#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 3.27 -0.26 -4.62 1.43 0.64 -0.21 118.68 118.93 1y44 s LEU 3 Ca 0.00 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 1y44 s LEU 3 Cb 0.00 -1.83 0.05 0.00 0.03 0.00 0.00 46.19 44.44 1y44 s LEU 3 CO 0.00 0.07 -0.07 -0.22 0.23 0.00 0.00 176.35 176.36 1y44 s LEU 4 N 0.97 3.43 -0.40 1.79 2.96 0.67 -0.22 118.68 127.88 1y44 s LEU 4 Ca 0.02 -1.19 -0.28 0.00 -0.22 0.00 0.00 54.13 52.46 1y44 s LEU 4 Cb -0.14 -1.62 0.02 0.00 0.50 0.00 0.00 46.19 44.95 1y44 s LEU 4 CO 0.02 -0.18 1.05 -0.36 -1.32 0.00 0.00 176.35 175.56 1y44 s PHE 5 N 1.21 3.00 -0.07 5.38 0.40 -0.43 -0.21 117.98 127.26 1y44 s PHE 5 Ca -0.05 0.87 -0.05 0.00 -0.60 0.00 0.00 56.93 57.10 1y44 s PHE 5 Cb -0.19 -3.96 -0.27 0.00 0.51 0.00 0.00 43.02 39.11 1y44 s PHE 5 CO -0.04 -0.98 0.56 -0.07 0.70 0.00 0.00 175.22 175.39 1y44 h LEU 6 N 10.52 0.43 -7.46 -0.37 3.38 -1.50 0.70 115.31 121.01 1y44 h LEU 6 Ca -0.22 -0.78 -0.28 0.00 0.09 0.00 0.00 57.88 56.69 1y44 h LEU 6 Cb 1.07 -0.14 -0.33 0.00 0.09 0.00 0.00 40.66 41.34 1y44 h LEU 6 CO 1.05 1.68 -0.67 -0.83 0.09 0.00 0.00 178.44 179.77 1y44 s GLY 7 N -5.30 0.05 0.00 0.83 0.00 -0.81 -4.56 107.32 97.52 1y44 s GLY 7 Ca -0.17 0.48 0.00 0.00 0.00 0.00 0.00 44.72 45.03 1y44 s GLY 7 CO 0.81 0.90 0.78 -1.30 0.00 0.00 0.00 173.10 174.29 1y44 n THR 8 N 4.29 0.58 -3.13 0.90 -2.24 -1.01 -2.80 114.28 110.88 1y44 n THR 8 Ca -0.25 -0.76 -0.30 0.00 -2.27 0.00 0.00 64.05 60.47 1y44 n THR 8 Cb 0.51 0.73 -0.03 0.00 -2.10 0.00 0.00 70.33 69.43 1y44 n THR 8 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1y44 s GLY 9 N -0.58 1.93 0.00 3.38 0.00 0.43 -0.61 107.32 111.87 1y44 s GLY 9 Ca 0.00 -0.37 -0.06 0.00 0.00 0.00 0.00 44.72 44.29 1y44 s GLY 9 CO 0.00 -0.22 0.26 0.00 0.00 0.00 0.00 173.10 173.14 1y44 s ALA 10 N -2.19 3.86 0.00 3.20 0.00 -0.86 -3.53 121.76 122.24 1y44 s ALA 10 Ca 0.48 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.84 1y44 s ALA 10 Cb -0.11 -2.05 0.00 0.00 0.00 0.00 0.00 23.12 20.97 1y44 s ALA 10 CO 0.30 0.66 0.00 0.41 0.00 0.00 0.00 175.76 177.12 1y44 n GLY 11 N 1.11 0.56 3.09 0.00 0.00 -1.26 -4.73 105.19 103.97 1y44 n GLY 11 Ca -0.11 -0.01 -0.08 0.00 0.00 0.00 0.00 46.02 45.82 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 0.18 0.54 -0.61 -0.00 -1.26 -4.58 121.20 115.47 1y44 s ILE 12 Ca 0.00 -1.47 -0.22 0.00 -0.00 0.00 0.00 60.65 58.97 1y44 s ILE 12 Cb 0.00 -1.20 -0.05 0.00 -0.00 0.00 0.00 42.46 41.21 1y44 s ILE 12 CO 0.00 -0.81 1.37 -2.84 -0.00 0.00 0.00 174.94 172.66 1y44 s PRO 13 N -3.32 3.17 0.04 0.37 0.02 -1.26 -4.68 135.00 129.34 1y44 s PRO 13 Ca 0.01 2.26 -0.00 0.00 0.02 0.00 0.00 61.00 63.29 1y44 s PRO 13 Cb 0.03 -2.28 -0.03 0.00 0.02 0.00 0.00 34.50 32.24 1y44 s PRO 13 CO -0.08 -1.17 -0.04 0.00 -0.33 0.00 0.00 177.00 175.38 1y44 s ALA 14 N -1.29 0.41 0.42 -1.55 0.00 -0.05 -5.00 121.76 114.69 1y44 s ALA 14 Ca 0.71 -0.97 0.10 0.00 0.00 0.00 0.00 51.96 51.80 1y44 s ALA 14 Cb -0.41 0.20 0.92 0.00 0.00 0.00 0.00 23.12 23.84 1y44 s ALA 14 CO 0.49 -0.26 2.03 0.87 0.00 0.00 0.00 175.76 178.88 1y44 h LYS 15 N 3.77 0.49 -0.10 0.00 1.57 -2.02 -2.83 116.57 117.45 1y44 h LYS 15 Ca -0.33 -0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 58.26 1y44 h LYS 15 Cb 1.17 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 33.38 1y44 h LYS 15 CO 0.55 0.32 -0.54 0.00 -0.57 0.00 0.00 179.45 179.21 1y44 h ALA 16 N 1.73 0.20 -3.81 3.86 0.00 -2.01 -3.46 119.26 115.77 1y44 h ALA 16 Ca 0.20 -0.52 -0.29 0.00 0.00 0.00 0.00 54.91 54.30 1y44 h ALA 16 Cb 0.16 -0.01 -0.29 0.00 0.00 0.00 0.00 17.79 17.66 1y44 h ALA 16 CO -0.05 0.41 -0.74 1.03 0.00 0.00 0.00 179.25 179.90 1y44 s ARG 17 N -3.65 0.26 0.56 0.00 0.52 -1.07 -4.70 118.95 110.87 1y44 s ARG 17 Ca -0.12 -0.10 -0.01 0.00 -0.52 0.00 0.00 55.73 54.98 1y44 s ARG 17 Cb 0.06 -0.26 0.03 0.00 0.52 0.00 0.00 34.95 35.30 1y44 s ARG 17 CO 0.84 0.05 0.81 1.21 0.02 0.00 0.00 175.30 178.23 1y44 s ASN 18 N 0.00 5.31 0.94 0.23 2.47 -1.26 -0.87 114.94 121.77 1y44 s ASN 18 Ca 0.00 0.18 -0.11 0.00 0.42 0.00 0.00 52.86 53.35 1y44 s ASN 18 Cb -0.02 -1.09 0.16 0.00 -1.45 0.00 0.00 41.25 38.84 1y44 s ASN 18 CO -0.00 -1.14 1.09 0.68 -3.72 0.00 0.00 177.10 174.00 1y44 s VAL 19 N -2.83 2.46 0.15 -5.21 -7.23 -1.26 -0.43 120.40 106.05 1y44 s VAL 19 Ca 0.56 0.15 -0.34 0.00 -1.81 0.00 0.00 61.98 60.54 1y44 s VAL 19 Cb -0.10 -2.48 -0.16 0.00 0.56 0.00 0.00 36.38 34.20 1y44 s VAL 19 CO 0.40 -0.20 1.21 0.41 -0.31 0.00 0.00 175.10 176.61 1y44 n THR 20 N -4.12 0.64 -3.35 5.32 -1.04 -1.15 -4.10 114.28 106.47 1y44 n THR 20 Ca 0.07 -0.16 0.04 0.00 -2.04 0.00 0.00 64.05 61.96 1y44 n THR 20 Cb 0.54 -0.83 -0.05 0.00 -1.82 0.00 0.00 70.33 68.17 1y44 n THR 20 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1y44 s SER 21 N 0.13 -0.00 -0.08 8.00 0.15 -1.12 -0.42 113.70 120.36 1y44 s SER 21 Ca 0.76 0.01 0.03 0.00 0.70 0.00 0.00 55.95 57.45 1y44 s SER 21 Cb -0.88 1.00 0.01 0.00 -1.71 0.00 0.00 66.02 64.44 1y44 s SER 21 CO 0.51 -0.00 -0.16 -0.69 1.20 0.00 0.00 173.24 174.09 1y44 s VAL 22 N 1.61 1.44 -0.24 4.45 1.01 -0.69 -1.21 120.40 126.77 1y44 s VAL 22 Ca -0.03 -0.66 -0.12 0.00 0.00 0.00 0.00 61.98 61.18 1y44 s VAL 22 Cb -0.01 -1.29 -0.05 0.00 0.00 0.00 0.00 36.38 35.04 1y44 s VAL 22 CO -0.13 0.42 0.22 0.00 0.00 0.00 0.00 175.10 175.61 1y44 s ALA 23 N 0.56 3.59 -0.65 5.51 0.00 0.71 -0.44 121.76 131.05 1y44 s ALA 23 Ca -0.16 -0.84 -0.17 0.00 0.00 0.00 0.00 51.96 50.79 1y44 s ALA 23 Cb -0.17 -2.42 0.14 0.00 0.00 0.00 0.00 23.12 20.67 1y44 s ALA 23 CO 0.05 -0.28 0.68 -1.17 0.00 0.00 0.00 175.76 175.05 1y44 s LEU 24 N 1.24 5.90 -0.20 0.00 2.96 0.25 -0.24 118.68 128.58 1y44 s LEU 24 Ca 0.10 -1.85 -0.29 0.00 -0.22 0.00 0.00 54.13 51.87 1y44 s LEU 24 Cb -0.14 -2.26 -0.01 0.00 0.50 0.00 0.00 46.19 44.28 1y44 s LEU 24 CO 0.06 -0.92 1.23 -0.54 -1.32 0.00 0.00 176.35 174.86 1y44 s LYS 25 N 1.83 4.17 -0.37 1.98 1.02 0.71 -1.06 119.74 128.02 1y44 s LYS 25 Ca 0.12 1.52 0.10 0.00 0.02 0.00 0.00 55.97 57.72 1y44 s LYS 25 Cb -0.22 -3.77 0.45 0.00 -0.52 0.00 0.00 37.83 33.77 1y44 s LYS 25 CO 0.01 -0.78 1.10 1.28 -0.92 0.00 0.00 175.35 176.04 1y44 n LEU 26 N 6.77 3.86 -0.26 3.17 4.77 -0.49 -2.01 117.00 132.80 1y44 n LEU 26 Ca 0.14 -4.63 -0.07 0.00 -0.03 0.00 0.00 56.01 51.42 1y44 n LEU 26 Cb 0.45 -0.18 0.05 0.00 -2.33 0.00 0.00 43.42 41.42 1y44 n LEU 26 CO 0.57 1.97 0.97 -0.07 -1.33 0.00 0.00 177.39 179.50 1y44 h LEU 27 N 2.57 1.09 -0.03 2.23 3.38 -1.85 0.29 115.31 122.98 1y44 h LEU 27 Ca 0.20 -0.22 -0.23 0.00 0.09 0.00 0.00 57.88 57.72 1y44 h LEU 27 Cb 1.15 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1y44 h LEU 27 CO 0.70 1.02 -1.06 -0.08 0.09 0.00 0.00 178.44 179.12 1y44 h GLU 28 N 1.10 0.16 0.22 1.13 4.81 -1.89 -0.05 114.58 120.05 1y44 h GLU 28 Ca 0.23 -0.24 -0.32 0.00 -0.13 0.00 0.00 59.36 58.91 1y44 h GLU 28 Cb 0.34 0.08 0.03 0.00 0.63 0.00 0.00 28.75 29.83 1y44 h GLU 28 CO -0.00 1.07 -1.46 0.93 -0.73 0.00 0.00 179.01 178.81 1y44 h GLU 29 N 0.06 0.46 0.00 1.92 3.07 -1.89 -3.41 114.58 114.78 1y44 h GLU 29 Ca -0.07 -0.79 0.00 0.00 -0.50 0.00 0.00 59.36 58.00 1y44 h GLU 29 Cb 1.77 0.29 0.00 0.00 -0.84 0.00 0.00 28.75 29.97 1y44 h GLU 29 CO 0.16 1.38 0.00 0.54 -1.40 0.00 0.00 179.01 179.69 1y44 n ARG 30 N -3.75 0.30 -2.87 2.33 1.74 0.84 -5.02 116.66 110.23 1y44 n ARG 30 Ca -0.19 -0.12 -0.18 0.00 -0.77 0.00 0.00 57.85 56.59 1y44 n ARG 30 Cb 1.05 -0.54 0.03 0.00 -1.02 0.00 0.00 32.46 31.98 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 -0.08 -3.97 -3.38 5.56 1.74 -0.03 -4.95 116.66 111.54 1y44 n ARG 31 Ca 0.00 0.75 -0.10 0.00 -0.77 0.00 0.00 57.85 57.73 1y44 n ARG 31 Cb 0.13 -5.26 -0.01 0.00 -1.02 0.00 0.00 32.46 26.30 1y44 n ARG 31 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1y44 n SER 32 N -1.72 -1.32 -4.03 0.55 3.41 -1.12 -4.89 113.62 104.50 1y44 n SER 32 Ca -0.10 -2.43 -0.17 0.00 -0.26 0.00 0.00 58.87 55.92 1y44 n SER 32 Cb 0.60 2.35 -0.14 0.00 -0.26 0.00 0.00 64.21 66.76 1y44 n SER 32 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1y44 s VAL 33 N -2.59 0.67 0.06 -3.33 1.01 -0.15 -1.40 120.40 114.66 1y44 s VAL 33 Ca 0.20 -0.58 0.07 0.00 0.00 0.00 0.00 61.98 61.66 1y44 s VAL 33 Cb -0.02 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 1y44 s VAL 33 CO 0.14 0.03 -0.14 0.26 0.00 0.00 0.00 175.10 175.39 1y44 s TRP 34 N -0.52 2.65 -0.06 5.22 0.52 -0.23 -1.61 118.94 124.92 1y44 s TRP 34 Ca 0.00 -0.20 0.04 0.00 0.02 0.00 0.00 56.10 55.97 1y44 s TRP 34 Cb -0.05 -1.47 -0.02 0.00 -1.15 0.00 0.00 33.47 30.78 1y44 s TRP 34 CO 0.00 0.33 -0.18 -0.51 0.02 0.00 0.00 176.95 176.61 1y44 s LEU 35 N -1.68 2.53 -0.32 2.99 1.02 -0.42 0.86 118.68 123.65 1y44 s LEU 35 Ca 0.17 -0.30 -0.02 0.00 0.02 0.00 0.00 54.13 53.99 1y44 s LEU 35 Cb -0.11 -1.50 0.06 0.00 0.02 0.00 0.00 46.19 44.66 1y44 s LEU 35 CO 0.08 0.30 0.04 -0.36 0.02 0.00 0.00 176.35 176.43 1y44 s PHE 36 N -0.48 3.32 0.24 0.29 0.40 0.42 -0.21 117.98 121.95 1y44 s PHE 36 Ca 0.06 -1.93 0.00 0.00 -0.60 0.00 0.00 56.93 54.47 1y44 s PHE 36 Cb -0.12 -2.29 0.00 0.00 0.51 0.00 0.00 43.02 41.13 1y44 s PHE 36 CO 0.01 -0.82 0.00 -0.25 0.70 0.00 0.00 175.22 174.86 1y44 n ASP 37 N 4.63 -3.10 -3.00 1.36 8.00 0.16 -1.71 116.55 122.89 1y44 n ASP 37 Ca -0.11 0.63 -0.13 0.00 0.71 0.00 0.00 54.79 55.89 1y44 n ASP 37 Cb 0.43 -1.67 -0.03 0.00 -0.02 0.00 0.00 41.12 39.83 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 0.39 1.58 0.38 0.00 0.00 0.44 -0.79 107.32 109.32 1y44 s GLY 39 Ca 0.31 -0.56 -0.27 0.00 0.00 0.00 0.00 44.72 44.20 1y44 s GLY 39 CO -0.11 0.09 1.40 -2.21 0.00 0.00 0.00 173.10 172.26 1y44 n GLU 40 N -4.11 2.37 -1.07 2.90 2.13 -1.26 -2.38 120.64 119.21 1y44 n GLU 40 Ca 0.07 0.83 -0.03 0.00 0.66 0.00 0.00 57.16 58.70 1y44 n GLU 40 Cb 0.58 -2.53 -0.01 0.00 0.27 0.00 0.00 31.44 29.76 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 0.23 -0.04 -0.31 4.31 0.00 -1.26 -4.60 120.51 118.84 1y44 n ALA 41 Ca 0.03 0.04 -0.05 0.00 0.00 0.00 0.00 53.44 53.47 1y44 n ALA 41 Cb 0.38 -0.62 0.08 0.00 0.00 0.00 0.00 19.45 19.29 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 1.26 -0.14 0.00 2.02 -1.79 -1.13 112.91 113.13 1y44 h THR 42 Ca -0.05 -0.68 -0.08 0.00 0.77 0.00 0.00 66.41 66.38 1y44 h THR 42 Cb 0.29 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 1y44 h THR 42 CO 0.08 0.30 -0.26 0.06 0.37 0.00 0.00 175.52 176.06 1y44 h GLN 43 N 1.20 0.25 -0.52 6.66 3.07 -1.87 -2.43 115.11 121.47 1y44 h GLN 43 Ca 0.30 -0.08 -0.07 0.00 0.09 0.00 0.00 58.65 58.89 1y44 h GLN 43 Cb 0.07 -0.02 -0.02 0.00 0.08 0.00 0.00 27.48 27.59 1y44 h GLN 43 CO -0.04 0.50 0.06 0.45 0.09 0.00 0.00 178.83 179.89 1y44 h HIS 44 N 0.22 0.93 0.00 0.06 3.86 -1.77 -2.66 115.15 115.80 1y44 h HIS 44 Ca 0.03 -0.14 0.00 0.00 -1.16 0.00 0.00 60.37 59.11 1y44 h HIS 44 Cb 0.59 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.80 1y44 h HIS 44 CO 0.01 0.85 0.00 1.04 0.86 0.00 0.00 177.93 180.69 1y44 n GLN 45 N -4.37 0.14 0.00 2.45 1.13 -0.50 -3.99 117.38 112.25 1y44 n GLN 45 Ca 0.01 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.07 1y44 n GLN 45 Cb 0.28 -1.43 0.00 0.00 0.11 0.00 0.00 30.24 29.19 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 1.41 0.00 -1.50 1.08 4.77 -1.00 -3.84 117.00 117.92 1y44 n LEU 47 Ca 0.00 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.08 1y44 n LEU 47 Cb 0.07 -0.01 0.34 0.00 -2.33 0.00 0.00 43.42 41.49 1y44 n LEU 47 CO 0.00 0.00 0.80 1.41 -1.33 0.00 0.00 177.39 178.27 1y44 n HIS 48 N -0.08 1.33 -4.34 -1.77 8.25 -1.26 -4.93 115.22 112.43 1y44 n HIS 48 Ca 0.00 -0.55 -0.17 0.00 -0.26 0.00 0.00 57.72 56.74 1y44 n HIS 48 Cb 0.00 -0.18 -0.05 0.00 1.12 0.00 0.00 29.99 30.88 1y44 n HIS 48 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1y44 n THR 49 N 1.22 0.00 1.19 1.59 -2.24 -1.25 -5.03 114.28 109.76 1y44 n THR 49 Ca 0.25 -1.52 0.13 0.00 -2.27 0.00 0.00 64.05 60.63 1y44 n THR 49 Cb 0.80 0.51 0.25 0.00 -2.10 0.00 0.00 70.33 69.80 1y44 n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1y44 n THR 50 N -0.62 0.00 -2.68 4.28 -2.24 -1.26 -4.89 114.28 106.87 1y44 n THR 50 Ca -0.05 -0.33 -0.43 0.00 -2.27 0.00 0.00 64.05 60.97 1y44 n THR 50 Cb 0.39 1.00 -0.02 0.00 -2.10 0.00 0.00 70.33 69.60 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 -2.15 4.77 0.09 2.28 1.01 -1.26 -5.04 121.20 120.89 1y44 s ILE 51 Ca 0.29 2.04 0.05 0.00 0.00 0.00 0.00 60.65 63.03 1y44 s ILE 51 Cb 0.20 -4.31 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 1y44 s ILE 51 CO 0.39 -0.02 0.00 -0.54 0.00 0.00 0.00 174.94 174.77 1y44 s LYS 52 N 2.17 2.56 0.30 2.79 3.01 -1.26 -4.69 119.74 124.63 1y44 s LYS 52 Ca 0.48 -0.82 0.06 0.00 -1.01 0.00 0.00 55.97 54.67 1y44 s LYS 52 Cb -0.18 -2.55 0.76 0.00 -1.01 0.00 0.00 37.83 34.85 1y44 s LYS 52 CO 0.16 0.54 1.76 -1.35 0.51 0.00 0.00 175.35 176.98 1y44 h PRO 53 N 3.48 0.67 0.00 -1.68 0.11 -1.95 -0.66 132.00 131.97 1y44 h PRO 53 Ca -0.48 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 1y44 h PRO 53 Cb 1.16 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 1y44 h PRO 53 CO 0.60 0.44 -0.02 0.00 -0.21 0.00 0.00 178.00 178.81 1y44 h ARG 54 N 0.69 0.00 -0.00 1.05 3.08 -1.93 -1.59 114.38 115.68 1y44 h ARG 54 Ca 0.59 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.64 1y44 h ARG 54 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.02 1y44 h ARG 54 CO -0.41 0.02 -0.08 1.63 -1.07 0.00 0.00 179.97 180.06 1y44 n LYS 55 N -3.73 0.03 -2.47 0.04 4.76 -0.26 -4.75 118.16 111.79 1y44 n LYS 55 Ca -0.03 -0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 54.98 1y44 n LYS 55 Cb 0.11 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 31.78 1y44 n LYS 55 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1y44 s ILE 56 N -2.97 4.26 -0.19 -0.18 -1.09 -0.60 -0.98 121.20 119.44 1y44 s ILE 56 Ca 0.15 1.46 0.05 0.00 -2.23 0.00 0.00 60.65 60.07 1y44 s ILE 56 Cb 0.19 -4.16 -0.22 0.00 -1.58 0.00 0.00 42.46 36.69 1y44 s ILE 56 CO 0.55 -0.38 0.07 1.21 -1.23 0.00 0.00 174.94 175.17 1y44 n GLU 57 N 7.03 0.68 -3.86 2.79 2.13 -0.63 -4.84 120.64 123.92 1y44 n GLU 57 Ca 0.14 0.15 -0.11 0.00 0.66 0.00 0.00 57.16 58.00 1y44 n GLU 57 Cb 0.46 -1.59 -0.10 0.00 0.27 0.00 0.00 31.44 30.48 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 -2.53 0.51 -0.06 5.31 1.02 -1.25 -2.07 119.74 120.66 1y44 s LYS 58 Ca -0.23 -0.40 0.02 0.00 0.02 0.00 0.00 55.97 55.38 1y44 s LYS 58 Cb 0.08 0.21 0.02 0.00 -0.52 0.00 0.00 37.83 37.61 1y44 s LYS 58 CO 0.72 -0.12 -0.09 0.42 -0.92 0.00 0.00 175.35 175.36 1y44 s ILE 59 N -1.44 0.87 -0.19 2.17 1.01 -0.30 -1.30 121.20 122.02 1y44 s ILE 59 Ca -0.14 -0.32 -0.02 0.00 0.00 0.00 0.00 60.65 60.17 1y44 s ILE 59 Cb -0.07 -0.84 -0.00 0.00 0.01 0.00 0.00 42.46 41.56 1y44 s ILE 59 CO 0.02 0.30 -0.09 -0.36 0.00 0.00 0.00 174.94 174.80 1y44 s PHE 60 N 0.82 2.89 -0.25 3.97 0.08 0.71 -0.60 117.98 125.60 1y44 s PHE 60 Ca -0.12 -0.98 -0.09 0.00 0.12 0.00 0.00 56.93 55.86 1y44 s PHE 60 Cb -0.15 -2.00 -0.04 0.00 -0.57 0.00 0.00 43.02 40.26 1y44 s PHE 60 CO 0.02 -0.50 0.11 0.42 -0.10 0.00 0.00 175.22 175.17 1y44 s ILE 61 N 1.13 4.73 0.08 0.64 -1.09 0.75 0.37 121.20 127.82 1y44 s ILE 61 Ca 0.01 -0.03 -0.17 0.00 -2.23 0.00 0.00 60.65 58.23 1y44 s ILE 61 Cb -0.14 -3.22 -0.09 0.00 -1.58 0.00 0.00 42.46 37.43 1y44 s ILE 61 CO -0.03 0.32 1.44 0.71 -1.23 0.00 0.00 174.94 176.16 1y44 h THR 62 N 5.39 1.30 0.00 2.92 1.35 -1.87 -3.39 112.91 118.61 1y44 h THR 62 Ca -0.37 -1.25 0.00 0.00 -0.55 0.00 0.00 66.41 64.24 1y44 h THR 62 Cb 1.18 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 69.16 1y44 h THR 62 CO 0.59 0.39 0.00 0.00 -0.25 0.00 0.00 175.52 176.25 1y44 n HIS 63 N -4.44 0.00 -0.89 4.73 1.44 -1.26 -0.92 115.22 113.88 1y44 n HIS 63 Ca -0.04 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.67 1y44 n HIS 63 Cb 0.37 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.48 1y44 n HIS 63 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1y44 n HIS 65 N 0.00 -2.45 -0.34 -1.40 8.25 -1.26 -4.72 115.22 113.30 1y44 n HIS 65 Ca 0.00 1.31 0.20 0.00 -0.26 0.00 0.00 57.72 58.97 1y44 n HIS 65 Cb 0.00 -2.40 0.43 0.00 1.12 0.00 0.00 29.99 29.13 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 0.90 1.88 0.36 -1.41 0.00 -1.98 -0.56 103.07 102.26 1y44 h GLY 66 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1y44 h GLY 66 CO 0.00 -0.30 0.00 2.09 0.00 0.00 0.00 176.54 178.33 1y44 n ASP 67 N -4.90 0.00 0.00 0.19 5.75 -1.26 -1.85 116.55 114.47 1y44 n ASP 67 Ca 0.28 -0.96 0.00 0.00 -0.01 0.00 0.00 54.79 54.10 1y44 n ASP 67 Cb 0.84 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.93 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 -0.68 0.00 0.00 2.11 8.25 -0.23 -2.95 115.22 121.72 1y44 n HIS 68 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 1y44 n HIS 68 Cb 0.02 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.13 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 -0.36 0.00 0.13 1.59 0.24 -0.95 -0.25 118.33 118.73 1y44 n VAL 69 Ca 0.00 -0.01 0.08 0.00 -2.04 0.00 0.00 64.34 62.37 1y44 n VAL 69 Cb 0.04 0.21 0.41 0.00 -1.47 0.00 0.00 33.84 33.03 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 -0.28 0.52 1.11 6.34 4.01 -0.77 -1.54 117.16 126.54 1y44 n TYR 70 Ca 0.00 0.27 0.13 0.00 -0.16 0.00 0.00 57.90 58.14 1y44 n TYR 70 Cb 0.00 -0.93 0.40 0.00 -0.31 0.00 0.00 39.34 38.50 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 -1.29 -1.13 0.22 2.72 0.00 0.03 -4.38 105.19 101.35 1y44 n GLY 71 Ca -0.01 -0.30 -0.15 0.00 0.00 0.00 0.00 46.02 45.56 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 0.31 -0.43 -0.55 0.99 3.38 -1.34 -1.98 115.31 115.69 1y44 h LEU 72 Ca 0.00 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.09 1y44 h LEU 72 Cb 0.48 0.13 -0.08 0.00 0.09 0.00 0.00 40.66 41.28 1y44 h LEU 72 CO 0.00 -0.28 0.12 -0.65 0.09 0.00 0.00 178.44 177.72 1y44 h PRO 73 N -0.45 0.25 -0.02 1.13 0.11 -1.80 0.64 132.00 131.86 1y44 h PRO 73 Ca -0.03 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.06 1y44 h PRO 73 Cb 0.37 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.42 1y44 h PRO 73 CO 0.04 0.16 0.01 0.78 -0.21 0.00 0.00 178.00 178.78 1y44 h GLY 74 N 0.26 0.04 0.88 -0.55 0.00 -1.81 -0.65 103.07 101.24 1y44 h GLY 74 Ca 0.28 -0.02 0.01 0.00 0.00 0.00 0.00 47.33 47.60 1y44 h GLY 74 CO -0.36 0.02 0.05 -2.00 0.00 0.00 0.00 176.54 174.25 1y44 h LEU 75 N -0.15 0.05 -0.66 3.11 5.85 -0.96 0.24 115.31 122.79 1y44 h LEU 75 Ca 0.01 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.76 1y44 h LEU 75 Cb 0.19 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 1y44 h LEU 75 CO -0.00 0.05 0.43 -0.07 -0.34 0.00 0.00 178.44 178.51 1y44 h LEU 76 N 0.12 0.72 0.00 2.25 3.38 -0.86 -1.43 115.31 119.49 1y44 h LEU 76 Ca 0.06 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.03 1y44 h LEU 76 Cb 0.04 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1y44 h LEU 76 CO -0.07 0.51 -0.03 1.23 0.09 0.00 0.00 178.44 180.18 1y44 h GLY 77 N 0.86 -0.03 1.01 0.83 0.00 -0.49 -2.30 103.07 102.94 1y44 h GLY 77 Ca 0.25 0.04 0.01 0.00 0.00 0.00 0.00 47.33 47.62 1y44 h GLY 77 CO -0.07 -0.04 0.55 1.76 0.00 0.00 0.00 176.54 178.74 1y44 h SER 78 N -0.06 0.97 -0.69 0.19 0.02 -0.27 0.20 113.55 113.91 1y44 h SER 78 Ca 0.01 -0.03 0.07 0.00 -0.84 0.00 0.00 61.79 61.00 1y44 h SER 78 Cb 0.07 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.33 1y44 h SER 78 CO -0.03 0.70 0.46 -0.09 -1.14 0.00 0.00 176.83 176.73 1y44 h ARG 79 N 1.14 0.66 0.01 3.45 2.43 -1.03 0.15 114.38 121.19 1y44 h ARG 79 Ca 0.31 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.40 1y44 h ARG 79 Cb -0.13 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.28 1y44 h ARG 79 CO -0.07 0.44 -0.15 1.03 -1.51 0.00 0.00 179.97 179.71 1y44 h SER 80 N 0.68 0.12 -1.03 -3.80 0.87 -0.76 -1.43 113.55 108.20 1y44 h SER 80 Ca 0.30 -0.85 0.26 0.00 -1.23 0.00 0.00 61.79 60.28 1y44 h SER 80 Cb 0.30 -0.04 -0.11 0.00 -0.44 0.00 0.00 62.40 62.11 1y44 h SER 80 CO -0.10 0.95 0.63 0.15 -0.53 0.00 0.00 176.83 177.94 1y44 h PHE 81 N -0.70 0.86 -0.12 2.24 3.57 0.08 0.24 116.94 123.10 1y44 h PHE 81 Ca -0.02 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1y44 h PHE 81 Cb 0.99 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.48 1y44 h PHE 81 CO 0.21 0.05 0.00 1.04 -2.23 0.00 0.00 178.31 177.38 1y44 n GLN 82 N -4.78 1.46 -0.69 1.11 6.02 0.47 -4.94 117.38 116.03 1y44 n GLN 82 Ca 0.27 -0.70 0.00 0.00 -0.01 0.00 0.00 57.00 56.56 1y44 n GLN 82 Cb 0.83 -1.33 0.00 0.00 1.02 0.00 0.00 30.24 30.76 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 0.98 0.64 3.75 1.08 0.00 0.84 -5.03 105.19 107.45 1y44 n GLY 83 Ca 0.14 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1y44 n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y44 n GLY 84 N -2.69 1.35 0.00 -0.02 0.00 -0.54 -4.90 105.19 98.38 1y44 n GLY 84 Ca 0.00 0.44 0.01 0.00 0.00 0.00 0.00 46.02 46.47 1y44 n GLY 84 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1y44 n GLU 85 N 1.88 5.48 -2.45 1.61 1.02 -1.26 -3.64 120.64 123.28 1y44 n GLU 85 Ca 0.07 -0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.84 1y44 n GLU 85 Cb 0.37 -0.65 -0.03 0.00 -0.02 0.00 0.00 31.44 31.11 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 -1.32 6.53 0.42 1.62 1.11 -1.26 -4.36 116.67 119.42 1y44 s ASP 86 Ca 0.00 2.12 -0.26 0.00 0.18 0.00 0.00 52.55 54.60 1y44 s ASP 86 Cb 0.01 -2.59 -0.09 0.00 1.07 0.00 0.00 42.92 41.33 1y44 s ASP 86 CO 0.08 -0.65 1.37 -0.70 1.18 0.00 0.00 175.17 176.44 1y44 s GLU 87 N -2.61 3.86 -0.05 8.23 2.12 -1.26 -4.51 118.70 124.48 1y44 s GLU 87 Ca 0.60 2.30 0.04 0.00 0.36 0.00 0.00 54.97 58.28 1y44 s GLU 87 Cb -0.24 -2.74 -0.00 0.00 0.26 0.00 0.00 34.13 31.41 1y44 s GLU 87 CO 0.30 -0.63 -0.18 -1.17 -0.54 0.00 0.00 175.26 173.03 1y44 s LEU 88 N -2.52 1.92 -0.12 2.70 2.96 -0.91 -4.83 118.68 117.89 1y44 s LEU 88 Ca 0.58 -0.39 0.02 0.00 -0.22 0.00 0.00 54.13 54.12 1y44 s LEU 88 Cb -0.41 -1.06 -0.00 0.00 0.50 0.00 0.00 46.19 45.22 1y44 s LEU 88 CO 0.53 0.15 -0.20 -0.89 -1.32 0.00 0.00 176.35 174.63 1y44 s THR 89 N 0.12 2.42 -0.17 3.68 2.01 -0.88 -1.49 115.64 121.34 1y44 s THR 89 Ca -0.07 -0.89 -0.02 0.00 0.31 0.00 0.00 61.69 61.02 1y44 s THR 89 Cb -0.13 -1.97 -0.02 0.00 0.01 0.00 0.00 72.50 70.40 1y44 s THR 89 CO 0.03 0.54 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.74 1y44 s VAL 90 N 0.41 3.42 -0.09 3.82 1.01 0.16 -1.15 120.40 127.97 1y44 s VAL 90 Ca -0.15 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.34 1y44 s VAL 90 Cb -0.17 -2.49 -0.02 0.00 0.00 0.00 0.00 36.38 33.70 1y44 s VAL 90 CO 0.07 0.48 -0.13 -0.31 0.00 0.00 0.00 175.10 175.21 1y44 s TYR 91 N 0.70 2.76 0.06 5.22 1.51 0.23 0.38 117.35 128.22 1y44 s TYR 91 Ca -0.04 -0.39 -0.27 0.00 -1.01 0.00 0.00 57.07 55.36 1y44 s TYR 91 Cb -0.15 -1.74 0.10 0.00 -0.11 0.00 0.00 41.96 40.06 1y44 s TYR 91 CO 0.02 -0.00 1.16 0.20 -1.11 0.00 0.00 175.55 175.82 1y44 s GLY 92 N -0.21 -0.25 0.89 0.71 0.00 -0.19 -0.18 107.32 108.10 1y44 s GLY 92 Ca 0.01 0.29 -0.11 0.00 0.00 0.00 0.00 44.72 44.91 1y44 s GLY 92 CO 0.03 1.13 1.10 2.56 0.00 0.00 0.00 173.10 177.91 1y44 s PRO 93 N -2.57 1.28 0.19 2.90 0.04 -1.26 -0.61 135.00 134.97 1y44 s PRO 93 Ca 0.17 1.12 -0.32 0.00 0.04 0.00 0.00 61.00 62.01 1y44 s PRO 93 Cb 0.01 -1.79 -0.15 0.00 0.04 0.00 0.00 34.50 32.61 1y44 s PRO 93 CO -0.00 -2.31 1.17 1.17 0.04 0.00 0.00 177.00 177.06 1y44 n LYS 94 N -3.97 1.28 0.00 4.56 4.81 -1.26 -1.54 118.16 122.05 1y44 n LYS 94 Ca 0.08 0.46 0.00 0.00 -0.87 0.00 0.00 58.31 57.98 1y44 n LYS 94 Cb 0.54 -1.95 0.00 0.00 0.02 0.00 0.00 35.03 33.63 1y44 n LYS 94 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1y44 n GLY 95 N 1.94 2.42 0.36 3.14 0.00 -1.26 -4.93 105.19 106.85 1y44 n GLY 95 Ca 0.14 0.00 -0.01 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 1.24 -0.16 -0.61 -0.00 -1.59 -1.02 117.51 115.37 1y44 h ILE 96 Ca 0.00 -0.46 -0.02 0.00 -0.00 0.00 0.00 64.86 64.39 1y44 h ILE 96 Cb 0.00 -0.06 -0.01 0.00 -0.00 0.00 0.00 36.82 36.75 1y44 h ILE 96 CO 0.00 0.23 0.04 0.50 -0.00 0.00 0.00 178.15 178.92 1y44 h LYS 97 N 1.22 0.26 -0.81 2.19 3.64 -1.92 -2.20 116.57 118.94 1y44 h LYS 97 Ca 0.32 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.65 1y44 h LYS 97 Cb -0.11 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.64 1y44 h LYS 97 CO -0.07 0.41 0.53 0.00 -2.27 0.00 0.00 179.45 178.05 1y44 h ALA 98 N 0.84 1.03 0.47 5.00 0.00 -1.88 0.47 119.26 125.18 1y44 h ALA 98 Ca 0.05 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1y44 h ALA 98 Cb 0.27 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1y44 h ALA 98 CO 0.00 0.45 -0.24 0.35 0.00 0.00 0.00 179.25 179.81 1y44 h PHE 99 N 1.10 -0.62 -0.07 0.00 3.57 -1.05 -1.46 116.94 118.41 1y44 h PHE 99 Ca 0.30 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.78 1y44 h PHE 99 Cb -0.11 0.21 -0.00 0.00 2.79 0.00 0.00 35.95 38.84 1y44 h PHE 99 CO -0.01 -0.38 0.02 0.82 -2.23 0.00 0.00 178.31 176.52 1y44 h ILE 100 N -0.65 1.19 -0.69 1.41 2.04 -1.27 -2.47 117.51 117.07 1y44 h ILE 100 Ca -0.06 -0.58 0.01 0.00 1.00 0.00 0.00 64.86 65.23 1y44 h ILE 100 Cb 0.51 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.99 1y44 h ILE 100 CO 0.09 0.16 0.45 -0.33 0.00 0.00 0.00 178.15 178.53 1y44 h GLU 101 N -0.09 0.89 -0.21 2.37 5.08 -0.91 -1.61 114.58 120.10 1y44 h GLU 101 Ca 0.02 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1y44 h GLU 101 Cb 0.24 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1y44 h GLU 101 CO 0.00 0.59 0.09 1.15 -1.00 0.00 0.00 179.01 179.84 1y44 h THR 102 N 0.92 1.15 -0.84 1.13 2.02 -1.28 -0.35 112.91 115.66 1y44 h THR 102 Ca 0.26 -0.45 0.09 0.00 0.77 0.00 0.00 66.41 67.08 1y44 h THR 102 Cb -0.09 1.06 -0.07 0.00 -1.74 0.00 0.00 68.15 67.31 1y44 h THR 102 CO -0.06 0.15 0.50 0.28 0.37 0.00 0.00 175.52 176.75 1y44 h SER 103 N 0.20 0.74 0.52 4.18 0.02 -1.10 -0.47 113.55 117.64 1y44 h SER 103 Ca 0.07 0.04 -0.22 0.00 -0.84 0.00 0.00 61.79 60.84 1y44 h SER 103 Cb 0.15 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.58 1y44 h SER 103 CO -0.01 0.43 -0.98 -0.07 -1.14 0.00 0.00 176.83 175.07 1y44 h LEU 104 N 0.86 0.38 -0.08 5.07 3.38 -1.13 -3.21 115.31 120.58 1y44 h LEU 104 Ca 0.40 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1y44 h LEU 104 Cb 0.32 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1y44 h LEU 104 CO -0.23 1.16 -0.05 0.00 0.09 0.00 0.00 178.44 179.41 1y44 h ALA 105 N 0.81 0.11 0.00 1.53 0.00 -0.56 0.11 119.26 121.26 1y44 h ALA 105 Ca -0.07 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1y44 h ALA 105 Cb 1.64 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.40 1y44 h ALA 105 CO 0.16 -0.11 -0.07 -0.39 0.00 0.00 0.00 179.25 178.84 1y44 h VAL 106 N -0.21 0.37 -0.51 0.00 -1.51 -1.21 -1.11 116.25 112.06 1y44 h VAL 106 Ca 0.02 -0.36 0.00 0.00 -1.23 0.00 0.00 66.70 65.12 1y44 h VAL 106 Cb 0.52 1.26 0.00 0.00 -2.13 0.00 0.00 31.29 30.94 1y44 h VAL 106 CO 0.01 0.06 0.00 0.35 -1.23 0.00 0.00 177.57 176.77 1y44 n THR 107 N -3.48 0.67 -3.95 7.19 -2.24 -1.19 -4.95 114.28 106.32 1y44 n THR 107 Ca -0.02 -0.84 -0.28 0.00 -2.27 0.00 0.00 64.05 60.64 1y44 n THR 107 Cb 0.20 0.83 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 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 1.58 -4.18 -3.01 -0.78 5.02 -0.42 -4.92 118.16 111.45 1y44 n LYS 108 Ca 0.21 0.49 -0.41 0.00 -2.02 0.00 0.00 58.31 56.59 1y44 n LYS 108 Cb 0.62 -5.03 -0.05 0.00 -0.02 0.00 0.00 35.03 30.55 1y44 n LYS 108 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1y44 s THR 109 N -3.58 4.96 -0.36 -0.18 2.01 0.34 -5.03 115.64 113.80 1y44 s THR 109 Ca 0.34 1.39 -0.03 0.00 0.31 0.00 0.00 61.69 63.70 1y44 s THR 109 Cb -0.18 -4.03 0.08 0.00 0.01 0.00 0.00 72.50 68.38 1y44 s THR 109 CO 0.87 0.07 0.11 -1.00 -0.69 0.00 0.00 174.62 173.98 1y44 s HIS 110 N 2.00 3.41 0.38 4.92 3.76 -1.26 -4.77 115.29 123.74 1y44 s HIS 110 Ca 0.33 -2.06 -0.27 0.00 -0.15 0.00 0.00 55.06 52.92 1y44 s HIS 110 Cb -0.16 -2.65 -0.09 0.00 1.11 0.00 0.00 32.58 30.79 1y44 s HIS 110 CO 0.11 -0.87 1.30 -0.51 -0.85 0.00 0.00 174.74 173.92 1y44 s LEU 111 N 1.22 4.28 0.00 0.89 1.02 -1.26 -4.92 118.68 119.91 1y44 s LEU 111 Ca 0.02 2.66 0.30 0.00 0.02 0.00 0.00 54.13 57.13 1y44 s LEU 111 Cb -0.21 -3.83 1.53 0.00 0.02 0.00 0.00 46.19 43.70 1y44 s LEU 111 CO -0.02 -0.75 2.02 0.35 0.02 0.00 0.00 176.35 177.97 1y44 n THR 112 N 0.33 0.00 -4.19 5.49 -2.24 -1.26 -4.85 114.28 107.55 1y44 n THR 112 Ca 0.03 -0.09 -0.12 0.00 -2.27 0.00 0.00 64.05 61.60 1y44 n THR 112 Cb 0.43 -0.12 -0.10 0.00 -2.10 0.00 0.00 70.33 68.44 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 -2.08 1.01 0.23 4.78 -0.85 -1.24 -4.53 117.35 114.67 1y44 s TYR 113 Ca 0.42 -0.89 -0.30 0.00 -0.52 0.00 0.00 57.07 55.78 1y44 s TYR 113 Cb 0.21 -0.56 -0.09 0.00 0.38 0.00 0.00 41.96 41.91 1y44 s TYR 113 CO 0.38 -0.10 1.05 -1.25 -1.52 0.00 0.00 175.55 174.11 1y44 s PRO 114 N -3.82 4.69 -0.14 -3.49 0.04 -1.26 -4.97 135.00 126.05 1y44 s PRO 114 Ca 0.14 1.68 0.02 0.00 0.04 0.00 0.00 61.00 62.88 1y44 s PRO 114 Cb 0.05 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.34 1y44 s PRO 114 CO -0.03 0.26 -0.20 -1.17 0.04 0.00 0.00 177.00 175.89 1y44 s LEU 115 N -1.00 2.22 -0.10 -3.56 2.96 -1.26 -2.13 118.68 115.81 1y44 s LEU 115 Ca 0.45 -0.56 0.01 0.00 -0.22 0.00 0.00 54.13 53.81 1y44 s LEU 115 Cb -0.29 -1.47 -0.02 0.00 0.50 0.00 0.00 46.19 44.90 1y44 s LEU 115 CO 0.36 0.09 -0.12 0.00 -1.32 0.00 0.00 176.35 175.37 1y44 s ALA 116 N 0.74 2.71 -0.17 5.97 0.00 -0.55 -5.00 121.76 125.45 1y44 s ALA 116 Ca -0.08 -0.91 0.01 0.00 0.00 0.00 0.00 51.96 50.98 1y44 s ALA 116 Cb -0.16 -1.16 0.02 0.00 0.00 0.00 0.00 23.12 21.82 1y44 s ALA 116 CO 0.00 0.39 -0.20 0.42 0.00 0.00 0.00 175.76 176.37 1y44 s ILE 117 N -0.15 2.05 -0.34 0.00 1.01 -1.26 -0.67 121.20 121.84 1y44 s ILE 117 Ca -0.00 -0.94 -0.06 0.00 0.00 0.00 0.00 60.65 59.66 1y44 s ILE 117 Cb -0.13 -1.84 0.05 0.00 0.01 0.00 0.00 42.46 40.54 1y44 s ILE 117 CO 0.03 0.54 0.10 -1.10 0.00 0.00 0.00 174.94 174.51 1y44 s GLN 118 N 1.22 2.56 -0.47 2.79 -1.52 0.16 -4.97 119.66 119.43 1y44 s GLN 118 Ca 0.03 -1.24 -0.26 0.00 -1.95 0.00 0.00 55.36 51.94 1y44 s GLN 118 Cb -0.13 -3.43 0.03 0.00 -0.22 0.00 0.00 33.01 29.25 1y44 s GLN 118 CO -0.11 -0.69 0.97 -1.21 -0.25 0.00 0.00 175.29 174.00 1y44 s GLU 119 N 1.37 3.55 0.85 2.91 2.02 -1.25 -1.02 118.70 127.13 1y44 s GLU 119 Ca -0.02 0.21 -0.12 0.00 0.02 0.00 0.00 54.97 55.06 1y44 s GLU 119 Cb -0.20 -3.93 0.12 0.00 0.10 0.00 0.00 34.13 30.22 1y44 s GLU 119 CO 0.02 -1.29 1.21 0.96 0.02 0.00 0.00 175.26 176.18 1y44 s ILE 120 N 3.94 2.04 0.06 -1.63 -4.36 0.22 -4.87 121.20 116.59 1y44 s ILE 120 Ca 0.39 -0.05 -0.05 0.00 -0.26 0.00 0.00 60.65 60.68 1y44 s ILE 120 Cb -0.10 -2.98 -0.02 0.00 1.25 0.00 0.00 42.46 40.61 1y44 s ILE 120 CO 0.27 0.00 0.08 -0.70 0.24 0.00 0.00 174.94 174.82 1y44 s GLU 121 N -5.64 0.69 0.33 0.37 2.12 -1.26 -4.59 118.70 110.72 1y44 s GLU 121 Ca 0.66 -1.03 -0.28 0.00 0.36 0.00 0.00 54.97 54.68 1y44 s GLU 121 Cb -0.08 0.26 -0.13 0.00 0.26 0.00 0.00 34.13 34.45 1y44 s GLU 121 CO 0.50 -0.18 1.24 -1.91 -0.54 0.00 0.00 175.26 174.37 1y44 n GLU 122 N 0.17 1.98 0.00 4.30 2.13 -1.26 -4.71 120.64 123.25 1y44 n GLU 122 Ca -0.15 0.69 0.00 0.00 0.66 0.00 0.00 57.16 58.36 1y44 n GLU 122 Cb 0.61 -2.23 0.00 0.00 0.27 0.00 0.00 31.44 30.09 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 0.88 0.59 3.68 8.31 0.00 0.19 -4.95 105.19 113.89 1y44 n GLY 123 Ca 0.06 -2.22 -0.42 0.00 0.00 0.00 0.00 46.02 43.43 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 -0.49 4.25 -0.14 -0.61 1.01 -1.26 0.84 121.20 124.80 1y44 s ILE 124 Ca 0.00 1.57 0.17 0.00 0.00 0.00 0.00 60.65 62.40 1y44 s ILE 124 Cb 0.00 -4.01 -0.25 0.00 0.01 0.00 0.00 42.46 38.21 1y44 s ILE 124 CO 0.00 -0.02 0.16 1.33 0.00 0.00 0.00 174.94 176.41 1y44 n VAL 125 N 4.72 0.95 -3.72 2.92 0.24 0.31 -4.92 118.33 118.83 1y44 n VAL 125 Ca 0.11 -0.71 -0.13 0.00 -2.04 0.00 0.00 64.34 61.57 1y44 n VAL 125 Cb 0.46 -0.36 -0.10 0.00 -1.47 0.00 0.00 33.84 32.37 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 -2.69 -0.43 -0.25 6.34 5.36 -1.11 -5.02 117.98 120.18 1y44 s PHE 126 Ca -0.09 1.01 -0.16 0.00 -0.96 0.00 0.00 56.93 56.73 1y44 s PHE 126 Cb 0.07 0.16 0.07 0.00 -0.34 0.00 0.00 43.02 42.99 1y44 s PHE 126 CO 0.78 -0.27 0.63 -2.00 -1.46 0.00 0.00 175.22 172.90 1y44 s GLU 127 N -0.07 0.66 0.06 10.12 2.12 -1.26 0.19 118.70 130.53 1y44 s GLU 127 Ca -0.03 1.06 0.01 0.00 0.36 0.00 0.00 54.97 56.37 1y44 s GLU 127 Cb -0.03 0.17 -0.00 0.00 0.26 0.00 0.00 34.13 34.52 1y44 s GLU 127 CO 0.02 -0.14 0.05 -0.40 -0.54 0.00 0.00 175.26 174.25 1y44 n ASP 128 N 3.88 0.10 0.00 -1.70 5.68 -0.16 -4.99 116.55 119.36 1y44 n ASP 128 Ca -0.19 -1.39 0.05 0.00 -0.50 0.00 0.00 54.79 52.76 1y44 n ASP 128 Cb 0.57 0.28 0.26 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 -2.60 0.00 -0.03 -1.12 8.00 -1.26 -3.42 116.55 116.12 1y44 n ASP 129 Ca 0.01 0.34 -0.03 0.00 0.71 0.00 0.00 54.79 55.83 1y44 n ASP 129 Cb 0.11 -0.41 -0.05 0.00 -0.02 0.00 0.00 41.12 40.75 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 -1.41 2.68 -4.05 -1.24 7.27 -1.26 -4.88 117.38 114.49 1y44 n GLN 130 Ca 0.04 -0.01 -0.08 0.00 0.07 0.00 0.00 57.00 57.02 1y44 n GLN 130 Cb 0.11 -1.17 -0.10 0.00 2.41 0.00 0.00 30.24 31.49 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 -2.19 0.42 -0.11 3.69 0.08 -1.22 -1.80 117.98 116.84 1y44 s PHE 131 Ca -0.03 -0.84 -0.02 0.00 0.12 0.00 0.00 56.93 56.16 1y44 s PHE 131 Cb 0.02 -0.31 0.04 0.00 -0.57 0.00 0.00 43.02 42.20 1y44 s PHE 131 CO 0.27 -0.29 0.01 -1.50 -0.10 0.00 0.00 175.22 173.61 1y44 s ILE 132 N -2.86 0.42 -0.19 0.64 1.10 -0.20 -0.99 121.20 119.12 1y44 s ILE 132 Ca -0.03 -0.10 -0.03 0.00 -0.51 0.00 0.00 60.65 59.98 1y44 s ILE 132 Cb 0.00 -0.70 -0.01 0.00 0.15 0.00 0.00 42.46 41.90 1y44 s ILE 132 CO -0.06 0.10 -0.06 -0.69 -2.11 0.00 0.00 174.94 172.12 1y44 s VAL 133 N 1.94 3.41 0.08 4.00 1.01 0.13 -1.17 120.40 129.79 1y44 s VAL 133 Ca 0.03 -0.50 0.10 0.00 0.00 0.00 0.00 61.98 61.61 1y44 s VAL 133 Cb -0.14 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 1y44 s VAL 133 CO -0.06 0.46 -0.26 0.42 0.00 0.00 0.00 175.10 175.66 1y44 s THR 134 N 1.01 2.10 0.05 3.92 -4.23 -0.58 -0.53 115.64 117.38 1y44 s THR 134 Ca 0.00 -1.50 0.08 0.00 -1.18 0.00 0.00 61.69 59.09 1y44 s THR 134 Cb -0.15 -1.83 -0.03 0.00 1.34 0.00 0.00 72.50 71.83 1y44 s THR 134 CO 0.00 0.23 -0.20 0.00 -0.54 0.00 0.00 174.62 174.11 1y44 s ALA 135 N -0.91 2.53 0.02 3.99 0.00 0.25 -0.59 121.76 127.05 1y44 s ALA 135 Ca 0.12 -1.24 0.02 0.00 0.00 0.00 0.00 51.96 50.86 1y44 s ALA 135 Cb -0.10 -0.66 -0.01 0.00 0.00 0.00 0.00 23.12 22.34 1y44 s ALA 135 CO 0.03 0.57 -0.08 0.54 0.00 0.00 0.00 175.76 176.82 1y44 s VAL 136 N -0.93 0.58 0.13 0.00 0.11 -0.32 0.55 120.40 120.52 1y44 s VAL 136 Ca 0.14 -0.67 -0.31 0.00 -2.93 0.00 0.00 61.98 58.22 1y44 s VAL 136 Cb -0.10 -0.56 -0.08 0.00 -1.53 0.00 0.00 36.38 34.11 1y44 s VAL 136 CO 0.05 -0.08 1.36 -0.44 -3.33 0.00 0.00 175.10 172.65 1y44 s SER 137 N -0.83 6.86 0.00 3.54 0.01 -1.26 -0.01 113.70 122.01 1y44 s SER 137 Ca -0.03 2.32 0.00 0.00 1.31 0.00 0.00 55.95 59.56 1y44 s SER 137 Cb -0.06 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.58 1y44 s SER 137 CO 0.00 -0.61 0.00 1.33 0.41 0.00 0.00 173.24 174.37 1y44 n VAL 138 N 3.62 0.00 -3.77 3.43 0.24 -0.62 -4.80 118.33 116.43 1y44 n VAL 138 Ca 0.10 0.00 -0.36 0.00 -2.04 0.00 0.00 64.34 62.04 1y44 n VAL 138 Cb 0.43 -0.46 -0.11 0.00 -1.47 0.00 0.00 33.84 32.22 1y44 n VAL 138 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1y44 s ILE 139 N 0.04 3.37 0.00 1.34 1.01 -1.26 -4.69 121.20 121.01 1y44 s ILE 139 Ca 0.00 -2.33 0.00 0.00 0.00 0.00 0.00 60.65 58.32 1y44 s ILE 139 Cb 0.00 -3.28 0.00 0.00 0.01 0.00 0.00 42.46 39.19 1y44 s ILE 139 CO 0.00 -0.74 0.61 1.57 0.00 0.00 0.00 174.94 176.38 1y44 n HIS 140 N 4.26 0.00 0.00 3.97 -0.00 -1.26 0.30 115.22 122.49 1y44 n HIS 140 Ca 0.01 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.19 1y44 n HIS 140 Cb 0.40 0.02 0.00 0.00 -0.12 0.00 0.00 29.99 30.29 1y44 n HIS 140 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1y44 n GLY 141 N 0.00 2.34 3.68 1.57 0.00 -1.26 -4.88 105.19 106.63 1y44 n GLY 141 Ca 0.00 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 1y44 n GLY 141 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1y44 s VAL 142 N 0.00 2.50 0.05 1.61 -7.23 -1.26 -4.86 120.40 111.21 1y44 s VAL 142 Ca 0.00 0.16 -0.30 0.00 -1.81 0.00 0.00 61.98 60.03 1y44 s VAL 142 Cb 0.00 -2.41 -0.09 0.00 0.56 0.00 0.00 36.38 34.44 1y44 s VAL 142 CO 0.00 -0.21 1.87 -0.70 -0.31 0.00 0.00 175.10 175.75 1y44 s GLU 143 N -4.75 4.15 0.03 4.82 2.12 -1.26 -4.95 118.70 118.86 1y44 s GLU 143 Ca 0.65 2.53 0.01 0.00 0.36 0.00 0.00 54.97 58.53 1y44 s GLU 143 Cb -0.21 -3.96 -0.02 0.00 0.26 0.00 0.00 34.13 30.20 1y44 s GLU 143 CO 0.58 -0.90 -0.06 0.00 -0.54 0.00 0.00 175.26 174.34 1y44 s ALA 144 N 3.86 0.42 0.13 6.30 0.00 -1.26 -4.67 121.76 126.53 1y44 s ALA 144 Ca 0.84 -0.68 0.05 0.00 0.00 0.00 0.00 51.96 52.16 1y44 s ALA 144 Cb -0.42 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 1y44 s ALA 144 CO 0.38 -0.06 -0.12 -0.06 0.00 0.00 0.00 175.76 175.91 1y44 s PHE 145 N -1.34 1.26 0.18 0.00 0.08 -0.10 -1.58 117.98 116.48 1y44 s PHE 145 Ca -0.11 -0.65 0.09 0.00 0.12 0.00 0.00 56.93 56.38 1y44 s PHE 145 Cb -0.10 -0.66 -0.04 0.00 -0.57 0.00 0.00 43.02 41.65 1y44 s PHE 145 CO -0.00 0.09 -0.13 0.20 -0.10 0.00 0.00 175.22 175.28 1y44 s GLY 146 N -2.72 1.72 0.05 4.36 0.00 0.99 -4.48 107.32 107.24 1y44 s GLY 146 Ca 0.11 -1.50 0.06 0.00 0.00 0.00 0.00 44.72 43.38 1y44 s GLY 146 CO 0.01 -1.52 -0.16 -0.19 0.00 0.00 0.00 173.10 171.24 1y44 s TYR 147 N -1.67 1.43 -0.12 1.90 2.02 0.84 -1.17 117.35 120.57 1y44 s TYR 147 Ca 0.24 -0.37 0.02 0.00 -0.37 0.00 0.00 57.07 56.58 1y44 s TYR 147 Cb -0.09 -0.84 0.01 0.00 -0.40 0.00 0.00 41.96 40.65 1y44 s TYR 147 CO 0.14 0.07 -0.16 0.50 -1.57 0.00 0.00 175.55 174.52 1y44 s ARG 148 N -1.28 2.40 -0.37 -0.62 3.52 0.25 0.30 118.95 123.14 1y44 s ARG 148 Ca 0.03 -0.62 -0.12 0.00 -0.13 0.00 0.00 55.73 54.89 1y44 s ARG 148 Cb -0.08 -2.04 0.02 0.00 -1.56 0.00 0.00 34.95 31.28 1y44 s ARG 148 CO 0.02 -0.08 0.23 0.08 -0.81 0.00 0.00 175.30 174.73 1y44 s VAL 149 N 1.04 4.81 -0.29 7.11 1.01 0.11 -1.53 120.40 132.66 1y44 s VAL 149 Ca -0.05 -0.71 -0.04 0.00 0.00 0.00 0.00 61.98 61.19 1y44 s VAL 149 Cb -0.15 -3.64 0.03 0.00 0.00 0.00 0.00 36.38 32.62 1y44 s VAL 149 CO -0.03 -0.21 0.02 -1.58 0.00 0.00 0.00 175.10 173.30 1y44 s GLN 150 N 1.61 2.74 -0.01 2.72 2.00 -0.32 -1.68 119.66 126.71 1y44 s GLN 150 Ca 0.03 -1.07 -0.30 0.00 -2.00 0.00 0.00 55.36 52.03 1y44 s GLN 150 Cb -0.19 -3.21 -0.03 0.00 0.80 0.00 0.00 33.01 30.39 1y44 s GLN 150 CO 0.08 -0.52 1.02 -2.00 -0.50 0.00 0.00 175.29 173.37 1y44 s GLU 151 N 1.36 4.52 0.64 1.67 2.12 -0.35 -1.04 118.70 127.61 1y44 s GLU 151 Ca -0.01 1.47 -0.15 0.00 0.36 0.00 0.00 54.97 56.64 1y44 s GLU 151 Cb -0.18 -3.46 -0.01 0.00 0.26 0.00 0.00 34.13 30.73 1y44 s GLU 151 CO -0.01 -0.13 1.08 0.15 -0.54 0.00 0.00 175.26 175.81 1y44 s LYS 152 N 1.22 3.05 0.44 4.30 1.02 -0.75 -3.96 119.74 125.06 1y44 s LYS 152 Ca 0.52 1.24 -0.22 0.00 0.02 0.00 0.00 55.97 57.54 1y44 s LYS 152 Cb -0.22 -1.99 -0.09 0.00 -0.52 0.00 0.00 37.83 35.01 1y44 s LYS 152 CO 0.26 -1.03 1.02 -0.51 -0.92 0.00 0.00 175.35 174.17 1y44 s ASP 153 N -2.85 6.63 0.04 2.83 1.01 -1.26 -3.98 116.67 119.09 1y44 s ASP 153 Ca 0.64 1.92 0.04 0.00 0.71 0.00 0.00 52.55 55.85 1y44 s ASP 153 Cb -0.17 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.17 1y44 s ASP 153 CO 0.41 -0.58 -0.11 0.68 0.21 0.00 0.00 175.17 175.78 1y44 s VAL 154 N -1.89 0.82 0.56 -1.27 -7.23 -0.29 -4.92 120.40 106.17 1y44 s VAL 154 Ca 0.62 -1.03 -0.19 0.00 -1.81 0.00 0.00 61.98 59.58 1y44 s VAL 154 Cb -0.17 -0.80 -0.05 0.00 0.56 0.00 0.00 36.38 35.92 1y44 s VAL 154 CO 0.21 -0.19 1.12 -2.84 -0.31 0.00 0.00 175.10 173.09 1y44 s PRO 155 N -1.35 3.29 1.23 4.82 0.02 -1.26 -0.25 135.00 141.49 1y44 s PRO 155 Ca -0.04 1.53 -0.16 0.00 0.02 0.00 0.00 61.00 62.36 1y44 s PRO 155 Cb -0.09 -2.00 0.28 0.00 0.02 0.00 0.00 34.50 32.71 1y44 s PRO 155 CO 0.01 -0.89 0.80 0.41 -0.33 0.00 0.00 177.00 177.00 1y44 n GLY 156 N -0.05 -2.52 3.62 0.52 0.00 -1.24 -4.69 105.19 100.83 1y44 n GLY 156 Ca 0.11 -1.22 -0.24 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.38 4.41 -0.29 1.61 1.04 -1.26 -4.71 113.70 112.13 1y44 s SER 157 Ca 0.66 -0.67 -0.29 0.00 0.48 0.00 0.00 55.95 56.13 1y44 s SER 157 Cb -0.21 -0.78 -0.06 0.00 0.10 0.00 0.00 66.02 65.07 1y44 s SER 157 CO 0.64 0.02 2.26 0.18 0.98 0.00 0.00 173.24 177.32 1y44 n LEU 158 N -0.72 2.92 -4.82 2.42 4.77 -1.26 -0.05 117.00 120.26 1y44 n LEU 158 Ca -0.07 0.09 -0.25 0.00 -0.03 0.00 0.00 56.01 55.76 1y44 n LEU 158 Cb 0.58 -1.52 -0.05 0.00 -2.33 0.00 0.00 43.42 40.11 1y44 n LEU 158 CO 0.39 -0.86 -0.19 -0.76 -1.33 0.00 0.00 177.39 174.65 1y44 s LEU 197 N 8.95 3.85 0.38 2.23 1.43 -1.26 -5.21 118.68 129.06 1y44 s LEU 197 Ca 1.02 -0.15 -0.09 0.00 -1.03 0.00 0.00 54.13 53.88 1y44 s LEU 197 Cb -0.38 -2.43 -0.06 0.00 0.03 0.00 0.00 46.19 43.35 1y44 s LEU 197 CO 0.35 0.03 0.73 -1.61 0.23 0.00 0.00 176.35 176.07 1y44 s GLU 198 N -3.40 3.74 0.51 1.70 0.41 0.93 -5.05 118.70 117.55 1y44 s GLU 198 Ca 0.32 0.36 -0.22 0.00 -0.41 0.00 0.00 54.97 55.02 1y44 s GLU 198 Cb -0.09 -2.44 -0.06 0.00 -1.78 0.00 0.00 34.13 29.76 1y44 s GLU 198 CO 0.24 0.01 1.24 -2.14 -0.49 0.00 0.00 175.26 174.12 1y44 s PRO 199 N -3.83 3.41 0.96 0.39 0.02 -1.26 -3.63 135.00 131.05 1y44 s PRO 199 Ca 0.49 1.94 -0.11 0.00 0.02 0.00 0.00 61.00 63.34 1y44 s PRO 199 Cb -0.10 -2.27 0.12 0.00 0.02 0.00 0.00 34.50 32.27 1y44 s PRO 199 CO 0.32 -0.88 0.86 -2.30 -0.33 0.00 0.00 177.00 174.66 1y44 n PRO 200 N -0.87 -0.63 -4.46 5.54 -0.02 -1.26 -4.07 135.00 129.23 1y44 n PRO 200 Ca 0.09 -0.13 -0.33 0.00 -2.02 0.00 0.00 63.50 61.11 1y44 n PRO 200 Cb 0.47 -2.17 -0.15 0.00 -0.02 0.00 0.00 33.50 31.63 1y44 n PRO 200 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1y44 s LYS 201 N -4.25 3.21 -0.20 -0.52 1.02 0.65 -4.84 119.74 114.80 1y44 s LYS 201 Ca 0.63 -0.75 -0.23 0.00 0.02 0.00 0.00 55.97 55.65 1y44 s LYS 201 Cb -0.22 -2.64 -0.02 0.00 -0.52 0.00 0.00 37.83 34.43 1y44 s LYS 201 CO 0.62 -0.01 0.72 0.21 -0.92 0.00 0.00 175.35 175.97 1y44 s LYS 202 N 0.89 4.22 0.26 1.68 2.20 -1.26 -1.14 119.74 126.60 1y44 s LYS 202 Ca -0.04 0.78 -0.30 0.00 -0.36 0.00 0.00 55.97 56.05 1y44 s LYS 202 Cb -0.15 -3.59 -0.11 0.00 -1.51 0.00 0.00 37.83 32.46 1y44 s LYS 202 CO -0.01 -0.33 1.59 0.20 -0.36 0.00 0.00 175.35 176.44 1y44 s GLY 203 N 1.24 1.96 0.71 5.54 0.00 -1.25 -4.78 107.32 110.73 1y44 s GLY 203 Ca 0.32 1.52 -0.11 0.00 0.00 0.00 0.00 44.72 46.45 1y44 s GLY 203 CO 0.10 2.57 1.08 0.50 0.00 0.00 0.00 173.10 177.35 1y44 s ARG 204 N -0.10 2.81 -0.04 2.90 0.52 -1.26 -4.71 118.95 119.07 1y44 s ARG 204 Ca 0.65 0.67 -0.05 0.00 -0.52 0.00 0.00 55.73 56.48 1y44 s ARG 204 Cb -0.47 -2.00 0.01 0.00 0.52 0.00 0.00 34.95 33.01 1y44 s ARG 204 CO 0.44 -1.11 0.13 -1.54 0.02 0.00 0.00 175.30 173.23 1y44 s SER 205 N -4.09 -0.09 -0.03 0.23 1.04 -1.26 -1.21 113.70 108.30 1y44 s SER 205 Ca 0.58 0.15 0.02 0.00 0.48 0.00 0.00 55.95 57.18 1y44 s SER 205 Cb -0.13 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.25 1y44 s SER 205 CO 0.54 -0.12 -0.08 -0.69 0.98 0.00 0.00 173.24 173.86 1y44 s VAL 206 N -0.27 0.73 -0.08 5.02 1.01 -0.68 -2.05 120.40 124.09 1y44 s VAL 206 Ca -0.03 -0.33 0.04 0.00 0.00 0.00 0.00 61.98 61.66 1y44 s VAL 206 Cb -0.03 -0.66 -0.01 0.00 0.00 0.00 0.00 36.38 35.68 1y44 s VAL 206 CO 0.00 0.23 -0.22 -0.69 0.00 0.00 0.00 175.10 174.43 1y44 s VAL 207 N 0.25 2.31 -0.17 2.92 1.01 0.19 0.04 120.40 126.95 1y44 s VAL 207 Ca -0.04 -0.96 -0.00 0.00 0.00 0.00 0.00 61.98 60.98 1y44 s VAL 207 Cb -0.09 -1.88 0.00 0.00 0.00 0.00 0.00 36.38 34.42 1y44 s VAL 207 CO 0.00 0.56 -0.14 -0.36 0.00 0.00 0.00 175.10 175.17 1y44 s PHE 208 N -0.03 2.82 0.17 5.22 0.40 0.15 0.22 117.98 126.92 1y44 s PHE 208 Ca -0.07 -1.16 0.05 0.00 -0.60 0.00 0.00 56.93 55.15 1y44 s PHE 208 Cb -0.15 -1.94 -0.02 0.00 0.51 0.00 0.00 43.02 41.42 1y44 s PHE 208 CO 0.05 -0.57 1.38 0.66 0.70 0.00 0.00 175.22 177.44 1y44 h SER 209 N 7.62 0.12 0.00 1.36 4.64 -1.52 0.24 113.55 126.01 1y44 h SER 209 Ca -0.38 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1y44 h SER 209 Cb 1.17 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1y44 h SER 209 CO 0.59 0.95 0.00 0.61 -0.87 0.00 0.00 176.83 178.11 1y44 n GLY 210 N 0.96 -0.16 3.78 -0.77 0.00 -1.26 -4.31 105.19 103.42 1y44 n GLY 210 Ca -0.02 -1.01 -0.37 0.00 0.00 0.00 0.00 46.02 44.62 1y44 n GLY 210 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1y44 s ASP 211 N -4.00 6.65 0.00 1.61 1.11 -1.26 -4.25 116.67 116.53 1y44 s ASP 211 Ca 0.00 0.77 0.00 0.00 0.18 0.00 0.00 52.55 53.50 1y44 s ASP 211 Cb 0.00 -2.23 0.00 0.00 1.07 0.00 0.00 42.92 41.76 1y44 s ASP 211 CO 0.00 0.18 0.00 1.07 1.18 0.00 0.00 175.17 177.60 1y44 n THR 212 N 2.81 0.00 -2.33 -1.27 5.66 -1.21 -4.54 114.28 113.40 1y44 n THR 212 Ca -0.12 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.61 1y44 n THR 212 Cb 0.52 0.00 0.03 0.00 -1.55 0.00 0.00 70.33 69.34 1y44 n THR 212 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1y44 s ARG 213 N -2.00 2.88 -0.07 1.09 0.52 0.15 -2.84 118.95 118.67 1y44 s ARG 213 Ca 0.00 0.04 -0.39 0.00 -0.52 0.00 0.00 55.73 54.86 1y44 s ARG 213 Cb 0.00 -2.24 -0.17 0.00 0.52 0.00 0.00 34.95 33.06 1y44 s ARG 213 CO 0.00 -0.76 1.47 0.28 0.02 0.00 0.00 175.30 176.30 1y44 n VAL 214 N -2.65 0.10 -5.04 3.52 0.31 -1.26 -4.48 118.33 108.83 1y44 n VAL 214 Ca 0.05 -0.02 -0.28 0.00 -0.01 0.00 0.00 64.34 64.08 1y44 n VAL 214 Cb 0.58 -0.87 -0.16 0.00 -0.91 0.00 0.00 33.84 32.48 1y44 n VAL 214 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1y44 s SER 215 N 1.61 2.57 0.01 4.52 0.15 -1.26 -4.94 113.70 116.36 1y44 s SER 215 Ca 0.91 -0.42 -0.18 0.00 0.70 0.00 0.00 55.95 56.96 1y44 s SER 215 Cb -1.05 -0.64 -0.30 0.00 -1.71 0.00 0.00 66.02 62.32 1y44 s SER 215 CO 0.56 0.21 1.02 0.44 1.20 0.00 0.00 173.24 176.67 1y44 h ASP 216 N 6.07 0.69 -0.31 5.45 3.32 -1.97 -3.07 116.42 126.61 1y44 h ASP 216 Ca -0.33 -0.87 0.09 0.00 0.02 0.00 0.00 57.03 55.94 1y44 h ASP 216 Cb 1.17 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 1y44 h ASP 216 CO 0.47 1.50 0.24 0.11 -1.72 0.00 0.00 179.24 179.84 1y44 h LYS 217 N -0.01 0.00 0.20 3.56 1.57 -1.95 0.47 116.57 120.41 1y44 h LYS 217 Ca -0.17 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 1y44 h LYS 217 Cb 1.77 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.08 1y44 h LYS 217 CO 0.20 0.00 -0.09 1.25 -0.57 0.00 0.00 179.45 180.23 1y44 h LEU 218 N 0.00 -0.22 -1.71 2.94 6.46 -1.86 -1.59 115.31 119.32 1y44 h LEU 218 Ca 0.15 -0.30 0.02 0.00 -0.12 0.00 0.00 57.88 57.63 1y44 h LEU 218 Cb 0.62 0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.59 1y44 h LEU 218 CO -0.00 0.30 0.23 0.07 -0.62 0.00 0.00 178.44 178.42 1y44 h LYS 219 N -0.88 0.37 -0.31 1.25 2.10 -1.34 0.37 116.57 118.13 1y44 h LYS 219 Ca -0.03 -0.02 -0.14 0.00 -2.00 0.00 0.00 60.65 58.46 1y44 h LYS 219 Cb 0.51 -0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 31.75 1y44 h LYS 219 CO 0.04 0.25 -0.38 1.49 -2.00 0.00 0.00 179.45 178.85 1y44 h GLU 220 N 0.38 0.74 0.00 0.07 4.81 -0.93 -2.58 114.58 117.07 1y44 h GLU 220 Ca 0.14 -0.38 -0.16 0.00 -0.13 0.00 0.00 59.36 58.83 1y44 h GLU 220 Cb 0.08 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 1y44 h GLU 220 CO -0.03 0.99 -0.75 1.25 -0.73 0.00 0.00 179.01 179.74 1y44 h LEU 221 N 0.61 0.00 -1.80 1.64 7.12 -0.19 -3.17 115.31 119.52 1y44 h LEU 221 Ca 0.05 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.06 1y44 h LEU 221 Cb 0.92 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.05 1y44 h LEU 221 CO 0.08 0.75 0.00 0.00 -0.13 0.00 0.00 178.44 179.15 1y44 n ALA 222 N -2.35 2.87 -1.69 1.25 0.00 0.12 -4.95 120.51 115.77 1y44 n ALA 222 Ca -0.00 -0.76 -0.50 0.00 0.00 0.00 0.00 53.44 52.19 1y44 n ALA 222 Cb 0.77 -1.03 -0.05 0.00 0.00 0.00 0.00 19.45 19.15 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 0.36 2.02 -1.94 0.00 0.63 -1.00 -2.05 116.66 114.69 1y44 n ARG 223 Ca 0.12 0.74 -0.20 0.00 -0.92 0.00 0.00 57.85 57.59 1y44 n ARG 223 Cb 0.53 -2.56 -0.05 0.00 0.45 0.00 0.00 32.46 30.82 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 6.31 -5.56 -4.77 6.15 8.00 0.78 -4.97 116.55 122.48 1y44 n ASP 224 Ca 0.23 0.29 -0.33 0.00 0.71 0.00 0.00 54.79 55.69 1y44 n ASP 224 Cb 0.27 -4.79 0.06 0.00 -0.02 0.00 0.00 41.12 36.63 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 -0.25 0.51 -2.12 0.00 3.32 -1.81 -2.43 116.42 113.65 1y44 h ASP 226 Ca -0.46 -0.68 -0.01 0.00 0.02 0.00 0.00 57.03 55.90 1y44 h ASP 226 Cb 1.24 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.64 1y44 h ASP 226 CO 0.53 1.11 -0.01 0.52 -1.72 0.00 0.00 179.24 179.68 1y44 n VAL 227 N -4.30 0.00 -3.19 -1.35 0.31 -0.87 -1.99 118.33 106.93 1y44 n VAL 227 Ca -0.09 -0.04 0.04 0.00 -0.01 0.00 0.00 64.34 64.25 1y44 n VAL 227 Cb 0.58 0.02 -0.02 0.00 -0.91 0.00 0.00 33.84 33.51 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 -1.95 -0.60 -0.01 2.52 1.01 0.13 -0.64 120.40 120.87 1y44 s VAL 229 Ca 0.01 0.00 0.06 0.00 0.00 0.00 0.00 61.98 62.05 1y44 s VAL 229 Cb 0.00 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 1y44 s VAL 229 CO 0.00 0.00 -0.19 -2.28 0.00 0.00 0.00 175.10 172.63 1y44 s HIS 230 N 2.87 1.73 0.46 5.22 2.46 -0.18 -1.43 115.29 126.42 1y44 s HIS 230 Ca 0.06 -0.33 -0.23 0.00 0.47 0.00 0.00 55.06 55.04 1y44 s HIS 230 Cb -0.12 -1.10 -0.08 0.00 -0.13 0.00 0.00 32.58 31.15 1y44 s HIS 230 CO -0.15 -0.02 1.12 -1.83 -2.47 0.00 0.00 174.74 171.39 1y44 s GLU 231 N -0.53 3.83 -0.40 2.88 -1.05 -1.26 -1.66 118.70 120.51 1y44 s GLU 231 Ca 0.07 1.64 0.09 0.00 -0.15 0.00 0.00 54.97 56.63 1y44 s GLU 231 Cb -0.08 -2.36 0.29 0.00 -0.44 0.00 0.00 34.13 31.54 1y44 s GLU 231 CO -0.00 -0.46 0.66 0.00 0.95 0.00 0.00 175.26 176.40 1y44 n ALA 232 N -0.52 1.78 0.14 -0.84 0.00 -0.21 -4.60 120.51 116.26 1y44 n ALA 232 Ca 0.07 -3.12 0.05 0.00 0.00 0.00 0.00 53.44 50.43 1y44 n ALA 232 Cb 0.49 -0.92 0.48 0.00 0.00 0.00 0.00 19.45 19.51 1y44 n ALA 232 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1y44 h THR 233 N 1.79 1.10 -3.08 0.00 2.02 -1.52 -3.41 112.91 109.81 1y44 h THR 233 Ca 0.05 -0.39 -0.49 0.00 0.77 0.00 0.00 66.41 66.35 1y44 h THR 233 Cb 0.94 0.98 -0.16 0.00 -1.74 0.00 0.00 68.15 68.16 1y44 h THR 233 CO 0.44 0.13 -0.76 -0.36 0.37 0.00 0.00 175.52 175.35 1y44 s PHE 234 N -5.02 1.76 0.88 3.16 0.08 -1.03 -3.82 117.98 114.01 1y44 s PHE 234 Ca -0.06 -0.51 -0.12 0.00 0.12 0.00 0.00 56.93 56.36 1y44 s PHE 234 Cb 0.16 -0.85 0.12 0.00 -0.57 0.00 0.00 43.02 41.89 1y44 s PHE 234 CO 0.71 0.35 1.11 0.00 -0.10 0.00 0.00 175.22 177.29 1y44 s ALA 235 N -2.48 1.76 0.19 5.36 0.00 -1.26 -1.80 121.76 123.53 1y44 s ALA 235 Ca 0.19 -0.31 -0.18 0.00 0.00 0.00 0.00 51.96 51.66 1y44 s ALA 235 Cb -0.03 -3.10 0.16 0.00 0.00 0.00 0.00 23.12 20.14 1y44 s ALA 235 CO 0.07 -2.20 1.62 -0.22 0.00 0.00 0.00 175.76 175.02 1y44 h LYS 236 N -1.43 -0.10 0.00 0.00 3.64 -1.95 -1.45 116.57 115.28 1y44 h LYS 236 Ca -0.50 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1y44 h LYS 236 Cb 1.30 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 1y44 h LYS 236 CO 0.59 -0.06 0.00 0.39 -2.27 0.00 0.00 179.45 178.10 1y44 n GLU 237 N -5.42 0.70 -1.86 1.90 -0.58 -1.26 -3.80 120.64 110.33 1y44 n GLU 237 Ca 0.05 0.00 -0.32 0.00 -0.42 0.00 0.00 57.16 56.46 1y44 n GLU 237 Cb 0.33 -1.19 0.04 0.00 -0.57 0.00 0.00 31.44 30.05 1y44 n GLU 237 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1y44 n ASP 238 N -0.69 6.50 -0.04 1.62 8.00 -0.55 -4.73 116.55 126.66 1y44 n ASP 238 Ca 0.06 -3.78 0.08 0.00 0.71 0.00 0.00 54.79 51.86 1y44 n ASP 238 Cb 0.03 -0.77 0.46 0.00 -0.02 0.00 0.00 41.12 40.82 1y44 n ASP 238 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1y44 h ARG 239 N 2.42 0.48 -0.08 -1.24 3.08 -1.77 -1.56 114.38 115.70 1y44 h ARG 239 Ca 0.49 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.47 1y44 h ARG 239 Cb 0.77 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.72 1y44 h ARG 239 CO 1.23 0.31 -0.11 -0.22 -1.07 0.00 0.00 179.97 180.12 1y44 h LYS 240 N 0.49 0.21 -0.70 0.04 3.11 -1.94 -1.37 116.57 116.41 1y44 h LYS 240 Ca 0.22 -0.12 -0.04 0.00 -2.81 0.00 0.00 60.65 57.90 1y44 h LYS 240 Cb 0.24 0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 31.45 1y44 h LYS 240 CO -0.06 0.68 0.30 -0.07 -2.81 0.00 0.00 179.45 177.49 1y44 h LEU 241 N -0.23 0.95 -0.30 5.20 3.38 -1.89 -1.11 115.31 121.31 1y44 h LEU 241 Ca 0.01 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 57.86 1y44 h LEU 241 Cb 0.65 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 1y44 h LEU 241 CO 0.03 0.85 0.07 0.00 0.09 0.00 0.00 178.44 179.47 1y44 h ALA 242 N 1.14 0.32 0.09 1.53 0.00 -1.27 -0.86 119.26 120.21 1y44 h ALA 242 Ca 0.23 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1y44 h ALA 242 Cb 0.18 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1y44 h ALA 242 CO -0.02 -0.34 -0.09 -0.92 0.00 0.00 0.00 179.25 177.87 1y44 h TYR 243 N 0.18 -0.24 -0.64 0.00 3.20 -0.86 0.13 116.97 118.75 1y44 h TYR 243 Ca 0.14 0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.06 1y44 h TYR 243 Cb 0.14 0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.45 1y44 h TYR 243 CO -0.16 -0.15 0.37 -0.44 -1.64 0.00 0.00 178.16 176.14 1y44 h ASP 244 N -0.21 0.56 -0.42 -2.11 5.19 -0.84 -2.53 116.42 116.07 1y44 h ASP 244 Ca 0.01 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 1y44 h ASP 244 Cb 0.20 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.62 1y44 h ASP 244 CO -0.03 0.38 0.00 -1.22 -3.12 0.00 0.00 179.24 175.25 1y44 n TYR 245 N -4.77 0.97 -3.72 4.55 4.02 -0.36 -4.94 117.16 112.91 1y44 n TYR 245 Ca 0.07 -0.39 -0.24 0.00 -0.01 0.00 0.00 57.90 57.33 1y44 n TYR 245 Cb 0.14 -0.18 0.05 0.00 -0.02 0.00 0.00 39.34 39.33 1y44 n TYR 245 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1y44 n TYR 246 N 0.65 -2.27 -4.19 -0.72 4.02 -0.68 -5.00 117.16 108.96 1y44 n TYR 246 Ca 0.17 0.91 -0.09 0.00 -0.01 0.00 0.00 57.90 58.88 1y44 n TYR 246 Cb 0.62 -4.48 -0.02 0.00 -0.02 0.00 0.00 39.34 35.44 1y44 n TYR 246 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 1y44 n HIS 247 N -4.54 0.23 -4.42 -0.72 8.25 0.37 -3.36 115.22 111.04 1y44 n HIS 247 Ca -0.12 -0.73 -0.21 0.00 -0.26 0.00 0.00 57.72 56.39 1y44 n HIS 247 Cb 0.60 -0.06 -0.10 0.00 1.12 0.00 0.00 29.99 31.55 1y44 n HIS 247 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1y44 s SER 248 N -1.78 2.81 0.35 0.41 0.01 -1.13 -4.03 113.70 110.34 1y44 s SER 248 Ca 0.02 -1.16 0.07 0.00 1.31 0.00 0.00 55.95 56.19 1y44 s SER 248 Cb 0.00 -0.18 -0.02 0.00 0.21 0.00 0.00 66.02 66.04 1y44 s SER 248 CO 0.01 -0.30 0.40 0.42 0.41 0.00 0.00 173.24 174.18 1y44 s THR 249 N -2.97 3.57 0.19 1.44 -4.23 -1.26 -2.46 115.64 109.92 1y44 s THR 249 Ca 0.29 -1.19 -0.12 0.00 -1.18 0.00 0.00 61.69 59.48 1y44 s THR 249 Cb 0.03 -3.23 0.09 0.00 1.34 0.00 0.00 72.50 70.73 1y44 s THR 249 CO 0.11 -0.13 1.77 0.71 -0.54 0.00 0.00 174.62 176.55 1y44 h THR 250 N 1.03 0.91 -0.73 3.99 1.35 -1.58 -1.26 112.91 116.62 1y44 h THR 250 Ca -0.44 -0.16 -0.05 0.00 -0.55 0.00 0.00 66.41 65.21 1y44 h THR 250 Cb 1.26 0.40 -0.03 0.00 -1.73 0.00 0.00 68.15 68.05 1y44 h THR 250 CO 0.55 0.09 0.27 -0.08 -0.25 0.00 0.00 175.52 176.09 1y44 h GLU 251 N 0.47 1.09 -0.60 4.72 4.81 -1.87 -1.41 114.58 121.78 1y44 h GLU 251 Ca 0.24 -0.20 -0.09 0.00 -0.13 0.00 0.00 59.36 59.18 1y44 h GLU 251 Cb 0.19 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 1y44 h GLU 251 CO -0.19 0.90 0.02 1.96 -0.73 0.00 0.00 179.01 180.97 1y44 h GLN 252 N 1.06 1.04 -0.12 1.92 4.20 -1.78 -0.45 115.11 120.97 1y44 h GLN 252 Ca 0.24 -0.31 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 1y44 h GLN 252 Cb 0.23 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.90 1y44 h GLN 252 CO -0.02 1.00 -0.01 0.00 -0.67 0.00 0.00 178.83 179.13 1y44 h ALA 253 N 1.06 0.17 -0.89 3.87 0.00 -1.01 -1.88 119.26 120.58 1y44 h ALA 253 Ca 0.18 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1y44 h ALA 253 Cb 0.52 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 1y44 h ALA 253 CO 0.03 -0.12 0.56 0.00 0.00 0.00 0.00 179.25 179.71 1y44 h ALA 254 N 0.73 1.23 -0.34 0.00 0.00 -1.11 -1.00 119.26 118.77 1y44 h ALA 254 Ca 0.03 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1y44 h ALA 254 Cb 0.39 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1y44 h ALA 254 CO 0.01 0.31 -0.18 0.28 0.00 0.00 0.00 179.25 179.67 1y44 h VAL 255 N 1.01 1.26 -0.15 0.00 2.07 -0.97 -0.91 116.25 118.57 1y44 h VAL 255 Ca 0.39 -1.21 -0.02 0.00 0.82 0.00 0.00 66.70 66.68 1y44 h VAL 255 Cb 0.18 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1y44 h VAL 255 CO -0.18 0.40 0.03 0.74 0.02 0.00 0.00 177.57 178.58 1y44 h THR 256 N 0.57 1.21 -0.24 2.57 2.02 -0.42 -1.13 112.91 117.49 1y44 h THR 256 Ca 0.09 -0.68 0.02 0.00 0.77 0.00 0.00 66.41 66.61 1y44 h THR 256 Cb 0.63 1.38 -0.02 0.00 -1.74 0.00 0.00 68.15 68.39 1y44 h THR 256 CO 0.04 0.20 0.10 0.00 0.37 0.00 0.00 175.52 176.24 1y44 h ALA 257 N 0.82 0.28 -0.19 6.16 0.00 -1.06 -0.82 119.26 124.45 1y44 h ALA 257 Ca 0.05 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1y44 h ALA 257 Cb 0.29 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1y44 h ALA 257 CO 0.00 -0.31 -0.03 -0.22 0.00 0.00 0.00 179.25 178.70 1y44 h LYS 258 N 0.22 0.02 0.00 0.00 3.64 -1.04 -1.73 116.57 117.69 1y44 h LYS 258 Ca 0.10 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1y44 h LYS 258 Cb 0.05 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1y44 h LYS 258 CO -0.09 0.02 -0.04 0.93 -2.27 0.00 0.00 179.45 178.00 1y44 h GLU 259 N 0.02 0.00 -0.01 1.90 5.08 -1.03 -2.85 114.58 117.70 1y44 h GLU 259 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1y44 h GLU 259 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1y44 h GLU 259 CO -0.18 0.04 -0.39 0.00 -1.00 0.00 0.00 179.01 177.48 1y44 n ALA 260 N -2.11 3.35 -3.01 3.43 0.00 -0.33 -4.95 120.51 116.89 1y44 n ALA 260 Ca 0.01 -0.41 -0.17 0.00 0.00 0.00 0.00 53.44 52.87 1y44 n ALA 260 Cb 0.37 -1.09 0.04 0.00 0.00 0.00 0.00 19.45 18.77 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 -0.93 -4.56 -1.98 0.00 3.00 -0.71 -0.15 116.66 111.32 1y44 n ARG 261 Ca 0.09 0.66 -0.33 0.00 -0.01 0.00 0.00 57.85 58.27 1y44 n ARG 261 Cb 0.35 -5.07 0.02 0.00 0.00 0.00 0.00 32.46 27.76 1y44 n ARG 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1y44 s ALA 262 N -3.10 2.69 -0.02 7.54 0.00 -0.83 -4.00 121.76 124.04 1y44 s ALA 262 Ca 0.31 0.41 0.09 0.00 0.00 0.00 0.00 51.96 52.77 1y44 s ALA 262 Cb -0.14 -3.24 -0.23 0.00 0.00 0.00 0.00 23.12 19.51 1y44 s ALA 262 CO 0.38 -0.90 0.74 0.87 0.00 0.00 0.00 175.76 176.85 1y44 h LYS 263 N 0.33 0.04 -3.78 0.00 1.57 -1.41 -3.46 116.57 109.86 1y44 h LYS 263 Ca -0.47 -0.07 -0.17 0.00 -1.87 0.00 0.00 60.65 58.08 1y44 h LYS 263 Cb 1.22 0.03 -0.22 0.00 0.08 0.00 0.00 32.23 33.34 1y44 h LYS 263 CO 0.57 0.67 -0.62 -1.14 -0.57 0.00 0.00 179.45 178.36 1y44 s GLN 264 N -2.61 0.35 -0.05 3.15 0.74 -0.84 -4.83 119.66 115.56 1y44 s GLN 264 Ca -0.06 -0.47 0.04 0.00 0.05 0.00 0.00 55.36 54.92 1y44 s GLN 264 Cb 0.08 0.13 0.00 0.00 1.10 0.00 0.00 33.01 34.33 1y44 s GLN 264 CO 0.82 -0.07 -0.16 -1.17 -0.55 0.00 0.00 175.29 174.16 1y44 s LEU 265 N -1.28 1.86 -0.12 3.68 2.96 -0.16 -4.40 118.68 121.21 1y44 s LEU 265 Ca -0.14 -0.35 0.02 0.00 -0.22 0.00 0.00 54.13 53.44 1y44 s LEU 265 Cb -0.08 -0.96 0.01 0.00 0.50 0.00 0.00 46.19 45.66 1y44 s LEU 265 CO -0.00 0.12 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.35 1y44 s ILE 266 N 0.24 1.68 -0.06 6.68 1.01 -1.26 -1.00 121.20 128.49 1y44 s ILE 266 Ca -0.08 -0.75 -0.15 0.00 0.00 0.00 0.00 60.65 59.67 1y44 s ILE 266 Cb -0.13 -1.52 -0.05 0.00 0.01 0.00 0.00 42.46 40.77 1y44 s ILE 266 CO 0.03 0.48 0.40 -0.76 0.00 0.00 0.00 174.94 175.09 1y44 s LEU 267 N 0.96 4.38 0.35 2.97 1.43 0.14 -1.01 118.68 127.91 1y44 s LEU 267 Ca -0.06 0.83 -0.01 0.00 -1.03 0.00 0.00 54.13 53.87 1y44 s LEU 267 Cb -0.15 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.51 1y44 s LEU 267 CO -0.02 0.20 0.46 0.28 0.23 0.00 0.00 176.35 177.51 1y44 s THR 268 N -0.36 0.00 -0.87 5.49 -1.32 -0.66 0.46 115.64 118.38 1y44 s THR 268 Ca 0.23 -1.64 -0.00 0.00 -1.21 0.00 0.00 61.69 59.06 1y44 s THR 268 Cb -0.16 -2.66 -0.00 0.00 -1.51 0.00 0.00 72.50 68.17 1y44 s THR 268 CO 0.11 0.00 0.73 1.57 -2.21 0.00 0.00 174.62 174.81 1y44 n HIS 269 N -0.60 -1.60 -2.83 9.09 -0.00 0.15 -1.04 115.22 118.40 1y44 n HIS 269 Ca 0.02 0.68 -0.41 0.00 -0.00 0.00 0.00 57.72 58.01 1y44 n HIS 269 Cb 0.61 -4.23 -0.04 0.00 -0.00 0.00 0.00 29.99 26.33 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 -3.26 4.93 0.48 3.57 -1.09 0.22 -3.47 121.20 122.57 1y44 s ILE 270 Ca 0.01 1.84 -0.22 0.00 -2.23 0.00 0.00 60.65 60.04 1y44 s ILE 270 Cb -0.00 -4.22 -0.07 0.00 -1.58 0.00 0.00 42.46 36.59 1y44 s ILE 270 CO 0.53 0.18 1.18 -0.94 -1.23 0.00 0.00 174.94 174.67 1y44 s SER 271 N 0.94 6.03 0.00 3.58 1.04 -1.25 -2.02 113.70 122.02 1y44 s SER 271 Ca 0.47 2.34 0.00 0.00 0.48 0.00 0.00 55.95 59.23 1y44 s SER 271 Cb -0.20 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.32 1y44 s SER 271 CO 0.24 -1.01 0.60 0.00 0.98 0.00 0.00 173.24 174.05 1y44 n ALA 272 N -0.62 1.17 1.57 5.32 0.00 -1.26 -1.91 120.51 124.78 1y44 n ALA 272 Ca 0.08 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.66 1y44 n ALA 272 Cb 0.48 -0.88 0.79 0.00 0.00 0.00 0.00 19.45 19.85 1y44 n ALA 272 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1y44 n ARG 273 N -1.10 0.63 -3.32 0.00 1.74 -1.26 -4.35 116.66 109.00 1y44 n ARG 273 Ca 0.00 0.01 -0.24 0.00 -0.77 0.00 0.00 57.85 56.84 1y44 n ARG 273 Cb 0.02 -1.50 -0.09 0.00 -1.02 0.00 0.00 32.46 29.87 1y44 n ARG 273 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1y44 n TYR 274 N -1.17 -1.25 -4.35 -1.55 4.02 -0.80 -5.01 117.16 107.05 1y44 n TYR 274 Ca 0.17 -3.10 -0.22 0.00 -0.01 0.00 0.00 57.90 54.74 1y44 n TYR 274 Cb 0.18 0.39 -0.11 0.00 -0.02 0.00 0.00 39.34 39.77 1y44 n TYR 274 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 176.86 176.99 1y44 s GLN 275 N 0.12 1.33 3.13 -0.72 -2.07 -1.26 -3.65 119.66 116.54 1y44 s GLN 275 Ca 0.33 -1.45 0.00 0.00 -1.82 0.00 0.00 55.36 52.42 1y44 s GLN 275 Cb 0.04 -1.42 0.00 0.00 -1.09 0.00 0.00 33.01 30.54 1y44 s GLN 275 CO -0.18 0.29 0.00 0.41 -1.32 0.00 0.00 175.29 174.49 1y44 n GLY 276 N 0.22 1.41 0.01 2.60 0.00 -1.26 -3.48 105.19 104.69 1y44 n GLY 276 Ca -0.12 -0.52 0.10 0.00 0.00 0.00 0.00 46.02 45.47 1y44 n GLY 276 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1y44 n ASP 277 N 5.26 0.52 0.21 1.61 9.92 -1.26 -4.13 116.55 128.69 1y44 n ASP 277 Ca 0.00 -0.18 0.05 0.00 -0.53 0.00 0.00 54.79 54.13 1y44 n ASP 277 Cb 0.00 1.74 0.47 0.00 -0.64 0.00 0.00 41.12 42.70 1y44 n ASP 277 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1y44 h ALA 278 N 2.00 1.52 -0.05 2.24 0.00 -1.87 -1.01 119.26 122.09 1y44 h ALA 278 Ca 0.00 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 1y44 h ALA 278 Cb 0.83 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1y44 h ALA 278 CO 0.00 0.31 -0.34 0.66 0.00 0.00 0.00 179.25 179.88 1y44 h SER 279 N 0.00 0.10 -0.04 0.00 4.64 -1.71 -1.90 113.55 114.63 1y44 h SER 279 Ca -0.00 -0.03 -0.06 0.00 -0.47 0.00 0.00 61.79 61.22 1y44 h SER 279 Cb 0.46 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 1y44 h SER 279 CO 0.03 0.44 -0.13 -0.07 -0.87 0.00 0.00 176.83 176.23 1y44 h LEU 280 N 0.09 0.33 -0.45 5.97 3.38 -1.39 -1.32 115.31 121.91 1y44 h LEU 280 Ca 0.01 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1y44 h LEU 280 Cb 0.65 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1y44 h LEU 280 CO 0.05 0.49 0.19 -0.08 0.09 0.00 0.00 178.44 179.18 1y44 h GLU 281 N 0.33 0.68 -0.65 1.13 4.22 -1.23 -0.06 114.58 118.99 1y44 h GLU 281 Ca 0.06 -0.12 0.01 0.00 0.08 0.00 0.00 59.36 59.39 1y44 h GLU 281 Cb 0.43 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 1y44 h GLU 281 CO 0.02 0.61 0.43 -0.07 -2.18 0.00 0.00 179.01 177.82 1y44 h LEU 282 N 0.59 0.75 -0.06 1.64 3.38 -1.25 -2.12 115.31 118.24 1y44 h LEU 282 Ca 0.15 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.12 1y44 h LEU 282 Cb 0.18 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1y44 h LEU 282 CO -0.01 0.54 -0.07 -0.61 0.09 0.00 0.00 178.44 178.38 1y44 h GLN 283 N 0.88 -0.09 -0.77 1.13 4.15 -0.77 -2.16 115.11 117.48 1y44 h GLN 283 Ca 0.24 0.01 0.10 0.00 0.77 0.00 0.00 58.65 59.76 1y44 h GLN 283 Cb -0.10 0.02 -0.05 0.00 0.21 0.00 0.00 27.48 27.56 1y44 h GLN 283 CO -0.05 -0.06 0.51 0.87 -1.93 0.00 0.00 178.83 178.16 1y44 h LYS 284 N -0.10 0.66 -0.99 1.69 6.56 -0.66 0.31 116.57 124.06 1y44 h LYS 284 Ca 0.05 -0.04 0.01 0.00 -1.06 0.00 0.00 60.65 59.61 1y44 h LYS 284 Cb 0.16 -0.15 -0.05 0.00 -0.57 0.00 0.00 32.23 31.62 1y44 h LYS 284 CO -0.11 0.44 0.65 0.93 -2.06 0.00 0.00 179.45 179.30 1y44 h GLU 285 N 0.68 1.29 -0.03 3.15 5.08 -0.74 -0.98 114.58 123.03 1y44 h GLU 285 Ca 0.36 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.61 1y44 h GLU 285 Cb 0.48 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1y44 h GLU 285 CO -0.13 0.85 -0.11 0.00 -1.00 0.00 0.00 179.01 178.62 1y44 h ALA 286 N 1.37 0.05 -1.05 3.43 0.00 -0.70 -3.19 119.26 119.17 1y44 h ALA 286 Ca 0.37 -0.36 0.28 0.00 0.00 0.00 0.00 54.91 55.19 1y44 h ALA 286 Cb -0.13 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.55 1y44 h ALA 286 CO -0.08 -0.04 0.67 0.28 0.00 0.00 0.00 179.25 180.07 1y44 h VAL 287 N -0.45 0.50 -0.01 0.00 2.07 -0.07 0.22 116.25 118.51 1y44 h VAL 287 Ca -0.01 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 1y44 h VAL 287 Cb 0.75 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1y44 h VAL 287 CO 0.02 0.07 -0.14 0.44 0.02 0.00 0.00 177.57 177.99 1y44 h ASP 288 N 0.39 0.02 0.02 0.57 5.19 -1.17 -2.79 116.42 118.64 1y44 h ASP 288 Ca 0.61 -0.00 -0.40 0.00 -0.62 0.00 0.00 57.03 56.63 1y44 h ASP 288 Cb 1.55 -0.01 -0.06 0.00 0.18 0.00 0.00 39.33 41.00 1y44 h ASP 288 CO -0.32 0.16 -2.35 0.52 -3.12 0.00 0.00 179.24 174.13 1y44 n VAL 289 N -4.36 1.55 -3.87 -1.35 0.31 0.17 -4.84 118.33 105.94 1y44 n VAL 289 Ca -0.02 -0.50 -0.30 0.00 -0.01 0.00 0.00 64.34 63.51 1y44 n VAL 289 Cb 0.22 -1.63 -0.15 0.00 -0.91 0.00 0.00 33.84 31.36 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 -2.51 2.50 0.27 3.52 5.36 0.54 -4.93 117.98 122.73 1y44 s PHE 290 Ca -0.34 -2.12 -0.01 0.00 -0.96 0.00 0.00 56.93 53.50 1y44 s PHE 290 Cb 0.10 -2.05 0.58 0.00 -0.34 0.00 0.00 43.02 41.31 1y44 s PHE 290 CO 0.59 -0.87 1.67 -1.35 -1.46 0.00 0.00 175.22 173.81 1y44 h PRO 291 N 7.91 0.25 -3.69 10.12 0.11 -1.72 -3.15 132.00 141.84 1y44 h PRO 291 Ca -0.12 -0.02 -0.75 0.00 0.11 0.00 0.00 66.00 65.23 1y44 h PRO 291 Cb 1.03 -0.06 -0.13 0.00 0.11 0.00 0.00 31.00 31.95 1y44 h PRO 291 CO 0.47 0.17 2.19 -1.71 -0.21 0.00 0.00 178.00 178.91 1y44 n ASN 292 N -5.17 4.88 -4.16 -2.05 5.15 -1.26 -4.76 115.26 107.88 1y44 n ASN 292 Ca 0.18 -3.05 -0.23 0.00 -0.60 0.00 0.00 54.58 50.87 1y44 n ASN 292 Cb 0.56 -1.52 -0.15 0.00 -0.53 0.00 0.00 39.78 38.15 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 1.42 1.91 -0.02 1.20 0.01 -1.19 -0.99 113.70 116.04 1y44 s SER 293 Ca 0.41 -0.36 -0.01 0.00 1.31 0.00 0.00 55.95 57.30 1y44 s SER 293 Cb 0.10 -0.18 0.01 0.00 0.21 0.00 0.00 66.02 66.15 1y44 s SER 293 CO -0.01 0.15 0.04 -0.69 0.41 0.00 0.00 173.24 173.15 1y44 s VAL 294 N -0.54 -0.01 -0.34 3.43 1.01 -0.17 -4.79 120.40 118.98 1y44 s VAL 294 Ca 0.05 0.05 -0.24 0.00 0.00 0.00 0.00 61.98 61.85 1y44 s VAL 294 Cb -0.07 -0.08 0.01 0.00 0.00 0.00 0.00 36.38 36.24 1y44 s VAL 294 CO 0.00 0.02 0.82 0.00 0.00 0.00 0.00 175.10 175.94 1y44 s ALA 295 N 0.29 3.46 0.85 5.51 0.00 -1.26 0.27 121.76 130.89 1y44 s ALA 295 Ca -0.02 -0.52 -0.11 0.00 0.00 0.00 0.00 51.96 51.31 1y44 s ALA 295 Cb -0.03 -3.38 0.11 0.00 0.00 0.00 0.00 23.12 19.81 1y44 s ALA 295 CO -0.01 -1.41 1.11 0.00 0.00 0.00 0.00 175.76 175.45 1y44 s ALA 296 N 3.13 1.78 0.04 0.00 0.00 0.17 -4.89 121.76 121.99 1y44 s ALA 296 Ca 0.33 0.30 -0.17 0.00 0.00 0.00 0.00 51.96 52.43 1y44 s ALA 296 Cb -0.13 -3.32 0.03 0.00 0.00 0.00 0.00 23.12 19.70 1y44 s ALA 296 CO 0.16 -2.27 0.38 1.52 0.00 0.00 0.00 175.76 175.55 1y44 s TYR 297 N -2.81 -0.22 -0.00 0.00 -0.85 -1.26 -4.89 117.35 107.32 1y44 s TYR 297 Ca 0.64 0.17 -0.37 0.00 -0.52 0.00 0.00 57.07 56.99 1y44 s TYR 297 Cb -0.19 0.18 -0.16 0.00 0.38 0.00 0.00 41.96 42.16 1y44 s TYR 297 CO 0.57 -0.54 1.50 -0.25 -1.52 0.00 0.00 175.55 175.32 1y44 n ASP 298 N 0.60 2.12 -0.04 -0.18 9.92 -1.26 -1.20 116.55 126.51 1y44 n ASP 298 Ca -0.19 1.09 -0.00 0.00 -0.53 0.00 0.00 54.79 55.16 1y44 n ASP 298 Cb 0.59 -1.22 -0.00 0.00 -0.64 0.00 0.00 41.12 39.85 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 3.59 0.00 -2.42 1.24 3.72 0.24 -5.02 117.46 118.82 1y44 n PHE 299 Ca 0.20 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.19 1y44 n PHE 299 Cb 0.19 -0.38 -0.03 0.00 -0.94 0.00 0.00 39.48 38.32 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 -0.11 4.44 -0.15 4.37 2.96 -0.34 -4.81 118.68 125.04 1y44 s LEU 300 Ca 0.00 2.14 0.02 0.00 -0.22 0.00 0.00 54.13 56.07 1y44 s LEU 300 Cb 0.00 -3.60 0.01 0.00 0.50 0.00 0.00 46.19 43.10 1y44 s LEU 300 CO 0.00 -0.36 -0.21 -0.70 -1.32 0.00 0.00 176.35 173.76 1y44 s GLU 301 N 0.08 3.04 -0.18 1.98 2.12 -1.26 -1.32 118.70 123.16 1y44 s GLU 301 Ca 0.54 -0.84 -0.00 0.00 0.36 0.00 0.00 54.97 55.03 1y44 s GLU 301 Cb -0.31 -2.48 0.01 0.00 0.26 0.00 0.00 34.13 31.62 1y44 s GLU 301 CO 0.34 -0.03 -0.16 0.08 -0.54 0.00 0.00 175.26 174.94 1y44 s VAL 302 N 0.87 2.40 0.28 3.70 1.01 0.69 -4.94 120.40 124.41 1y44 s VAL 302 Ca -0.05 -0.83 -0.29 0.00 0.00 0.00 0.00 61.98 60.81 1y44 s VAL 302 Cb -0.15 -2.03 -0.09 0.00 0.00 0.00 0.00 36.38 34.11 1y44 s VAL 302 CO -0.03 0.51 1.03 0.21 0.00 0.00 0.00 175.10 176.83 1y44 s ASN 303 N 1.26 7.35 -0.60 3.32 3.84 -1.26 -0.26 114.94 128.60 1y44 s ASN 303 Ca 0.04 2.12 -0.06 0.00 0.21 0.00 0.00 52.86 55.16 1y44 s ASN 303 Cb -0.14 -2.61 0.15 0.00 -0.55 0.00 0.00 41.25 38.10 1y44 s ASN 303 CO -0.09 -0.07 0.44 -0.69 -2.79 0.00 0.00 177.10 173.90 1y44 s VAL 304 N -1.24 4.08 0.51 -5.21 1.01 -1.26 -4.93 120.40 113.37 1y44 s VAL 304 Ca 0.45 -2.50 -0.19 0.00 0.00 0.00 0.00 61.98 59.74 1y44 s VAL 304 Cb -0.28 -3.65 -0.07 0.00 0.00 0.00 0.00 36.38 32.37 1y44 s VAL 304 CO 0.36 -0.86 1.03 -2.84 0.00 0.00 0.00 175.10 172.79 1y44 s PRO 305 N 0.44 3.74 -0.48 2.72 0.02 -1.26 -4.84 135.00 135.34 1y44 s PRO 305 Ca 0.13 1.23 -0.29 0.00 0.02 0.00 0.00 61.00 62.10 1y44 s PRO 305 Cb -0.20 -2.09 0.02 0.00 0.02 0.00 0.00 34.50 32.24 1y44 s PRO 305 CO -0.04 -0.47 1.31 1.03 -0.33 0.00 0.00 177.00 178.50 1y44 s ARG 306 N -3.58 3.56 0.00 5.54 1.81 -1.26 -4.95 118.95 120.06 1y44 s ARG 306 Ca 0.64 0.66 0.00 0.00 -1.72 0.00 0.00 55.73 55.31 1y44 s ARG 306 Cb -0.14 -4.01 0.00 0.00 -0.45 0.00 0.00 34.95 30.35 1y44 s ARG 306 CO 0.25 -1.60 0.39 0.41 -0.68 0.00 0.00 175.30 174.08