44 0.00 0.00 57.07 55.39 2tmd s TYR 616 Cb -0.06 -4.35 0.39 0.00 0.35 0.00 0.00 41.96 38.29 2tmd s TYR 616 CO 0.00 -1.91 1.31 0.54 -1.34 0.00 0.00 175.55 174.15 2tmd n ARG 617 N 8.20 2.81 0.00 4.97 5.12 -1.26 -5.10 116.66 131.40 2tmd n ARG 617 Ca 0.15 -2.41 0.00 0.00 -1.93 0.00 0.00 57.85 53.66 2tmd n ARG 617 Cb 0.48 -1.53 0.00 0.00 -1.16 0.00 0.00 32.46 30.25 2tmd n ARG 617 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2tmd n GLY 618 N -0.14 -0.77 3.78 -0.13 0.00 -1.26 -4.78 105.19 101.88 2tmd n GLY 618 Ca 0.16 -1.70 -0.34 0.00 0.00 0.00 0.00 46.02 44.14 2tmd n GLY 618 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2tmd s PRO 619 N -1.52 3.32 0.00 1.61 0.04 -1.26 -3.64 135.00 133.55 2tmd s PRO 619 Ca 0.00 1.41 0.00 0.00 0.04 0.00 0.00 61.00 62.45 2tmd s PRO 619 Cb 0.00 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.52 2tmd s PRO 619 CO 0.00 -0.84 0.00 0.41 0.04 0.00 0.00 177.00 176.61 2tmd n GLY 620 N -0.35 1.84 2.93 0.56 0.00 -1.26 -5.02 105.19 103.89 2tmd n GLY 620 Ca 0.10 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.96 2tmd n GLY 620 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2tmd s VAL 621 N -2.34 0.39 0.54 1.61 0.11 -1.24 -5.13 120.40 114.34 2tmd s VAL 621 Ca 0.00 -0.17 -0.22 0.00 -2.93 0.00 0.00 61.98 58.66 2tmd s VAL 621 Cb 0.00 -0.36 -0.05 0.00 -1.53 0.00 0.00 36.38 34.43 2tmd s VAL 621 CO 0.00 0.13 1.36 -0.55 -3.33 0.00 0.00 175.10 172.71 2tmd s SER 622 N 0.16 5.33 0.00 3.54 0.15 -1.26 -4.74 113.70 116.88 2tmd s SER 622 Ca -0.01 2.77 0.06 0.00 0.70 0.00 0.00 55.95 59.46 2tmd s SER 622 Cb -0.05 -2.64 0.27 0.00 -1.71 0.00 0.00 66.02 61.89 2tmd s SER 622 CO -0.00 -1.53 1.18 -0.81 1.20 0.00 0.00 173.24 173.28 2tmd n PRO 623 N -0.95 1.18 -4.13 5.44 -0.04 -1.26 -4.78 135.00 130.46 2tmd n PRO 623 Ca 0.10 -0.28 -0.13 0.00 -0.04 0.00 0.00 63.50 63.14 2tmd n PRO 623 Cb 0.45 -1.11 -0.11 0.00 -0.04 0.00 0.00 33.50 32.68 2tmd n PRO 623 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2tmd s ARG 624 N -1.90 0.71 0.81 0.54 0.52 -1.26 -0.18 118.95 118.18 2tmd s ARG 624 Ca 0.10 -1.00 -0.13 0.00 -0.52 0.00 0.00 55.73 54.18 2tmd s ARG 624 Cb 0.05 -0.40 0.08 0.00 0.52 0.00 0.00 34.95 35.21 2tmd s ARG 624 CO 0.08 0.06 1.20 -0.51 0.02 0.00 0.00 175.30 176.15 2tmd s ASP 625 N -2.13 3.59 0.43 0.23 1.01 -1.26 -4.74 116.67 113.81 2tmd s ASP 625 Ca -0.01 2.36 -0.24 0.00 0.71 0.00 0.00 52.55 55.37 2tmd s ASP 625 Cb -0.05 -2.59 -0.08 0.00 1.01 0.00 0.00 42.92 41.21 2tmd s ASP 625 CO -0.01 -2.67 1.15 0.00 0.21 0.00 0.00 175.17 173.86 2tmd s ALA 626 N -2.16 3.06 0.03 5.23 0.00 -1.26 -0.83 121.76 125.82 2tmd s ALA 626 Ca 0.73 0.91 -0.30 0.00 0.00 0.00 0.00 51.96 53.29 2tmd s ALA 626 Cb -0.28 -3.36 -0.07 0.00 0.00 0.00 0.00 23.12 19.41 2tmd s ALA 626 CO 0.51 -0.54 1.51 1.21 0.00 0.00 0.00 175.76 178.45 2tmd s ASN 627 N -1.31 6.74 -0.04 0.00 3.84 -1.26 -4.52 114.94 118.39 2tmd s ASN 627 Ca 0.60 2.27 0.06 0.00 0.21 0.00 0.00 52.86 56.00 2tmd s ASN 627 Cb -0.28 -2.56 0.09 0.00 -0.55 0.00 0.00 41.25 37.95 2tmd s ASN 627 CO 0.35 -0.79 1.01 0.41 -2.79 0.00 0.00 177.10 175.29 2tmd n THR 628 N 4.70 1.16 1.04 -5.21 -1.04 -1.25 -4.75 114.28 108.93 2tmd n THR 628 Ca 0.14 -1.28 0.09 0.00 -2.04 0.00 0.00 64.05 60.96 2tmd n THR 628 Cb 0.42 0.30 0.30 0.00 -1.82 0.00 0.00 70.33 69.54 2tmd n THR 628 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2tmd n SER 629 N -0.74 1.87 -4.77 8.00 3.41 -1.26 -4.95 113.62 115.18 2tmd n SER 629 Ca 0.05 -1.82 -0.41 0.00 -0.26 0.00 0.00 58.87 56.44 2tmd n SER 629 Cb 0.41 -0.16 -0.01 0.00 -0.26 0.00 0.00 64.21 64.19 2tmd n SER 629 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2tmd s HIS 630 N -1.68 2.89 -0.00 7.33 3.76 -1.26 -4.50 115.29 121.82 2tmd s HIS 630 Ca 0.30 1.34 -0.20 0.00 -0.15 0.00 0.00 55.06 56.35 2tmd s HIS 630 Cb 0.16 -3.79 0.04 0.00 1.11 0.00 0.00 32.58 30.11 2tmd s HIS 630 CO 0.24 -2.23 0.44 -0.98 -0.85 0.00 0.00 174.74 171.36 2tmd s ARG 631 N -1.92 0.85 0.05 1.40 1.70 -0.71 -4.98 118.95 115.34 2tmd s ARG 631 Ca 0.51 -0.13 -0.15 0.00 -0.47 0.00 0.00 55.73 55.49 2tmd s ARG 631 Cb -0.42 0.39 -0.06 0.00 -0.57 0.00 0.00 34.95 34.29 2tmd s ARG 631 CO 0.56 -0.26 0.47 -1.58 -1.08 0.00 0.00 175.30 173.41 2tmd s TRP 632 N -1.65 3.72 0.13 5.89 0.52 -1.26 -0.95 118.94 125.34 2tmd s TRP 632 Ca -0.10 1.06 0.08 0.00 0.02 0.00 0.00 56.10 57.16 2tmd s TRP 632 Cb -0.02 -2.34 -0.04 0.00 -1.15 0.00 0.00 33.47 29.91 2tmd s TRP 632 CO 0.04 0.58 -0.19 0.96 0.02 0.00 0.00 176.95 178.36 2tmd s ILE 633 N -1.18 1.73 0.22 2.03 -4.36 -0.06 -4.96 121.20 114.62 2tmd s ILE 633 Ca 0.28 -1.73 0.01 0.00 -0.26 0.00 0.00 60.65 58.95 2tmd s ILE 633 Cb -0.17 -1.69 -0.04 0.00 1.25 0.00 0.00 42.46 41.82 2tmd s ILE 633 CO 0.16 -0.21 0.39 -1.61 0.24 0.00 0.00 174.94 173.91 2tmd s GLU 634 N -2.39 3.49 0.05 0.37 2.02 -1.26 -0.77 118.70 120.20 2tmd s GLU 634 Ca 0.11 -0.47 -0.11 0.00 0.02 0.00 0.00 54.97 54.53 2tmd s GLU 634 Cb -0.08 -2.84 0.01 0.00 0.10 0.00 0.00 34.13 31.32 2tmd s GLU 634 CO 0.05 0.39 0.23 -0.59 0.02 0.00 0.00 175.26 175.36 2tmd s PHE 635 N -1.94 0.02 -0.11 1.61 -0.12 -0.45 -4.91 117.98 112.07 2tmd s PHE 635 Ca 0.37 -0.25 -0.18 0.00 -0.05 0.00 0.00 56.93 56.83 2tmd s PHE 635 Cb -0.10 0.01 -0.26 0.00 -0.63 0.00 0.00 43.02 42.03 2tmd s PHE 635 CO 0.30 -0.47 0.56 -0.44 -0.05 0.00 0.00 175.22 175.11 2tmd h ASP 636 N 3.26 0.32 -4.20 1.98 3.32 0.15 -3.40 116.42 117.85 2tmd h ASP 636 Ca -0.32 -0.83 -0.42 0.00 0.02 0.00 0.00 57.03 55.47 2tmd h ASP 636 Cb 1.20 -0.10 -0.27 0.00 0.22 0.00 0.00 39.33 40.37 2tmd h ASP 636 CO 0.49 1.54 -0.79 -0.44 -1.72 0.00 0.00 179.24 178.32 2tmd s SER 637 N -6.95 1.34 -0.20 6.45 0.01 -0.64 -4.61 113.70 109.11 2tmd s SER 637 Ca -0.20 -0.29 -0.05 0.00 1.31 0.00 0.00 55.95 56.72 2tmd s SER 637 Cb 0.04 -0.12 -0.02 0.00 0.21 0.00 0.00 66.02 66.13 2tmd s SER 637 CO 0.74 0.08 -0.01 -0.22 0.41 0.00 0.00 173.24 174.24 2tmd s LEU 638 N -0.59 3.18 -0.27 2.44 2.96 0.93 -1.81 118.68 125.51 2tmd s LEU 638 Ca 0.02 -0.24 -0.09 0.00 -0.22 0.00 0.00 54.13 53.60 2tmd s LEU 638 Cb -0.06 -1.80 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 2tmd s LEU 638 CO 0.00 0.06 0.14 -0.69 -1.32 0.00 0.00 176.35 174.53 2tmd s VAL 639 N 1.05 4.86 -0.40 1.68 1.01 0.39 -0.45 120.40 128.54 2tmd s VAL 639 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 61.98 61.80 2tmd s VAL 639 Cb -0.14 -3.30 0.01 0.00 0.00 0.00 0.00 36.38 32.94 2tmd s VAL 639 CO 0.01 0.28 0.62 -0.76 0.00 0.00 0.00 175.10 175.25 2tmd s LEU 640 N 1.69 4.39 -0.57 3.92 1.43 -0.40 -1.07 118.68 128.08 2tmd s LEU 640 Ca 0.07 -0.13 0.06 0.00 -1.03 0.00 0.00 54.13 53.10 2tmd s LEU 640 Cb -0.16 -2.73 0.29 0.00 0.03 0.00 0.00 46.19 43.63 2tmd s LEU 640 CO 0.08 -0.67 0.81 0.52 0.23 0.00 0.00 176.35 177.31 2tmd n VAL 641 N 5.70 2.20 0.26 -1.59 0.31 -0.16 -4.21 118.33 120.84 2tmd n VAL 641 Ca -0.02 -5.22 0.10 0.00 -0.01 0.00 0.00 64.34 59.19 2tmd n VAL 641 Cb 0.48 -1.67 -0.15 0.00 -0.91 0.00 0.00 33.84 31.59 2tmd n VAL 641 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2tmd n THR 642 N 0.41 0.00 0.00 2.52 -2.24 -1.26 -1.61 114.28 112.10 2tmd n THR 642 Ca 0.29 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 2tmd n THR 642 Cb 0.43 0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 2tmd n THR 642 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2tmd n GLY 643 N 1.36 1.41 3.49 3.38 0.00 -1.26 -4.20 105.19 109.38 2tmd n GLY 643 Ca -0.02 -1.28 -0.25 0.00 0.00 0.00 0.00 46.02 44.48 2tmd n GLY 643 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2tmd s ARG 644 N -1.95 1.73 0.05 1.61 0.52 -1.26 -0.59 118.95 119.06 2tmd s ARG 644 Ca 0.00 -1.82 0.03 0.00 -0.52 0.00 0.00 55.73 53.42 2tmd s ARG 644 Cb 0.00 -1.76 -0.02 0.00 0.52 0.00 0.00 34.95 33.69 2tmd s ARG 644 CO 0.00 0.27 -0.09 -3.38 0.02 0.00 0.00 175.30 172.12 2tmd s HIS 645 N -2.54 0.81 0.30 -0.53 -3.43 0.03 -4.81 115.29 105.11 2tmd s HIS 645 Ca 0.31 -0.47 -0.29 0.00 -0.80 0.00 0.00 55.06 53.81 2tmd s HIS 645 Cb -0.03 -0.47 -0.10 0.00 -1.43 0.00 0.00 32.58 30.55 2tmd s HIS 645 CO 0.16 -0.04 1.25 -1.12 -2.00 0.00 0.00 174.74 172.98 2tmd s SER 646 N -1.55 6.94 -0.95 7.38 0.01 -1.26 -1.43 113.70 122.84 2tmd s SER 646 Ca -0.07 2.53 -0.15 0.00 1.31 0.00 0.00 55.95 59.57 2tmd s SER 646 Cb -0.10 -2.64 0.19 0.00 0.21 0.00 0.00 66.02 63.69 2tmd s SER 646 CO 0.01 -0.42 1.01 -0.70 0.41 0.00 0.00 173.24 173.55 2tmd s GLU 647 N -1.46 3.75 -0.16 12.44 2.56 0.14 -4.83 118.70 131.14 2tmd s GLU 647 Ca 0.49 -2.37 0.17 0.00 0.00 0.00 0.00 54.97 53.26 2tmd s GLU 647 Cb -0.37 -4.68 0.44 0.00 2.00 0.00 0.00 34.13 31.52 2tmd s GLU 647 CO 0.47 -1.49 1.19 0.00 -0.56 0.00 0.00 175.26 174.87 2tmd h THR 649 N 3.59 1.29 0.48 0.00 1.03 -1.97 -0.87 112.91 116.47 2tmd h THR 649 Ca -0.04 -1.69 -0.01 0.00 -0.01 0.00 0.00 66.41 64.66 2tmd h THR 649 Cb 1.40 1.61 -0.01 0.00 -1.07 0.00 0.00 68.15 70.07 2tmd h THR 649 CO 0.16 0.54 -0.37 0.25 -0.01 0.00 0.00 175.52 176.09 2tmd h LEU 650 N 0.58 -0.98 -0.65 0.00 6.46 -1.96 -1.13 115.31 117.63 2tmd h LEU 650 Ca 0.03 0.07 0.14 0.00 -0.12 0.00 0.00 57.88 58.00 2tmd h LEU 650 Cb 1.06 0.31 -0.11 0.00 -0.73 0.00 0.00 40.66 41.19 2tmd h LEU 650 CO 0.10 -0.55 -0.00 -0.25 -0.62 0.00 0.00 178.44 177.12 2tmd h TRP 651 N -0.84 -0.05 -0.83 1.25 2.91 -1.89 -1.17 115.95 115.33 2tmd h TRP 651 Ca -0.05 0.05 -0.03 0.00 1.13 0.00 0.00 58.89 59.99 2tmd h TRP 651 Cb 0.72 0.12 -0.04 0.00 -0.51 0.00 0.00 29.16 29.46 2tmd h TRP 651 CO -0.16 -0.18 0.41 -0.91 -1.03 0.00 0.00 178.44 176.57 2tmd h ASN 652 N 0.11 1.07 -0.19 2.65 2.35 -0.46 0.94 115.58 122.04 2tmd h ASN 652 Ca 0.34 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.95 2tmd h ASN 652 Cb 0.56 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 2tmd h ASN 652 CO -0.56 0.89 0.07 -0.33 -1.65 0.00 0.00 177.43 175.85 2tmd h GLU 653 N 1.17 0.29 -0.94 0.81 5.08 -0.66 -0.81 114.58 119.52 2tmd h GLU 653 Ca 0.29 -0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.65 2tmd h GLU 653 Cb 0.09 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.24 2tmd h GLU 653 CO -0.04 0.38 0.61 -0.07 -1.00 0.00 0.00 179.01 178.90 2tmd h LEU 654 N 0.15 0.96 -0.19 1.33 3.38 -0.54 -2.03 115.31 118.36 2tmd h LEU 654 Ca 0.06 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 2tmd h LEU 654 Cb 0.21 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2tmd h LEU 654 CO -0.00 0.62 -0.41 0.11 0.09 0.00 0.00 178.44 178.85 2tmd h LYS 655 N 1.09 0.60 -0.98 1.13 1.79 -0.60 -2.61 116.57 116.99 2tmd h LYS 655 Ca 0.40 -0.40 0.26 0.00 -2.18 0.00 0.00 60.65 58.73 2tmd h LYS 655 Cb 0.17 0.06 -0.13 0.00 -1.58 0.00 0.00 32.23 30.75 2tmd h LYS 655 CO -0.15 1.02 0.54 0.00 -1.08 0.00 0.00 179.45 179.78 2tmd h ALA 656 N 0.58 1.75 -0.93 3.86 0.00 -0.84 -1.78 119.26 121.90 2tmd h ALA 656 Ca 0.00 0.15 -0.60 0.00 0.00 0.00 0.00 54.91 54.46 2tmd h ALA 656 Cb 1.01 0.08 -0.30 0.00 0.00 0.00 0.00 17.79 18.59 2tmd h ALA 656 CO 0.09 -0.36 0.56 0.54 0.00 0.00 0.00 179.25 180.08 2tmd n ARG 657 N -4.97 2.67 0.20 0.00 1.74 -0.79 -4.60 116.66 110.91 2tmd n ARG 657 Ca 0.27 -3.34 0.04 0.00 -0.77 0.00 0.00 57.85 54.05 2tmd n ARG 657 Cb 0.78 -2.24 0.45 0.00 -1.02 0.00 0.00 32.46 30.44 2tmd n ARG 657 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 2tmd h GLU 658 N 1.77 0.04 -1.00 5.56 4.81 -1.12 -0.66 114.58 123.99 2tmd h GLU 658 Ca 0.56 -0.01 0.24 0.00 -0.13 0.00 0.00 59.36 60.02 2tmd h GLU 658 Cb 1.34 -0.01 -0.09 0.00 0.63 0.00 0.00 28.75 30.62 2tmd h GLU 658 CO 1.33 0.26 0.64 0.66 -0.73 0.00 0.00 179.01 181.16 2tmd h SER 659 N 0.04 0.52 1.07 1.04 4.64 -1.85 -0.90 113.55 118.12 2tmd h SER 659 Ca 0.01 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2tmd h SER 659 Cb 0.40 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 2tmd h SER 659 CO 0.03 0.14 -0.08 -0.62 -0.87 0.00 0.00 176.83 175.43 2tmd n GLU 660 N -4.64 0.08 0.37 4.77 1.02 -0.26 -4.07 120.64 117.91 2tmd n GLU 660 Ca 0.24 0.06 -0.18 0.00 -0.02 0.00 0.00 57.16 57.26 2tmd n GLU 660 Cb 0.77 -1.59 -0.09 0.00 -0.02 0.00 0.00 31.44 30.51 2tmd n GLU 660 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 2tmd h TRP 661 N 0.00 -0.93 -0.64 -0.32 4.06 -1.23 -2.57 115.95 114.30 2tmd h TRP 661 Ca 0.00 -0.02 0.08 0.00 2.06 0.00 0.00 58.89 61.01 2tmd h TRP 661 Cb 0.57 0.32 -0.06 0.00 -1.00 0.00 0.00 29.16 28.99 2tmd h TRP 661 CO 0.00 -0.56 0.32 0.00 -3.56 0.00 0.00 178.44 174.63 2tmd h ALA 662 N -0.65 0.86 -1.01 1.49 0.00 -1.71 -0.41 119.26 117.82 2tmd h ALA 662 Ca -0.09 0.04 0.24 0.00 0.00 0.00 0.00 54.91 55.11 2tmd h ALA 662 Cb 0.75 -0.05 -0.11 0.00 0.00 0.00 0.00 17.79 18.38 2tmd h ALA 662 CO 0.13 -0.06 0.63 0.93 0.00 0.00 0.00 179.25 180.88 2tmd h GLU 663 N 0.57 0.52 -0.64 0.00 5.08 -1.70 0.94 114.58 119.35 2tmd h GLU 663 Ca 0.30 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 2tmd h GLU 663 Cb 0.28 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2tmd h GLU 663 CO -0.23 0.34 0.00 0.09 -1.00 0.00 0.00 179.01 178.21 2tmd n ASN 664 N -4.74 3.85 -1.43 1.42 3.02 -0.25 -4.92 115.26 112.20 2tmd n ASN 664 Ca 0.25 -2.19 -0.15 0.00 -0.03 0.00 0.00 54.58 52.46 2tmd n ASN 664 Cb 0.76 -0.49 -0.04 0.00 -0.61 0.00 0.00 39.78 39.41 2tmd n ASN 664 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2tmd n ASP 665 N 1.18 -4.67 -4.58 6.41 8.00 0.33 -4.82 116.55 118.40 2tmd n ASP 665 Ca 0.22 0.18 -0.42 0.00 0.71 0.00 0.00 54.79 55.47 2tmd n ASP 665 Cb 0.67 -3.66 -0.05 0.00 -0.02 0.00 0.00 41.12 38.06 2tmd n ASP 665 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2tmd s ILE 666 N -2.65 4.68 -0.13 0.53 1.01 -0.67 -4.67 121.20 119.29 2tmd s ILE 666 Ca 0.00 0.79 0.27 0.00 0.00 0.00 0.00 60.65 61.71 2tmd s ILE 666 Cb 0.00 -4.26 0.32 0.00 0.01 0.00 0.00 42.46 38.53 2tmd s ILE 666 CO 0.00 -0.54 1.77 0.11 0.00 0.00 0.00 174.94 176.28 2tmd h LYS 667 N 8.64 0.00 0.00 2.79 1.57 -0.99 -3.34 116.57 125.24 2tmd h LYS 667 Ca -0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 2tmd h LYS 667 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.40 2tmd h LYS 667 CO 0.94 0.07 0.00 0.41 -0.57 0.00 0.00 179.45 180.30 2tmd n GLY 668 N 0.56 1.88 3.08 3.86 0.00 -1.24 -5.04 105.19 108.29 2tmd n GLY 668 Ca 0.02 -0.24 -0.27 0.00 0.00 0.00 0.00 46.02 45.53 2tmd n GLY 668 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2tmd s ILE 669 N -1.65 1.38 0.12 -0.61 1.01 -1.26 -1.50 121.20 118.69 2tmd s ILE 669 Ca 0.00 -0.62 0.10 0.00 0.00 0.00 0.00 60.65 60.13 2tmd s ILE 669 Cb 0.00 -1.24 -0.04 0.00 0.01 0.00 0.00 42.46 41.20 2tmd s ILE 669 CO 0.00 0.41 -0.26 -0.31 0.00 0.00 0.00 174.94 174.78 2tmd s TYR 670 N 0.59 2.20 -0.16 3.97 2.02 -0.12 -4.98 117.35 120.86 2tmd s TYR 670 Ca -0.16 -0.39 -0.01 0.00 -0.37 0.00 0.00 57.07 56.14 2tmd s TYR 670 Cb -0.16 -1.21 -0.01 0.00 -0.40 0.00 0.00 41.96 40.18 2tmd s TYR 670 CO 0.05 0.29 -0.11 -1.17 -1.57 0.00 0.00 175.55 173.05 2tmd s LEU 671 N -1.96 2.73 0.26 -1.29 2.96 -1.26 -0.27 118.68 119.86 2tmd s LEU 671 Ca 0.12 -0.37 0.02 0.00 -0.22 0.00 0.00 54.13 53.68 2tmd s LEU 671 Cb -0.10 -1.64 -0.05 0.00 0.50 0.00 0.00 46.19 44.89 2tmd s LEU 671 CO 0.05 0.09 0.08 0.27 -1.32 0.00 0.00 176.35 175.52 2tmd s ILE 672 N 0.79 0.66 0.00 6.68 -4.36 -0.69 -4.78 121.20 119.49 2tmd s ILE 672 Ca -0.04 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.35 2tmd s ILE 672 Cb -0.15 -2.59 0.00 0.00 1.25 0.00 0.00 42.46 40.97 2tmd s ILE 672 CO 0.01 -0.06 0.00 0.61 0.24 0.00 0.00 174.94 175.74 2tmd n GLY 673 N -0.46 0.33 0.31 6.27 0.00 -1.26 -3.28 105.19 107.09 2tmd n GLY 673 Ca -0.01 -0.87 0.19 0.00 0.00 0.00 0.00 46.02 45.33 2tmd n GLY 673 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2tmd h ASP 674 N 6.01 0.00 0.55 1.61 3.32 -1.85 -1.26 116.42 124.81 2tmd h ASP 674 Ca 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 2tmd h ASP 674 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2tmd h ASP 674 CO 0.00 0.02 -0.31 0.00 -1.72 0.00 0.00 179.24 177.23 2tmd h ALA 675 N 1.98 1.21 0.00 3.45 0.00 -1.46 -3.14 119.26 121.30 2tmd h ALA 675 Ca -0.00 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 2tmd h ALA 675 Cb 0.19 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2tmd h ALA 675 CO 0.00 0.38 -0.00 1.49 0.00 0.00 0.00 179.25 181.13 2tmd h GLU 676 N 0.00 -0.00 -1.79 0.00 4.81 -1.23 -3.41 114.58 112.95 2tmd h GLU 676 Ca -0.00 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 2tmd h GLU 676 Cb 0.67 0.00 -0.24 0.00 0.63 0.00 0.00 28.75 29.81 2tmd h GLU 676 CO 0.04 0.89 0.25 0.00 -0.73 0.00 0.00 179.01 179.46 2tmd s ALA 677 N -2.44 -1.96 0.33 2.92 0.00 -1.08 -4.95 121.76 114.58 2tmd s ALA 677 Ca -0.18 2.11 -0.29 0.00 0.00 0.00 0.00 51.96 53.60 2tmd s ALA 677 Cb -0.02 -1.42 -0.11 0.00 0.00 0.00 0.00 23.12 21.56 2tmd s ALA 677 CO 0.65 -0.32 1.53 -2.30 0.00 0.00 0.00 175.76 175.32 2tmd n PRO 678 N 3.12 2.63 -3.88 0.00 -0.02 -1.21 -3.90 135.00 131.74 2tmd n PRO 678 Ca -0.16 0.93 -0.09 0.00 -2.02 0.00 0.00 63.50 62.16 2tmd n PRO 678 Cb 0.57 -2.67 -0.01 0.00 -0.02 0.00 0.00 33.50 31.37 2tmd n PRO 678 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 2tmd s ARG 679 N -1.25 2.01 0.62 -0.52 1.70 -1.26 -5.01 118.95 115.24 2tmd s ARG 679 Ca 0.59 -1.36 -0.19 0.00 -0.47 0.00 0.00 55.73 54.30 2tmd s ARG 679 Cb -0.50 0.58 -0.02 0.00 -0.57 0.00 0.00 34.95 34.44 2tmd s ARG 679 CO 0.56 -0.91 1.30 -0.51 -1.08 0.00 0.00 175.30 174.66 2tmd s LEU 680 N -3.05 3.63 0.37 -1.89 1.02 -1.26 -4.79 118.68 112.72 2tmd s LEU 680 Ca 0.17 2.63 0.07 0.00 0.02 0.00 0.00 54.13 57.03 2tmd s LEU 680 Cb -0.04 -4.55 0.79 0.00 0.02 0.00 0.00 46.19 42.41 2tmd s LEU 680 CO 0.11 -1.90 1.97 0.40 0.02 0.00 0.00 176.35 176.96 2tmd h ILE 681 N 0.74 1.01 -0.84 -0.59 2.04 -1.99 0.17 117.51 118.05 2tmd h ILE 681 Ca -0.51 -0.24 0.01 0.00 1.00 0.00 0.00 64.86 65.13 2tmd h ILE 681 Cb 1.33 0.25 -0.04 0.00 -0.74 0.00 0.00 36.82 37.62 2tmd h ILE 681 CO 0.54 0.13 0.55 0.00 0.00 0.00 0.00 178.15 179.37 2tmd h ALA 682 N 1.63 1.07 0.00 1.87 0.00 -1.89 -0.77 119.26 121.17 2tmd h ALA 682 Ca 0.30 -0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.96 2tmd h ALA 682 Cb 0.28 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2tmd h ALA 682 CO -0.10 0.45 -1.09 -0.44 0.00 0.00 0.00 179.25 178.07 2tmd h ASP 683 N 1.12 0.00 -0.36 0.00 3.32 -1.51 -1.64 116.42 117.34 2tmd h ASP 683 Ca 0.31 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.37 2tmd h ASP 683 Cb -0.10 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 2tmd h ASP 683 CO -0.08 0.83 0.22 0.00 -1.72 0.00 0.00 179.24 178.49 2tmd h ALA 684 N 1.17 0.45 0.00 3.45 0.00 -0.13 -0.70 119.26 123.51 2tmd h ALA 684 Ca -0.09 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 2tmd h ALA 684 Cb 1.71 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.37 2tmd h ALA 684 CO 0.09 -0.12 -0.55 1.79 0.00 0.00 0.00 179.25 180.46 2tmd h THR 685 N 0.45 1.26 -0.32 0.00 1.35 -1.11 -2.25 112.91 112.29 2tmd h THR 685 Ca 0.14 -1.98 0.01 0.00 -0.55 0.00 0.00 66.41 64.03 2tmd h THR 685 Cb -0.01 2.11 -0.02 0.00 -1.73 0.00 0.00 68.15 68.50 2tmd h THR 685 CO -0.06 0.54 0.19 0.15 -0.25 0.00 0.00 175.52 176.09 2tmd h PHE 686 N 0.00 0.35 -0.61 4.73 3.57 -0.97 -0.58 116.94 123.43 2tmd h PHE 686 Ca -0.01 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 2tmd h PHE 686 Cb 1.06 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.66 2tmd h PHE 686 CO 0.00 0.21 0.36 1.79 -2.23 0.00 0.00 178.31 178.45 2tmd h THR 687 N 0.39 1.18 -0.36 4.41 1.35 -0.53 0.31 112.91 119.66 2tmd h THR 687 Ca 0.12 -0.40 -0.11 0.00 -0.55 0.00 0.00 66.41 65.47 2tmd h THR 687 Cb -0.01 0.32 -0.01 0.00 -1.73 0.00 0.00 68.15 66.72 2tmd h THR 687 CO -0.05 0.19 -0.22 1.23 -0.25 0.00 0.00 175.52 176.41 2tmd h GLY 688 N 0.88 0.84 0.98 5.82 0.00 -1.23 -1.62 103.07 108.75 2tmd h GLY 688 Ca 0.22 -0.79 0.01 0.00 0.00 0.00 0.00 47.33 46.77 2tmd h GLY 688 CO -0.04 0.72 0.41 0.84 0.00 0.00 0.00 176.54 178.46 2tmd h HIS 689 N 0.56 0.77 -0.13 5.60 6.17 -0.52 -2.69 115.15 124.91 2tmd h HIS 689 Ca 0.07 0.02 -0.07 0.00 0.71 0.00 0.00 60.37 61.11 2tmd h HIS 689 Cb 0.78 -0.26 -0.00 0.00 2.52 0.00 0.00 27.41 30.45 2tmd h HIS 689 CO 0.06 0.48 -0.18 -0.09 0.71 0.00 0.00 177.93 178.91 2tmd h ARG 690 N 0.82 0.34 0.00 5.26 2.43 -0.09 -1.09 114.38 122.05 2tmd h ARG 690 Ca 0.23 -0.20 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 2tmd h ARG 690 Cb -0.08 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.48 2tmd h ARG 690 CO -0.06 0.77 -0.16 -0.39 -1.51 0.00 0.00 179.97 178.62 2tmd h VAL 691 N -0.06 0.82 -0.24 0.20 -1.51 -1.35 0.09 116.25 114.20 2tmd h VAL 691 Ca 0.01 -0.62 -0.19 0.00 -1.23 0.00 0.00 66.70 64.68 2tmd h VAL 691 Cb 0.73 1.36 0.00 0.00 -2.13 0.00 0.00 31.29 31.26 2tmd h VAL 691 CO 0.04 0.16 -0.59 0.00 -1.23 0.00 0.00 177.57 175.95 2tmd h ALA 692 N 1.84 0.39 -0.08 5.19 0.00 -1.31 -0.19 119.26 125.10 2tmd h ALA 692 Ca -0.00 -0.53 -0.11 0.00 0.00 0.00 0.00 54.91 54.27 2tmd h ALA 692 Cb 0.35 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2tmd h ALA 692 CO 0.02 0.64 -0.45 0.00 0.00 0.00 0.00 179.25 179.46 2tmd h ARG 693 N 0.58 0.18 -0.26 0.00 2.47 -0.55 -3.31 114.38 113.50 2tmd h ARG 693 Ca -0.01 -0.09 -0.09 0.00 -1.26 0.00 0.00 59.98 58.53 2tmd h ARG 693 Cb 1.21 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.48 2tmd h ARG 693 CO 0.13 0.60 -0.06 0.39 0.56 0.00 0.00 179.97 181.59 2tmd n GLU 694 N -4.00 2.14 0.09 0.04 1.02 -0.04 -4.69 120.64 115.21 2tmd n GLU 694 Ca -0.02 -3.00 0.11 0.00 -0.02 0.00 0.00 57.16 54.24 2tmd n GLU 694 Cb 0.50 -1.78 0.45 0.00 -0.02 0.00 0.00 31.44 30.59 2tmd n GLU 694 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 2tmd n ILE 695 N -0.95 0.77 -0.08 -3.67 3.06 -0.10 -1.12 119.36 117.27 2tmd n ILE 695 Ca 0.26 0.13 0.11 0.00 -2.50 0.00 0.00 62.75 60.76 2tmd n ILE 695 Cb 0.92 -0.99 0.26 0.00 0.54 0.00 0.00 39.64 40.38 2tmd n ILE 695 CO 0.00 0.00 0.00 1.21 -2.50 0.00 0.00 176.55 175.26 2tmd n GLU 696 N -2.04 2.62 -1.75 9.51 4.07 -1.26 -4.84 120.64 126.94 2tmd n GLU 696 Ca 0.03 -2.46 -0.29 0.00 -0.06 0.00 0.00 57.16 54.38 2tmd n GLU 696 Cb 0.26 -1.52 0.09 0.00 -0.06 0.00 0.00 31.44 30.21 2tmd n GLU 696 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 2tmd s GLU 697 N -1.19 1.99 0.30 5.31 0.41 -0.27 -4.94 118.70 120.31 2tmd s GLU 697 Ca 0.43 0.33 0.04 0.00 -0.41 0.00 0.00 54.97 55.35 2tmd s GLU 697 Cb 0.23 -1.93 0.64 0.00 -1.78 0.00 0.00 34.13 31.29 2tmd s GLU 697 CO 0.31 -1.62 1.82 0.00 -0.49 0.00 0.00 175.26 175.29 2tmd h ALA 698 N -1.08 1.60 -1.95 5.21 0.00 -1.93 -3.35 119.26 117.77 2tmd h ALA 698 Ca -0.47 0.04 -0.39 0.00 0.00 0.00 0.00 54.91 54.09 2tmd h ALA 698 Cb 1.30 -0.16 -0.31 0.00 0.00 0.00 0.00 17.79 18.62 2tmd h ALA 698 CO 0.63 0.11 -0.72 1.21 0.00 0.00 0.00 179.25 180.48 2tmd s ASN 699 N -5.61 1.02 0.00 0.00 2.47 -1.26 -5.00 114.94 106.56 2tmd s ASN 699 Ca -0.11 -1.88 0.02 0.00 0.42 0.00 0.00 52.86 51.31 2tmd s ASN 699 Cb 0.23 0.49 0.11 0.00 -1.45 0.00 0.00 41.25 40.63 2tmd s ASN 699 CO 0.81 -0.22 0.83 -2.65 -3.72 0.00 0.00 177.10 172.14 2tmd n PRO 700 N 3.87 0.03 0.08 0.43 -0.02 -1.26 -2.18 135.00 135.95 2tmd n PRO 700 Ca 0.15 0.22 -0.08 0.00 -2.02 0.00 0.00 63.50 61.77 2tmd n PRO 700 Cb 0.46 -1.50 0.03 0.00 -0.02 0.00 0.00 33.50 32.47 2tmd n PRO 700 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2tmd h GLN 701 N 0.00 0.25 -5.78 -0.52 5.75 -1.94 -3.43 115.11 109.44 2tmd h GLN 701 Ca 0.00 -0.24 -0.67 0.00 -0.15 0.00 0.00 58.65 57.59 2tmd h GLN 701 Cb 0.02 0.06 -0.24 0.00 1.07 0.00 0.00 27.48 28.39 2tmd h GLN 701 CO 0.00 0.92 -0.74 0.42 -2.65 0.00 0.00 178.83 176.78 2tmd s ILE 702 N -3.41 3.25 0.55 2.39 -1.09 -0.93 -5.02 121.20 116.94 2tmd s ILE 702 Ca -0.04 -0.62 -0.20 0.00 -2.23 0.00 0.00 60.65 57.56 2tmd s ILE 702 Cb 0.10 -2.33 -0.05 0.00 -1.58 0.00 0.00 42.46 38.60 2tmd s ILE 702 CO 0.83 0.56 1.20 0.00 -1.23 0.00 0.00 174.94 176.29 2tmd s ALA 703 N -0.19 2.71 0.59 9.38 0.00 -1.26 -4.84 121.76 128.14 2tmd s ALA 703 Ca 0.01 1.00 -0.13 0.00 0.00 0.00 0.00 51.96 52.84 2tmd s ALA 703 Cb -0.13 -3.43 -0.05 0.00 0.00 0.00 0.00 23.12 19.50 2tmd s ALA 703 CO 0.03 -1.00 1.02 0.96 0.00 0.00 0.00 175.76 176.77 2tmd s ILE 704 N -1.57 4.59 0.58 0.00 -4.36 -1.26 -5.02 121.20 114.17 2tmd s ILE 704 Ca 0.72 0.97 -0.20 0.00 -0.26 0.00 0.00 60.65 61.89 2tmd s ILE 704 Cb -0.30 -3.78 -0.04 0.00 1.25 0.00 0.00 42.46 39.58 2tmd s ILE 704 CO 0.34 -0.97 1.18 -2.65 0.24 0.00 0.00 174.94 173.08 2tmd n PRO 705 N -2.38 1.24 -4.19 0.37 -0.02 -1.26 -5.03 135.00 123.73 2tmd n PRO 705 Ca 0.06 0.47 -0.23 0.00 -2.02 0.00 0.00 63.50 61.79 2tmd n PRO 705 Cb 0.54 -2.38 -0.06 0.00 -0.02 0.00 0.00 33.50 31.58 2tmd n PRO 705 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 2tmd s TYR 706 N -1.39 2.82 0.21 6.00 -0.85 -1.26 -4.96 117.35 117.92 2tmd s TYR 706 Ca 0.75 -0.23 -0.31 0.00 -0.52 0.00 0.00 57.07 56.77 2tmd s TYR 706 Cb -0.42 -1.36 -0.10 0.00 0.38 0.00 0.00 41.96 40.46 2tmd s TYR 706 CO 0.47 0.52 1.55 0.15 -1.52 0.00 0.00 175.55 176.72 2tmd s LYS 707 N -3.77 4.21 -0.14 -3.49 1.02 0.49 -5.00 119.74 113.06 2tmd s LYS 707 Ca 0.33 2.40 -0.04 0.00 0.02 0.00 0.00 55.97 58.68 2tmd s LYS 707 Cb -0.06 -3.12 -0.03 0.00 -0.52 0.00 0.00 37.83 34.10 2tmd s LYS 707 CO 0.22 -0.57 0.01 1.03 -0.92 0.00 0.00 175.35 175.12 2tmd s ARG 708 N 0.48 3.51 -0.96 1.68 0.52 -1.26 -4.68 118.95 118.24 2tmd s ARG 708 Ca 0.66 -0.42 -0.02 0.00 -0.52 0.00 0.00 55.73 55.43 2tmd s ARG 708 Cb -0.44 -2.96 0.28 0.00 0.52 0.00 0.00 34.95 32.35 2tmd s ARG 708 CO 0.37 0.43 1.16 0.39 0.02 0.00 0.00 175.30 177.67 2tmd n GLU 709 N 3.01 3.64 -4.33 3.54 1.02 -1.26 -5.01 120.64 121.25 2tmd n GLU 709 Ca -0.18 -4.56 -0.25 0.00 -0.02 0.00 0.00 57.16 52.16 2tmd n GLU 709 Cb 0.53 -2.44 -0.12 0.00 -0.02 0.00 0.00 31.44 29.38 2tmd n GLU 709 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2tmd s THR 710 N -2.30 1.90 0.40 2.62 2.01 -1.26 -4.86 115.64 114.15 2tmd s THR 710 Ca 0.32 -1.68 -0.27 0.00 0.31 0.00 0.00 61.69 60.37 2tmd s THR 710 Cb 0.03 -1.74 -0.10 0.00 0.01 0.00 0.00 72.50 70.70 2tmd s THR 710 CO 0.02 -0.06 1.42 -0.51 -0.69 0.00 0.00 174.62 174.79 2tmd s ILE 711 N -1.30 2.21 -0.29 1.82 2.07 -1.26 -4.99 121.20 119.47 2tmd s ILE 711 Ca 0.11 0.20 -0.18 0.00 -1.41 0.00 0.00 60.65 59.37 2tmd s ILE 711 Cb -0.09 -3.12 -0.02 0.00 0.13 0.00 0.00 42.46 39.35 2tmd s ILE 711 CO 0.05 0.04 0.51 0.00 -1.91 0.00 0.00 174.94 173.64 2tmd s ALA 712 N -1.17 3.55 0.12 1.50 0.00 -1.26 -5.04 121.76 119.47 2tmd s ALA 712 Ca 0.55 -0.73 -0.35 0.00 0.00 0.00 0.00 51.96 51.43 2tmd s ALA 712 Cb -0.44 -2.93 -0.15 0.00 0.00 0.00 0.00 23.12 19.61 2tmd s ALA 712 CO 0.58 -0.89 1.49 1.87 0.00 0.00 0.00 175.76 178.81 2tmd n TRP 713 N 5.61 1.96 0.00 0.00 -0.00 -1.26 -1.21 117.44 122.55 2tmd n TRP 713 Ca -0.04 0.42 0.00 0.00 -0.00 0.00 0.00 57.50 57.87 2tmd n TRP 713 Cb 0.50 -2.46 0.00 0.00 -0.00 0.00 0.00 31.31 29.35 2tmd n TRP 713 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2tmd n GLY 714 N 3.08 0.70 3.05 5.87 0.00 -1.26 -5.06 105.19 111.58 2tmd n GLY 714 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 2tmd n GLY 714 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2tmd s THR 715 N -2.00 2.09 0.42 2.61 2.01 -0.35 -4.95 115.64 115.47 2tmd s THR 715 Ca 0.00 -1.59 -0.24 0.00 0.31 0.00 0.00 61.69 60.17 2tmd s THR 715 Cb 0.00 -2.22 -0.08 0.00 0.01 0.00 0.00 72.50 70.21 2tmd s THR 715 CO 0.00 -0.04 1.16 -2.16 -0.69 0.00 0.00 174.62 172.89 2tmd s PRO 716 N 1.14 3.96 0.17 4.92 0.04 -1.26 -4.72 135.00 139.24 2tmd s PRO 716 Ca -0.09 1.79 -0.08 0.00 0.04 0.00 0.00 61.00 62.67 2tmd s PRO 716 Cb -0.20 -2.57 0.05 0.00 0.04 0.00 0.00 34.50 31.83 2tmd s PRO 716 CO -0.05 -0.39 1.55 1.25 0.04 0.00 0.00 177.00 179.40 2tmd h HIS 717 N 2.41 1.03 -2.92 0.56 2.76 -1.97 -3.41 115.15 113.62 2tmd h HIS 717 Ca -0.49 -0.27 -0.57 0.00 -2.20 0.00 0.00 60.37 56.84 2tmd h HIS 717 Cb 1.24 -0.23 -0.04 0.00 1.55 0.00 0.00 27.41 29.93 2tmd h HIS 717 CO 0.55 1.07 0.89 1.41 -1.30 0.00 0.00 177.93 180.54 2tmd s MET 718 N -4.53 4.24 -0.32 5.26 -2.45 -1.26 -4.32 119.30 115.93 2tmd s MET 718 Ca -0.10 1.69 -0.37 0.00 -1.25 0.00 0.00 55.69 55.65 2tmd s MET 718 Cb 0.12 -3.75 -0.13 0.00 1.25 0.00 0.00 34.83 32.32 2tmd s MET 718 CO 0.86 -0.68 2.04 -2.30 1.05 0.00 0.00 175.02 175.99 2tmd n PRO 719 N 6.47 1.09 -1.30 4.11 -0.02 -1.26 -0.93 135.00 143.15 2tmd n PRO 719 Ca 0.14 0.34 -0.00 0.00 -2.02 0.00 0.00 63.50 61.95 2tmd n PRO 719 Cb 0.45 -2.29 -0.00 0.00 -0.02 0.00 0.00 33.50 31.64 2tmd n PRO 719 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2tmd n GLY 720 N 5.82 0.39 3.98 -1.23 0.00 -1.26 -5.03 105.19 107.87 2tmd n GLY 720 Ca 0.37 -1.02 -0.25 0.00 0.00 0.00 0.00 46.02 45.12 2tmd n GLY 720 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2tmd s GLY 721 N -2.99 1.76 -0.26 -0.02 0.00 -0.11 -5.08 107.32 100.63 2tmd s GLY 721 Ca 0.00 -1.68 -0.08 0.00 0.00 0.00 0.00 44.72 42.96 2tmd s GLY 721 CO 0.00 -1.05 0.09 0.21 0.00 0.00 0.00 173.10 172.35 2tmd s ASN 722 N -4.79 5.26 0.08 1.64 2.47 -1.26 -4.79 114.94 113.55 2tmd s ASN 722 Ca 0.68 -0.19 0.26 0.00 0.42 0.00 0.00 52.86 54.03 2tmd s ASN 722 Cb -0.05 -1.95 0.62 0.00 -1.45 0.00 0.00 41.25 38.43 2tmd s ASN 722 CO 0.46 -0.04 1.53 2.22 -3.72 0.00 0.00 177.10 177.55 2tmd n PHE 723 N 4.94 0.37 -2.87 0.43 1.16 -1.26 -4.92 117.46 115.31 2tmd n PHE 723 Ca -0.16 0.11 -0.25 0.00 -1.87 0.00 0.00 57.45 55.28 2tmd n PHE 723 Cb 0.51 -0.57 0.01 0.00 -1.61 0.00 0.00 39.48 37.82 2tmd n PHE 723 CO 0.00 0.00 0.00 -1.59 -1.87 0.00 0.00 176.76 173.30 2tmd s LYS 724 N -3.08 3.22 -0.03 3.97 -2.85 -1.26 -4.95 119.74 114.76 2tmd s LYS 724 Ca 0.10 -0.22 -0.30 0.00 -1.00 0.00 0.00 55.97 54.55 2tmd s LYS 724 Cb 0.15 -2.48 -0.08 0.00 -2.06 0.00 0.00 37.83 33.36 2tmd s LYS 724 CO 0.66 -0.26 2.01 0.42 0.10 0.00 0.00 175.35 178.28 2tmd s ILE 725 N -2.63 3.05 -0.18 3.79 1.01 -1.26 -4.99 121.20 120.00 2tmd s ILE 725 Ca 0.48 0.06 0.00 0.00 0.00 0.00 0.00 60.65 61.19 2tmd s ILE 725 Cb -0.10 -3.05 0.04 0.00 0.01 0.00 0.00 42.46 39.36 2tmd s ILE 725 CO 0.40 -0.01 -0.08 -1.61 0.00 0.00 0.00 174.94 173.64 2tmd s GLU 726 N 4.88 1.77 0.12 2.79 2.02 -1.26 -5.14 118.70 123.88 2tmd s GLU 726 Ca 0.90 -0.65 -0.22 0.00 0.02 0.00 0.00 54.97 55.02 2tmd s GLU 726 Cb -0.40 -2.17 -0.07 0.00 0.10 0.00 0.00 34.13 31.59 2tmd s GLU 726 CO 0.39 -0.40 0.68 0.71 0.02 0.00 0.00 175.26 176.66 2tmd s TYR 727 N 1.52 3.86 -0.64 1.61 2.02 -1.26 -5.00 117.35 119.46 2tmd s TYR 727 Ca 0.00 1.46 -0.25 0.00 -0.37 0.00 0.00 57.07 57.91 2tmd s TYR 727 Cb -0.15 -2.64 0.05 0.00 -0.40 0.00 0.00 41.96 38.81 2tmd s TYR 727 CO -0.08 0.54 1.07 0.15 -1.57 0.00 0.00 175.55 175.66 2tmd s LYS 728 N -1.09 3.25 0.00 -0.62 1.02 -1.26 -5.33 119.74 115.71 2tmd s LYS 728 Ca 0.32 -0.37 0.00 0.00 0.02 0.00 0.00 55.97 55.94 2tmd s LYS 728 Cb -0.21 -4.14 0.00 0.00 -0.52 0.00 0.00 37.83 32.96 2tmd s LYS 728 CO 0.23 -1.79 0.02 1.55 -0.92 0.00 0.00 175.35 174.44