#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y44 s LEU 3 N 0.00 2.90 -0.27 -4.62 1.43 -0.18 -0.24 118.68 117.70 1y44 s LEU 3 Ca 0.00 -0.30 0.02 0.00 -1.03 0.00 0.00 54.13 52.82 1y44 s LEU 3 Cb 0.00 -1.69 0.07 0.00 0.03 0.00 0.00 46.19 44.60 1y44 s LEU 3 CO 0.00 0.11 -0.06 -0.22 0.23 0.00 0.00 176.35 176.41 1y44 s LEU 4 N 0.72 3.32 -0.31 1.79 2.96 0.27 -0.24 118.68 127.19 1y44 s LEU 4 Ca -0.04 -1.46 -0.29 0.00 -0.22 0.00 0.00 54.13 52.13 1y44 s LEU 4 Cb -0.15 -1.41 -0.00 0.00 0.50 0.00 0.00 46.19 45.13 1y44 s LEU 4 CO 0.02 -0.25 1.37 -0.36 -1.32 0.00 0.00 176.35 175.81 1y44 s PHE 5 N 1.19 2.55 -0.04 5.38 0.40 -0.33 -1.12 117.98 126.00 1y44 s PHE 5 Ca -0.04 0.79 -0.05 0.00 -0.60 0.00 0.00 56.93 57.03 1y44 s PHE 5 Cb -0.19 -3.99 -0.28 0.00 0.51 0.00 0.00 43.02 39.07 1y44 s PHE 5 CO -0.07 -1.93 0.68 -0.07 0.70 0.00 0.00 175.22 174.52 1y44 h LEU 6 N 11.23 0.42 -7.48 -0.37 3.38 -1.42 0.63 115.31 121.71 1y44 h LEU 6 Ca -0.27 -0.69 -0.24 0.00 0.09 0.00 0.00 57.88 56.76 1y44 h LEU 6 Cb 1.11 -0.14 -0.31 0.00 0.09 0.00 0.00 40.66 41.41 1y44 h LEU 6 CO 1.04 1.59 -0.61 -0.83 0.09 0.00 0.00 178.44 179.72 1y44 s GLY 7 N -5.16 -0.02 -0.01 0.83 0.00 -0.79 -4.54 107.32 97.62 1y44 s GLY 7 Ca -0.13 0.57 0.01 0.00 0.00 0.00 0.00 44.72 45.16 1y44 s GLY 7 CO 0.83 0.83 0.89 -1.30 0.00 0.00 0.00 173.10 174.34 1y44 n THR 8 N 3.99 0.79 -1.35 0.90 -2.24 -0.94 -2.45 114.28 112.98 1y44 n THR 8 Ca -0.24 -0.81 0.00 0.00 -2.27 0.00 0.00 64.05 60.73 1y44 n THR 8 Cb 0.53 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 69.33 1y44 n THR 8 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1y44 n GLY 9 N -0.43 -0.15 3.19 3.38 0.00 0.76 -0.50 105.19 111.45 1y44 n GLY 9 Ca 0.01 -1.79 -0.13 0.00 0.00 0.00 0.00 46.02 44.11 1y44 n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y44 s ALA 10 N -3.40 -0.64 0.00 4.61 0.00 -1.21 -3.86 121.76 117.26 1y44 s ALA 10 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.22 1y44 s ALA 10 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.13 1y44 s ALA 10 CO 0.00 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 175.94 1y44 n GLY 11 N 1.55 1.48 3.15 0.00 0.00 -1.26 -4.72 105.19 105.39 1y44 n GLY 11 Ca -0.21 0.13 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 1y44 n GLY 11 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1y44 s ILE 12 N 0.00 0.64 0.58 -0.61 -4.36 -1.26 -4.59 121.20 111.60 1y44 s ILE 12 Ca 0.00 -1.81 -0.20 0.00 -0.26 0.00 0.00 60.65 58.39 1y44 s ILE 12 Cb 0.00 -1.52 -0.04 0.00 1.25 0.00 0.00 42.46 42.15 1y44 s ILE 12 CO 0.00 -0.81 1.24 -2.84 0.24 0.00 0.00 174.94 172.77 1y44 s PRO 13 N -3.52 3.04 0.06 0.37 0.02 -1.26 -4.72 135.00 128.98 1y44 s PRO 13 Ca 0.08 1.92 0.02 0.00 0.02 0.00 0.00 61.00 63.04 1y44 s PRO 13 Cb 0.03 -2.03 -0.03 0.00 0.02 0.00 0.00 34.50 32.50 1y44 s PRO 13 CO -0.04 -1.18 -0.07 0.00 -0.33 0.00 0.00 177.00 175.38 1y44 s ALA 14 N -1.51 0.64 0.36 -1.55 0.00 -0.38 -5.01 121.76 114.32 1y44 s ALA 14 Ca 0.76 -0.92 0.11 0.00 0.00 0.00 0.00 51.96 51.91 1y44 s ALA 14 Cb -0.33 0.09 0.89 0.00 0.00 0.00 0.00 23.12 23.78 1y44 s ALA 14 CO 0.36 -0.10 1.83 0.87 0.00 0.00 0.00 175.76 178.73 1y44 h LYS 15 N 4.06 0.59 0.16 0.00 1.57 -2.02 -2.44 116.57 118.50 1y44 h LYS 15 Ca -0.35 -0.04 -0.29 0.00 -1.87 0.00 0.00 60.65 58.10 1y44 h LYS 15 Cb 1.19 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 33.38 1y44 h LYS 15 CO 0.48 0.39 -1.30 0.00 -0.57 0.00 0.00 179.45 178.45 1y44 h ALA 16 N 1.61 0.03 -3.38 3.86 0.00 -2.02 -3.46 119.26 115.90 1y44 h ALA 16 Ca 0.50 -0.87 -0.40 0.00 0.00 0.00 0.00 54.91 54.13 1y44 h ALA 16 Cb 0.95 0.05 -0.36 0.00 0.00 0.00 0.00 17.79 18.44 1y44 h ALA 16 CO -0.25 0.89 -0.76 1.03 0.00 0.00 0.00 179.25 180.16 1y44 s ARG 17 N -2.66 0.60 0.69 0.00 0.52 -0.92 -4.62 118.95 112.56 1y44 s ARG 17 Ca -0.05 0.03 -0.09 0.00 -0.52 0.00 0.00 55.73 55.10 1y44 s ARG 17 Cb 0.06 -0.80 0.03 0.00 0.52 0.00 0.00 34.95 34.76 1y44 s ARG 17 CO 0.90 -0.19 1.03 1.21 0.02 0.00 0.00 175.30 178.28 1y44 s ASN 18 N 1.40 5.19 1.04 0.23 2.47 -1.26 -1.24 114.94 122.77 1y44 s ASN 18 Ca -0.04 0.79 -0.12 0.00 0.42 0.00 0.00 52.86 53.92 1y44 s ASN 18 Cb -0.13 -1.56 0.22 0.00 -1.45 0.00 0.00 41.25 38.32 1y44 s ASN 18 CO -0.03 -1.41 1.08 0.68 -3.72 0.00 0.00 177.10 173.70 1y44 s VAL 19 N -3.26 2.11 0.35 -5.21 -7.23 -1.26 -0.17 120.40 105.73 1y44 s VAL 19 Ca 0.58 0.04 -0.29 0.00 -1.81 0.00 0.00 61.98 60.50 1y44 s VAL 19 Cb -0.11 -2.12 -0.11 0.00 0.56 0.00 0.00 36.38 34.60 1y44 s VAL 19 CO 0.48 -0.05 1.51 0.28 -0.31 0.00 0.00 175.10 177.01 1y44 s THR 20 N -2.58 2.07 0.00 5.32 -1.32 -1.21 -4.08 115.64 113.84 1y44 s THR 20 Ca 0.67 0.07 0.00 0.00 -1.21 0.00 0.00 61.69 61.22 1y44 s THR 20 Cb -0.23 -3.04 0.00 0.00 -1.51 0.00 0.00 72.50 67.71 1y44 s THR 20 CO 0.61 0.01 0.00 -0.24 -2.21 0.00 0.00 174.62 172.80 1y44 n SER 21 N 0.95 0.00 -4.08 8.08 2.88 -1.03 -0.59 113.62 119.83 1y44 n SER 21 Ca 0.03 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.31 1y44 n SER 21 Cb 0.39 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.68 1y44 n SER 21 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1y44 s VAL 22 N 0.00 1.30 -0.22 2.46 1.01 -0.78 -1.05 120.40 123.12 1y44 s VAL 22 Ca 0.00 -0.61 -0.12 0.00 0.00 0.00 0.00 61.98 61.26 1y44 s VAL 22 Cb 0.00 -1.15 -0.05 0.00 0.00 0.00 0.00 36.38 35.18 1y44 s VAL 22 CO 0.00 0.39 0.21 0.00 0.00 0.00 0.00 175.10 175.69 1y44 s ALA 23 N 0.38 3.61 -0.55 5.51 0.00 -0.28 -0.71 121.76 129.73 1y44 s ALA 23 Ca -0.11 -0.75 -0.16 0.00 0.00 0.00 0.00 51.96 50.94 1y44 s ALA 23 Cb -0.14 -2.36 0.13 0.00 0.00 0.00 0.00 23.12 20.76 1y44 s ALA 23 CO 0.04 -0.13 0.51 -1.17 0.00 0.00 0.00 175.76 175.01 1y44 s LEU 24 N 0.93 6.19 -0.04 0.00 2.96 0.19 -0.57 118.68 128.35 1y44 s LEU 24 Ca 0.10 -1.81 -0.30 0.00 -0.22 0.00 0.00 54.13 51.90 1y44 s LEU 24 Cb -0.13 -2.21 -0.03 0.00 0.50 0.00 0.00 46.19 44.32 1y44 s LEU 24 CO 0.04 -0.86 1.08 -0.54 -1.32 0.00 0.00 176.35 174.76 1y44 s LYS 25 N 1.58 4.44 -0.30 1.98 1.02 0.66 -1.16 119.74 127.97 1y44 s LYS 25 Ca 0.04 1.54 0.16 0.00 0.02 0.00 0.00 55.97 57.72 1y44 s LYS 25 Cb -0.29 -3.49 0.48 0.00 -0.52 0.00 0.00 37.83 34.00 1y44 s LYS 25 CO 0.03 -0.27 1.10 1.28 -0.92 0.00 0.00 175.35 176.56 1y44 n LEU 26 N 4.58 2.76 -0.25 3.17 4.77 0.12 -2.42 117.00 129.72 1y44 n LEU 26 Ca 0.09 -3.86 -0.06 0.00 -0.03 0.00 0.00 56.01 52.15 1y44 n LEU 26 Cb 0.48 0.15 0.05 0.00 -2.33 0.00 0.00 43.42 41.78 1y44 n LEU 26 CO 0.53 1.56 1.12 -0.07 -1.33 0.00 0.00 177.39 179.20 1y44 h LEU 27 N 2.58 0.87 -0.27 2.23 3.38 -1.83 0.48 115.31 122.74 1y44 h LEU 27 Ca 0.05 -0.08 -0.21 0.00 0.09 0.00 0.00 57.88 57.73 1y44 h LEU 27 Cb 1.27 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 1y44 h LEU 27 CO 0.47 0.69 -0.85 -0.08 0.09 0.00 0.00 178.44 178.76 1y44 h GLU 28 N 0.97 0.37 0.16 1.13 4.57 -1.90 -0.09 114.58 119.79 1y44 h GLU 28 Ca 0.25 -0.36 -0.27 0.00 -1.18 0.00 0.00 59.36 57.80 1y44 h GLU 28 Cb 0.00 0.09 0.03 0.00 -0.16 0.00 0.00 28.75 28.72 1y44 h GLU 28 CO -0.04 1.03 -1.14 0.93 -1.18 0.00 0.00 179.01 178.60 1y44 h GLU 29 N 0.23 0.48 0.00 1.92 3.07 -1.87 -3.42 114.58 115.00 1y44 h GLU 29 Ca -0.06 -0.74 0.00 0.00 -0.50 0.00 0.00 59.36 58.06 1y44 h GLU 29 Cb 1.47 0.26 0.00 0.00 -0.84 0.00 0.00 28.75 29.64 1y44 h GLU 29 CO 0.14 1.34 0.00 0.54 -1.40 0.00 0.00 179.01 179.63 1y44 n ARG 30 N -3.91 0.00 -3.22 2.33 1.74 0.16 -5.00 116.66 108.76 1y44 n ARG 30 Ca -0.15 -0.44 -0.23 0.00 -0.77 0.00 0.00 57.85 56.26 1y44 n ARG 30 Cb 0.95 -0.50 0.05 0.00 -1.02 0.00 0.00 32.46 31.94 1y44 n ARG 30 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1y44 n ARG 31 N 0.00 -5.73 -3.93 5.56 1.74 -0.05 -4.94 116.66 109.32 1y44 n ARG 31 Ca 0.00 0.86 -0.10 0.00 -0.77 0.00 0.00 57.85 57.85 1y44 n ARG 31 Cb 0.47 -5.78 -0.02 0.00 -1.02 0.00 0.00 32.46 26.11 1y44 n ARG 31 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1y44 s SER 32 N -2.89 0.12 -0.01 0.55 1.04 -1.09 -4.87 113.70 106.55 1y44 s SER 32 Ca 0.40 -1.06 0.05 0.00 0.48 0.00 0.00 55.95 55.82 1y44 s SER 32 Cb -0.18 0.72 -0.01 0.00 0.10 0.00 0.00 66.02 66.65 1y44 s SER 32 CO 0.49 -1.40 -0.16 -0.69 0.98 0.00 0.00 173.24 172.47 1y44 s VAL 33 N -3.24 1.22 -0.09 5.02 1.01 -0.42 0.12 120.40 124.03 1y44 s VAL 33 Ca 0.20 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.53 1y44 s VAL 33 Cb -0.03 -1.02 -0.02 0.00 0.00 0.00 0.00 36.38 35.31 1y44 s VAL 33 CO 0.12 0.34 -0.17 0.26 0.00 0.00 0.00 175.10 175.65 1y44 s TRP 34 N -0.38 2.67 -0.11 5.22 0.52 -0.31 -1.32 118.94 125.24 1y44 s TRP 34 Ca 0.06 -0.54 -0.04 0.00 0.02 0.00 0.00 56.10 55.60 1y44 s TRP 34 Cb -0.06 -1.71 -0.04 0.00 -1.15 0.00 0.00 33.47 30.51 1y44 s TRP 34 CO -0.01 -0.10 0.04 -0.51 0.02 0.00 0.00 176.95 176.40 1y44 s LEU 35 N -0.11 3.81 -0.34 2.99 1.02 0.17 0.57 118.68 126.78 1y44 s LEU 35 Ca -0.03 0.21 -0.02 0.00 0.02 0.00 0.00 54.13 54.32 1y44 s LEU 35 Cb -0.14 -1.90 0.07 0.00 0.02 0.00 0.00 46.19 44.24 1y44 s LEU 35 CO 0.04 0.36 0.07 -0.36 0.02 0.00 0.00 176.35 176.48 1y44 s PHE 36 N -0.76 3.38 0.19 0.29 0.40 0.12 0.29 117.98 121.89 1y44 s PHE 36 Ca 0.12 -2.04 0.00 0.00 -0.60 0.00 0.00 56.93 54.41 1y44 s PHE 36 Cb -0.12 -2.48 0.00 0.00 0.51 0.00 0.00 43.02 40.94 1y44 s PHE 36 CO 0.03 -0.85 0.00 -0.25 0.70 0.00 0.00 175.22 174.84 1y44 n ASP 37 N 4.61 -2.43 -2.85 1.36 8.00 0.95 -1.87 116.55 124.32 1y44 n ASP 37 Ca -0.09 0.47 -0.10 0.00 0.71 0.00 0.00 54.79 55.77 1y44 n ASP 37 Cb 0.43 -1.47 0.01 0.00 -0.02 0.00 0.00 41.12 40.07 1y44 n ASP 37 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1y44 s GLY 39 N -0.66 1.58 0.38 0.00 0.00 0.24 -0.89 107.32 107.97 1y44 s GLY 39 Ca 0.32 -0.13 -0.27 0.00 0.00 0.00 0.00 44.72 44.64 1y44 s GLY 39 CO -0.16 0.47 1.25 -2.21 0.00 0.00 0.00 173.10 172.44 1y44 n GLU 40 N -4.34 1.96 -1.07 2.90 2.13 -1.26 -2.19 120.64 118.77 1y44 n GLU 40 Ca 0.05 0.69 -0.02 0.00 0.66 0.00 0.00 57.16 58.54 1y44 n GLU 40 Cb 0.55 -2.31 -0.01 0.00 0.27 0.00 0.00 31.44 29.94 1y44 n GLU 40 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1y44 n ALA 41 N 0.04 -0.03 -0.31 4.31 0.00 -1.26 -4.59 120.51 118.66 1y44 n ALA 41 Ca 0.06 0.04 -0.04 0.00 0.00 0.00 0.00 53.44 53.50 1y44 n ALA 41 Cb 0.38 -0.59 0.11 0.00 0.00 0.00 0.00 19.45 19.34 1y44 n ALA 41 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1y44 h THR 42 N 0.00 1.25 0.00 0.00 2.02 -1.76 -1.77 112.91 112.66 1y44 h THR 42 Ca -0.05 -0.65 -0.06 0.00 0.77 0.00 0.00 66.41 66.43 1y44 h THR 42 Cb 0.29 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 1y44 h THR 42 CO 0.07 0.29 -0.27 0.06 0.37 0.00 0.00 175.52 176.04 1y44 h GLN 43 N 1.21 0.00 -0.32 6.66 3.07 -1.87 -2.51 115.11 121.35 1y44 h GLN 43 Ca 0.30 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 58.91 1y44 h GLN 43 Cb 0.05 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.60 1y44 h GLN 43 CO -0.05 0.27 -0.32 0.45 0.09 0.00 0.00 178.83 179.27 1y44 h HIS 44 N 0.00 0.95 0.00 0.06 3.86 -1.76 -2.70 115.15 115.56 1y44 h HIS 44 Ca -0.00 -0.28 0.00 0.00 -1.16 0.00 0.00 60.37 58.92 1y44 h HIS 44 Cb 0.60 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.87 1y44 h HIS 44 CO 0.00 1.06 0.00 1.04 0.86 0.00 0.00 177.93 180.89 1y44 n GLN 45 N -4.19 0.09 0.00 2.45 1.13 -0.74 -3.94 117.38 112.18 1y44 n GLN 45 Ca -0.03 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.03 1y44 n GLN 45 Cb 0.50 -1.46 0.00 0.00 0.11 0.00 0.00 30.24 29.39 1y44 n GLN 45 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1y44 n LEU 47 N 1.40 0.00 -1.51 1.08 4.77 -1.02 -3.94 117.00 117.78 1y44 n LEU 47 Ca 0.00 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.06 1y44 n LEU 47 Cb 0.04 -0.00 0.32 0.00 -2.33 0.00 0.00 43.42 41.46 1y44 n LEU 47 CO 0.00 0.00 0.77 1.41 -1.33 0.00 0.00 177.39 178.24 1y44 n HIS 48 N -0.17 1.45 -4.41 -1.77 8.25 -1.25 -4.93 115.22 112.39 1y44 n HIS 48 Ca 0.00 -0.55 -0.23 0.00 -0.26 0.00 0.00 57.72 56.68 1y44 n HIS 48 Cb 0.00 -0.29 -0.08 0.00 1.12 0.00 0.00 29.99 30.74 1y44 n HIS 48 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1y44 s THR 49 N -2.02 0.31 -1.98 1.59 -4.23 -1.25 -5.03 115.64 103.02 1y44 s THR 49 Ca 0.45 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 59.25 1y44 s THR 49 Cb 0.31 -2.40 0.54 0.00 1.34 0.00 0.00 72.50 72.29 1y44 s THR 49 CO 0.19 0.00 1.85 0.35 -0.54 0.00 0.00 174.62 176.47 1y44 n THR 50 N -0.78 0.00 -2.77 3.99 -2.24 -1.26 -4.85 114.28 106.37 1y44 n THR 50 Ca -0.00 -0.12 -0.42 0.00 -2.27 0.00 0.00 64.05 61.24 1y44 n THR 50 Cb 0.64 0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 68.92 1y44 n THR 50 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1y44 s ILE 51 N -2.25 4.82 0.09 2.28 1.01 -1.26 -5.05 121.20 120.84 1y44 s ILE 51 Ca 0.34 1.87 0.06 0.00 0.00 0.00 0.00 60.65 62.93 1y44 s ILE 51 Cb 0.21 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 1y44 s ILE 51 CO 0.42 -0.00 -0.06 -0.54 0.00 0.00 0.00 174.94 174.76 1y44 s LYS 52 N 2.16 2.31 0.34 2.79 3.01 -1.26 -4.68 119.74 124.41 1y44 s LYS 52 Ca 0.44 -0.94 0.11 0.00 -1.01 0.00 0.00 55.97 54.57 1y44 s LYS 52 Cb -0.17 -2.41 0.89 0.00 -1.01 0.00 0.00 37.83 35.13 1y44 s LYS 52 CO 0.15 0.52 1.78 -1.35 0.51 0.00 0.00 175.35 176.96 1y44 h PRO 53 N 3.57 0.59 -0.35 -1.68 0.11 -1.95 -1.14 132.00 131.14 1y44 h PRO 53 Ca -0.48 -0.04 0.08 0.00 0.11 0.00 0.00 66.00 65.67 1y44 h PRO 53 Cb 1.17 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 1y44 h PRO 53 CO 0.55 0.39 0.25 0.07 -0.21 0.00 0.00 178.00 179.05 1y44 h ARG 54 N 0.61 0.13 0.00 1.05 0.11 -1.94 -1.28 114.38 113.06 1y44 h ARG 54 Ca 0.58 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.65 1y44 h ARG 54 Cb 1.12 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.17 1y44 h ARG 54 CO -0.35 0.08 0.00 0.87 0.10 0.00 0.00 179.97 180.67 1y44 h LYS 55 N 0.13 0.00 -6.25 0.08 1.79 -1.57 -3.44 116.57 107.30 1y44 h LYS 55 Ca 0.16 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 58.08 1y44 h LYS 55 Cb 0.48 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.11 1y44 h LYS 55 CO -0.02 0.00 0.82 0.42 -1.08 0.00 0.00 179.45 179.59 1y44 s ILE 56 N -3.25 4.16 -0.24 1.86 1.01 -0.48 -1.30 121.20 122.96 1y44 s ILE 56 Ca 0.07 1.46 0.05 0.00 0.00 0.00 0.00 60.65 62.23 1y44 s ILE 56 Cb 0.10 -3.94 -0.18 0.00 0.01 0.00 0.00 42.46 38.45 1y44 s ILE 56 CO 0.52 -0.06 -0.16 1.21 0.00 0.00 0.00 174.94 176.45 1y44 n GLU 57 N 5.88 0.66 -3.88 2.79 2.13 -0.43 -4.81 120.64 122.99 1y44 n GLU 57 Ca 0.13 0.11 -0.11 0.00 0.66 0.00 0.00 57.16 57.95 1y44 n GLU 57 Cb 0.45 -1.50 -0.10 0.00 0.27 0.00 0.00 31.44 30.56 1y44 n GLU 57 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1y44 s LYS 58 N -2.50 0.46 -0.07 5.31 1.02 -1.25 -1.64 119.74 121.08 1y44 s LYS 58 Ca -0.29 -0.42 0.00 0.00 0.02 0.00 0.00 55.97 55.28 1y44 s LYS 58 Cb 0.08 0.19 0.02 0.00 -0.52 0.00 0.00 37.83 37.61 1y44 s LYS 58 CO 0.63 -0.11 -0.05 0.42 -0.92 0.00 0.00 175.35 175.32 1y44 s ILE 59 N -1.39 0.68 -0.19 2.17 1.01 -0.56 -0.66 121.20 122.26 1y44 s ILE 59 Ca -0.15 -0.12 -0.04 0.00 0.00 0.00 0.00 60.65 60.34 1y44 s ILE 59 Cb -0.08 -0.73 -0.02 0.00 0.01 0.00 0.00 42.46 41.64 1y44 s ILE 59 CO 0.01 0.29 -0.03 -0.36 0.00 0.00 0.00 174.94 174.86 1y44 s PHE 60 N 1.44 3.00 -0.18 3.97 0.40 0.14 -0.46 117.98 126.29 1y44 s PHE 60 Ca -0.02 -0.56 -0.07 0.00 -0.60 0.00 0.00 56.93 55.68 1y44 s PHE 60 Cb -0.13 -2.05 -0.04 0.00 0.51 0.00 0.00 43.02 41.30 1y44 s PHE 60 CO -0.03 -0.28 0.07 0.42 0.70 0.00 0.00 175.22 176.09 1y44 s ILE 61 N 0.97 4.83 -0.07 0.64 -1.09 0.73 -0.03 121.20 127.18 1y44 s ILE 61 Ca 0.01 -0.02 0.03 0.00 -2.23 0.00 0.00 60.65 58.44 1y44 s ILE 61 Cb -0.14 -3.17 -0.25 0.00 -1.58 0.00 0.00 42.46 37.31 1y44 s ILE 61 CO 0.01 0.47 0.57 0.71 -1.23 0.00 0.00 174.94 175.46 1y44 h THR 62 N 4.83 0.79 0.00 2.92 1.35 -1.88 -3.39 112.91 117.53 1y44 h THR 62 Ca -0.38 -2.57 0.00 0.00 -0.55 0.00 0.00 66.41 62.92 1y44 h THR 62 Cb 1.17 2.50 0.00 0.00 -1.73 0.00 0.00 68.15 70.08 1y44 h THR 62 CO 0.70 0.70 0.00 1.57 -0.25 0.00 0.00 175.52 178.24 1y44 n HIS 63 N -3.27 0.00 0.00 4.73 -0.00 -1.26 -0.92 115.22 114.50 1y44 n HIS 63 Ca -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.49 1y44 n HIS 63 Cb 1.05 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 31.04 1y44 n HIS 63 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1y44 n HIS 65 N 0.00 0.00 -0.30 1.57 8.25 -1.26 -4.72 115.22 118.75 1y44 n HIS 65 Ca 0.00 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.56 1y44 n HIS 65 Cb 0.00 0.00 0.33 0.00 1.12 0.00 0.00 29.99 31.44 1y44 n HIS 65 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1y44 h GLY 66 N 0.00 1.38 0.55 -1.41 0.00 -1.99 0.63 103.07 102.23 1y44 h GLY 66 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1y44 h GLY 66 CO 0.00 0.10 0.00 2.09 0.00 0.00 0.00 176.54 178.73 1y44 n ASP 67 N -4.59 0.00 -0.00 0.19 5.75 -1.26 -2.19 116.55 114.45 1y44 n ASP 67 Ca 0.18 -0.90 0.01 0.00 -0.01 0.00 0.00 54.79 54.07 1y44 n ASP 67 Cb 0.44 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.51 1y44 n ASP 67 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1y44 n HIS 68 N -0.78 0.00 0.00 2.11 8.25 0.19 -3.32 115.22 121.68 1y44 n HIS 68 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 1y44 n HIS 68 Cb 0.04 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.14 1y44 n HIS 68 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1y44 n VAL 69 N -1.16 0.00 0.00 1.59 0.24 -0.98 0.17 118.33 118.19 1y44 n VAL 69 Ca 0.00 -0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 1y44 n VAL 69 Cb 0.04 0.27 0.00 0.00 -1.47 0.00 0.00 33.84 32.68 1y44 n VAL 69 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1y44 n TYR 70 N -0.39 0.00 1.05 6.34 4.01 -0.93 -0.92 117.16 126.32 1y44 n TYR 70 Ca 0.00 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.86 1y44 n TYR 70 Cb 0.00 -0.37 0.17 0.00 -0.31 0.00 0.00 39.34 38.83 1y44 n TYR 70 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1y44 n GLY 71 N -1.37 -0.95 0.23 2.72 0.00 -0.07 -4.45 105.19 101.30 1y44 n GLY 71 Ca 0.00 -0.44 -0.15 0.00 0.00 0.00 0.00 46.02 45.43 1y44 n GLY 71 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1y44 h LEU 72 N 0.46 -0.43 -0.31 0.99 3.38 -1.07 -1.99 115.31 116.34 1y44 h LEU 72 Ca 0.00 -0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.00 1y44 h LEU 72 Cb 0.52 0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.32 1y44 h LEU 72 CO 0.00 -0.25 -0.09 -0.65 0.09 0.00 0.00 178.44 177.55 1y44 h PRO 73 N -0.58 -0.01 -0.53 1.13 0.11 -1.78 -0.10 132.00 130.22 1y44 h PRO 73 Ca -0.05 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.08 1y44 h PRO 73 Cb 0.44 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.51 1y44 h PRO 73 CO 0.09 -0.01 0.32 0.78 -0.21 0.00 0.00 178.00 178.97 1y44 h GLY 74 N -0.01 0.76 0.90 -0.55 0.00 -1.83 -0.37 103.07 101.97 1y44 h GLY 74 Ca 0.15 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 1y44 h GLY 74 CO -0.33 0.21 0.10 -2.00 0.00 0.00 0.00 176.54 174.52 1y44 h LEU 75 N 0.64 0.41 -1.01 3.11 5.85 -0.79 0.53 115.31 124.05 1y44 h LEU 75 Ca 0.21 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1y44 h LEU 75 Cb 0.01 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 1y44 h LEU 75 CO -0.09 0.49 0.48 -0.07 -0.34 0.00 0.00 178.44 178.91 1y44 h LEU 76 N 0.30 1.05 -0.24 2.25 3.38 -0.82 -1.69 115.31 119.54 1y44 h LEU 76 Ca 0.09 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1y44 h LEU 76 Cb 0.22 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1y44 h LEU 76 CO -0.00 0.83 -0.05 1.23 0.09 0.00 0.00 178.44 180.54 1y44 h GLY 77 N 1.20 0.49 1.28 0.83 0.00 -0.75 -2.75 103.07 103.37 1y44 h GLY 77 Ca 0.30 -0.40 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 1y44 h GLY 77 CO -0.05 0.36 0.27 1.76 0.00 0.00 0.00 176.54 178.88 1y44 h SER 78 N 0.20 0.84 -0.51 0.19 0.02 -0.63 0.26 113.55 113.92 1y44 h SER 78 Ca 0.06 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 1y44 h SER 78 Cb 0.50 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.79 1y44 h SER 78 CO 0.02 0.74 0.28 -0.09 -1.14 0.00 0.00 176.83 176.64 1y44 h ARG 79 N 0.91 0.74 -0.02 3.45 2.43 -1.23 0.71 114.38 121.37 1y44 h ARG 79 Ca 0.22 -0.08 -0.15 0.00 -0.81 0.00 0.00 59.98 59.16 1y44 h ARG 79 Cb 0.16 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1y44 h ARG 79 CO -0.02 0.56 -0.58 1.03 -1.51 0.00 0.00 179.97 179.45 1y44 h SER 80 N 0.75 0.55 -0.59 -3.80 0.87 -1.06 -0.72 113.55 109.55 1y44 h SER 80 Ca 0.19 -0.73 0.04 0.00 -1.23 0.00 0.00 61.79 60.06 1y44 h SER 80 Cb 0.04 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 61.80 1y44 h SER 80 CO -0.03 1.21 0.39 0.15 -0.53 0.00 0.00 176.83 178.02 1y44 h PHE 81 N -0.05 0.63 -0.05 2.24 3.04 -0.52 -1.37 116.94 120.86 1y44 h PHE 81 Ca -0.07 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.90 1y44 h PHE 81 Cb 1.28 -0.21 0.00 0.00 2.56 0.00 0.00 35.95 39.58 1y44 h PHE 81 CO 0.14 0.36 0.00 1.04 -2.02 0.00 0.00 178.31 177.83 1y44 n GLN 82 N -4.47 1.33 -1.14 1.11 6.02 0.20 -4.93 117.38 115.51 1y44 n GLN 82 Ca 0.07 -0.49 0.00 0.00 -0.01 0.00 0.00 57.00 56.57 1y44 n GLN 82 Cb 0.17 -1.40 0.00 0.00 1.02 0.00 0.00 30.24 30.04 1y44 n GLN 82 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1y44 n GLY 83 N 1.00 0.42 3.76 1.08 0.00 -0.52 -5.02 105.19 105.91 1y44 n GLY 83 Ca 0.17 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.78 1y44 n GLY 83 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1y44 s GLY 84 N -2.95 2.71 0.00 -0.02 0.00 -0.29 -4.92 107.32 101.86 1y44 s GLY 84 Ca 0.00 1.24 0.00 0.00 0.00 0.00 0.00 44.72 45.96 1y44 s GLY 84 CO 0.00 2.03 0.02 1.18 0.00 0.00 0.00 173.10 176.33 1y44 n GLU 85 N 1.60 6.45 -2.52 2.90 1.02 -1.26 -3.90 120.64 124.93 1y44 n GLU 85 Ca 0.03 -0.02 -0.34 0.00 -0.02 0.00 0.00 57.16 56.81 1y44 n GLU 85 Cb 0.42 -0.50 -0.03 0.00 -0.02 0.00 0.00 31.44 31.30 1y44 n GLU 85 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1y44 s ASP 86 N -0.93 6.34 0.54 1.62 1.01 -1.26 -4.35 116.67 119.65 1y44 s ASP 86 Ca 0.00 1.89 -0.21 0.00 0.71 0.00 0.00 52.55 54.94 1y44 s ASP 86 Cb 0.00 -2.56 -0.05 0.00 1.01 0.00 0.00 42.92 41.32 1y44 s ASP 86 CO 0.00 -0.78 1.27 -0.70 0.21 0.00 0.00 175.17 175.17 1y44 s GLU 87 N -3.32 3.25 -0.03 8.23 2.12 -1.26 -4.44 118.70 123.25 1y44 s GLU 87 Ca 0.66 2.02 0.02 0.00 0.36 0.00 0.00 54.97 58.03 1y44 s GLU 87 Cb -0.16 -2.21 0.01 0.00 0.26 0.00 0.00 34.13 32.03 1y44 s GLU 87 CO 0.21 -1.03 -0.06 -1.17 -0.54 0.00 0.00 175.26 172.66 1y44 s LEU 88 N -3.53 1.64 -0.06 2.70 0.20 -0.85 -4.76 118.68 114.03 1y44 s LEU 88 Ca 0.71 -0.14 0.05 0.00 0.69 0.00 0.00 54.13 55.44 1y44 s LEU 88 Cb -0.35 -0.45 -0.02 0.00 -0.43 0.00 0.00 46.19 44.94 1y44 s LEU 88 CO 0.41 0.02 -0.22 -0.89 -0.29 0.00 0.00 176.35 175.38 1y44 s THR 89 N 0.43 2.38 -0.12 3.68 2.01 -0.65 -1.39 115.64 121.98 1y44 s THR 89 Ca -0.06 -0.96 -0.01 0.00 0.31 0.00 0.00 61.69 60.97 1y44 s THR 89 Cb -0.10 -1.89 -0.02 0.00 0.01 0.00 0.00 72.50 70.50 1y44 s THR 89 CO 0.00 0.57 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.72 1y44 s VAL 90 N -0.32 3.44 -0.06 3.82 1.01 0.26 -1.49 120.40 127.07 1y44 s VAL 90 Ca 0.01 -0.53 0.05 0.00 0.00 0.00 0.00 61.98 61.51 1y44 s VAL 90 Cb -0.13 -2.45 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 1y44 s VAL 90 CO 0.02 0.53 -0.20 -0.31 0.00 0.00 0.00 175.10 175.15 1y44 s TYR 91 N 0.06 2.57 0.09 5.22 1.51 0.39 -0.33 117.35 126.86 1y44 s TYR 91 Ca -0.03 -0.47 -0.26 0.00 -1.01 0.00 0.00 57.07 55.30 1y44 s TYR 91 Cb -0.14 -1.63 0.09 0.00 -0.11 0.00 0.00 41.96 40.17 1y44 s TYR 91 CO 0.04 -0.05 1.11 0.20 -1.11 0.00 0.00 175.55 175.73 1y44 s GLY 92 N -0.35 -0.22 0.75 0.71 0.00 -0.54 -0.19 107.32 107.47 1y44 s GLY 92 Ca 0.03 0.22 -0.11 0.00 0.00 0.00 0.00 44.72 44.86 1y44 s GLY 92 CO 0.02 0.83 1.09 -4.14 0.00 0.00 0.00 173.10 170.90 1y44 s PRO 93 N -2.72 2.35 0.13 2.90 0.02 -1.26 -1.31 135.00 135.10 1y44 s PRO 93 Ca 0.16 1.19 -0.35 0.00 0.02 0.00 0.00 61.00 62.02 1y44 s PRO 93 Cb 0.01 -1.91 -0.17 0.00 0.02 0.00 0.00 34.50 32.45 1y44 s PRO 93 CO 0.01 -1.57 1.16 1.63 -0.33 0.00 0.00 177.00 177.89 1y44 n LYS 94 N -3.36 0.92 0.00 5.54 4.76 -1.26 -2.05 118.16 122.72 1y44 n LYS 94 Ca 0.09 0.33 0.00 0.00 -2.87 0.00 0.00 58.31 55.86 1y44 n LYS 94 Cb 0.53 -1.84 0.00 0.00 -1.84 0.00 0.00 35.03 31.88 1y44 n LYS 94 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1y44 n GLY 95 N 2.08 2.50 0.22 0.72 0.00 -1.26 -4.94 105.19 104.50 1y44 n GLY 95 Ca 0.17 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.15 1y44 n GLY 95 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1y44 h ILE 96 N 0.00 1.29 0.62 -0.61 6.09 -1.74 -1.53 117.51 121.63 1y44 h ILE 96 Ca 0.00 -1.44 -0.03 0.00 -1.37 0.00 0.00 64.86 62.02 1y44 h ILE 96 Cb 0.00 1.54 0.01 0.00 0.47 0.00 0.00 36.82 38.83 1y44 h ILE 96 CO 0.00 0.45 -0.30 0.50 -3.07 0.00 0.00 178.15 175.73 1y44 h LYS 97 N 0.34 -0.80 -0.49 2.19 1.63 -1.92 -1.86 116.57 115.67 1y44 h LYS 97 Ca 0.04 0.05 0.05 0.00 -0.85 0.00 0.00 60.65 59.95 1y44 h LYS 97 Cb 0.79 0.18 -0.05 0.00 -0.60 0.00 0.00 32.23 32.55 1y44 h LYS 97 CO 0.06 -0.49 0.21 0.00 -3.45 0.00 0.00 179.45 175.78 1y44 h ALA 98 N -0.62 0.61 -0.17 5.00 0.00 -1.97 0.21 119.26 122.32 1y44 h ALA 98 Ca -0.08 0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.91 1y44 h ALA 98 Cb 0.67 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 1y44 h ALA 98 CO 0.14 -0.16 -0.09 0.35 0.00 0.00 0.00 179.25 179.49 1y44 h PHE 99 N 0.42 -0.21 0.13 0.00 3.57 -1.23 -0.71 116.94 118.91 1y44 h PHE 99 Ca 0.22 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 1y44 h PHE 99 Cb 0.18 0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.04 1y44 h PHE 99 CO -0.13 -0.14 -0.06 0.82 -2.23 0.00 0.00 178.31 176.57 1y44 h ILE 100 N -0.08 1.06 -0.97 1.41 2.04 -0.93 -2.54 117.51 117.49 1y44 h ILE 100 Ca 0.09 -0.91 0.01 0.00 1.00 0.00 0.00 64.86 65.06 1y44 h ILE 100 Cb 0.22 1.61 -0.05 0.00 -0.74 0.00 0.00 36.82 37.85 1y44 h ILE 100 CO -0.22 0.21 0.65 -0.33 0.00 0.00 0.00 178.15 178.46 1y44 h GLU 101 N -0.61 1.28 -0.43 2.37 5.08 -0.56 -1.46 114.58 120.25 1y44 h GLU 101 Ca -0.02 -0.08 -0.14 0.00 -1.00 0.00 0.00 59.36 58.13 1y44 h GLU 101 Cb 0.47 -0.29 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1y44 h GLU 101 CO 0.03 0.85 -0.28 1.15 -1.00 0.00 0.00 179.01 179.76 1y44 h THR 102 N 1.32 1.27 0.06 1.13 2.02 -1.20 -1.42 112.91 116.09 1y44 h THR 102 Ca 0.36 -1.44 -0.00 0.00 0.77 0.00 0.00 66.41 66.09 1y44 h THR 102 Cb -0.14 1.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1y44 h THR 102 CO -0.08 0.49 -0.03 0.28 0.37 0.00 0.00 175.52 176.55 1y44 h SER 103 N 0.80 -0.07 -0.29 4.18 0.02 -1.00 -1.25 113.55 115.93 1y44 h SER 103 Ca 0.09 -0.14 -0.05 0.00 -0.84 0.00 0.00 61.79 60.85 1y44 h SER 103 Cb 0.85 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.39 1y44 h SER 103 CO 0.08 0.10 0.04 -0.07 -1.14 0.00 0.00 176.83 175.84 1y44 h LEU 104 N -0.24 0.55 0.03 5.07 3.38 -1.29 -2.63 115.31 120.18 1y44 h LEU 104 Ca -0.01 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1y44 h LEU 104 Cb 0.21 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1y44 h LEU 104 CO 0.01 0.60 -0.01 0.00 0.09 0.00 0.00 178.44 179.13 1y44 h ALA 105 N 1.48 -0.03 0.00 1.53 0.00 -1.06 -0.66 119.26 120.52 1y44 h ALA 105 Ca 0.13 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1y44 h ALA 105 Cb 0.30 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1y44 h ALA 105 CO 0.01 -0.31 -0.10 -0.39 0.00 0.00 0.00 179.25 178.45 1y44 h VAL 106 N -0.45 0.34 -0.39 0.00 -1.51 -1.19 -1.93 116.25 111.12 1y44 h VAL 106 Ca -0.00 -0.65 0.00 0.00 -1.23 0.00 0.00 66.70 64.82 1y44 h VAL 106 Cb 0.42 1.48 0.00 0.00 -2.13 0.00 0.00 31.29 31.06 1y44 h VAL 106 CO 0.01 0.10 0.00 0.35 -1.23 0.00 0.00 177.57 176.80 1y44 n THR 107 N -3.35 0.51 -3.79 7.19 -2.24 -1.00 -4.93 114.28 106.68 1y44 n THR 107 Ca -0.01 -0.60 -0.29 0.00 -2.27 0.00 0.00 64.05 60.88 1y44 n THR 107 Cb 0.30 0.48 0.02 0.00 -2.10 0.00 0.00 70.33 69.03 1y44 n THR 107 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1y44 n LYS 108 N 0.91 -5.08 -2.92 -0.78 4.76 -0.73 -4.94 118.16 109.39 1y44 n LYS 108 Ca 0.17 0.59 -0.41 0.00 -2.87 0.00 0.00 58.31 55.79 1y44 n LYS 108 Cb 0.44 -5.45 -0.04 0.00 -1.84 0.00 0.00 35.03 28.13 1y44 n LYS 108 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1y44 s THR 109 N -3.23 4.95 -0.36 -0.18 2.01 -0.28 -5.03 115.64 113.53 1y44 s THR 109 Ca 0.61 1.65 0.00 0.00 0.31 0.00 0.00 61.69 64.26 1y44 s THR 109 Cb -0.31 -4.14 0.10 0.00 0.01 0.00 0.00 72.50 68.16 1y44 s THR 109 CO 0.75 0.15 0.10 -1.00 -0.69 0.00 0.00 174.62 173.93 1y44 s HIS 110 N 1.31 3.61 0.30 4.92 3.76 -1.26 -4.78 115.29 123.14 1y44 s HIS 110 Ca 0.41 -2.59 -0.30 0.00 -0.15 0.00 0.00 55.06 52.43 1y44 s HIS 110 Cb -0.18 -2.90 -0.11 0.00 1.11 0.00 0.00 32.58 30.50 1y44 s HIS 110 CO 0.18 -0.94 1.54 -0.51 -0.85 0.00 0.00 174.74 174.16 1y44 s LEU 111 N 1.05 4.35 0.00 0.89 1.02 -1.26 -4.91 118.68 119.83 1y44 s LEU 111 Ca 0.07 2.90 0.14 0.00 0.02 0.00 0.00 54.13 57.26 1y44 s LEU 111 Cb -0.21 -3.64 0.66 0.00 0.02 0.00 0.00 46.19 43.03 1y44 s LEU 111 CO -0.05 -0.85 1.46 0.35 0.02 0.00 0.00 176.35 177.27 1y44 n THR 112 N 1.89 0.14 -4.04 5.49 -2.24 -1.26 -4.86 114.28 109.40 1y44 n THR 112 Ca 0.06 -0.18 -0.09 0.00 -2.27 0.00 0.00 64.05 61.58 1y44 n THR 112 Cb 0.38 0.05 -0.09 0.00 -2.10 0.00 0.00 70.33 68.57 1y44 n THR 112 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 1y44 s TYR 113 N -1.86 0.53 0.25 4.78 -0.85 -1.25 -4.48 117.35 114.47 1y44 s TYR 113 Ca 0.23 -0.97 -0.30 0.00 -0.52 0.00 0.00 57.07 55.51 1y44 s TYR 113 Cb 0.12 -0.29 -0.09 0.00 0.38 0.00 0.00 41.96 42.07 1y44 s TYR 113 CO 0.18 -0.51 1.17 -2.14 -1.52 0.00 0.00 175.55 172.73 1y44 s PRO 114 N -3.96 4.53 -0.16 -3.49 0.02 -1.26 -4.97 135.00 125.72 1y44 s PRO 114 Ca 0.14 1.90 0.00 0.00 0.02 0.00 0.00 61.00 63.06 1y44 s PRO 114 Cb 0.06 -3.19 0.03 0.00 0.02 0.00 0.00 34.50 31.42 1y44 s PRO 114 CO -0.05 0.02 -0.12 -1.17 -0.33 0.00 0.00 177.00 175.35 1y44 s LEU 115 N -0.97 1.78 -0.10 -5.54 2.96 -1.26 -2.00 118.68 113.55 1y44 s LEU 115 Ca 0.49 -0.58 -0.02 0.00 -0.22 0.00 0.00 54.13 53.80 1y44 s LEU 115 Cb -0.33 -1.15 -0.03 0.00 0.50 0.00 0.00 46.19 45.18 1y44 s LEU 115 CO 0.41 -0.09 -0.03 0.00 -1.32 0.00 0.00 176.35 175.32 1y44 s ALA 116 N 1.49 3.13 -0.10 5.97 0.00 -0.49 -5.00 121.76 126.77 1y44 s ALA 116 Ca 0.03 -0.83 0.02 0.00 0.00 0.00 0.00 51.96 51.18 1y44 s ALA 116 Cb -0.14 -1.43 0.01 0.00 0.00 0.00 0.00 23.12 21.56 1y44 s ALA 116 CO -0.10 0.49 -0.16 0.42 0.00 0.00 0.00 175.76 176.41 1y44 s ILE 117 N -0.55 1.49 -0.20 0.00 1.01 -1.26 -0.57 121.20 121.12 1y44 s ILE 117 Ca 0.09 -0.66 0.01 0.00 0.00 0.00 0.00 60.65 60.10 1y44 s ILE 117 Cb -0.12 -1.34 0.03 0.00 0.01 0.00 0.00 42.46 41.04 1y44 s ILE 117 CO 0.02 0.44 -0.17 -1.10 0.00 0.00 0.00 174.94 174.12 1y44 s GLN 118 N 0.81 2.75 -0.55 2.79 -1.52 0.55 -4.96 119.66 119.53 1y44 s GLN 118 Ca -0.11 -0.95 -0.23 0.00 -1.95 0.00 0.00 55.36 52.13 1y44 s GLN 118 Cb -0.16 -2.63 0.05 0.00 -0.22 0.00 0.00 33.01 30.05 1y44 s GLN 118 CO 0.01 -0.31 0.87 -1.21 -0.25 0.00 0.00 175.29 174.40 1y44 s GLU 119 N 1.25 3.27 0.72 2.91 2.02 -1.26 -1.47 118.70 126.14 1y44 s GLU 119 Ca 0.01 -0.44 -0.11 0.00 0.02 0.00 0.00 54.97 54.45 1y44 s GLU 119 Cb -0.15 -4.07 0.02 0.00 0.10 0.00 0.00 34.13 30.03 1y44 s GLU 119 CO -0.11 -1.44 1.07 0.96 0.02 0.00 0.00 175.26 175.77 1y44 s ILE 120 N 3.63 3.75 0.07 -1.63 -4.36 -0.43 -4.92 121.20 117.32 1y44 s ILE 120 Ca 0.26 0.57 0.01 0.00 -0.26 0.00 0.00 60.65 61.23 1y44 s ILE 120 Cb -0.14 -3.38 -0.04 0.00 1.25 0.00 0.00 42.46 40.15 1y44 s ILE 120 CO 0.17 -0.74 -0.06 -1.61 0.24 0.00 0.00 174.94 172.94 1y44 s GLU 121 N -5.14 0.70 0.18 0.37 2.02 -1.26 -4.69 118.70 110.88 1y44 s GLU 121 Ca 0.58 -1.18 -0.33 0.00 0.02 0.00 0.00 54.97 54.06 1y44 s GLU 121 Cb -0.13 -0.08 -0.15 0.00 0.10 0.00 0.00 34.13 33.87 1y44 s GLU 121 CO 0.54 -0.04 1.34 -1.91 0.02 0.00 0.00 175.26 175.22 1y44 n GLU 122 N 0.30 1.62 0.00 1.61 2.13 -1.26 -4.73 120.64 120.31 1y44 n GLU 122 Ca -0.15 0.58 0.00 0.00 0.66 0.00 0.00 57.16 58.25 1y44 n GLU 122 Cb 0.60 -2.20 0.00 0.00 0.27 0.00 0.00 31.44 30.11 1y44 n GLU 122 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1y44 n GLY 123 N 2.36 0.89 3.65 8.31 0.00 -0.12 -4.98 105.19 115.29 1y44 n GLY 123 Ca 0.15 -1.97 -0.43 0.00 0.00 0.00 0.00 46.02 43.77 1y44 n GLY 123 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y44 s ILE 124 N -2.28 4.48 -0.60 -0.61 1.01 -1.26 -0.56 121.20 121.38 1y44 s ILE 124 Ca 0.00 1.75 0.22 0.00 0.00 0.00 0.00 60.65 62.62 1y44 s ILE 124 Cb 0.00 -4.27 -0.24 0.00 0.01 0.00 0.00 42.46 37.96 1y44 s ILE 124 CO 0.00 -0.31 0.79 1.33 0.00 0.00 0.00 174.94 176.75 1y44 n VAL 125 N 5.62 0.03 -3.63 2.92 0.24 -0.08 -4.96 118.33 118.48 1y44 n VAL 125 Ca 0.13 -0.22 -0.12 0.00 -2.04 0.00 0.00 64.34 62.09 1y44 n VAL 125 Cb 0.46 0.50 -0.07 0.00 -1.47 0.00 0.00 33.84 33.26 1y44 n VAL 125 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 1y44 s PHE 126 N -3.21 -0.67 -0.27 6.34 5.36 -1.17 -5.00 117.98 119.35 1y44 s PHE 126 Ca 0.02 1.62 -0.24 0.00 -0.96 0.00 0.00 56.93 57.37 1y44 s PHE 126 Cb 0.15 0.31 0.08 0.00 -0.34 0.00 0.00 43.02 43.22 1y44 s PHE 126 CO 0.87 -0.33 0.79 -2.00 -1.46 0.00 0.00 175.22 173.08 1y44 s GLU 127 N 0.28 0.75 0.00 10.12 2.12 -1.26 -0.39 118.70 130.31 1y44 s GLU 127 Ca 0.01 0.94 0.00 0.00 0.36 0.00 0.00 54.97 56.27 1y44 s GLU 127 Cb -0.05 0.34 0.00 0.00 0.26 0.00 0.00 34.13 34.68 1y44 s GLU 127 CO -0.01 -0.10 0.00 -0.40 -0.54 0.00 0.00 175.26 174.21 1y44 n ASP 128 N 2.79 0.00 0.00 -1.70 5.68 -0.63 -5.02 116.55 117.67 1y44 n ASP 128 Ca -0.14 -0.90 0.10 0.00 -0.50 0.00 0.00 54.79 53.35 1y44 n ASP 128 Cb 0.56 0.00 0.55 0.00 -1.14 0.00 0.00 41.12 41.08 1y44 n ASP 128 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1y44 n ASP 129 N -2.27 0.00 -0.05 -1.12 8.00 -1.26 -3.73 116.55 116.12 1y44 n ASP 129 Ca 0.00 -0.21 -0.05 0.00 0.71 0.00 0.00 54.79 55.24 1y44 n ASP 129 Cb 0.00 -0.20 -0.06 0.00 -0.02 0.00 0.00 41.12 40.85 1y44 n ASP 129 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 1y44 n GLN 130 N -1.20 1.52 -4.09 -1.24 7.27 -1.26 -4.86 117.38 113.52 1y44 n GLN 130 Ca 0.12 0.03 -0.09 0.00 0.07 0.00 0.00 57.00 57.12 1y44 n GLN 130 Cb 0.13 -1.21 -0.10 0.00 2.41 0.00 0.00 30.24 31.48 1y44 n GLN 130 CO 0.00 0.00 0.00 -0.06 0.07 0.00 0.00 177.06 177.07 1y44 s PHE 131 N -2.20 0.58 -0.07 3.69 0.08 -1.24 -0.52 117.98 118.30 1y44 s PHE 131 Ca -0.09 -0.88 -0.03 0.00 0.12 0.00 0.00 56.93 56.05 1y44 s PHE 131 Cb 0.03 -0.39 0.04 0.00 -0.57 0.00 0.00 43.02 42.13 1y44 s PHE 131 CO 0.28 -0.26 0.13 -1.50 -0.10 0.00 0.00 175.22 173.77 1y44 s ILE 132 N -3.18 -0.19 -0.18 0.64 2.07 0.01 -1.60 121.20 118.76 1y44 s ILE 132 Ca 0.03 0.35 -0.04 0.00 -1.41 0.00 0.00 60.65 59.57 1y44 s ILE 132 Cb 0.02 -0.24 -0.02 0.00 0.13 0.00 0.00 42.46 42.35 1y44 s ILE 132 CO -0.06 0.14 -0.03 -0.69 -1.91 0.00 0.00 174.94 172.40 1y44 s VAL 133 N 2.07 3.82 0.02 4.00 1.01 0.47 -0.90 120.40 130.89 1y44 s VAL 133 Ca 0.01 -0.37 0.07 0.00 0.00 0.00 0.00 61.98 61.70 1y44 s VAL 133 Cb -0.12 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.53 1y44 s VAL 133 CO -0.05 0.46 -0.20 0.42 0.00 0.00 0.00 175.10 175.73 1y44 s THR 134 N 0.78 2.64 -0.03 3.92 -4.23 -0.61 -0.90 115.64 117.21 1y44 s THR 134 Ca -0.01 -1.13 0.06 0.00 -1.18 0.00 0.00 61.69 59.43 1y44 s THR 134 Cb -0.14 -2.07 -0.02 0.00 1.34 0.00 0.00 72.50 71.61 1y44 s THR 134 CO 0.02 0.41 -0.20 0.00 -0.54 0.00 0.00 174.62 174.32 1y44 s ALA 135 N -0.84 2.45 -0.01 3.99 0.00 0.28 -0.87 121.76 126.76 1y44 s ALA 135 Ca 0.13 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 51.05 1y44 s ALA 135 Cb -0.10 -0.77 -0.00 0.00 0.00 0.00 0.00 23.12 22.25 1y44 s ALA 135 CO 0.03 0.55 -0.05 0.08 0.00 0.00 0.00 175.76 176.36 1y44 s VAL 136 N -0.70 0.44 -0.35 0.00 1.01 -0.36 -0.95 120.40 119.49 1y44 s VAL 136 Ca 0.11 -0.22 -0.29 0.00 0.00 0.00 0.00 61.98 61.58 1y44 s VAL 136 Cb -0.10 -0.39 -0.00 0.00 0.00 0.00 0.00 36.38 35.88 1y44 s VAL 136 CO 0.00 0.13 1.55 -0.44 0.00 0.00 0.00 175.10 176.35 1y44 s SER 137 N -0.02 6.22 -0.08 3.32 0.01 -1.26 -0.94 113.70 120.94 1y44 s SER 137 Ca 0.01 1.10 -0.13 0.00 1.31 0.00 0.00 55.95 58.24 1y44 s SER 137 Cb -0.03 -2.53 -0.10 0.00 0.21 0.00 0.00 66.02 63.56 1y44 s SER 137 CO -0.00 -1.47 0.46 -0.37 0.41 0.00 0.00 173.24 172.27 1y44 h VAL 138 N 6.50 0.53 -3.51 3.43 -1.51 -1.89 -3.44 116.25 116.36 1y44 h VAL 138 Ca -0.30 -1.20 -0.61 0.00 -1.23 0.00 0.00 66.70 63.36 1y44 h VAL 138 Cb 1.13 0.96 -0.12 0.00 -2.13 0.00 0.00 31.29 31.13 1y44 h VAL 138 CO 1.05 0.16 -0.23 -0.63 -1.23 0.00 0.00 177.57 176.70 1y44 s ILE 139 N -2.44 5.21 0.01 7.19 -1.09 -1.26 -4.77 121.20 124.04 1y44 s ILE 139 Ca -0.08 0.64 -0.01 0.00 -2.23 0.00 0.00 60.65 58.97 1y44 s ILE 139 Cb -0.00 -3.70 -0.00 0.00 -1.58 0.00 0.00 42.46 37.17 1y44 s ILE 139 CO 0.28 0.25 0.28 1.41 -1.23 0.00 0.00 174.94 175.94 1y44 n HIS 140 N 4.55 -0.02 -1.59 3.97 8.25 -1.26 -0.78 115.22 128.34 1y44 n HIS 140 Ca -0.09 0.05 -0.33 0.00 -0.26 0.00 0.00 57.72 57.09 1y44 n HIS 140 Cb 0.51 -0.19 0.06 0.00 1.12 0.00 0.00 29.99 31.49 1y44 n HIS 140 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1y44 n GLY 141 N -1.01 5.95 3.37 -1.41 0.00 -1.26 -4.98 105.19 105.85 1y44 n GLY 141 Ca 0.00 -2.42 -0.31 0.00 0.00 0.00 0.00 46.02 43.29 1y44 n GLY 141 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y44 s VAL 142 N -4.84 2.35 -0.28 1.61 0.11 0.04 -5.01 120.40 114.38 1y44 s VAL 142 Ca 0.60 -1.22 -0.02 0.00 -2.93 0.00 0.00 61.98 58.41 1y44 s VAL 142 Cb 0.48 -1.91 0.12 0.00 -1.53 0.00 0.00 36.38 33.53 1y44 s VAL 142 CO -0.06 0.43 2.29 1.21 -3.33 0.00 0.00 175.10 175.64 1y44 n GLU 143 N 1.93 1.83 -4.32 1.54 4.07 -1.26 -4.77 120.64 119.66 1y44 n GLU 143 Ca -0.17 -1.46 -0.26 0.00 -0.06 0.00 0.00 57.16 55.21 1y44 n GLU 143 Cb 0.52 -1.66 -0.09 0.00 -0.06 0.00 0.00 31.44 30.14 1y44 n GLU 143 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1y44 s ALA 144 N -1.34 2.93 0.02 4.31 0.00 -1.26 -4.75 121.76 121.66 1y44 s ALA 144 Ca 0.35 -1.57 0.03 0.00 0.00 0.00 0.00 51.96 50.77 1y44 s ALA 144 Cb 0.24 -0.66 -0.01 0.00 0.00 0.00 0.00 23.12 22.69 1y44 s ALA 144 CO -0.05 0.40 -0.10 -0.06 0.00 0.00 0.00 175.76 175.96 1y44 s PHE 145 N -1.92 0.84 0.12 0.00 0.08 -0.10 -3.76 117.98 113.24 1y44 s PHE 145 Ca 0.26 -0.27 0.03 0.00 0.12 0.00 0.00 56.93 57.07 1y44 s PHE 145 Cb -0.08 -0.51 -0.04 0.00 -0.57 0.00 0.00 43.02 41.82 1y44 s PHE 145 CO 0.16 -0.01 0.17 0.20 -0.10 0.00 0.00 175.22 175.64 1y44 s GLY 146 N -0.76 1.88 0.02 4.36 0.00 -0.12 -4.31 107.32 108.39 1y44 s GLY 146 Ca -0.00 -1.05 0.06 0.00 0.00 0.00 0.00 44.72 43.72 1y44 s GLY 146 CO 0.00 -1.04 -0.16 -0.19 0.00 0.00 0.00 173.10 171.71 1y44 s TYR 147 N -1.61 1.45 -0.21 1.90 2.02 0.45 -1.22 117.35 120.13 1y44 s TYR 147 Ca 0.32 -0.33 0.01 0.00 -0.37 0.00 0.00 57.07 56.71 1y44 s TYR 147 Cb -0.11 -0.88 0.04 0.00 -0.40 0.00 0.00 41.96 40.60 1y44 s TYR 147 CO 0.25 0.03 -0.13 0.50 -1.57 0.00 0.00 175.55 174.63 1y44 s ARG 148 N -0.90 2.35 -0.38 -0.62 3.52 -0.05 -0.17 118.95 122.70 1y44 s ARG 148 Ca 0.05 -0.94 -0.19 0.00 -0.13 0.00 0.00 55.73 54.51 1y44 s ARG 148 Cb -0.08 -2.55 0.01 0.00 -1.56 0.00 0.00 34.95 30.77 1y44 s ARG 148 CO 0.01 -0.39 0.57 0.08 -0.81 0.00 0.00 175.30 174.75 1y44 s VAL 149 N 1.30 4.95 -0.25 7.11 1.01 -0.00 -1.57 120.40 132.95 1y44 s VAL 149 Ca -0.01 0.27 -0.04 0.00 0.00 0.00 0.00 61.98 62.20 1y44 s VAL 149 Cb -0.16 -4.06 0.01 0.00 0.00 0.00 0.00 36.38 32.17 1y44 s VAL 149 CO -0.09 -0.36 -0.01 -1.58 0.00 0.00 0.00 175.10 173.06 1y44 s GLN 150 N 2.55 3.08 0.04 2.72 2.00 -0.08 -1.99 119.66 127.98 1y44 s GLN 150 Ca 0.20 -0.83 -0.30 0.00 -2.00 0.00 0.00 55.36 52.43 1y44 s GLN 150 Cb -0.15 -3.11 -0.04 0.00 0.80 0.00 0.00 33.01 30.51 1y44 s GLN 150 CO 0.15 -0.35 0.97 -2.00 -0.50 0.00 0.00 175.29 173.57 1y44 s GLU 151 N 1.42 4.61 0.51 1.67 2.12 -0.04 -0.81 118.70 128.18 1y44 s GLU 151 Ca 0.03 1.43 -0.17 0.00 0.36 0.00 0.00 54.97 56.61 1y44 s GLU 151 Cb -0.16 -3.43 -0.08 0.00 0.26 0.00 0.00 34.13 30.72 1y44 s GLU 151 CO -0.02 0.04 0.99 0.15 -0.54 0.00 0.00 175.26 175.88 1y44 s LYS 152 N 0.66 3.94 0.24 4.30 1.02 0.32 -3.96 119.74 126.27 1y44 s LYS 152 Ca 0.50 1.00 -0.31 0.00 0.02 0.00 0.00 55.97 57.19 1y44 s LYS 152 Cb -0.22 -2.13 -0.13 0.00 -0.52 0.00 0.00 37.83 34.82 1y44 s LYS 152 CO 0.29 -0.28 1.38 -0.25 -0.92 0.00 0.00 175.35 175.57 1y44 n ASP 153 N -1.46 2.65 -4.72 2.83 8.00 -1.26 -4.18 116.55 118.41 1y44 n ASP 153 Ca 0.07 1.15 -0.37 0.00 0.71 0.00 0.00 54.79 56.34 1y44 n ASP 153 Cb 0.54 -1.42 -0.07 0.00 -0.02 0.00 0.00 41.12 40.16 1y44 n ASP 153 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1y44 s VAL 154 N -0.15 5.25 0.38 2.53 1.01 0.23 -4.88 120.40 124.77 1y44 s VAL 154 Ca 0.67 0.73 -0.27 0.00 0.00 0.00 0.00 61.98 63.12 1y44 s VAL 154 Cb -0.66 -3.72 -0.11 0.00 0.00 0.00 0.00 36.38 31.89 1y44 s VAL 154 CO 0.51 0.36 1.27 -2.65 0.00 0.00 0.00 175.10 174.59 1y44 n PRO 155 N 3.65 2.02 -1.66 2.72 -0.02 -1.26 0.66 135.00 141.12 1y44 n PRO 155 Ca -0.10 0.71 -0.45 0.00 -2.02 0.00 0.00 63.50 61.65 1y44 n PRO 155 Cb 0.52 -2.34 -0.02 0.00 -0.02 0.00 0.00 33.50 31.63 1y44 n PRO 155 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1y44 n GLY 156 N 0.80 0.58 3.78 -1.23 0.00 -1.25 -4.63 105.19 103.25 1y44 n GLY 156 Ca 0.06 0.44 -0.34 0.00 0.00 0.00 0.00 46.02 46.18 1y44 n GLY 156 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y44 s SER 157 N 0.06 5.75 0.23 1.61 1.04 -1.26 -4.48 113.70 116.64 1y44 s SER 157 Ca 0.65 2.03 -0.30 0.00 0.48 0.00 0.00 55.95 58.81 1y44 s SER 157 Cb -0.65 -2.56 -0.09 0.00 0.10 0.00 0.00 66.02 62.82 1y44 s SER 157 CO 0.54 -1.20 1.15 -0.22 0.98 0.00 0.00 173.24 174.49 1y44 s LEU 158 N -4.05 4.49 -1.30 2.42 2.96 -1.26 -1.46 118.68 120.48 1y44 s LEU 158 Ca 0.69 2.25 -0.12 0.00 -0.22 0.00 0.00 54.13 56.73 1y44 s LEU 158 Cb -0.20 -3.62 0.13 0.00 0.50 0.00 0.00 46.19 43.00 1y44 s LEU 158 CO 0.30 -0.27 1.83 0.29 -1.32 0.00 0.00 176.35 177.18 1y44 n LYS 159 N 1.91 3.37 -0.01 1.98 5.02 -0.35 -4.81 118.16 125.28 1y44 n LYS 159 Ca 0.02 -3.40 0.01 0.00 -2.02 0.00 0.00 58.31 52.92 1y44 n LYS 159 Cb 0.45 -3.08 0.32 0.00 -0.02 0.00 0.00 35.03 32.70 1y44 n LYS 159 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1y44 h ALA 160 N 6.29 1.43 -0.55 7.82 0.00 -1.92 -2.83 119.26 129.51 1y44 h ALA 160 Ca 0.42 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 1y44 h ALA 160 Cb 0.71 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1y44 h ALA 160 CO 1.57 0.41 0.15 -0.44 0.00 0.00 0.00 179.25 180.94 1y44 h ASP 161 N 0.53 0.83 -0.64 0.00 3.32 -1.99 -1.29 116.42 117.17 1y44 h ASP 161 Ca 0.12 -0.22 0.02 0.00 0.02 0.00 0.00 57.03 56.97 1y44 h ASP 161 Cb 0.24 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.54 1y44 h ASP 161 CO 0.00 0.83 0.41 0.58 -1.72 0.00 0.00 179.24 179.34 1y44 h VAL 162 N 0.78 1.11 -0.32 -1.35 2.07 -1.93 0.19 116.25 116.79 1y44 h VAL 162 Ca 0.17 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1y44 h VAL 162 Cb 0.32 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 1y44 h VAL 162 CO -0.00 0.15 0.17 -0.07 0.02 0.00 0.00 177.57 177.84 1y44 h LEU 163 N 0.81 0.41 -0.81 2.57 3.38 -1.25 -2.51 115.31 117.91 1y44 h LEU 163 Ca 0.25 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 1y44 h LEU 163 Cb -0.02 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 1y44 h LEU 163 CO -0.09 0.39 0.41 0.11 0.09 0.00 0.00 178.44 179.35 1y44 h LYS 164 N 0.40 1.16 -2.13 1.13 1.57 -0.89 0.16 116.57 117.97 1y44 h LYS 164 Ca 0.11 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1y44 h LYS 164 Cb 0.08 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.17 1y44 h LYS 164 CO -0.02 0.88 0.05 0.39 -0.57 0.00 0.00 179.45 180.18 1y44 n GLU 165 N -4.36 0.33 -2.46 3.15 1.02 0.64 -3.68 120.64 115.27 1y44 n GLU 165 Ca 0.08 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 1y44 n GLU 165 Cb 0.12 -1.41 0.04 0.00 -0.02 0.00 0.00 31.44 30.18 1y44 n GLU 165 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1y44 n ASN 167 N 2.05 1.53 -4.05 1.62 5.15 -1.05 -5.07 115.26 115.43 1y44 n ASN 167 Ca 0.02 -2.09 -0.34 0.00 -0.60 0.00 0.00 54.58 51.57 1y44 n ASN 167 Cb 0.16 -0.43 -0.12 0.00 -0.53 0.00 0.00 39.78 38.86 1y44 n ASN 167 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1y44 s ILE 168 N -2.87 3.21 0.59 -1.44 1.01 0.54 -5.08 121.20 117.15 1y44 s ILE 168 Ca 0.30 -2.86 -0.19 0.00 0.00 0.00 0.00 60.65 57.89 1y44 s ILE 168 Cb 0.34 -3.16 -0.04 0.00 0.01 0.00 0.00 42.46 39.62 1y44 s ILE 168 CO -0.07 -0.80 1.24 -2.84 0.00 0.00 0.00 174.94 172.47 1y44 s PRO 169 N 0.15 2.98 0.60 2.79 0.02 -1.26 -3.39 135.00 136.89 1y44 s PRO 169 Ca 0.15 1.92 -0.19 0.00 0.02 0.00 0.00 61.00 62.91 1y44 s PRO 169 Cb -0.22 -1.99 -0.04 0.00 0.02 0.00 0.00 34.50 32.26 1y44 s PRO 169 CO -0.03 -1.23 1.03 -2.30 -0.33 0.00 0.00 177.00 174.14 1y44 n PRO 170 N -1.49 0.97 -3.88 5.54 -0.02 -1.26 -4.86 135.00 130.00 1y44 n PRO 170 Ca 0.13 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1y44 n PRO 170 Cb 0.49 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 1y44 n PRO 170 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1y44 n GLY 171 N 1.21 -1.19 0.32 -1.23 0.00 -1.26 -4.99 105.19 98.05 1y44 n GLY 171 Ca 0.14 -1.15 0.11 0.00 0.00 0.00 0.00 46.02 45.11 1y44 n GLY 171 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1y44 h PRO 172 N 0.00 0.58 -0.42 1.61 0.11 -2.03 -0.64 132.00 131.21 1y44 h PRO 172 Ca 0.00 -0.04 0.12 0.00 0.11 0.00 0.00 66.00 66.20 1y44 h PRO 172 Cb 0.00 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 30.96 1y44 h PRO 172 CO 0.00 0.39 0.30 -0.24 -0.21 0.00 0.00 178.00 178.24 1y44 h VAL 173 N 0.60 0.79 -0.57 3.15 3.04 -1.94 -0.23 116.25 121.09 1y44 h VAL 173 Ca 0.53 -0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 66.21 1y44 h VAL 173 Cb 0.85 0.79 -0.03 0.00 -2.01 0.00 0.00 31.29 30.89 1y44 h VAL 173 CO -0.42 0.00 0.35 1.88 -1.01 0.00 0.00 177.57 178.38 1y44 h TYR 174 N 0.01 0.74 -0.49 3.17 -1.99 -1.44 -1.04 116.97 115.92 1y44 h TYR 174 Ca 0.20 0.01 -0.08 0.00 2.00 0.00 0.00 58.73 60.86 1y44 h TYR 174 Cb 0.79 -0.25 -0.02 0.00 2.00 0.00 0.00 36.73 39.26 1y44 h TYR 174 CO -0.00 0.49 0.01 1.96 -0.00 0.00 0.00 178.16 180.62 1y44 h GLN 175 N 0.78 0.87 -0.42 4.88 7.50 -1.16 -0.80 115.11 126.76 1y44 h GLN 175 Ca 0.21 -0.27 -0.07 0.00 0.50 0.00 0.00 58.65 59.02 1y44 h GLN 175 Cb -0.04 -0.08 -0.01 0.00 0.05 0.00 0.00 27.48 27.39 1y44 h GLN 175 CO -0.04 0.90 -0.01 0.87 -1.50 0.00 0.00 178.83 179.05 1y44 h LYS 176 N 0.73 0.75 -0.56 1.46 1.57 -1.42 -2.23 116.57 116.87 1y44 h LYS 176 Ca 0.14 -0.24 0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1y44 h LYS 176 Cb 0.50 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 1y44 h LYS 176 CO 0.02 0.83 0.36 0.82 -0.57 0.00 0.00 179.45 180.92 1y44 h ILE 177 N 0.58 1.12 -0.66 1.86 2.04 -1.10 -1.27 117.51 120.08 1y44 h ILE 177 Ca 0.12 -0.25 0.09 0.00 1.00 0.00 0.00 64.86 65.82 1y44 h ILE 177 Cb 0.50 0.33 -0.04 0.00 -0.74 0.00 0.00 36.82 36.86 1y44 h ILE 177 CO 0.02 0.13 0.44 0.50 0.00 0.00 0.00 178.15 179.25 1y44 h LYS 178 N 0.73 0.51 -0.00 2.37 1.63 -0.88 0.92 116.57 121.84 1y44 h LYS 178 Ca 0.21 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.98 1y44 h LYS 178 Cb -0.06 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.46 1y44 h LYS 178 CO -0.06 0.34 0.00 1.63 -3.45 0.00 0.00 179.45 177.91 1y44 n LYS 179 N -4.48 1.08 -0.91 1.90 5.02 -0.55 -4.88 118.16 115.35 1y44 n LYS 179 Ca 0.11 -0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1y44 n LYS 179 Cb 0.34 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 1y44 n LYS 179 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1y44 n GLY 180 N 1.02 0.47 3.84 0.72 0.00 0.32 -5.00 105.19 106.55 1y44 n GLY 180 Ca 0.23 -0.70 -0.32 0.00 0.00 0.00 0.00 46.02 45.23 1y44 n GLY 180 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1y44 s GLU 181 N -1.30 3.55 -0.02 1.61 2.02 -0.78 -4.36 118.70 119.42 1y44 s GLU 181 Ca 0.00 0.95 -0.19 0.00 0.02 0.00 0.00 54.97 55.75 1y44 s GLU 181 Cb 0.00 -2.07 -0.05 0.00 0.10 0.00 0.00 34.13 32.10 1y44 s GLU 181 CO 0.00 -0.60 0.54 0.99 0.02 0.00 0.00 175.26 176.21 1y44 s THR 182 N -2.81 4.97 0.12 3.63 2.01 -1.26 -1.06 115.64 121.23 1y44 s THR 182 Ca 0.59 1.13 0.08 0.00 0.31 0.00 0.00 61.69 63.79 1y44 s THR 182 Cb -0.12 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.48 1y44 s THR 182 CO 0.43 0.43 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.91 1y44 s VAL 183 N -0.23 1.68 -0.35 3.82 1.01 0.12 -4.95 120.40 121.50 1y44 s VAL 183 Ca 0.29 -1.64 -0.09 0.00 0.00 0.00 0.00 61.98 60.54 1y44 s VAL 183 Cb -0.17 -1.60 0.02 0.00 0.00 0.00 0.00 36.38 34.63 1y44 s VAL 183 CO 0.15 -0.16 0.17 -0.89 0.00 0.00 0.00 175.10 174.37 1y44 s THR 184 N -1.46 4.34 0.71 3.92 2.01 -1.26 -0.63 115.64 123.26 1y44 s THR 184 Ca 0.08 -0.86 -0.11 0.00 0.31 0.00 0.00 61.69 61.12 1y44 s THR 184 Cb -0.09 -3.39 0.02 0.00 0.01 0.00 0.00 72.50 69.05 1y44 s THR 184 CO 0.05 -0.16 1.07 -0.76 -0.69 0.00 0.00 174.62 174.13 1y44 s LEU 185 N 1.52 3.00 0.37 4.42 1.43 0.49 -4.92 118.68 124.99 1y44 s LEU 185 Ca 0.02 1.48 0.12 0.00 -1.03 0.00 0.00 54.13 54.72 1y44 s LEU 185 Cb -0.19 -4.31 0.92 0.00 0.03 0.00 0.00 46.19 42.64 1y44 s LEU 185 CO 0.05 -1.49 1.84 -0.08 0.23 0.00 0.00 176.35 176.91 1y44 h GLU 186 N -0.75 0.57 -0.13 1.70 4.81 -1.98 0.50 114.58 119.29 1y44 h GLU 186 Ca -0.45 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1y44 h GLU 186 Cb 1.22 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.48 1y44 h GLU 186 CO 0.59 0.37 0.00 -0.40 -0.73 0.00 0.00 179.01 178.84 1y44 n ASP 187 N -4.58 1.09 0.00 1.04 5.75 -1.26 -4.90 116.55 113.69 1y44 n ASP 187 Ca 0.19 -1.70 0.00 0.00 -0.01 0.00 0.00 54.79 53.27 1y44 n ASP 187 Cb 0.59 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.59 1y44 n ASP 187 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1y44 n GLY 188 N 0.97 1.38 3.75 6.12 0.00 0.17 -5.06 105.19 112.51 1y44 n GLY 188 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 1y44 n GLY 188 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1y44 s ARG 189 N -1.00 3.09 -0.22 1.61 0.52 -1.26 -4.69 118.95 117.00 1y44 s ARG 189 Ca 0.00 1.95 -0.04 0.00 -0.52 0.00 0.00 55.73 57.12 1y44 s ARG 189 Cb 0.00 -2.07 -0.01 0.00 0.52 0.00 0.00 34.95 33.39 1y44 s ARG 189 CO 0.00 -1.15 -0.04 0.42 0.02 0.00 0.00 175.30 174.55 1y44 s ILE 190 N -1.49 3.37 -0.04 1.52 -1.09 -1.26 -0.38 121.20 121.83 1y44 s ILE 190 Ca 0.74 -0.49 0.05 0.00 -2.23 0.00 0.00 60.65 58.72 1y44 s ILE 190 Cb -0.33 -2.53 -0.02 0.00 -1.58 0.00 0.00 42.46 37.99 1y44 s ILE 190 CO 0.38 0.43 -0.19 -0.63 -1.23 0.00 0.00 174.94 173.69 1y44 s ILE 191 N 1.45 2.68 -0.44 2.92 1.09 0.19 -4.96 121.20 124.14 1y44 s ILE 191 Ca 0.05 -0.87 -0.17 0.00 -1.10 0.00 0.00 60.65 58.57 1y44 s ILE 191 Cb -0.14 -2.01 0.04 0.00 -1.06 0.00 0.00 42.46 39.28 1y44 s ILE 191 CO -0.03 0.59 0.42 0.21 -0.10 0.00 0.00 174.94 176.03 1y44 s ASN 192 N -0.69 6.17 0.33 3.58 2.47 -1.26 0.13 114.94 125.67 1y44 s ASN 192 Ca 0.11 -0.87 0.11 0.00 0.42 0.00 0.00 52.86 52.63 1y44 s ASN 192 Cb -0.10 -2.21 0.96 0.00 -1.45 0.00 0.00 41.25 38.44 1y44 s ASN 192 CO -0.00 -0.60 1.71 1.23 -3.72 0.00 0.00 177.10 175.71 1y44 h GLY 193 N 8.99 1.97 1.89 1.21 0.00 -1.32 -1.20 103.07 114.61 1y44 h GLY 193 Ca -0.27 -0.29 0.01 0.00 0.00 0.00 0.00 47.33 46.79 1y44 h GLY 193 CO 0.82 -0.33 0.04 3.43 0.00 0.00 0.00 176.54 180.50 1y44 h ASN 194 N 0.49 0.00 0.34 0.19 -0.26 -1.77 -1.05 115.58 113.52 1y44 h ASN 194 Ca 0.68 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.42 1y44 h ASN 194 Cb 1.39 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.65 1y44 h ASN 194 CO -0.52 0.00 0.00 0.47 -1.06 0.00 0.00 177.43 176.32 1y44 n ASP 195 N -4.01 0.00 -0.44 5.81 8.00 -0.45 -3.16 116.55 122.30 1y44 n ASP 195 Ca -0.02 0.04 0.07 0.00 0.71 0.00 0.00 54.79 55.59 1y44 n ASP 195 Cb 0.14 -0.29 0.17 0.00 -0.02 0.00 0.00 41.12 41.11 1y44 n ASP 195 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1y44 n PHE 196 N -1.29 0.00 -5.21 1.24 3.72 -0.40 -5.01 117.46 110.51 1y44 n PHE 196 Ca 0.08 -1.20 -0.30 0.00 -0.05 0.00 0.00 57.45 55.98 1y44 n PHE 196 Cb 0.14 -0.20 -0.16 0.00 -0.94 0.00 0.00 39.48 38.32 1y44 n PHE 196 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1y44 s LEU 197 N -2.81 2.04 0.74 4.37 1.43 -1.19 -1.21 118.68 122.05 1y44 s LEU 197 Ca 0.34 -0.45 -0.11 0.00 -1.03 0.00 0.00 54.13 52.88 1y44 s LEU 197 Cb 0.32 -1.26 0.03 0.00 0.03 0.00 0.00 46.19 45.31 1y44 s LEU 197 CO -0.03 0.28 1.10 -1.61 0.23 0.00 0.00 176.35 176.32 1y44 s GLU 198 N -0.46 2.60 0.74 1.70 2.02 -0.53 -4.95 118.70 119.81 1y44 s GLU 198 Ca 0.06 0.49 -0.15 0.00 0.02 0.00 0.00 54.97 55.40 1y44 s GLU 198 Cb -0.10 -1.99 0.04 0.00 0.10 0.00 0.00 34.13 32.18 1y44 s GLU 198 CO 0.00 -1.23 1.23 -2.14 0.02 0.00 0.00 175.26 173.14 1y44 s PRO 199 N -5.31 2.04 0.60 0.39 0.02 -1.26 -3.75 135.00 127.72 1y44 s PRO 199 Ca 0.59 1.84 -0.19 0.00 0.02 0.00 0.00 61.00 63.26 1y44 s PRO 199 Cb -0.12 -1.81 -0.03 0.00 0.02 0.00 0.00 34.50 32.56 1y44 s PRO 199 CO 0.52 -1.93 1.29 -2.14 -0.33 0.00 0.00 177.00 174.41 1y44 s PRO 200 N -3.86 2.86 -0.09 5.54 0.02 -1.26 -4.15 135.00 134.06 1y44 s PRO 200 Ca 0.76 2.05 -0.21 0.00 0.02 0.00 0.00 61.00 63.63 1y44 s PRO 200 Cb -0.31 -2.01 -0.04 0.00 0.02 0.00 0.00 34.50 32.16 1y44 s PRO 200 CO 0.46 -1.35 0.59 0.15 -0.33 0.00 0.00 177.00 176.51 1y44 s LYS 201 N -3.20 4.39 0.11 5.54 1.02 0.21 -4.88 119.74 122.93 1y44 s LYS 201 Ca 0.78 0.66 -0.30 0.00 0.02 0.00 0.00 55.97 57.12 1y44 s LYS 201 Cb -0.37 -3.44 -0.06 0.00 -0.52 0.00 0.00 37.83 33.44 1y44 s LYS 201 CO 0.40 0.12 1.16 0.21 -0.92 0.00 0.00 175.35 176.32 1y44 s LYS 202 N 0.68 4.50 0.40 1.68 2.20 -1.26 0.78 119.74 128.72 1y44 s LYS 202 Ca 0.32 1.75 -0.25 0.00 -0.36 0.00 0.00 55.97 57.42 1y44 s LYS 202 Cb -0.16 -3.31 -0.08 0.00 -1.51 0.00 0.00 37.83 32.76 1y44 s LYS 202 CO 0.14 -0.12 1.17 0.20 -0.36 0.00 0.00 175.35 176.39 1y44 s GLY 203 N 0.55 2.87 0.55 5.54 0.00 -1.26 -4.76 107.32 110.81 1y44 s GLY 203 Ca 0.55 0.98 -0.01 0.00 0.00 0.00 0.00 44.72 46.23 1y44 s GLY 203 CO 0.32 1.50 0.80 0.50 0.00 0.00 0.00 173.10 176.21 1y44 s ARG 204 N -2.28 2.71 -0.15 2.90 0.52 -1.25 -4.80 118.95 116.60 1y44 s ARG 204 Ca 0.57 -0.49 -0.12 0.00 -0.52 0.00 0.00 55.73 55.16 1y44 s ARG 204 Cb -0.31 -2.43 0.04 0.00 0.52 0.00 0.00 34.95 32.77 1y44 s ARG 204 CO 0.39 -0.65 0.39 -1.54 0.02 0.00 0.00 175.30 173.91 1y44 s SER 205 N -4.36 -0.42 -0.04 0.23 1.04 -1.26 -0.86 113.70 108.03 1y44 s SER 205 Ca 0.54 0.79 0.05 0.00 0.48 0.00 0.00 55.95 57.82 1y44 s SER 205 Cb -0.10 0.77 -0.01 0.00 0.10 0.00 0.00 66.02 66.78 1y44 s SER 205 CO 0.40 -0.15 -0.20 -0.69 0.98 0.00 0.00 173.24 173.59 1y44 s VAL 206 N 0.46 1.61 -0.08 5.02 1.01 -0.84 -1.02 120.40 126.56 1y44 s VAL 206 Ca -0.02 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.17 1y44 s VAL 206 Cb -0.04 -1.37 -0.01 0.00 0.00 0.00 0.00 36.38 34.96 1y44 s VAL 206 CO -0.02 0.46 -0.19 -0.69 0.00 0.00 0.00 175.10 174.65 1y44 s VAL 207 N -0.11 2.56 -0.25 2.92 1.01 0.03 -0.82 120.40 125.74 1y44 s VAL 207 Ca -0.01 -0.87 -0.00 0.00 0.00 0.00 0.00 61.98 61.09 1y44 s VAL 207 Cb -0.11 -2.00 0.04 0.00 0.00 0.00 0.00 36.38 34.31 1y44 s VAL 207 CO 0.02 0.56 -0.08 -0.36 0.00 0.00 0.00 175.10 175.24 1y44 s PHE 208 N -0.12 3.10 0.07 5.22 0.40 0.76 0.08 117.98 127.48 1y44 s PHE 208 Ca -0.03 -1.77 -0.24 0.00 -0.60 0.00 0.00 56.93 54.29 1y44 s PHE 208 Cb -0.14 -2.02 -0.16 0.00 0.51 0.00 0.00 43.02 41.21 1y44 s PHE 208 CO 0.04 -0.78 1.65 0.77 0.70 0.00 0.00 175.22 177.60 1y44 h SER 209 N 7.95 0.00 0.00 1.36 0.02 -1.43 0.13 113.55 121.59 1y44 h SER 209 Ca -0.30 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 1y44 h SER 209 Cb 1.09 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.63 1y44 h SER 209 CO 0.55 0.09 0.00 0.61 -1.14 0.00 0.00 176.83 176.95 1y44 n GLY 210 N -0.84 2.24 3.30 -3.77 0.00 -1.26 -3.58 105.19 101.28 1y44 n GLY 210 Ca -0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 1y44 n GLY 210 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1y44 s ASP 211 N -3.16 -0.22 0.18 1.61 2.15 -1.26 -4.69 116.67 111.28 1y44 s ASP 211 Ca 0.00 -0.19 0.07 0.00 0.43 0.00 0.00 52.55 52.86 1y44 s ASP 211 Cb 0.00 0.43 0.02 0.00 -0.30 0.00 0.00 42.92 43.07 1y44 s ASP 211 CO 0.00 -0.74 1.41 0.74 -0.17 0.00 0.00 175.17 176.41 1y44 h THR 212 N 2.77 1.57 -4.22 1.71 2.02 -1.90 -3.36 112.91 111.50 1y44 h THR 212 Ca -0.33 -2.80 -0.50 0.00 0.77 0.00 0.00 66.41 63.56 1y44 h THR 212 Cb 1.22 2.53 0.07 0.00 -1.74 0.00 0.00 68.15 70.24 1y44 h THR 212 CO 0.46 0.80 0.37 -0.13 0.37 0.00 0.00 175.52 177.40 1y44 s ARG 213 N -3.12 3.18 0.41 6.66 0.52 -1.26 -4.91 118.95 120.43 1y44 s ARG 213 Ca -0.01 1.19 0.07 0.00 -0.52 0.00 0.00 55.73 56.46 1y44 s ARG 213 Cb 0.11 -2.01 -0.05 0.00 0.52 0.00 0.00 34.95 33.51 1y44 s ARG 213 CO 0.80 -0.92 0.18 0.14 0.02 0.00 0.00 175.30 175.52 1y44 s VAL 214 N -2.54 2.32 0.13 3.52 -7.23 -1.26 -4.96 120.40 110.39 1y44 s VAL 214 Ca 0.63 -1.70 -0.26 0.00 -1.81 0.00 0.00 61.98 58.85 1y44 s VAL 214 Cb -0.16 -3.00 0.07 0.00 0.56 0.00 0.00 36.38 33.85 1y44 s VAL 214 CO 0.40 -0.01 1.01 -0.94 -0.31 0.00 0.00 175.10 175.25 1y44 s SER 215 N -3.90 -0.15 0.42 4.85 1.04 -1.26 -4.99 113.70 109.70 1y44 s SER 215 Ca 0.41 -0.38 0.17 0.00 0.48 0.00 0.00 55.95 56.63 1y44 s SER 215 Cb 0.04 0.45 0.94 0.00 0.10 0.00 0.00 66.02 67.54 1y44 s SER 215 CO 0.23 -0.83 1.91 0.44 0.98 0.00 0.00 173.24 175.97 1y44 h ASP 216 N 2.00 0.00 -0.80 7.02 5.19 -1.99 -1.57 116.42 126.26 1y44 h ASP 216 Ca -0.25 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.13 1y44 h ASP 216 Cb 1.23 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.70 1y44 h ASP 216 CO 0.26 0.27 0.37 0.11 -3.12 0.00 0.00 179.24 177.14 1y44 h LYS 217 N 0.00 1.16 -0.19 3.56 1.57 -1.93 -0.54 116.57 120.21 1y44 h LYS 217 Ca -0.00 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.58 1y44 h LYS 217 Cb 0.53 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1y44 h LYS 217 CO 0.04 0.91 0.05 1.25 -0.57 0.00 0.00 179.45 181.12 1y44 h LEU 218 N 1.14 0.28 -0.35 2.94 6.46 -1.62 -0.69 115.31 123.47 1y44 h LEU 218 Ca 0.27 -0.23 0.06 0.00 -0.12 0.00 0.00 57.88 57.87 1y44 h LEU 218 Cb 0.14 -0.07 -0.06 0.00 -0.73 0.00 0.00 40.66 39.93 1y44 h LEU 218 CO -0.03 0.44 -0.02 0.50 -0.62 0.00 0.00 178.44 178.71 1y44 h LYS 219 N 0.11 0.07 -0.25 1.25 3.64 -0.85 -0.85 116.57 119.69 1y44 h LYS 219 Ca 0.06 -0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.31 1y44 h LYS 219 Cb 0.27 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1y44 h LYS 219 CO 0.00 0.05 -0.39 0.93 -2.27 0.00 0.00 179.45 177.77 1y44 h GLU 220 N 0.07 0.56 -0.84 1.90 4.39 -1.02 -2.08 114.58 117.56 1y44 h GLU 220 Ca 0.17 -0.28 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 1y44 h GLU 220 Cb 0.24 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.85 1y44 h GLU 220 CO -0.30 0.86 0.52 1.25 -1.16 0.00 0.00 179.01 180.18 1y44 h LEU 221 N 0.47 1.00 -1.61 1.33 6.46 -0.49 -2.48 115.31 120.00 1y44 h LEU 221 Ca 0.04 -0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1y44 h LEU 221 Cb 0.88 -0.25 0.00 0.00 -0.73 0.00 0.00 40.66 40.56 1y44 h LEU 221 CO 0.08 0.75 0.00 0.00 -0.62 0.00 0.00 178.44 178.65 1y44 n ALA 222 N -2.41 2.47 -1.69 1.25 0.00 -0.38 -4.89 120.51 114.85 1y44 n ALA 222 Ca 0.09 -0.73 -0.52 0.00 0.00 0.00 0.00 53.44 52.27 1y44 n ALA 222 Cb 0.05 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.45 1y44 n ALA 222 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1y44 n ARG 223 N 0.80 1.71 -2.01 0.00 0.63 -0.80 -1.50 116.66 115.49 1y44 n ARG 223 Ca 0.17 0.63 -0.20 0.00 -0.92 0.00 0.00 57.85 57.52 1y44 n ARG 223 Cb 0.42 -2.40 -0.05 0.00 0.45 0.00 0.00 32.46 30.89 1y44 n ARG 223 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1y44 n ASP 224 N 6.02 -5.60 -4.87 6.15 8.00 0.79 -4.98 116.55 122.05 1y44 n ASP 224 Ca 0.24 0.24 -0.31 0.00 0.71 0.00 0.00 54.79 55.68 1y44 n ASP 224 Cb 0.22 -4.80 0.01 0.00 -0.02 0.00 0.00 41.12 36.53 1y44 n ASP 224 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1y44 h ASP 226 N -0.29 0.23 -1.56 0.00 3.32 -1.43 -0.33 116.42 116.37 1y44 h ASP 226 Ca -0.44 -0.60 0.00 0.00 0.02 0.00 0.00 57.03 56.01 1y44 h ASP 226 Cb 1.19 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.67 1y44 h ASP 226 CO 0.62 0.79 0.00 0.52 -1.72 0.00 0.00 179.24 179.45 1y44 n VAL 227 N -4.60 0.00 -3.29 -1.35 0.31 -1.02 -1.64 118.33 106.73 1y44 n VAL 227 Ca -0.08 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.28 1y44 n VAL 227 Cb 0.39 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.29 1y44 n VAL 227 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1y44 s VAL 229 N -1.38 -0.44 0.09 2.52 1.01 0.11 -0.79 120.40 121.52 1y44 s VAL 229 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 61.98 62.06 1y44 s VAL 229 Cb 0.00 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 1y44 s VAL 229 CO 0.00 0.00 -0.22 -2.28 0.00 0.00 0.00 175.10 172.60 1y44 s HIS 230 N 2.58 1.92 -0.31 5.22 5.04 0.40 -1.18 115.29 128.95 1y44 s HIS 230 Ca -0.01 -0.40 -0.26 0.00 -1.54 0.00 0.00 55.06 52.85 1y44 s HIS 230 Cb -0.07 -1.08 0.01 0.00 0.04 0.00 0.00 32.58 31.48 1y44 s HIS 230 CO -0.16 0.19 0.94 -1.21 -2.34 0.00 0.00 174.74 172.16 1y44 s GLU 231 N -1.67 4.01 0.12 2.88 2.02 -1.26 -0.26 118.70 124.54 1y44 s GLU 231 Ca 0.08 0.84 -0.02 0.00 0.02 0.00 0.00 54.97 55.90 1y44 s GLU 231 Cb -0.10 -3.73 -0.12 0.00 0.10 0.00 0.00 34.13 30.28 1y44 s GLU 231 CO 0.04 -0.80 1.28 0.00 0.02 0.00 0.00 175.26 175.80 1y44 h ALA 232 N 8.10 0.34 -2.36 5.21 0.00 -0.48 -3.36 119.26 126.72 1y44 h ALA 232 Ca -0.22 -0.77 -0.26 0.00 0.00 0.00 0.00 54.91 53.66 1y44 h ALA 232 Cb 1.08 -0.03 -0.15 0.00 0.00 0.00 0.00 17.79 18.69 1y44 h ALA 232 CO 0.96 0.90 -0.65 0.95 0.00 0.00 0.00 179.25 181.41 1y44 s THR 233 N -3.07 0.43 0.11 0.00 -4.23 -1.02 -4.35 115.64 103.51 1y44 s THR 233 Ca -0.04 -1.96 -0.06 0.00 -1.18 0.00 0.00 61.69 58.44 1y44 s THR 233 Cb 0.09 -2.18 -0.06 0.00 1.34 0.00 0.00 72.50 71.69 1y44 s THR 233 CO 0.86 -0.38 0.37 -0.36 -0.54 0.00 0.00 174.62 174.56 1y44 s PHE 234 N -3.83 3.52 -1.16 3.99 0.08 -1.26 -4.77 117.98 114.54 1y44 s PHE 234 Ca 0.27 0.62 -0.17 0.00 0.12 0.00 0.00 56.93 57.76 1y44 s PHE 234 Cb 0.07 -2.04 0.12 0.00 -0.57 0.00 0.00 43.02 40.59 1y44 s PHE 234 CO 0.05 0.48 1.47 0.00 -0.10 0.00 0.00 175.22 177.12 1y44 s ALA 235 N -1.54 3.49 0.00 5.36 0.00 -1.26 -4.67 121.76 123.14 1y44 s ALA 235 Ca 0.37 -2.96 0.00 0.00 0.00 0.00 0.00 51.96 49.37 1y44 s ALA 235 Cb -0.13 -4.33 0.00 0.00 0.00 0.00 0.00 23.12 18.67 1y44 s ALA 235 CO 0.22 -3.09 0.00 0.36 0.00 0.00 0.00 175.76 173.24 1y44 n LYS 236 N 7.10 0.00 0.00 0.00 0.00 -1.26 -4.88 118.16 119.13 1y44 n LYS 236 Ca 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.68 1y44 n LYS 236 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.49 1y44 n LYS 236 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 1y44 n HIS 247 N -1.14 0.00 0.26 5.58 -0.00 -1.26 -5.16 115.22 113.51 1y44 n HIS 247 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.72 57.82 1y44 n HIS 247 Cb 0.00 0.00 0.69 0.00 -0.00 0.00 0.00 29.99 30.68 1y44 n HIS 247 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1y44 h SER 248 N 0.00 0.00 0.18 4.39 0.87 -1.98 -1.69 113.55 115.33 1y44 h SER 248 Ca 0.00 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.57 1y44 h SER 248 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 1y44 h SER 248 CO 0.00 0.06 -0.27 0.71 -0.53 0.00 0.00 176.83 176.80 1y44 h THR 249 N 0.00 0.42 -0.65 2.23 1.35 -1.93 0.56 112.91 114.90 1y44 h THR 249 Ca -0.00 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.88 1y44 h THR 249 Cb 0.11 0.42 -0.04 0.00 -1.73 0.00 0.00 68.15 66.91 1y44 h THR 249 CO 0.01 0.00 0.41 0.74 -0.25 0.00 0.00 175.52 176.43 1y44 h THR 250 N -0.52 1.10 -0.62 6.82 2.02 -1.54 -0.56 112.91 119.61 1y44 h THR 250 Ca 0.01 -0.28 -0.02 0.00 0.77 0.00 0.00 66.41 66.90 1y44 h THR 250 Cb 0.51 0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 67.11 1y44 h THR 250 CO -0.11 0.15 0.32 -0.08 0.37 0.00 0.00 175.52 176.17 1y44 h GLU 251 N 0.81 0.86 -0.22 6.66 4.81 -0.63 -1.10 114.58 125.78 1y44 h GLU 251 Ca 0.26 -0.10 -0.18 0.00 -0.13 0.00 0.00 59.36 59.21 1y44 h GLU 251 Cb -0.01 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.20 1y44 h GLU 251 CO -0.09 0.65 -0.59 1.96 -0.73 0.00 0.00 179.01 180.21 1y44 h GLN 252 N 0.87 0.70 -0.70 1.92 1.08 0.84 -1.20 115.11 118.62 1y44 h GLN 252 Ca 0.22 -0.46 0.01 0.00 -1.45 0.00 0.00 58.65 56.96 1y44 h GLN 252 Cb 0.05 0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.51 1y44 h GLN 252 CO -0.03 1.09 0.46 0.00 -0.95 0.00 0.00 178.83 179.39 1y44 h ALA 253 N 0.81 0.89 -0.65 3.87 0.00 -0.63 0.99 119.26 124.54 1y44 h ALA 253 Ca 0.00 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1y44 h ALA 253 Cb 1.17 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1y44 h ALA 253 CO 0.12 0.32 0.06 0.00 0.00 0.00 0.00 179.25 179.76 1y44 h ALA 254 N 1.25 0.88 -0.50 0.00 0.00 -1.03 -0.46 119.26 119.40 1y44 h ALA 254 Ca 0.26 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1y44 h ALA 254 Cb -0.10 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 1y44 h ALA 254 CO -0.05 0.67 -0.10 0.28 0.00 0.00 0.00 179.25 180.05 1y44 h VAL 255 N 1.02 1.26 0.12 0.00 2.07 -0.62 -1.47 116.25 118.64 1y44 h VAL 255 Ca 0.19 -1.22 -0.01 0.00 0.82 0.00 0.00 66.70 66.49 1y44 h VAL 255 Cb 0.49 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1y44 h VAL 255 CO 0.02 0.42 -0.06 0.74 0.02 0.00 0.00 177.57 178.72 1y44 h THR 256 N 0.82 0.95 -0.89 2.57 2.02 -0.45 -0.85 112.91 117.07 1y44 h THR 256 Ca 0.13 -0.26 0.08 0.00 0.77 0.00 0.00 66.41 67.13 1y44 h THR 256 Cb 0.63 1.11 -0.06 0.00 -1.74 0.00 0.00 68.15 68.09 1y44 h THR 256 CO 0.04 0.06 0.58 0.00 0.37 0.00 0.00 175.52 176.57 1y44 h ALA 257 N 0.58 1.57 0.01 6.16 0.00 -0.96 0.24 119.26 126.87 1y44 h ALA 257 Ca -0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1y44 h ALA 257 Cb 0.23 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1y44 h ALA 257 CO 0.03 0.27 -0.01 -0.22 0.00 0.00 0.00 179.25 179.32 1y44 h LYS 258 N 0.95 -0.02 -0.37 0.00 3.64 -0.97 0.52 116.57 120.33 1y44 h LYS 258 Ca 0.39 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.66 1y44 h LYS 258 Cb 0.29 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1y44 h LYS 258 CO -0.16 0.20 -0.25 0.93 -2.27 0.00 0.00 179.45 177.91 1y44 h GLU 259 N -0.24 0.75 0.00 1.90 5.08 -0.54 -2.44 114.58 119.09 1y44 h GLU 259 Ca -0.00 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1y44 h GLU 259 Cb 0.23 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1y44 h GLU 259 CO 0.00 0.92 0.00 0.00 -1.00 0.00 0.00 179.01 178.94 1y44 n ALA 260 N -2.50 1.96 -3.28 3.43 0.00 0.80 -4.90 120.51 116.02 1y44 n ALA 260 Ca -0.00 0.02 -0.17 0.00 0.00 0.00 0.00 53.44 53.29 1y44 n ALA 260 Cb 0.45 -1.42 0.06 0.00 0.00 0.00 0.00 19.45 18.54 1y44 n ALA 260 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1y44 n ARG 261 N -2.15 -5.84 -1.78 0.00 1.74 -0.34 -0.15 116.66 108.14 1y44 n ARG 261 Ca 0.04 0.63 -0.32 0.00 -0.77 0.00 0.00 57.85 57.42 1y44 n ARG 261 Cb 0.31 -5.04 0.04 0.00 -1.02 0.00 0.00 32.46 26.75 1y44 n ARG 261 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1y44 s ALA 262 N -3.25 2.56 -0.07 7.54 0.00 0.03 -3.62 121.76 124.96 1y44 s ALA 262 Ca 0.37 0.41 0.14 0.00 0.00 0.00 0.00 51.96 52.88 1y44 s ALA 262 Cb -0.16 -3.27 -0.13 0.00 0.00 0.00 0.00 23.12 19.56 1y44 s ALA 262 CO 0.55 -1.16 0.97 0.87 0.00 0.00 0.00 175.76 176.98 1y44 h LYS 263 N -0.04 0.00 -2.79 0.00 1.57 -0.97 -3.46 116.57 110.88 1y44 h LYS 263 Ca -0.46 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.20 1y44 h LYS 263 Cb 1.23 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 33.32 1y44 h LYS 263 CO 0.55 0.49 -0.22 -1.14 -0.57 0.00 0.00 179.45 178.56 1y44 s GLN 264 N -2.82 0.58 -0.15 3.15 0.74 -0.65 -4.83 119.66 115.68 1y44 s GLN 264 Ca -0.01 0.30 0.02 0.00 0.05 0.00 0.00 55.36 55.71 1y44 s GLN 264 Cb 0.08 0.27 0.01 0.00 1.10 0.00 0.00 33.01 34.48 1y44 s GLN 264 CO 0.80 -0.12 -0.21 -1.17 -0.55 0.00 0.00 175.29 174.05 1y44 s LEU 265 N -0.38 2.16 -0.17 3.68 2.96 -0.30 -4.39 118.68 122.24 1y44 s LEU 265 Ca -0.05 -0.59 0.00 0.00 -0.22 0.00 0.00 54.13 53.27 1y44 s LEU 265 Cb -0.03 -1.46 0.00 0.00 0.50 0.00 0.00 46.19 45.19 1y44 s LEU 265 CO 0.02 0.07 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.34 1y44 s ILE 266 N 0.86 2.58 -0.23 6.68 1.01 -1.26 0.33 121.20 131.16 1y44 s ILE 266 Ca -0.06 -0.79 -0.12 0.00 0.00 0.00 0.00 60.65 59.68 1y44 s ILE 266 Cb -0.15 -2.10 -0.05 0.00 0.01 0.00 0.00 42.46 40.18 1y44 s ILE 266 CO -0.03 0.51 0.24 -0.76 0.00 0.00 0.00 174.94 174.91 1y44 s LEU 267 N 0.99 4.12 0.00 2.97 1.43 0.16 -0.45 118.68 127.89 1y44 s LEU 267 Ca -0.02 0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 1y44 s LEU 267 Cb -0.15 -2.24 -0.00 0.00 0.03 0.00 0.00 46.19 43.83 1y44 s LEU 267 CO -0.03 0.01 0.02 1.07 0.23 0.00 0.00 176.35 177.65 1y44 n THR 268 N 4.35 0.00 -3.39 5.49 5.66 0.64 -0.84 114.28 126.19 1y44 n THR 268 Ca -0.13 -0.24 -0.19 0.00 -3.05 0.00 0.00 64.05 60.44 1y44 n THR 268 Cb 0.52 0.09 0.06 0.00 -1.55 0.00 0.00 70.33 69.45 1y44 n THR 268 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 175.07 173.59 1y44 n HIS 269 N -0.09 -2.28 -3.63 1.09 -0.00 -0.71 0.10 115.22 109.70 1y44 n HIS 269 Ca -0.00 0.79 -0.37 0.00 -0.00 0.00 0.00 57.72 58.13 1y44 n HIS 269 Cb 0.06 -4.13 -0.10 0.00 -0.00 0.00 0.00 29.99 25.82 1y44 n HIS 269 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 1y44 s ILE 270 N -3.42 5.34 0.76 3.57 1.01 0.35 -2.42 121.20 126.38 1y44 s ILE 270 Ca 0.37 0.19 -0.11 0.00 0.00 0.00 0.00 60.65 61.11 1y44 s ILE 270 Cb -0.07 -3.52 0.05 0.00 0.01 0.00 0.00 42.46 38.93 1y44 s ILE 270 CO 0.77 0.31 1.08 -0.94 0.00 0.00 0.00 174.94 176.16 1y44 s SER 271 N 1.30 4.76 0.54 3.58 1.04 -1.26 -3.31 113.70 120.35 1y44 s SER 271 Ca 0.08 1.64 0.26 0.00 0.48 0.00 0.00 55.95 58.41 1y44 s SER 271 Cb -0.14 -2.41 1.44 0.00 0.10 0.00 0.00 66.02 65.00 1y44 s SER 271 CO 0.07 -1.84 1.99 0.00 0.98 0.00 0.00 173.24 174.43 1y44 h ALA 272 N -1.00 2.41 -0.48 5.32 0.00 -1.93 -0.89 119.26 122.70 1y44 h ALA 272 Ca -0.45 -0.02 0.14 0.00 0.00 0.00 0.00 54.91 54.59 1y44 h ALA 272 Cb 1.23 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1y44 h ALA 272 CO 0.55 -0.65 0.59 0.00 0.00 0.00 0.00 179.25 179.73 1y44 h ARG 273 N 0.00 0.00 -4.54 0.00 3.08 -1.97 -3.33 114.38 107.62 1y44 h ARG 273 Ca 0.24 0.00 -0.71 0.00 0.07 0.00 0.00 59.98 59.58 1y44 h ARG 273 Cb 1.02 0.00 -0.27 0.00 0.08 0.00 0.00 29.97 30.80 1y44 h ARG 273 CO -0.00 0.00 -0.51 0.71 -1.07 0.00 0.00 179.97 179.10 1y44 s TYR 274 N -4.53 3.29 -0.03 3.04 1.51 -0.34 -5.00 117.35 115.29 1y44 s TYR 274 Ca -0.04 -1.30 0.06 0.00 -1.01 0.00 0.00 57.07 54.78 1y44 s TYR 274 Cb 0.14 -2.65 -0.01 0.00 -0.11 0.00 0.00 41.96 39.33 1y44 s TYR 274 CO 0.50 -0.76 -0.21 -0.65 -1.11 0.00 0.00 175.55 173.33 1y44 s GLN 275 N 1.47 1.85 2.01 -0.62 -0.21 -1.25 -4.61 119.66 118.30 1y44 s GLN 275 Ca 0.02 -0.74 0.00 0.00 0.02 0.00 0.00 55.36 54.66 1y44 s GLN 275 Cb -0.21 -1.70 0.00 0.00 1.00 0.00 0.00 33.01 32.10 1y44 s GLN 275 CO 0.04 0.39 0.00 0.41 -2.12 0.00 0.00 175.29 174.01 1y44 n GLY 276 N 2.76 0.44 0.17 3.09 0.00 -1.26 -1.21 105.19 109.19 1y44 n GLY 276 Ca -0.16 0.71 -0.01 0.00 0.00 0.00 0.00 46.02 46.55 1y44 n GLY 276 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1y44 h ASP 277 N 0.00 0.12 -0.69 1.61 5.19 -2.00 -2.95 116.42 117.71 1y44 h ASP 277 Ca 0.00 -0.06 0.07 0.00 -0.62 0.00 0.00 57.03 56.42 1y44 h ASP 277 Cb 0.00 -0.04 -0.06 0.00 0.18 0.00 0.00 39.33 39.41 1y44 h ASP 277 CO 0.00 0.60 0.37 0.00 -3.12 0.00 0.00 179.24 177.09 1y44 h ALA 278 N 1.41 0.94 -0.42 3.45 0.00 -1.51 -0.90 119.26 122.23 1y44 h ALA 278 Ca 0.00 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.00 1y44 h ALA 278 Cb 0.90 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 1y44 h ALA 278 CO 0.07 0.02 0.12 0.77 0.00 0.00 0.00 179.25 180.22 1y44 h SER 279 N 0.66 0.09 0.12 0.00 0.02 -1.68 -0.46 113.55 112.30 1y44 h SER 279 Ca 0.32 0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 61.30 1y44 h SER 279 Cb 0.26 0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.85 1y44 h SER 279 CO -0.22 0.08 -0.13 -0.07 -1.14 0.00 0.00 176.83 175.36 1y44 h LEU 280 N 0.27 0.02 -0.50 5.07 3.38 -1.33 -0.73 115.31 121.48 1y44 h LEU 280 Ca 0.20 -0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.02 1y44 h LEU 280 Cb 0.21 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1y44 h LEU 280 CO -0.23 0.15 -0.36 -0.33 0.09 0.00 0.00 178.44 177.76 1y44 h GLU 281 N 0.02 0.83 -0.05 1.13 4.39 0.18 0.28 114.58 121.36 1y44 h GLU 281 Ca 0.00 -0.42 0.01 0.00 0.34 0.00 0.00 59.36 59.30 1y44 h GLU 281 Cb 0.24 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 1y44 h GLU 281 CO 0.02 1.05 -0.02 -0.07 -1.16 0.00 0.00 179.01 178.83 1y44 h LEU 282 N 0.68 -0.06 -0.48 1.33 3.38 0.13 -0.63 115.31 119.66 1y44 h LEU 282 Ca 0.06 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.09 1y44 h LEU 282 Cb 0.93 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.67 1y44 h LEU 282 CO 0.09 -0.02 0.23 -0.61 0.09 0.00 0.00 178.44 178.21 1y44 h GLN 283 N -0.01 0.43 -0.96 1.13 4.15 -1.00 -2.06 115.11 116.79 1y44 h GLN 283 Ca 0.03 -0.03 0.05 0.00 0.77 0.00 0.00 58.65 59.47 1y44 h GLN 283 Cb 0.05 -0.10 -0.06 0.00 0.21 0.00 0.00 27.48 27.58 1y44 h GLN 283 CO -0.05 0.29 0.62 -0.22 -1.93 0.00 0.00 178.83 177.53 1y44 h LYS 284 N 0.45 1.13 -0.48 1.69 1.63 -0.46 0.21 116.57 120.73 1y44 h LYS 284 Ca 0.21 -0.07 0.06 0.00 -0.85 0.00 0.00 60.65 60.01 1y44 h LYS 284 Cb 0.15 -0.25 -0.05 0.00 -0.60 0.00 0.00 32.23 31.47 1y44 h LYS 284 CO -0.17 0.75 0.19 0.93 -3.45 0.00 0.00 179.45 177.70 1y44 h GLU 285 N 1.16 0.37 -0.02 1.90 5.08 -0.42 -0.78 114.58 121.87 1y44 h GLU 285 Ca 0.40 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.73 1y44 h GLU 285 Cb 0.09 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1y44 h GLU 285 CO -0.15 0.24 -0.01 0.00 -1.00 0.00 0.00 179.01 178.09 1y44 h ALA 286 N 1.31 0.03 -0.96 3.43 0.00 -1.05 -3.21 119.26 118.81 1y44 h ALA 286 Ca 0.23 -0.22 0.19 0.00 0.00 0.00 0.00 54.91 55.10 1y44 h ALA 286 Cb 0.21 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.91 1y44 h ALA 286 CO -0.22 -0.24 0.61 0.28 0.00 0.00 0.00 179.25 179.68 1y44 h VAL 287 N -0.36 0.72 0.00 0.00 2.07 -0.28 0.43 116.25 118.83 1y44 h VAL 287 Ca 0.00 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 1y44 h VAL 287 Cb 0.44 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1y44 h VAL 287 CO 0.00 0.11 -0.02 0.44 0.02 0.00 0.00 177.57 178.13 1y44 h ASP 288 N 0.63 0.00 0.00 0.57 3.32 -1.15 -2.77 116.42 117.02 1y44 h ASP 288 Ca 0.52 0.00 -0.41 0.00 0.02 0.00 0.00 57.03 57.16 1y44 h ASP 288 Cb 0.97 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.46 1y44 h ASP 288 CO -0.27 0.02 -2.43 0.52 -1.72 0.00 0.00 179.24 175.35 1y44 n VAL 289 N -4.06 1.42 -3.82 -1.35 0.31 0.02 -4.86 118.33 106.00 1y44 n VAL 289 Ca -0.03 -0.45 -0.30 0.00 -0.01 0.00 0.00 64.34 63.55 1y44 n VAL 289 Cb 0.10 -1.62 -0.14 0.00 -0.91 0.00 0.00 33.84 31.27 1y44 n VAL 289 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 1y44 s PHE 290 N -2.48 2.44 0.29 3.52 5.36 0.13 -4.96 117.98 122.28 1y44 s PHE 290 Ca -0.35 -2.46 -0.04 0.00 -0.96 0.00 0.00 56.93 53.12 1y44 s PHE 290 Cb 0.11 -2.19 0.58 0.00 -0.34 0.00 0.00 43.02 41.19 1y44 s PHE 290 CO 0.51 -0.84 1.57 -1.35 -1.46 0.00 0.00 175.22 173.65 1y44 h PRO 291 N 7.27 0.01 -2.76 10.12 0.11 -1.71 -2.94 132.00 142.09 1y44 h PRO 291 Ca -0.06 -0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.45 1y44 h PRO 291 Cb 0.97 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 1y44 h PRO 291 CO 0.52 0.00 2.89 -1.71 -0.21 0.00 0.00 178.00 179.50 1y44 n ASN 292 N -5.56 8.06 -4.55 -2.05 5.15 -1.26 -4.73 115.26 110.32 1y44 n ASN 292 Ca 0.19 -2.66 -0.31 0.00 -0.60 0.00 0.00 54.58 51.21 1y44 n ASN 292 Cb 0.61 -1.50 -0.11 0.00 -0.53 0.00 0.00 39.78 38.25 1y44 n ASN 292 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1y44 s SER 293 N 1.83 4.31 -0.02 1.20 0.01 -1.11 -1.15 113.70 118.77 1y44 s SER 293 Ca 0.67 -0.32 0.02 0.00 1.31 0.00 0.00 55.95 57.63 1y44 s SER 293 Cb 0.21 -0.85 0.00 0.00 0.21 0.00 0.00 66.02 65.59 1y44 s SER 293 CO -0.06 0.23 -0.07 -0.69 0.41 0.00 0.00 173.24 173.06 1y44 s VAL 294 N -1.07 0.62 -0.52 3.43 1.01 0.15 -4.84 120.40 119.17 1y44 s VAL 294 Ca 0.18 -0.27 -0.17 0.00 0.00 0.00 0.00 61.98 61.72 1y44 s VAL 294 Cb -0.11 -0.56 0.09 0.00 0.00 0.00 0.00 36.38 35.80 1y44 s VAL 294 CO 0.10 0.20 0.55 0.00 0.00 0.00 0.00 175.10 175.95 1y44 s ALA 295 N 0.24 3.50 0.89 5.51 0.00 -1.26 0.37 121.76 131.00 1y44 s ALA 295 Ca -0.03 -2.13 -0.10 0.00 0.00 0.00 0.00 51.96 49.70 1y44 s ALA 295 Cb -0.08 -3.30 0.13 0.00 0.00 0.00 0.00 23.12 19.87 1y44 s ALA 295 CO 0.00 -2.02 1.15 0.00 0.00 0.00 0.00 175.76 174.90 1y44 s ALA 296 N 2.16 1.57 0.04 0.00 0.00 -0.02 -4.95 121.76 120.57 1y44 s ALA 296 Ca 0.09 0.61 -0.10 0.00 0.00 0.00 0.00 51.96 52.56 1y44 s ALA 296 Cb -0.24 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.44 1y44 s ALA 296 CO 0.07 -2.64 0.20 1.52 0.00 0.00 0.00 175.76 174.92 1y44 s TYR 297 N -2.60 0.05 0.13 0.00 -0.85 -1.26 -4.92 117.35 107.90 1y44 s TYR 297 Ca 0.67 -0.28 -0.35 0.00 -0.52 0.00 0.00 57.07 56.59 1y44 s TYR 297 Cb -0.23 -0.02 -0.15 0.00 0.38 0.00 0.00 41.96 41.94 1y44 s TYR 297 CO 0.57 -0.45 1.47 -0.25 -1.52 0.00 0.00 175.55 175.37 1y44 n ASP 298 N 0.61 2.46 0.00 -0.18 9.92 -1.26 -1.17 116.55 126.92 1y44 n ASP 298 Ca -0.18 1.10 0.00 0.00 -0.53 0.00 0.00 54.79 55.17 1y44 n ASP 298 Cb 0.59 -1.32 0.00 0.00 -0.64 0.00 0.00 41.12 39.75 1y44 n ASP 298 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1y44 n PHE 299 N 3.02 0.00 -2.13 1.24 3.72 0.22 -5.02 117.46 118.51 1y44 n PHE 299 Ca 0.18 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.18 1y44 n PHE 299 Cb 0.25 -0.17 -0.01 0.00 -0.94 0.00 0.00 39.48 38.61 1y44 n PHE 299 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1y44 s LEU 300 N 0.00 4.24 -0.08 4.37 2.96 -0.32 -4.78 118.68 125.08 1y44 s LEU 300 Ca 0.00 2.57 0.02 0.00 -0.22 0.00 0.00 54.13 56.50 1y44 s LEU 300 Cb 0.00 -3.89 0.01 0.00 0.50 0.00 0.00 46.19 42.81 1y44 s LEU 300 CO 0.00 -0.75 -0.13 -0.70 -1.32 0.00 0.00 176.35 173.45 1y44 s GLU 301 N -2.17 1.89 -0.18 1.98 2.12 -1.26 -1.19 118.70 119.89 1y44 s GLU 301 Ca 0.56 -0.46 -0.00 0.00 0.36 0.00 0.00 54.97 55.42 1y44 s GLU 301 Cb -0.36 -1.58 0.00 0.00 0.26 0.00 0.00 34.13 32.45 1y44 s GLU 301 CO 0.47 -0.00 -0.15 0.08 -0.54 0.00 0.00 175.26 175.12 1y44 s VAL 302 N 0.79 2.60 0.40 3.70 1.01 0.66 -4.96 120.40 124.61 1y44 s VAL 302 Ca -0.12 -0.77 -0.22 0.00 0.00 0.00 0.00 61.98 60.87 1y44 s VAL 302 Cb -0.16 -2.12 -0.10 0.00 0.00 0.00 0.00 36.38 34.00 1y44 s VAL 302 CO 0.02 0.50 0.96 0.21 0.00 0.00 0.00 175.10 176.80 1y44 s ASN 303 N 1.12 6.98 -0.49 3.32 3.04 -1.26 -1.01 114.94 126.64 1y44 s ASN 303 Ca 0.01 1.78 0.03 0.00 0.04 0.00 0.00 52.86 54.71 1y44 s ASN 303 Cb -0.14 -2.56 0.14 0.00 -1.54 0.00 0.00 41.25 37.15 1y44 s ASN 303 CO -0.05 -0.33 0.28 -0.69 -3.04 0.00 0.00 177.10 173.27 1y44 s VAL 304 N -1.97 1.77 0.52 -5.21 1.01 -1.26 -4.93 120.40 110.33 1y44 s VAL 304 Ca 0.59 -2.93 -0.17 0.00 0.00 0.00 0.00 61.98 59.47 1y44 s VAL 304 Cb -0.13 -2.22 -0.07 0.00 0.00 0.00 0.00 36.38 33.95 1y44 s VAL 304 CO 0.18 -0.91 1.00 -2.84 0.00 0.00 0.00 175.10 172.52 1y44 s PRO 305 N -0.02 3.86 0.57 2.72 0.02 -1.26 -4.82 135.00 136.06 1y44 s PRO 305 Ca 0.19 1.00 -0.15 0.00 0.02 0.00 0.00 61.00 62.07 1y44 s PRO 305 Cb -0.21 -2.12 -0.06 0.00 0.02 0.00 0.00 34.50 32.14 1y44 s PRO 305 CO -0.03 -0.35 1.02 1.03 -0.33 0.00 0.00 177.00 178.33 1y44 s ARG 306 N -4.04 3.66 0.00 5.54 0.52 -1.26 -5.02 118.95 118.35 1y44 s ARG 306 Ca 0.60 0.97 0.00 0.00 -0.52 0.00 0.00 55.73 56.78 1y44 s ARG 306 Cb -0.11 -2.09 0.00 0.00 0.52 0.00 0.00 34.95 33.27 1y44 s ARG 306 CO 0.32 -0.51 0.00 0.41 0.02 0.00 0.00 175.30 175.53