#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ae5 s VAL 2 N 0.00 5.39 -0.53 1.39 0.11 0.26 -4.31 120.40 122.71 1ae5 s VAL 2 Ca 0.00 0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.08 1ae5 s VAL 2 Cb 0.00 -3.41 0.00 0.00 -1.53 0.00 0.00 36.38 31.44 1ae5 s VAL 2 CO 0.00 0.50 0.00 0.61 -3.33 0.00 0.00 175.10 172.88 1ae5 n GLY 3 N 1.59 0.76 0.98 6.54 0.00 -1.26 -1.80 105.19 112.01 1ae5 n GLY 3 Ca -0.16 -0.60 -0.06 0.00 0.00 0.00 0.00 46.02 45.20 1ae5 n GLY 3 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ae5 n GLY 4 N -2.12 2.32 3.47 -0.02 0.00 -1.26 -4.89 105.19 102.69 1ae5 n GLY 4 Ca -0.05 -2.17 -0.26 0.00 0.00 0.00 0.00 46.02 43.53 1ae5 n GLY 4 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ae5 s ARG 5 N -2.63 1.68 0.19 1.61 3.52 -0.74 -4.89 118.95 117.68 1ae5 s ARG 5 Ca 0.13 -1.49 -0.30 0.00 -0.13 0.00 0.00 55.73 53.94 1ae5 s ARG 5 Cb -0.01 -1.92 -0.08 0.00 -1.56 0.00 0.00 34.95 31.38 1ae5 s ARG 5 CO 0.08 0.40 1.25 0.21 -0.81 0.00 0.00 175.30 176.43 1ae5 s LYS 6 N -2.82 4.44 0.66 5.12 2.20 -1.26 -0.77 119.74 127.31 1ae5 s LYS 6 Ca 0.23 1.95 -0.09 0.00 -0.36 0.00 0.00 55.97 57.70 1ae5 s LYS 6 Cb -0.08 -3.22 0.01 0.00 -1.51 0.00 0.00 37.83 33.03 1ae5 s LYS 6 CO 0.12 -0.17 1.02 0.00 -0.36 0.00 0.00 175.35 175.95 1ae5 s ALA 7 N 0.08 3.06 0.31 3.13 0.00 0.65 -4.87 121.76 124.13 1ae5 s ALA 7 Ca 0.55 -0.48 -0.02 0.00 0.00 0.00 0.00 51.96 52.01 1ae5 s ALA 7 Cb -0.34 -2.86 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 1ae5 s ALA 7 CO 0.37 -0.99 0.54 1.03 0.00 0.00 0.00 175.76 176.72 1ae5 s ARG 8 N -5.21 3.55 0.47 0.00 0.52 -1.26 -4.81 118.95 112.21 1ae5 s ARG 8 Ca 0.56 -0.18 -0.23 0.00 -0.52 0.00 0.00 55.73 55.36 1ae5 s ARG 8 Cb -0.11 -2.66 -0.08 0.00 0.52 0.00 0.00 34.95 32.61 1ae5 s ARG 8 CO 0.49 0.19 1.16 -2.30 0.02 0.00 0.00 175.30 174.85 1ae5 n PRO 9 N -1.36 1.56 -1.54 3.54 -0.02 -1.26 -2.14 135.00 133.78 1ae5 n PRO 9 Ca -0.03 0.56 -0.19 0.00 -2.02 0.00 0.00 63.50 61.82 1ae5 n PRO 9 Cb 0.55 -2.28 -0.08 0.00 -0.02 0.00 0.00 33.50 31.67 1ae5 n PRO 9 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1ae5 n ARG 10 N -0.26 -1.48 0.13 -0.52 1.74 -1.26 -4.85 116.66 110.16 1ae5 n ARG 10 Ca 0.09 1.13 0.01 0.00 -0.77 0.00 0.00 57.85 58.31 1ae5 n ARG 10 Cb 0.42 -5.50 0.06 0.00 -1.02 0.00 0.00 32.46 26.41 1ae5 n ARG 10 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 1ae5 h GLN 11 N 0.00 0.00 -2.11 5.56 4.15 -1.82 -3.36 115.11 117.53 1ae5 h GLN 11 Ca -0.38 0.00 -0.57 0.00 0.77 0.00 0.00 58.65 58.47 1ae5 h GLN 11 Cb 1.28 0.00 -0.40 0.00 0.21 0.00 0.00 27.48 28.57 1ae5 h GLN 11 CO 0.56 0.60 -0.96 1.19 -1.93 0.00 0.00 178.83 178.28 1ae5 n PHE 12 N -3.34 0.61 0.35 3.99 3.72 -1.26 -4.98 117.46 116.54 1ae5 n PHE 12 Ca 0.01 -3.70 0.07 0.00 -0.05 0.00 0.00 57.45 53.78 1ae5 n PHE 12 Cb 0.73 -0.35 0.32 0.00 -0.94 0.00 0.00 39.48 39.24 1ae5 n PHE 12 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1ae5 n PRO 13 N 1.42 0.06 0.00 -1.08 -0.05 -1.26 -1.99 135.00 132.10 1ae5 n PRO 13 Ca 0.24 0.38 0.13 0.00 -0.05 0.00 0.00 63.50 64.20 1ae5 n PRO 13 Cb 0.49 -1.64 0.43 0.00 -0.05 0.00 0.00 33.50 32.74 1ae5 n PRO 13 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 175.50 177.42 1ae5 n PHE 14 N -1.75 0.00 -2.07 0.54 1.16 -1.25 -2.26 117.46 111.83 1ae5 n PHE 14 Ca 0.02 0.00 -0.38 0.00 -1.87 0.00 0.00 57.45 55.22 1ae5 n PHE 14 Cb 0.14 -0.22 0.00 0.00 -1.61 0.00 0.00 39.48 37.79 1ae5 n PHE 14 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1ae5 s LEU 15 N -2.70 4.05 0.13 5.98 1.43 -0.84 -1.13 118.68 125.59 1ae5 s LEU 15 Ca 0.20 2.55 0.07 0.00 -1.03 0.00 0.00 54.13 55.92 1ae5 s LEU 15 Cb 0.19 -4.12 -0.04 0.00 0.03 0.00 0.00 46.19 42.25 1ae5 s LEU 15 CO 0.56 -1.05 -0.17 0.00 0.23 0.00 0.00 176.35 175.92 1ae5 s ALA 16 N -1.38 1.71 -0.19 4.21 0.00 0.17 -4.32 121.76 121.95 1ae5 s ALA 16 Ca 0.63 -1.32 0.01 0.00 0.00 0.00 0.00 51.96 51.28 1ae5 s ALA 16 Cb -0.35 -0.15 0.03 0.00 0.00 0.00 0.00 23.12 22.64 1ae5 s ALA 16 CO 0.43 0.21 -0.17 0.45 0.00 0.00 0.00 175.76 176.68 1ae5 s SER 17 N -2.32 3.28 -0.22 0.00 0.15 -0.37 -2.14 113.70 112.07 1ae5 s SER 17 Ca 0.09 -0.75 -0.14 0.00 0.70 0.00 0.00 55.95 55.86 1ae5 s SER 17 Cb -0.07 -1.44 -0.04 0.00 -1.71 0.00 0.00 66.02 62.76 1ae5 s SER 17 CO 0.04 -0.04 0.30 -0.63 1.20 0.00 0.00 173.24 174.11 1ae5 s ILE 18 N 1.29 5.26 0.24 6.45 -1.09 0.13 -0.06 121.20 133.42 1ae5 s ILE 18 Ca 0.03 0.47 0.09 0.00 -2.23 0.00 0.00 60.65 59.01 1ae5 s ILE 18 Cb -0.14 -3.63 -0.05 0.00 -1.58 0.00 0.00 42.46 37.06 1ae5 s ILE 18 CO -0.11 0.28 -0.15 -1.10 -1.23 0.00 0.00 174.94 172.63 1ae5 s GLN 19 N 1.29 1.46 -0.10 2.79 -0.21 -0.73 0.26 119.66 124.43 1ae5 s GLN 19 Ca 0.14 -1.67 -0.02 0.00 0.02 0.00 0.00 55.36 53.82 1ae5 s GLN 19 Cb -0.14 -1.31 0.04 0.00 1.00 0.00 0.00 33.01 32.59 1ae5 s GLN 19 CO 0.07 0.20 0.04 1.21 -2.12 0.00 0.00 175.29 174.69 1ae5 s ASN 20 N -3.39 1.79 -1.42 5.90 3.84 0.42 -1.19 114.94 120.90 1ae5 s ASN 20 Ca 0.26 -0.24 -0.09 0.00 0.21 0.00 0.00 52.86 53.00 1ae5 s ASN 20 Cb -0.01 -0.35 0.04 0.00 -0.55 0.00 0.00 41.25 40.39 1ae5 s ASN 20 CO 0.10 -0.25 0.96 0.00 -2.79 0.00 0.00 177.10 175.12 1ae5 n GLN 21 N 5.20 -6.01 -0.91 0.43 1.13 -1.26 0.21 117.38 116.16 1ae5 n GLN 21 Ca -0.06 0.67 0.00 0.00 -1.94 0.00 0.00 57.00 55.67 1ae5 n GLN 21 Cb 0.49 -5.53 0.00 0.00 0.11 0.00 0.00 30.24 25.31 1ae5 n GLN 21 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ae5 n GLY 22 N -1.69 0.51 3.48 1.08 0.00 -1.26 -4.97 105.19 102.34 1ae5 n GLY 22 Ca -0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 1ae5 n GLY 22 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ae5 s ARG 23 N -0.49 3.73 -0.06 1.61 3.52 0.13 -5.01 118.95 122.38 1ae5 s ARG 23 Ca 0.00 -0.44 -0.30 0.00 -0.13 0.00 0.00 55.73 54.86 1ae5 s ARG 23 Cb 0.00 -3.38 -0.05 0.00 -1.56 0.00 0.00 34.95 29.96 1ae5 s ARG 23 CO 0.00 -0.16 1.59 -1.58 -0.81 0.00 0.00 175.30 174.34 1ae5 s HIS 24 N 1.56 2.15 0.00 5.12 5.65 -1.26 0.16 115.29 128.68 1ae5 s HIS 24 Ca 0.06 0.34 0.00 0.00 0.25 0.00 0.00 55.06 55.71 1ae5 s HIS 24 Cb -0.15 -3.85 0.00 0.00 -1.18 0.00 0.00 32.58 27.40 1ae5 s HIS 24 CO 0.05 -3.48 0.00 1.97 -0.65 0.00 0.00 174.74 172.62 1ae5 n PHE 25 N 6.93 0.00 -3.70 3.88 1.16 0.14 -4.94 117.46 120.93 1ae5 n PHE 25 Ca 0.17 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.65 1ae5 n PHE 25 Cb 0.43 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.27 1ae5 n PHE 25 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1ae5 n GLY 27 N -0.36 2.60 2.72 0.00 0.00 0.18 0.19 105.19 110.52 1ae5 n GLY 27 Ca -0.11 -2.28 0.02 0.00 0.00 0.00 0.00 46.02 43.66 1ae5 n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ae5 n GLY 28 N -1.23 0.31 2.99 -0.02 0.00 -0.91 -3.94 105.19 102.39 1ae5 n GLY 28 Ca 0.02 -0.97 -0.15 0.00 0.00 0.00 0.00 46.02 44.92 1ae5 n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ae5 s ALA 29 N -1.68 0.45 -0.29 4.61 0.00 -0.63 -0.66 121.76 123.57 1ae5 s ALA 29 Ca 0.21 -0.40 -0.27 0.00 0.00 0.00 0.00 51.96 51.50 1ae5 s ALA 29 Cb -0.00 -0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.08 1ae5 s ALA 29 CO -0.01 0.05 0.95 -1.17 0.00 0.00 0.00 175.76 175.58 1ae5 s LEU 30 N -0.64 4.04 0.00 0.00 2.96 -0.29 0.10 118.68 124.85 1ae5 s LEU 30 Ca -0.03 1.00 0.06 0.00 -0.22 0.00 0.00 54.13 54.95 1ae5 s LEU 30 Cb -0.05 -3.35 0.01 0.00 0.50 0.00 0.00 46.19 43.30 1ae5 s LEU 30 CO -0.00 -0.70 0.55 2.30 -1.32 0.00 0.00 176.35 177.17 1ae5 n ILE 31 N 5.56 0.00 -3.62 6.68 -5.35 -0.48 -0.70 119.36 121.44 1ae5 n ILE 31 Ca 0.09 -0.45 -0.08 0.00 -0.27 0.00 0.00 62.75 62.03 1ae5 n ILE 31 Cb 0.47 1.09 -0.06 0.00 -1.74 0.00 0.00 39.64 39.40 1ae5 n ILE 31 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 1ae5 s HIS 32 N -0.92 -0.36 0.66 4.28 5.04 -1.12 -4.73 115.29 118.14 1ae5 s HIS 32 Ca 0.06 0.79 0.10 0.00 -1.54 0.00 0.00 55.06 54.47 1ae5 s HIS 32 Cb 0.05 0.41 0.51 0.00 0.04 0.00 0.00 32.58 33.60 1ae5 s HIS 32 CO 0.14 -0.23 1.29 0.00 -2.34 0.00 0.00 174.74 173.60 1ae5 h ALA 33 N 3.39 1.81 -0.00 1.58 0.00 -1.94 0.41 119.26 124.51 1ae5 h ALA 33 Ca -0.24 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1ae5 h ALA 33 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1ae5 h ALA 33 CO 0.19 -0.80 -0.14 -2.13 0.00 0.00 0.00 179.25 176.37 1ae5 n ARG 34 N -2.63 2.59 -4.07 0.00 0.63 -1.26 -0.48 116.66 111.44 1ae5 n ARG 34 Ca -0.00 -0.43 -0.13 0.00 -0.92 0.00 0.00 57.85 56.37 1ae5 n ARG 34 Cb 0.81 -0.94 -0.12 0.00 0.45 0.00 0.00 32.46 32.67 1ae5 n ARG 34 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 1ae5 s PHE 35 N -1.05 0.68 -0.08 -0.14 0.40 0.14 0.74 117.98 118.68 1ae5 s PHE 35 Ca 0.05 -0.47 0.05 0.00 -0.60 0.00 0.00 56.93 55.96 1ae5 s PHE 35 Cb 0.05 -0.41 -0.01 0.00 0.51 0.00 0.00 43.02 43.17 1ae5 s PHE 35 CO 0.16 -0.07 -0.24 0.08 0.70 0.00 0.00 175.22 175.84 1ae5 s VAL 36 N -1.29 2.07 -0.14 -0.44 1.01 -0.51 -1.39 120.40 119.71 1ae5 s VAL 36 Ca -0.09 -1.04 -0.11 0.00 0.00 0.00 0.00 61.98 60.74 1ae5 s VAL 36 Cb -0.09 -1.76 -0.05 0.00 0.00 0.00 0.00 36.38 34.48 1ae5 s VAL 36 CO 0.00 0.57 0.21 -0.32 0.00 0.00 0.00 175.10 175.56 1ae5 s MET 37 N 0.05 3.94 0.00 2.72 1.75 0.11 -1.00 119.30 126.88 1ae5 s MET 37 Ca -0.10 -0.03 0.00 0.00 -1.25 0.00 0.00 55.69 54.31 1ae5 s MET 37 Cb -0.16 -3.33 0.00 0.00 2.84 0.00 0.00 34.83 34.19 1ae5 s MET 37 CO 0.06 0.48 0.00 -2.37 -0.65 0.00 0.00 175.02 172.54 1ae5 n THR 38 N 2.85 0.00 -3.80 10.11 5.66 0.27 -1.60 114.28 127.77 1ae5 n THR 38 Ca -0.16 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.49 1ae5 n THR 38 Cb 0.53 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.23 1ae5 n THR 38 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ae5 s ALA 39 N -1.66 3.66 0.44 1.79 0.00 -1.26 -0.54 121.76 124.20 1ae5 s ALA 39 Ca 0.00 -0.69 0.15 0.00 0.00 0.00 0.00 51.96 51.41 1ae5 s ALA 39 Cb 0.00 -2.10 1.00 0.00 0.00 0.00 0.00 23.12 22.03 1ae5 s ALA 39 CO 0.00 0.23 1.99 0.00 0.00 0.00 0.00 175.76 177.98 1ae5 h ALA 40 N 6.44 1.68 -0.25 0.00 0.00 -1.73 -2.38 119.26 123.01 1ae5 h ALA 40 Ca -0.42 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.39 1ae5 h ALA 40 Cb 1.16 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1ae5 h ALA 40 CO 0.73 0.23 0.19 0.66 0.00 0.00 0.00 179.25 181.05 1ae5 h SER 41 N 0.00 0.00 0.00 0.00 4.64 -1.94 -1.05 113.55 115.20 1ae5 h SER 41 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ae5 h SER 41 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1ae5 h SER 41 CO 0.02 0.00 0.02 0.00 -0.87 0.00 0.00 176.83 176.00 1ae5 n PHE 43 N -2.79 3.12 -0.10 0.00 3.01 -0.40 -4.74 117.46 115.56 1ae5 n PHE 43 Ca -0.02 -2.57 -0.20 0.00 1.01 0.00 0.00 57.45 55.66 1ae5 n PHE 43 Cb 0.08 -0.84 -0.07 0.00 -0.01 0.00 0.00 39.48 38.63 1ae5 n PHE 43 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1ae5 n GLN 44 N -0.52 0.42 -2.12 -1.08 6.02 -1.21 -5.00 117.38 113.90 1ae5 n GLN 44 Ca 0.49 0.18 -0.40 0.00 -0.01 0.00 0.00 57.00 57.27 1ae5 n GLN 44 Cb 0.37 -1.21 0.03 0.00 1.02 0.00 0.00 30.24 30.45 1ae5 n GLN 44 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1ae5 n SER 45 N -3.92 7.48 0.00 1.08 7.64 -1.26 -5.21 113.62 119.43 1ae5 n SER 45 Ca -0.37 -3.79 0.00 0.00 1.01 0.00 0.00 58.87 55.72 1ae5 n SER 45 Cb 0.75 -1.10 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 1ae5 n SER 45 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1ae5 n PRO 48 N -0.38 0.00 -0.28 1.43 -0.04 -1.26 -5.19 135.00 129.27 1ae5 n PRO 48 Ca 0.52 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.94 1ae5 n PRO 48 Cb 0.24 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.72 1ae5 n PRO 48 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ae5 n GLY 49 N 3.94 2.50 1.79 0.55 0.00 -1.26 -4.05 105.19 108.65 1ae5 n GLY 49 Ca 0.00 -0.19 -0.16 0.00 0.00 0.00 0.00 46.02 45.67 1ae5 n GLY 49 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ae5 n VAL 50 N 0.53 2.94 -3.68 1.61 0.24 -1.26 -4.66 118.33 114.05 1ae5 n VAL 50 Ca 0.08 -2.36 -0.21 0.00 -2.04 0.00 0.00 64.34 59.81 1ae5 n VAL 50 Cb 0.62 -0.44 -0.04 0.00 -1.47 0.00 0.00 33.84 32.50 1ae5 n VAL 50 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1ae5 s SER 51 N -1.89 4.98 0.23 -1.34 0.01 -1.26 -4.60 113.70 109.85 1ae5 s SER 51 Ca 0.52 -0.76 0.06 0.00 1.31 0.00 0.00 55.95 57.08 1ae5 s SER 51 Cb 0.45 -0.61 -0.05 0.00 0.21 0.00 0.00 66.02 66.02 1ae5 s SER 51 CO 0.06 -0.59 -0.07 0.28 0.41 0.00 0.00 173.24 173.33 1ae5 s THR 52 N -2.47 1.45 -0.11 1.44 -1.32 -0.33 -4.52 115.64 109.77 1ae5 s THR 52 Ca 0.46 -2.11 0.03 0.00 -1.21 0.00 0.00 61.69 58.86 1ae5 s THR 52 Cb -0.03 -2.25 0.01 0.00 -1.51 0.00 0.00 72.50 68.72 1ae5 s THR 52 CO 0.27 -0.43 -0.20 -0.69 -2.21 0.00 0.00 174.62 171.35 1ae5 s VAL 53 N -3.15 1.85 -0.20 5.08 1.01 0.09 -1.77 120.40 123.31 1ae5 s VAL 53 Ca 0.26 -0.87 -0.03 0.00 0.00 0.00 0.00 61.98 61.33 1ae5 s VAL 53 Cb 0.03 -1.63 -0.01 0.00 0.00 0.00 0.00 36.38 34.77 1ae5 s VAL 53 CO 0.08 0.51 -0.06 -0.69 0.00 0.00 0.00 175.10 174.94 1ae5 s VAL 54 N 0.67 3.30 0.20 2.92 1.01 0.91 -0.64 120.40 128.77 1ae5 s VAL 54 Ca -0.12 -0.53 0.08 0.00 0.00 0.00 0.00 61.98 61.41 1ae5 s VAL 54 Cb -0.16 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 1ae5 s VAL 54 CO 0.03 0.45 -0.00 -0.76 0.00 0.00 0.00 175.10 174.81 1ae5 s LEU 55 N 1.23 3.28 -0.14 3.92 1.43 -0.41 -1.24 118.68 126.75 1ae5 s LEU 55 Ca 0.03 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 52.67 1ae5 s LEU 55 Cb -0.14 -1.90 0.00 0.00 0.03 0.00 0.00 46.19 44.18 1ae5 s LEU 55 CO -0.02 0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.24 1ae5 n GLY 56 N -0.32 0.43 3.84 -3.19 0.00 -1.26 -1.45 105.19 103.24 1ae5 n GLY 56 Ca -0.09 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 1ae5 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ae5 s ALA 57 N -1.75 2.64 0.06 4.61 0.00 -1.26 -4.10 121.76 121.96 1ae5 s ALA 57 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 51.82 1ae5 s ALA 57 Cb 0.00 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 20.02 1ae5 s ALA 57 CO 0.00 -1.31 0.00 0.98 0.00 0.00 0.00 175.76 175.43 1ae5 n TYR 58 N -3.15 -0.49 -3.34 0.00 9.36 -1.26 -4.90 117.16 113.37 1ae5 n TYR 58 Ca 0.07 0.09 -0.42 0.00 3.32 0.00 0.00 57.90 60.96 1ae5 n TYR 58 Cb 0.55 0.42 -0.09 0.00 -0.63 0.00 0.00 39.34 39.59 1ae5 n TYR 58 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1ae5 s ASP 59 N -4.43 6.21 0.02 2.98 -1.08 -1.26 -3.95 116.67 115.16 1ae5 s ASP 59 Ca 0.00 -0.38 0.04 0.00 -0.52 0.00 0.00 52.55 51.69 1ae5 s ASP 59 Cb 0.00 -2.22 0.19 0.00 -1.46 0.00 0.00 42.92 39.44 1ae5 s ASP 59 CO 0.00 -0.46 1.13 0.18 0.52 0.00 0.00 175.17 176.54 1ae5 n LEU 60 N 5.53 0.04 0.01 -1.34 4.77 0.60 -2.08 117.00 124.53 1ae5 n LEU 60 Ca -0.08 0.52 0.11 0.00 -0.03 0.00 0.00 56.01 56.53 1ae5 n LEU 60 Cb 0.48 -0.52 -0.05 0.00 -2.33 0.00 0.00 43.42 41.00 1ae5 n LEU 60 CO 0.43 -0.47 -0.18 0.54 -1.33 0.00 0.00 177.39 176.38 1ae5 n ARG 61 N -1.55 0.31 -2.62 3.23 1.74 -1.26 -4.95 116.66 111.56 1ae5 n ARG 61 Ca 0.01 -0.04 -0.22 0.00 -0.77 0.00 0.00 57.85 56.83 1ae5 n ARG 61 Cb 0.04 -1.56 0.05 0.00 -1.02 0.00 0.00 32.46 29.97 1ae5 n ARG 61 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1ae5 s ARG 62 N -3.22 2.39 -0.04 5.56 6.06 -0.88 -5.04 118.95 123.77 1ae5 s ARG 62 Ca 0.02 -0.83 0.20 0.00 -2.50 0.00 0.00 55.73 52.63 1ae5 s ARG 62 Cb 0.15 -2.45 -0.26 0.00 0.06 0.00 0.00 34.95 32.44 1ae5 s ARG 62 CO 0.84 -0.85 0.47 0.54 -2.50 0.00 0.00 175.30 173.80 1ae5 n ARG 63 N -2.44 0.66 -3.80 5.12 5.12 -1.26 -4.96 116.66 115.10 1ae5 n ARG 63 Ca 0.09 -0.07 -0.23 0.00 -1.93 0.00 0.00 57.85 55.70 1ae5 n ARG 63 Cb 0.60 -1.58 -0.01 0.00 -1.16 0.00 0.00 32.46 30.31 1ae5 n ARG 63 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1ae5 n GLU 64 N -2.50 -0.70 -0.14 5.56 1.02 -1.26 -4.68 120.64 117.94 1ae5 n GLU 64 Ca -0.12 -0.13 0.10 0.00 -0.02 0.00 0.00 57.16 56.99 1ae5 n GLU 64 Cb 0.75 -1.24 0.44 0.00 -0.02 0.00 0.00 31.44 31.37 1ae5 n GLU 64 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ae5 h ARG 65 N -0.21 0.54 -0.00 3.49 3.08 -1.93 0.96 114.38 120.31 1ae5 h ARG 65 Ca -0.39 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.63 1ae5 h ARG 65 Cb 0.77 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.70 1ae5 h ARG 65 CO 0.32 0.36 -0.00 1.04 -1.07 0.00 0.00 179.97 180.62 1ae5 n GLN 66 N -4.48 1.05 -0.00 0.04 6.02 -1.26 -4.22 117.38 114.52 1ae5 n GLN 66 Ca 0.11 -0.12 -0.00 0.00 -0.01 0.00 0.00 57.00 56.98 1ae5 n GLN 66 Cb 0.34 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 30.10 1ae5 n GLN 66 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1ae5 n SER 67 N -0.87 2.31 -4.81 1.08 2.88 0.16 -5.07 113.62 109.29 1ae5 n SER 67 Ca 0.23 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.44 1ae5 n SER 67 Cb 0.15 -0.01 -0.03 0.00 -0.75 0.00 0.00 64.21 63.57 1ae5 n SER 67 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1ae5 s ARG 68 N -2.01 3.81 -0.04 -1.46 0.52 -0.21 -4.53 118.95 115.03 1ae5 s ARG 68 Ca -0.00 1.17 0.02 0.00 -0.52 0.00 0.00 55.73 56.40 1ae5 s ARG 68 Cb 0.00 -2.11 0.01 0.00 0.52 0.00 0.00 34.95 33.37 1ae5 s ARG 68 CO 0.01 -0.40 -0.10 -0.65 0.02 0.00 0.00 175.30 174.18 1ae5 s GLN 69 N -3.63 1.16 0.07 3.54 -0.21 -0.53 -4.91 119.66 115.16 1ae5 s GLN 69 Ca 0.63 -0.32 0.09 0.00 0.02 0.00 0.00 55.36 55.78 1ae5 s GLN 69 Cb -0.13 -1.05 -0.03 0.00 1.00 0.00 0.00 33.01 32.80 1ae5 s GLN 69 CO 0.25 0.08 -0.23 0.99 -2.12 0.00 0.00 175.29 174.26 1ae5 s THR 70 N 0.38 2.46 0.06 -0.19 2.01 -1.26 -1.28 115.64 117.82 1ae5 s THR 70 Ca -0.07 -1.43 -0.06 0.00 0.31 0.00 0.00 61.69 60.44 1ae5 s THR 70 Cb -0.11 -2.03 -0.01 0.00 0.01 0.00 0.00 72.50 70.35 1ae5 s THR 70 CO 0.01 0.26 0.11 -0.36 -0.69 0.00 0.00 174.62 173.96 1ae5 s PHE 71 N -0.94 0.25 0.25 4.92 0.40 0.18 -4.96 117.98 118.08 1ae5 s PHE 71 Ca 0.14 -0.66 0.05 0.00 -0.60 0.00 0.00 56.93 55.87 1ae5 s PHE 71 Cb -0.10 -0.16 -0.03 0.00 0.51 0.00 0.00 43.02 43.24 1ae5 s PHE 71 CO 0.05 -0.45 0.36 -1.12 0.70 0.00 0.00 175.22 174.76 1ae5 s SER 72 N -2.63 6.22 -0.43 1.36 0.01 -1.26 -0.74 113.70 116.23 1ae5 s SER 72 Ca 0.02 0.02 -0.14 0.00 1.31 0.00 0.00 55.95 57.16 1ae5 s SER 72 Cb 0.04 -1.76 0.05 0.00 0.21 0.00 0.00 66.02 64.55 1ae5 s SER 72 CO -0.09 -0.10 0.33 -0.63 0.41 0.00 0.00 173.24 173.16 1ae5 s ILE 73 N -2.01 5.04 0.01 1.44 1.01 -1.26 -0.38 121.20 125.05 1ae5 s ILE 73 Ca 0.35 -0.95 -0.22 0.00 0.00 0.00 0.00 60.65 59.82 1ae5 s ILE 73 Cb -0.09 -3.93 -0.18 0.00 0.01 0.00 0.00 42.46 38.27 1ae5 s ILE 73 CO 0.29 -0.44 1.24 0.77 0.00 0.00 0.00 174.94 176.80 1ae5 h SER 74 N 8.64 0.29 -5.05 3.58 4.64 -0.76 -3.47 113.55 121.41 1ae5 h SER 74 Ca -0.27 -0.57 -0.13 0.00 -0.47 0.00 0.00 61.79 60.36 1ae5 h SER 74 Cb 1.11 -0.08 -0.18 0.00 -0.31 0.00 0.00 62.40 62.93 1ae5 h SER 74 CO 0.79 0.80 -0.47 -0.94 -0.87 0.00 0.00 176.83 176.15 1ae5 s SER 75 N -6.13 0.08 -0.11 4.97 1.04 -1.24 -4.89 113.70 107.42 1ae5 s SER 75 Ca -0.15 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 55.90 1ae5 s SER 75 Cb 0.03 0.24 -0.02 0.00 0.10 0.00 0.00 66.02 66.38 1ae5 s SER 75 CO 0.74 -0.49 -0.11 -0.04 0.98 0.00 0.00 173.24 174.32 1ae5 s MET 76 N -2.25 3.22 -0.09 4.02 1.00 -1.26 -0.38 119.30 123.56 1ae5 s MET 76 Ca -0.08 -0.65 0.01 0.00 0.00 0.00 0.00 55.69 54.98 1ae5 s MET 76 Cb -0.03 -2.63 0.02 0.00 0.00 0.00 0.00 34.83 32.19 1ae5 s MET 76 CO -0.03 0.33 -0.12 -1.12 0.00 0.00 0.00 175.02 174.08 1ae5 s SER 77 N 0.06 2.08 0.14 3.03 0.01 0.12 -4.94 113.70 114.19 1ae5 s SER 77 Ca -0.04 -0.34 0.08 0.00 1.31 0.00 0.00 55.95 56.96 1ae5 s SER 77 Cb -0.14 -0.91 -0.04 0.00 0.21 0.00 0.00 66.02 65.14 1ae5 s SER 77 CO 0.04 -0.01 -0.19 -1.83 0.41 0.00 0.00 173.24 171.66 1ae5 s GLU 78 N 1.01 1.22 -0.57 12.44 4.04 -1.26 0.77 118.70 136.35 1ae5 s GLU 78 Ca -0.07 -1.32 0.07 0.00 0.04 0.00 0.00 54.97 53.69 1ae5 s GLU 78 Cb -0.15 -1.36 0.25 0.00 0.02 0.00 0.00 34.13 32.89 1ae5 s GLU 78 CO -0.01 0.29 0.69 -1.71 -1.84 0.00 0.00 175.26 172.69 1ae5 n ASN 79 N 0.60 2.83 0.00 0.83 5.15 -1.26 -4.85 115.26 118.56 1ae5 n ASN 79 Ca -0.16 -3.25 0.00 0.00 -0.60 0.00 0.00 54.58 50.57 1ae5 n ASN 79 Cb 0.56 -0.66 0.00 0.00 -0.53 0.00 0.00 39.78 39.15 1ae5 n ASN 79 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ae5 n GLY 80 N 0.96 1.24 3.74 8.20 0.00 -1.26 -4.93 105.19 113.14 1ae5 n GLY 80 Ca 0.28 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 1ae5 n GLY 80 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ae5 s TYR 81 N -2.00 2.78 -0.28 1.61 5.04 -1.26 -4.58 117.35 118.66 1ae5 s TYR 81 Ca 0.00 0.64 0.01 0.00 -2.44 0.00 0.00 57.07 55.28 1ae5 s TYR 81 Cb 0.00 -4.10 0.08 0.00 0.35 0.00 0.00 41.96 38.29 1ae5 s TYR 81 CO 0.00 -3.85 0.03 0.34 -1.34 0.00 0.00 175.55 170.73 1ae5 s ASP 82 N 0.70 4.08 0.17 4.32 2.15 0.41 -4.95 116.67 123.55 1ae5 s ASP 82 Ca 0.67 -1.55 -0.14 0.00 0.43 0.00 0.00 52.55 51.95 1ae5 s ASP 82 Cb -0.49 -1.14 0.11 0.00 -0.30 0.00 0.00 42.92 41.10 1ae5 s ASP 82 CO 0.44 -0.34 1.77 1.55 -0.17 0.00 0.00 175.17 178.41 1ae5 h PRO 83 N 7.94 0.37 -0.47 4.34 0.13 -1.92 2.36 132.00 144.75 1ae5 h PRO 83 Ca -0.13 -0.02 0.09 0.00 -0.87 0.00 0.00 66.00 65.07 1ae5 h PRO 83 Cb 1.04 -0.08 -0.08 0.00 0.13 0.00 0.00 31.00 32.01 1ae5 h PRO 83 CO 0.45 0.24 -0.06 0.37 -0.23 0.00 0.00 178.00 178.78 1ae5 h GLN 84 N 0.38 0.05 -0.01 0.86 -0.00 -1.98 -2.84 115.11 111.58 1ae5 h GLN 84 Ca 0.20 -0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.85 1ae5 h GLN 84 Cb 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 27.48 27.62 1ae5 h GLN 84 CO -0.17 0.04 -0.53 1.04 0.00 0.00 0.00 178.83 179.20 1ae5 n GLN 85 N -5.28 1.65 -3.23 1.69 1.13 -1.09 -4.98 117.38 107.28 1ae5 n GLN 85 Ca 0.04 -0.47 -0.15 0.00 -1.94 0.00 0.00 57.00 54.48 1ae5 n GLN 85 Cb 0.25 -1.28 0.07 0.00 0.11 0.00 0.00 30.24 29.39 1ae5 n GLN 85 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1ae5 n ASN 86 N -0.67 -3.14 -4.88 1.08 4.13 0.78 -4.99 115.26 107.58 1ae5 n ASN 86 Ca 0.05 -0.48 -0.37 0.00 1.68 0.00 0.00 54.58 55.46 1ae5 n ASN 86 Cb 0.31 -4.22 -0.06 0.00 -1.54 0.00 0.00 39.78 34.27 1ae5 n ASN 86 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1ae5 s LEU 87 N -5.70 4.40 -1.24 3.41 1.43 -0.07 -4.38 118.68 116.52 1ae5 s LEU 87 Ca 0.15 0.52 -0.03 0.00 -1.03 0.00 0.00 54.13 53.74 1ae5 s LEU 87 Cb -0.07 -2.17 0.00 0.00 0.03 0.00 0.00 46.19 43.99 1ae5 s LEU 87 CO 0.59 0.39 1.05 0.59 0.23 0.00 0.00 176.35 179.20 1ae5 n ASN 88 N 1.88 -3.33 -4.57 2.29 3.02 -1.26 -0.44 115.26 112.84 1ae5 n ASN 88 Ca -0.19 -0.59 -0.43 0.00 -0.03 0.00 0.00 54.58 53.34 1ae5 n ASN 88 Cb 0.55 -5.09 -0.00 0.00 -0.61 0.00 0.00 39.78 34.62 1ae5 n ASN 88 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1ae5 s ASP 89 N -4.05 6.84 -0.17 6.41 2.15 -1.26 -4.14 116.67 122.45 1ae5 s ASP 89 Ca 0.17 -2.43 -0.14 0.00 0.43 0.00 0.00 52.55 50.58 1ae5 s ASP 89 Cb -0.08 -2.57 0.05 0.00 -0.30 0.00 0.00 42.92 40.02 1ae5 s ASP 89 CO 0.73 -1.17 0.44 -0.22 -0.17 0.00 0.00 175.17 174.78 1ae5 s LEU 90 N 4.15 0.26 -0.04 -1.34 2.96 -1.26 -4.18 118.68 119.23 1ae5 s LEU 90 Ca 0.53 0.89 -0.12 0.00 -0.22 0.00 0.00 54.13 55.21 1ae5 s LEU 90 Cb 0.04 1.49 0.02 0.00 0.50 0.00 0.00 46.19 48.23 1ae5 s LEU 90 CO 0.07 -0.16 0.27 -0.32 -1.32 0.00 0.00 176.35 174.89 1ae5 s MET 91 N 0.40 0.54 -0.10 1.98 -2.45 0.30 -4.22 119.30 115.75 1ae5 s MET 91 Ca -0.01 -0.07 0.01 0.00 -1.25 0.00 0.00 55.69 54.36 1ae5 s MET 91 Cb -0.04 0.24 -0.02 0.00 1.25 0.00 0.00 34.83 36.26 1ae5 s MET 91 CO -0.01 -0.13 -0.11 -0.51 1.05 0.00 0.00 175.02 175.31 1ae5 s LEU 92 N -0.93 2.90 -0.11 4.11 1.43 0.23 -0.56 118.68 125.75 1ae5 s LEU 92 Ca -0.10 -0.19 0.02 0.00 -1.03 0.00 0.00 54.13 52.82 1ae5 s LEU 92 Cb -0.05 -1.64 -0.01 0.00 0.03 0.00 0.00 46.19 44.52 1ae5 s LEU 92 CO 0.03 0.26 -0.17 -0.76 0.23 0.00 0.00 176.35 175.94 1ae5 s LEU 93 N -0.21 2.52 -0.18 1.79 1.43 -0.17 0.11 118.68 123.98 1ae5 s LEU 93 Ca 0.01 -0.38 -0.16 0.00 -1.03 0.00 0.00 54.13 52.57 1ae5 s LEU 93 Cb -0.13 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.51 1ae5 s LEU 93 CO 0.03 0.19 0.39 -1.58 0.23 0.00 0.00 176.35 175.61 1ae5 s GLN 94 N 0.20 4.23 0.46 1.70 0.74 0.49 -1.42 119.66 126.04 1ae5 s GLN 94 Ca -0.10 0.23 -0.22 0.00 0.05 0.00 0.00 55.36 55.32 1ae5 s GLN 94 Cb -0.16 -3.49 -0.08 0.00 1.10 0.00 0.00 33.01 30.38 1ae5 s GLN 94 CO 0.06 0.06 1.08 -0.51 -0.55 0.00 0.00 175.29 175.43 1ae5 s LEU 95 N 1.00 3.96 0.63 3.68 1.43 0.23 -0.12 118.68 129.49 1ae5 s LEU 95 Ca 0.20 2.09 0.36 0.00 -1.03 0.00 0.00 54.13 55.75 1ae5 s LEU 95 Cb -0.14 -4.37 2.04 0.00 0.03 0.00 0.00 46.19 43.74 1ae5 s LEU 95 CO 0.07 -0.79 2.24 -2.24 0.23 0.00 0.00 176.35 175.87 1ae5 h ASP 96 N 1.92 0.00 -5.06 2.29 3.04 -1.04 -3.41 116.42 114.15 1ae5 h ASP 96 Ca -0.49 0.00 0.02 0.00 -3.24 0.00 0.00 57.03 53.32 1ae5 h ASP 96 Cb 1.23 0.00 -0.07 0.00 -1.04 0.00 0.00 39.33 39.45 1ae5 h ASP 96 CO 0.60 0.00 0.13 0.00 -2.04 0.00 0.00 179.24 177.93 1ae5 s ARG 97 N -4.37 1.64 -0.01 4.15 1.70 -1.26 -5.00 118.95 115.80 1ae5 s ARG 97 Ca -0.05 -0.99 -0.30 0.00 -0.47 0.00 0.00 55.73 53.92 1ae5 s ARG 97 Cb 0.14 0.57 -0.04 0.00 -0.57 0.00 0.00 34.95 35.04 1ae5 s ARG 97 CO 0.46 -0.73 1.24 -1.21 -1.08 0.00 0.00 175.30 173.98 1ae5 s GLU 98 N -3.92 4.36 0.82 3.89 2.02 -1.26 -4.73 118.70 119.88 1ae5 s GLU 98 Ca 0.12 1.76 -0.11 0.00 0.02 0.00 0.00 54.97 56.76 1ae5 s GLU 98 Cb -0.04 -3.51 0.09 0.00 0.10 0.00 0.00 34.13 30.77 1ae5 s GLU 98 CO 0.05 -0.43 1.14 0.00 0.02 0.00 0.00 175.26 176.04 1ae5 s ALA 99 N 1.96 1.90 -0.16 5.21 0.00 0.37 -5.00 121.76 126.04 1ae5 s ALA 99 Ca 0.58 0.53 -0.08 0.00 0.00 0.00 0.00 51.96 52.99 1ae5 s ALA 99 Cb -0.27 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.42 1ae5 s ALA 99 CO 0.25 -2.19 0.12 -0.80 0.00 0.00 0.00 175.76 173.14 1ae5 s ASN 100 N -2.80 6.18 -0.47 0.00 0.01 -1.26 -4.89 114.94 111.71 1ae5 s ASN 100 Ca 0.66 0.30 -0.24 0.00 -0.71 0.00 0.00 52.86 52.87 1ae5 s ASN 100 Cb -0.22 -2.05 0.03 0.00 0.41 0.00 0.00 41.25 39.42 1ae5 s ASN 100 CO 0.54 0.27 0.87 -0.76 -1.51 0.00 0.00 177.10 176.51 1ae5 s LEU 101 N -0.19 4.12 0.00 0.60 1.43 -1.26 -4.81 118.68 118.57 1ae5 s LEU 101 Ca 0.10 -0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.17 1ae5 s LEU 101 Cb -0.12 -3.06 0.00 0.00 0.03 0.00 0.00 46.19 43.05 1ae5 s LEU 101 CO 0.01 -1.02 0.04 0.35 0.23 0.00 0.00 176.35 175.95 1ae5 n THR 102 N 6.28 0.00 0.53 5.49 -2.24 -0.60 -4.95 114.28 118.80 1ae5 n THR 102 Ca 0.04 -0.51 0.09 0.00 -2.27 0.00 0.00 64.05 61.40 1ae5 n THR 102 Cb 0.48 -0.13 0.38 0.00 -2.10 0.00 0.00 70.33 68.97 1ae5 n THR 102 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1ae5 n SER 103 N -1.48 0.16 -0.26 3.42 3.41 -1.26 -1.81 113.62 115.80 1ae5 n SER 103 Ca -0.03 0.54 0.03 0.00 -0.26 0.00 0.00 58.87 59.15 1ae5 n SER 103 Cb 0.14 -0.57 0.05 0.00 -0.26 0.00 0.00 64.21 63.57 1ae5 n SER 103 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1ae5 n SER 104 N -1.68 2.03 -3.45 4.04 3.41 -1.26 -4.88 113.62 111.84 1ae5 n SER 104 Ca 0.04 -1.69 -0.17 0.00 -0.26 0.00 0.00 58.87 56.79 1ae5 n SER 104 Cb 0.21 -0.07 -0.11 0.00 -0.26 0.00 0.00 64.21 63.98 1ae5 n SER 104 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1ae5 s VAL 105 N -0.77 -0.39 0.34 -3.33 1.01 -0.75 -4.05 120.40 112.46 1ae5 s VAL 105 Ca 0.09 -0.21 0.03 0.00 0.00 0.00 0.00 61.98 61.89 1ae5 s VAL 105 Cb 0.05 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 1ae5 s VAL 105 CO 0.07 -0.27 0.10 0.42 0.00 0.00 0.00 175.10 175.43 1ae5 s THR 106 N 2.37 0.78 -0.07 3.92 -4.23 -0.96 -1.56 115.64 115.89 1ae5 s THR 106 Ca 0.09 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.52 1ae5 s THR 106 Cb -0.15 -2.58 -0.04 0.00 1.34 0.00 0.00 72.50 71.07 1ae5 s THR 106 CO -0.18 0.00 0.21 -0.63 -0.54 0.00 0.00 174.62 173.48 1ae5 s ILE 107 N -3.37 5.39 -0.21 2.99 1.01 -1.26 -3.82 121.20 121.92 1ae5 s ILE 107 Ca 0.32 0.27 -0.09 0.00 0.00 0.00 0.00 60.65 61.15 1ae5 s ILE 107 Cb 0.06 -3.49 -0.05 0.00 0.01 0.00 0.00 42.46 38.99 1ae5 s ILE 107 CO 0.15 0.54 0.11 -0.22 0.00 0.00 0.00 174.94 175.52 1ae5 s LEU 108 N -1.25 4.00 0.72 2.97 2.96 0.12 -4.94 118.68 123.26 1ae5 s LEU 108 Ca 0.20 0.12 -0.11 0.00 -0.22 0.00 0.00 54.13 54.11 1ae5 s LEU 108 Cb -0.13 -2.04 0.03 0.00 0.50 0.00 0.00 46.19 44.54 1ae5 s LEU 108 CO 0.09 0.13 1.08 -2.16 -1.32 0.00 0.00 176.35 174.17 1ae5 s PRO 109 N 0.67 2.62 0.11 0.98 0.04 -1.26 -4.61 135.00 133.55 1ae5 s PRO 109 Ca 0.06 1.11 0.06 0.00 0.04 0.00 0.00 61.00 62.27 1ae5 s PRO 109 Cb -0.13 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 1ae5 s PRO 109 CO 0.01 -1.36 -0.03 -0.51 0.04 0.00 0.00 177.00 175.15 1ae5 s LEU 110 N -5.60 3.29 0.67 -3.56 1.43 -1.26 -1.99 118.68 111.65 1ae5 s LEU 110 Ca 0.61 -0.30 -0.11 0.00 -1.03 0.00 0.00 54.13 53.30 1ae5 s LEU 110 Cb -0.16 -2.02 -0.01 0.00 0.03 0.00 0.00 46.19 44.02 1ae5 s LEU 110 CO 0.53 0.16 1.05 -2.16 0.23 0.00 0.00 176.35 176.16 1ae5 s PRO 111 N -2.42 3.18 0.71 1.29 0.05 -1.26 -4.92 135.00 131.63 1ae5 s PRO 111 Ca 0.25 0.84 -0.14 0.00 0.05 0.00 0.00 61.00 62.00 1ae5 s PRO 111 Cb -0.11 -2.03 0.03 0.00 0.05 0.00 0.00 34.50 32.44 1ae5 s PRO 111 CO 0.17 -0.90 1.12 -0.51 0.05 0.00 0.00 177.00 176.93 1ae5 s LEU 112 N -5.40 3.27 0.09 -3.56 1.43 -1.26 -4.80 118.68 108.45 1ae5 s LEU 112 Ca 0.57 2.01 -0.36 0.00 -1.03 0.00 0.00 54.13 55.32 1ae5 s LEU 112 Cb -0.13 -4.55 -0.16 0.00 0.03 0.00 0.00 46.19 41.38 1ae5 s LEU 112 CO 0.54 -1.89 1.38 1.67 0.23 0.00 0.00 176.35 178.29 1ae5 n GLN 113 N -2.82 1.29 -0.86 1.70 -0.06 -1.26 -1.09 117.38 114.29 1ae5 n GLN 113 Ca 0.11 0.47 0.00 0.00 -2.00 0.00 0.00 57.00 55.57 1ae5 n GLN 113 Cb 0.52 -2.13 0.00 0.00 -4.06 0.00 0.00 30.24 24.57 1ae5 n GLN 113 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 1ae5 n ASN 114 N 2.69 -1.96 -4.70 1.69 3.02 0.79 -5.00 115.26 111.79 1ae5 n ASN 114 Ca 0.18 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.42 1ae5 n ASN 114 Cb 0.20 -1.59 0.14 0.00 -0.61 0.00 0.00 39.78 37.92 1ae5 n ASN 114 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ae5 s ALA 115 N -2.05 1.72 0.20 5.41 0.00 -0.25 -4.98 121.76 121.81 1ae5 s ALA 115 Ca 0.00 0.46 0.04 0.00 0.00 0.00 0.00 51.96 52.46 1ae5 s ALA 115 Cb 0.00 -3.38 -0.05 0.00 0.00 0.00 0.00 23.12 19.69 1ae5 s ALA 115 CO 0.00 -2.43 -0.04 0.95 0.00 0.00 0.00 175.76 174.24 1ae5 s THR 116 N -2.74 1.12 -0.08 0.00 -4.23 -1.26 -4.74 115.64 103.71 1ae5 s THR 116 Ca 0.65 -2.05 0.02 0.00 -1.18 0.00 0.00 61.69 59.12 1ae5 s THR 116 Cb -0.21 -2.18 0.02 0.00 1.34 0.00 0.00 72.50 71.47 1ae5 s THR 116 CO 0.57 -0.47 -0.11 0.54 -0.54 0.00 0.00 174.62 174.61 1ae5 s VAL 117 N -3.36 1.13 0.59 2.29 0.11 -1.26 -5.12 120.40 114.78 1ae5 s VAL 117 Ca 0.24 -0.44 -0.10 0.00 -2.93 0.00 0.00 61.98 58.75 1ae5 s VAL 117 Cb 0.04 -1.05 -0.04 0.00 -1.53 0.00 0.00 36.38 33.80 1ae5 s VAL 117 CO 0.06 0.36 0.99 -1.83 -3.33 0.00 0.00 175.10 171.35 1ae5 s GLU 118 N 0.90 3.60 0.34 1.54 -1.05 -1.26 -4.94 118.70 117.82 1ae5 s GLU 118 Ca -0.10 0.67 -0.28 0.00 -0.15 0.00 0.00 54.97 55.11 1ae5 s GLU 118 Cb -0.15 -2.13 -0.12 0.00 -0.44 0.00 0.00 34.13 31.28 1ae5 s GLU 118 CO 0.01 -0.50 1.24 0.00 0.95 0.00 0.00 175.26 176.96 1ae5 n ALA 119 N -2.64 1.06 -0.08 -0.84 0.00 -1.26 -1.08 120.51 115.67 1ae5 n ALA 119 Ca 0.05 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1ae5 n ALA 119 Cb 0.54 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.77 1ae5 n ALA 119 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ae5 n GLY 120 N 0.84 0.79 3.75 0.00 0.00 0.51 -4.93 105.19 106.15 1ae5 n GLY 120 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 1ae5 n GLY 120 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ae5 s THR 121 N -2.36 3.58 -0.16 2.61 2.01 -0.24 -4.67 115.64 116.40 1ae5 s THR 121 Ca 0.00 1.53 -0.20 0.00 0.31 0.00 0.00 61.69 63.33 1ae5 s THR 121 Cb 0.00 -3.97 -0.03 0.00 0.01 0.00 0.00 72.50 68.50 1ae5 s THR 121 CO 0.00 0.34 0.58 -0.13 -0.69 0.00 0.00 174.62 174.72 1ae5 s ARG 122 N -1.19 4.27 0.35 4.92 3.00 -1.26 -0.68 118.95 128.37 1ae5 s ARG 122 Ca 0.46 0.57 0.04 0.00 0.00 0.00 0.00 55.73 56.79 1ae5 s ARG 122 Cb -0.31 -3.52 -0.04 0.00 0.00 0.00 0.00 34.95 31.08 1ae5 s ARG 122 CO 0.39 -0.07 0.13 0.00 0.00 0.00 0.00 175.30 175.75 1ae5 s GLN 124 N -3.79 0.91 -0.04 0.00 -0.21 -0.77 0.20 119.66 115.97 1ae5 s GLN 124 Ca 0.31 -0.91 -0.03 0.00 0.02 0.00 0.00 55.36 54.75 1ae5 s GLN 124 Cb 0.05 -0.95 0.01 0.00 1.00 0.00 0.00 33.01 33.12 1ae5 s GLN 124 CO 0.16 0.22 0.10 0.54 -2.12 0.00 0.00 175.29 174.19 1ae5 s VAL 125 N -1.10 -0.01 0.06 1.09 0.11 -0.99 -1.35 120.40 118.21 1ae5 s VAL 125 Ca 0.00 0.04 0.01 0.00 -2.93 0.00 0.00 61.98 59.11 1ae5 s VAL 125 Cb -0.09 -0.15 -0.03 0.00 -1.53 0.00 0.00 36.38 34.58 1ae5 s VAL 125 CO 0.02 0.02 -0.06 0.00 -3.33 0.00 0.00 175.10 171.75 1ae5 s ALA 126 N 0.28 0.68 0.00 1.54 0.00 -1.26 -0.85 121.76 122.15 1ae5 s ALA 126 Ca -0.02 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.90 1ae5 s ALA 126 Cb -0.03 0.13 0.00 0.00 0.00 0.00 0.00 23.12 23.22 1ae5 s ALA 126 CO -0.01 -0.17 0.00 0.41 0.00 0.00 0.00 175.76 175.99 1ae5 n GLY 127 N 0.69 -0.48 1.60 0.00 0.00 -0.34 -4.71 105.19 101.95 1ae5 n GLY 127 Ca -0.17 -1.01 0.08 0.00 0.00 0.00 0.00 46.02 44.92 1ae5 n GLY 127 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1ae5 n TRP 128 N -0.19 1.60 -1.06 1.61 8.01 -1.26 -1.33 117.44 124.81 1ae5 n TRP 128 Ca 0.00 -0.67 -0.29 0.00 -1.31 0.00 0.00 57.50 55.23 1ae5 n TRP 128 Cb 0.00 -0.33 0.19 0.00 -2.01 0.00 0.00 31.31 29.16 1ae5 n TRP 128 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1ae5 s GLY 129 N -0.97 1.57 1.09 6.99 0.00 -1.26 -1.91 107.32 112.83 1ae5 s GLY 129 Ca 0.51 -0.29 -0.13 0.00 0.00 0.00 0.00 44.72 44.80 1ae5 s GLY 129 CO 0.20 0.33 1.07 -1.35 0.00 0.00 0.00 173.10 173.35 1ae5 s SER 130 N -3.29 1.78 0.00 1.64 1.04 0.26 -1.26 113.70 113.88 1ae5 s SER 130 Ca 0.66 1.21 0.15 0.00 0.48 0.00 0.00 55.95 58.45 1ae5 s SER 130 Cb -0.20 -1.88 0.38 0.00 0.10 0.00 0.00 66.02 64.42 1ae5 s SER 130 CO 0.59 -3.66 1.30 0.00 0.98 0.00 0.00 173.24 172.45 1ae5 n GLN 131 N -4.53 2.54 -3.56 4.02 3.00 -1.26 -0.36 117.38 117.24 1ae5 n GLN 131 Ca 0.05 -2.14 -0.13 0.00 -0.01 0.00 0.00 57.00 54.77 1ae5 n GLN 131 Cb 0.57 -1.37 -0.06 0.00 0.00 0.00 0.00 30.24 29.38 1ae5 n GLN 131 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.06 176.08 1ae5 s ARG 132 N -1.05 0.76 0.21 -1.09 1.70 -1.26 -4.76 118.95 113.45 1ae5 s ARG 132 Ca 0.30 0.24 -0.32 0.00 -0.47 0.00 0.00 55.73 55.48 1ae5 s ARG 132 Cb 0.16 0.36 -0.14 0.00 -0.57 0.00 0.00 34.95 34.76 1ae5 s ARG 132 CO 0.22 -0.23 1.32 0.43 -1.08 0.00 0.00 175.30 175.96 1ae5 n SER 133 N 0.94 2.19 0.00 -2.89 7.64 -1.26 -0.11 113.62 120.13 1ae5 n SER 133 Ca -0.14 1.14 0.00 0.00 1.01 0.00 0.00 58.87 60.88 1ae5 n SER 133 Cb 0.57 -1.34 0.00 0.00 -1.01 0.00 0.00 64.21 62.43 1ae5 n SER 133 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ae5 n GLY 134 N 2.15 0.00 2.52 0.23 0.00 -1.26 -4.95 105.19 103.87 1ae5 n GLY 134 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 1ae5 n GLY 134 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ae5 n GLY 135 N -0.69 -1.86 3.85 -0.02 0.00 0.84 -5.04 105.19 102.27 1ae5 n GLY 135 Ca 0.00 -1.62 -0.32 0.00 0.00 0.00 0.00 46.02 44.08 1ae5 n GLY 135 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ae5 s ARG 136 N -4.86 3.99 0.94 1.61 1.70 -1.26 -4.81 118.95 116.26 1ae5 s ARG 136 Ca 0.50 0.71 -0.11 0.00 -0.47 0.00 0.00 55.73 56.36 1ae5 s ARG 136 Cb -0.03 -2.37 0.16 0.00 -0.57 0.00 0.00 34.95 32.14 1ae5 s ARG 136 CO 0.36 0.07 1.12 -0.51 -1.08 0.00 0.00 175.30 175.25 1ae5 s LEU 137 N -3.25 2.50 -0.06 -1.89 1.43 -1.26 -4.22 118.68 111.94 1ae5 s LEU 137 Ca 0.55 2.01 -0.14 0.00 -1.03 0.00 0.00 54.13 55.52 1ae5 s LEU 137 Cb -0.10 -4.34 -0.05 0.00 0.03 0.00 0.00 46.19 41.73 1ae5 s LEU 137 CO 0.20 -3.16 0.36 -0.55 0.23 0.00 0.00 176.35 173.44 1ae5 s SER 138 N -2.76 6.68 0.33 2.29 0.15 -0.80 -4.86 113.70 114.72 1ae5 s SER 138 Ca 0.66 0.80 0.20 0.00 0.70 0.00 0.00 55.95 58.32 1ae5 s SER 138 Cb -0.22 -2.22 0.17 0.00 -1.71 0.00 0.00 66.02 62.04 1ae5 s SER 138 CO 0.59 0.27 1.41 0.08 1.20 0.00 0.00 173.24 176.79 1ae5 h ARG 139 N 5.27 0.00 -6.29 5.44 0.11 -1.94 -3.45 114.38 113.53 1ae5 h ARG 139 Ca -0.49 0.00 -0.61 0.00 0.10 0.00 0.00 59.98 58.98 1ae5 h ARG 139 Cb 1.21 0.00 -0.10 0.00 1.11 0.00 0.00 29.97 32.19 1ae5 h ARG 139 CO 0.65 0.16 -0.63 -0.06 0.10 0.00 0.00 179.97 180.19 1ae5 s PHE 140 N -3.14 3.00 0.49 4.08 0.08 -1.26 -0.29 117.98 120.94 1ae5 s PHE 140 Ca 0.04 -0.05 -0.19 0.00 0.12 0.00 0.00 56.93 56.85 1ae5 s PHE 140 Cb 0.07 -1.48 -0.09 0.00 -0.57 0.00 0.00 43.02 40.95 1ae5 s PHE 140 CO 0.72 0.51 0.99 -1.25 -0.10 0.00 0.00 175.22 176.09 1ae5 s PRO 141 N -2.77 3.94 0.11 0.24 0.04 -1.25 -4.68 135.00 130.64 1ae5 s PRO 141 Ca 0.28 1.13 0.04 0.00 0.04 0.00 0.00 61.00 62.50 1ae5 s PRO 141 Cb -0.10 -2.13 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 1ae5 s PRO 141 CO 0.20 -0.28 -0.11 1.03 0.04 0.00 0.00 177.00 177.88 1ae5 s ARG 142 N -3.57 0.94 0.04 4.56 0.52 -0.44 -0.25 118.95 120.74 1ae5 s ARG 142 Ca 0.62 -1.24 -0.04 0.00 -0.52 0.00 0.00 55.73 54.55 1ae5 s ARG 142 Cb -0.12 -0.64 -0.02 0.00 0.52 0.00 0.00 34.95 34.70 1ae5 s ARG 142 CO 0.23 0.10 0.05 -0.59 0.02 0.00 0.00 175.30 175.11 1ae5 s PHE 143 N -2.58 0.28 0.01 -0.53 -0.71 0.05 -1.19 117.98 113.31 1ae5 s PHE 143 Ca 0.09 -0.64 0.00 0.00 -1.04 0.00 0.00 56.93 55.34 1ae5 s PHE 143 Cb -0.02 -0.20 -0.01 0.00 -1.21 0.00 0.00 43.02 41.58 1ae5 s PHE 143 CO 0.01 -0.35 -0.02 0.54 -1.34 0.00 0.00 175.22 174.06 1ae5 s VAL 144 N -2.81 0.08 -0.07 -2.49 0.11 -0.03 -1.79 120.40 113.40 1ae5 s VAL 144 Ca -0.03 -0.54 -0.27 0.00 -2.93 0.00 0.00 61.98 58.20 1ae5 s VAL 144 Cb 0.00 -0.17 -0.03 0.00 -1.53 0.00 0.00 36.38 34.65 1ae5 s VAL 144 CO -0.06 -0.29 0.88 0.20 -3.33 0.00 0.00 175.10 172.50 1ae5 s ASN 145 N -0.86 7.17 0.30 3.54 0.01 -1.26 -2.34 114.94 121.49 1ae5 s ASN 145 Ca -0.09 1.42 0.04 0.00 -0.71 0.00 0.00 52.86 53.52 1ae5 s ASN 145 Cb -0.06 -2.50 -0.06 0.00 0.41 0.00 0.00 41.25 39.04 1ae5 s ASN 145 CO -0.01 -0.27 0.03 0.68 -1.51 0.00 0.00 177.10 176.02 1ae5 s VAL 146 N 1.32 1.21 -0.01 1.60 -7.23 0.13 -4.85 120.40 112.57 1ae5 s VAL 146 Ca 0.45 -2.02 0.05 0.00 -1.81 0.00 0.00 61.98 58.65 1ae5 s VAL 146 Cb -0.19 -2.66 -0.01 0.00 0.56 0.00 0.00 36.38 34.07 1ae5 s VAL 146 CO 0.21 -0.10 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.84 1ae5 s THR 147 N -3.29 1.34 -0.01 5.32 2.01 0.98 -1.04 115.64 120.94 1ae5 s THR 147 Ca 0.34 -0.74 -0.30 0.00 0.31 0.00 0.00 61.69 61.30 1ae5 s THR 147 Cb 0.07 -1.12 -0.04 0.00 0.01 0.00 0.00 72.50 71.43 1ae5 s THR 147 CO 0.14 0.36 1.17 -0.69 -0.69 0.00 0.00 174.62 174.91 1ae5 s VAL 148 N -0.42 4.26 0.85 3.82 1.01 0.15 -1.05 120.40 129.02 1ae5 s VAL 148 Ca 0.06 1.60 -0.13 0.00 0.00 0.00 0.00 61.98 63.52 1ae5 s VAL 148 Cb -0.07 -4.03 0.12 0.00 0.00 0.00 0.00 36.38 32.40 1ae5 s VAL 148 CO -0.01 0.05 1.21 0.42 0.00 0.00 0.00 175.10 176.78 1ae5 s THR 149 N 1.72 2.02 0.42 3.92 -4.23 -0.68 0.19 115.64 119.01 1ae5 s THR 149 Ca 0.56 -0.03 -0.23 0.00 -1.18 0.00 0.00 61.69 60.81 1ae5 s THR 149 Cb -0.26 -2.99 -0.09 0.00 1.34 0.00 0.00 72.50 70.50 1ae5 s THR 149 CO 0.25 0.00 1.02 -2.84 -0.54 0.00 0.00 174.62 172.51 1ae5 s PRO 150 N -5.65 4.11 0.34 3.99 0.02 -1.26 -4.41 135.00 132.13 1ae5 s PRO 150 Ca 0.66 1.40 0.08 0.00 0.02 0.00 0.00 61.00 63.16 1ae5 s PRO 150 Cb -0.08 -2.39 0.80 0.00 0.02 0.00 0.00 34.50 32.85 1ae5 s PRO 150 CO 0.50 -0.17 1.83 0.93 -0.33 0.00 0.00 177.00 179.76 1ae5 h GLU 151 N 2.21 0.69 0.00 5.54 5.08 -1.96 0.24 114.58 126.38 1ae5 h GLU 151 Ca -0.49 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 57.83 1ae5 h GLU 151 Cb 1.21 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.30 1ae5 h GLU 151 CO 0.61 0.46 -0.03 0.38 -1.00 0.00 0.00 179.01 179.43 1ae5 h ASP 152 N 0.71 0.00 1.10 1.42 2.03 -1.99 0.17 116.42 119.86 1ae5 h ASP 152 Ca 0.51 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.81 1ae5 h ASP 152 Cb 0.84 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.34 1ae5 h ASP 152 CO -0.27 0.03 -0.33 0.00 -1.03 0.00 0.00 179.24 177.64 1ae5 n GLN 153 N -3.54 0.24 -0.84 4.15 1.13 0.83 -4.90 117.38 114.46 1ae5 n GLN 153 Ca -0.02 0.13 0.00 0.00 -1.94 0.00 0.00 57.00 55.16 1ae5 n GLN 153 Cb 0.13 -1.71 0.00 0.00 0.11 0.00 0.00 30.24 28.77 1ae5 n GLN 153 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ae5 s ARG 155 N -0.17 1.09 0.31 0.00 1.70 -1.26 -4.96 118.95 115.65 1ae5 s ARG 155 Ca 0.00 -1.30 0.03 0.00 -0.47 0.00 0.00 55.73 53.99 1ae5 s ARG 155 Cb 0.00 -0.98 0.62 0.00 -0.57 0.00 0.00 34.95 34.02 1ae5 s ARG 155 CO 0.00 0.19 1.87 -1.35 -1.08 0.00 0.00 175.30 174.92 1ae5 h PRO 156 N 3.38 0.90 0.00 3.89 0.11 -2.02 -2.01 132.00 136.25 1ae5 h PRO 156 Ca -0.40 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1ae5 h PRO 156 Cb 1.20 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1ae5 h PRO 156 CO 0.52 0.59 0.00 -0.97 -0.21 0.00 0.00 178.00 177.93 1ae5 h ASN 157 N 0.92 0.00 -1.95 -2.05 -0.00 -1.97 -3.45 115.58 107.08 1ae5 h ASN 157 Ca 0.45 0.00 -0.59 0.00 -0.00 0.00 0.00 56.30 56.16 1ae5 h ASN 157 Cb 0.47 0.00 -0.13 0.00 -0.00 0.00 0.00 38.32 38.65 1ae5 h ASN 157 CO -0.21 0.00 -0.57 0.20 -0.00 0.00 0.00 177.43 176.85 1ae5 s ASN 158 N -4.69 3.40 -0.11 1.15 0.01 -0.76 -1.10 114.94 112.84 1ae5 s ASN 158 Ca -0.01 -1.50 0.03 0.00 -0.71 0.00 0.00 52.86 50.68 1ae5 s ASN 158 Cb 0.09 0.07 0.01 0.00 0.41 0.00 0.00 41.25 41.83 1ae5 s ASN 158 CO 0.37 -0.67 -0.20 -0.69 -1.51 0.00 0.00 177.10 174.39 1ae5 s VAL 159 N -2.98 1.84 0.12 1.60 1.01 0.22 -4.65 120.40 117.56 1ae5 s VAL 159 Ca 0.26 -0.87 0.07 0.00 0.00 0.00 0.00 61.98 61.44 1ae5 s VAL 159 Cb 0.06 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 1ae5 s VAL 159 CO 0.13 0.51 -0.08 0.00 0.00 0.00 0.00 175.10 175.66 1ae5 s THR 161 N -1.32 0.09 0.27 0.00 -4.23 -0.77 -1.68 115.64 107.99 1ae5 s THR 161 Ca 0.23 -1.98 -0.19 0.00 -1.18 0.00 0.00 61.69 58.57 1ae5 s THR 161 Cb -0.11 -2.41 0.01 0.00 1.34 0.00 0.00 72.50 71.34 1ae5 s THR 161 CO 0.15 -0.11 0.64 -0.83 -0.54 0.00 0.00 174.62 173.94 1ae5 s GLY 162 N -3.15 0.09 -0.07 3.99 0.00 -0.22 -1.32 107.32 106.65 1ae5 s GLY 162 Ca 0.35 -0.47 0.02 0.00 0.00 0.00 0.00 44.72 44.63 1ae5 s GLY 162 CO 0.10 -0.25 -0.11 -1.34 0.00 0.00 0.00 173.10 171.49 1ae5 s VAL 163 N -3.95 3.29 0.40 1.40 -7.23 -1.26 -0.01 120.40 113.05 1ae5 s VAL 163 Ca 0.14 -0.63 0.09 0.00 -1.81 0.00 0.00 61.98 59.77 1ae5 s VAL 163 Cb -0.04 -2.32 0.20 0.00 0.56 0.00 0.00 36.38 34.77 1ae5 s VAL 163 CO 0.07 0.58 1.97 -0.07 -0.31 0.00 0.00 175.10 177.35 1ae5 h LEU 164 N 5.49 0.30 0.00 1.32 4.07 -1.98 -3.42 115.31 121.10 1ae5 h LEU 164 Ca -0.45 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.47 1ae5 h LEU 164 Cb 1.17 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.83 1ae5 h LEU 164 CO 0.52 0.35 0.00 0.35 -1.08 0.00 0.00 178.44 178.58 1ae5 n THR 165 N -4.36 0.00 0.00 0.22 -2.24 -1.26 -5.05 114.28 101.59 1ae5 n THR 165 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ae5 n THR 165 Cb 0.19 -0.98 0.00 0.00 -2.10 0.00 0.00 70.33 67.44 1ae5 n THR 165 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1ae5 n ARG 166 N 0.00 0.00 -3.56 -0.78 5.12 -1.26 -4.88 116.66 111.30 1ae5 n ARG 166 Ca 0.00 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.56 1ae5 n ARG 166 Cb 0.00 -0.16 -0.07 0.00 -1.16 0.00 0.00 32.46 31.07 1ae5 n ARG 166 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1ae5 s ARG 167 N 0.00 4.21 -0.26 5.56 1.81 -1.26 -4.64 118.95 124.37 1ae5 s ARG 167 Ca 0.00 0.08 -0.28 0.00 -1.72 0.00 0.00 55.73 53.81 1ae5 s ARG 167 Cb 0.00 -3.41 0.17 0.00 -0.45 0.00 0.00 34.95 31.26 1ae5 s ARG 167 CO 0.00 0.28 1.25 0.20 -0.68 0.00 0.00 175.30 176.35 1ae5 s GLY 168 N 0.35 0.04 0.00 -3.53 0.00 -1.15 -4.00 107.32 99.02 1ae5 s GLY 168 Ca 0.16 2.78 0.00 0.00 0.00 0.00 0.00 44.72 47.66 1ae5 s GLY 168 CO 0.04 1.36 0.00 0.61 0.00 0.00 0.00 173.10 175.11 1ae5 n GLY 169 N 1.00 0.69 3.86 0.20 0.00 -0.74 -3.66 105.19 106.53 1ae5 n GLY 169 Ca -0.06 -2.11 -0.31 0.00 0.00 0.00 0.00 46.02 43.53 1ae5 n GLY 169 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ae5 s ILE 170 N -1.03 4.60 0.27 -0.61 -4.36 -1.26 0.91 121.20 119.72 1ae5 s ILE 170 Ca 0.00 1.01 -0.04 0.00 -0.26 0.00 0.00 60.65 61.36 1ae5 s ILE 170 Cb 0.00 -3.79 0.02 0.00 1.25 0.00 0.00 42.46 39.94 1ae5 s ILE 170 CO 0.00 -0.94 0.42 0.00 0.24 0.00 0.00 174.94 174.66 1ae5 n ASN 172 N -1.66 0.66 0.00 0.00 4.13 -1.26 -0.99 115.26 116.14 1ae5 n ASN 172 Ca -0.01 1.14 0.00 0.00 1.68 0.00 0.00 54.58 57.39 1ae5 n ASN 172 Cb 0.43 -1.04 0.00 0.00 -1.54 0.00 0.00 39.78 37.64 1ae5 n ASN 172 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ae5 n GLY 173 N 1.93 2.43 0.25 7.41 0.00 -1.26 -0.57 105.19 115.38 1ae5 n GLY 173 Ca 0.19 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.35 1ae5 n GLY 173 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ae5 n ASP 174 N 0.00 0.91 -4.69 1.61 8.00 -0.16 -3.70 116.55 118.52 1ae5 n ASP 174 Ca 0.00 -0.98 -0.44 0.00 0.71 0.00 0.00 54.79 54.08 1ae5 n ASP 174 Cb 0.00 0.02 -0.02 0.00 -0.02 0.00 0.00 41.12 41.10 1ae5 n ASP 174 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ae5 n GLY 175 N 1.25 0.99 3.07 0.44 0.00 -1.26 -1.46 105.19 108.21 1ae5 n GLY 175 Ca 0.16 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.68 1ae5 n GLY 175 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ae5 n GLY 176 N 2.33 1.69 3.80 -0.02 0.00 -0.18 -0.65 105.19 112.16 1ae5 n GLY 176 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 1ae5 n GLY 176 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ae5 s THR 177 N -3.48 3.71 0.35 2.61 -1.32 -0.53 -3.49 115.64 113.49 1ae5 s THR 177 Ca 0.00 0.85 -0.12 0.00 -1.21 0.00 0.00 61.69 61.21 1ae5 s THR 177 Cb 0.00 -3.36 -0.08 0.00 -1.51 0.00 0.00 72.50 67.56 1ae5 s THR 177 CO 0.00 -0.44 0.73 -2.16 -2.21 0.00 0.00 174.62 170.54 1ae5 s PRO 178 N -3.93 3.87 -0.23 7.08 0.04 -1.26 0.16 135.00 140.73 1ae5 s PRO 178 Ca 0.65 0.52 -0.09 0.00 0.04 0.00 0.00 61.00 62.12 1ae5 s PRO 178 Cb -0.17 -2.44 -0.04 0.00 0.04 0.00 0.00 34.50 31.89 1ae5 s PRO 178 CO 0.35 0.08 0.11 -1.17 0.04 0.00 0.00 177.00 176.41 1ae5 s LEU 179 N -3.39 3.83 -0.18 -3.56 2.96 -0.44 -4.42 118.68 113.47 1ae5 s LEU 179 Ca 0.52 -0.00 -0.01 0.00 -0.22 0.00 0.00 54.13 54.42 1ae5 s LEU 179 Cb -0.10 -2.01 0.00 0.00 0.50 0.00 0.00 46.19 44.57 1ae5 s LEU 179 CO 0.25 0.05 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.51 1ae5 s VAL 180 N 1.10 2.76 -0.08 1.68 1.01 -0.46 -1.88 120.40 124.54 1ae5 s VAL 180 Ca 0.06 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.34 1ae5 s VAL 180 Cb -0.14 -2.20 0.02 0.00 0.00 0.00 0.00 36.38 34.06 1ae5 s VAL 180 CO 0.04 0.49 -0.10 0.00 0.00 0.00 0.00 175.10 175.53 1ae5 n GLU 182 N 4.17 -5.11 -0.96 0.00 1.02 -1.26 -1.70 120.64 116.81 1ae5 n GLU 182 Ca -0.20 0.57 0.00 0.00 -0.02 0.00 0.00 57.16 57.51 1ae5 n GLU 182 Cb 0.51 -5.35 0.00 0.00 -0.02 0.00 0.00 31.44 26.58 1ae5 n GLU 182 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ae5 n GLY 183 N -1.67 0.86 3.36 0.62 0.00 -1.26 -5.00 105.19 102.10 1ae5 n GLY 183 Ca -0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 1ae5 n GLY 183 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ae5 s LEU 184 N 0.00 2.43 -1.04 0.99 1.43 -0.69 -4.52 118.68 117.29 1ae5 s LEU 184 Ca 0.00 -0.86 -0.23 0.00 -1.03 0.00 0.00 54.13 52.02 1ae5 s LEU 184 Cb 0.00 -0.93 0.04 0.00 0.03 0.00 0.00 46.19 45.33 1ae5 s LEU 184 CO 0.00 0.02 1.56 0.00 0.23 0.00 0.00 176.35 178.16 1ae5 s ALA 185 N -1.90 2.62 -0.76 4.21 0.00 -0.84 -1.09 121.76 124.00 1ae5 s ALA 185 Ca 0.17 -2.24 0.25 0.00 0.00 0.00 0.00 51.96 50.14 1ae5 s ALA 185 Cb -0.07 -4.55 0.59 0.00 0.00 0.00 0.00 23.12 19.09 1ae5 s ALA 185 CO 0.07 -3.78 1.52 0.72 0.00 0.00 0.00 175.76 174.30 1ae5 n HIS 186 N 9.64 0.52 -3.85 0.00 8.25 -0.79 -4.42 115.22 124.57 1ae5 n HIS 186 Ca 0.36 0.15 -0.09 0.00 -0.26 0.00 0.00 57.72 57.88 1ae5 n HIS 186 Cb 0.50 -0.66 -0.05 0.00 1.12 0.00 0.00 29.99 30.90 1ae5 n HIS 186 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1ae5 s GLY 187 N -3.47 0.18 -0.13 -1.41 0.00 -1.10 -1.86 107.32 99.54 1ae5 s GLY 187 Ca 0.09 -0.53 0.01 0.00 0.00 0.00 0.00 44.72 44.29 1ae5 s GLY 187 CO 0.66 -0.48 -0.14 0.14 0.00 0.00 0.00 173.10 173.28 1ae5 s VAL 188 N -3.93 1.47 0.03 1.40 1.01 -0.98 -1.32 120.40 118.09 1ae5 s VAL 188 Ca 0.14 -0.60 -0.33 0.00 0.00 0.00 0.00 61.98 61.20 1ae5 s VAL 188 Cb 0.00 -1.38 -0.11 0.00 0.00 0.00 0.00 36.38 34.89 1ae5 s VAL 188 CO 0.00 0.44 1.84 0.00 0.00 0.00 0.00 175.10 177.39 1ae5 n ALA 189 N 4.54 1.44 -0.03 5.51 0.00 0.12 -0.82 120.51 131.28 1ae5 n ALA 189 Ca -0.17 0.30 -0.04 0.00 0.00 0.00 0.00 53.44 53.53 1ae5 n ALA 189 Cb 0.51 -2.54 -0.01 0.00 0.00 0.00 0.00 19.45 17.40 1ae5 n ALA 189 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ae5 n SER 190 N 6.05 1.07 -3.48 0.00 2.88 0.61 -1.01 113.62 119.75 1ae5 n SER 190 Ca 0.20 0.17 -0.06 0.00 -1.33 0.00 0.00 58.87 57.86 1ae5 n SER 190 Cb 0.34 -0.50 0.00 0.00 -0.75 0.00 0.00 64.21 63.30 1ae5 n SER 190 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1ae5 s PHE 191 N -2.03 -0.04 -0.04 0.66 -0.12 -0.97 -4.88 117.98 110.56 1ae5 s PHE 191 Ca -0.12 -0.42 -0.20 0.00 -0.05 0.00 0.00 56.93 56.14 1ae5 s PHE 191 Cb 0.02 0.72 0.04 0.00 -0.63 0.00 0.00 43.02 43.17 1ae5 s PHE 191 CO 0.18 -1.14 0.44 -1.54 -0.05 0.00 0.00 175.22 173.11 1ae5 s SER 192 N -3.07 -0.36 -0.22 1.98 1.04 -1.26 -0.33 113.70 111.48 1ae5 s SER 192 Ca 0.15 0.35 -0.11 0.00 0.48 0.00 0.00 55.95 56.81 1ae5 s SER 192 Cb -0.04 0.43 -0.05 0.00 0.10 0.00 0.00 66.02 66.47 1ae5 s SER 192 CO 0.06 -0.48 0.19 -1.48 0.98 0.00 0.00 173.24 172.51 1ae5 s LEU 193 N -1.16 4.16 0.00 2.42 0.05 -1.26 -4.95 118.68 117.94 1ae5 s LEU 193 Ca -0.12 0.22 0.00 0.00 0.05 0.00 0.00 54.13 54.28 1ae5 s LEU 193 Cb -0.03 -2.16 0.00 0.00 -2.05 0.00 0.00 46.19 41.94 1ae5 s LEU 193 CO 0.06 0.09 0.00 0.61 -0.55 0.00 0.00 176.35 176.55 1ae5 n GLY 194 N 3.95 -2.00 0.99 -3.48 0.00 -1.26 -4.40 105.19 98.98 1ae5 n GLY 194 Ca -0.14 -1.31 -0.17 0.00 0.00 0.00 0.00 46.02 44.39 1ae5 n GLY 194 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ae5 n PRO 195 N -2.58 0.00 -1.56 1.61 -0.04 -1.26 -4.75 135.00 126.41 1ae5 n PRO 195 Ca 0.00 0.00 -0.49 0.00 -0.04 0.00 0.00 63.50 62.98 1ae5 n PRO 195 Cb 0.32 -0.41 -0.04 0.00 -0.04 0.00 0.00 33.50 33.33 1ae5 n PRO 195 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ae5 n GLY 197 N 1.86 2.92 0.22 0.00 0.00 -1.24 -4.78 105.19 104.17 1ae5 n GLY 197 Ca 0.15 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.08 1ae5 n GLY 197 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1ae5 h ARG 198 N 0.81 -0.53 0.00 1.61 2.43 -1.17 -3.06 114.38 114.48 1ae5 h ARG 198 Ca 0.00 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1ae5 h ARG 198 Cb 0.00 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1ae5 h ARG 198 CO 0.00 -0.35 0.00 0.41 -1.51 0.00 0.00 179.97 178.52 1ae5 n GLY 199 N -0.91 0.58 3.94 2.80 0.00 -1.26 -4.94 105.19 105.40 1ae5 n GLY 199 Ca -0.07 -1.87 -0.24 0.00 0.00 0.00 0.00 46.02 43.84 1ae5 n GLY 199 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ae5 s PRO 200 N -2.09 2.47 0.02 1.61 0.04 -1.26 -4.76 135.00 131.02 1ae5 s PRO 200 Ca 0.00 -0.38 -0.13 0.00 0.04 0.00 0.00 61.00 60.53 1ae5 s PRO 200 Cb 0.00 -2.30 -0.06 0.00 0.04 0.00 0.00 34.50 32.18 1ae5 s PRO 200 CO 0.00 -0.94 0.39 -0.51 0.04 0.00 0.00 177.00 175.98 1ae5 s ASP 201 N -4.44 6.73 -0.24 6.66 1.01 -0.43 -4.00 116.67 121.96 1ae5 s ASP 201 Ca 0.58 0.88 -0.07 0.00 0.71 0.00 0.00 52.55 54.65 1ae5 s ASP 201 Cb -0.11 -2.22 -0.03 0.00 1.01 0.00 0.00 42.92 41.58 1ae5 s ASP 201 CO 0.43 0.29 0.06 -0.36 0.21 0.00 0.00 175.17 175.79 1ae5 s PHE 202 N -1.17 3.08 -0.02 4.23 0.40 0.55 -1.85 117.98 123.20 1ae5 s PHE 202 Ca 0.26 -0.45 0.08 0.00 -0.60 0.00 0.00 56.93 56.21 1ae5 s PHE 202 Cb -0.16 -2.21 -0.02 0.00 0.51 0.00 0.00 43.02 41.14 1ae5 s PHE 202 CO 0.14 -0.35 -0.26 -0.06 0.70 0.00 0.00 175.22 175.39 1ae5 s PHE 203 N 1.53 2.32 0.28 0.36 0.40 0.04 -0.28 117.98 122.63 1ae5 s PHE 203 Ca 0.06 -0.45 -0.30 0.00 -0.60 0.00 0.00 56.93 55.64 1ae5 s PHE 203 Cb -0.15 -1.50 -0.10 0.00 0.51 0.00 0.00 43.02 41.78 1ae5 s PHE 203 CO 0.03 -0.05 1.45 0.99 0.70 0.00 0.00 175.22 178.34 1ae5 s THR 204 N -0.59 2.54 -0.77 0.64 2.01 -0.00 0.71 115.64 120.18 1ae5 s THR 204 Ca 0.09 0.47 -0.26 0.00 0.31 0.00 0.00 61.69 62.31 1ae5 s THR 204 Cb -0.10 -3.30 0.02 0.00 0.01 0.00 0.00 72.50 69.12 1ae5 s THR 204 CO -0.01 0.08 1.49 -0.60 -0.69 0.00 0.00 174.62 174.89 1ae5 s ARG 205 N -0.72 3.08 0.19 4.92 3.52 -0.26 -2.31 118.95 127.37 1ae5 s ARG 205 Ca 0.58 -0.19 -0.12 0.00 -0.13 0.00 0.00 55.73 55.87 1ae5 s ARG 205 Cb -0.43 -4.48 0.21 0.00 -1.56 0.00 0.00 34.95 28.69 1ae5 s ARG 205 CO 0.47 -2.38 1.72 0.28 -0.81 0.00 0.00 175.30 174.58 1ae5 h VAL 206 N 6.44 0.73 -0.18 7.11 2.07 -1.64 -2.58 116.25 128.20 1ae5 h VAL 206 Ca -0.17 -0.10 0.05 0.00 0.82 0.00 0.00 66.70 67.31 1ae5 h VAL 206 Cb 1.07 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1ae5 h VAL 206 CO 1.29 0.05 0.34 0.00 0.02 0.00 0.00 177.57 179.27 1ae5 h ALA 207 N 1.40 1.68 0.00 1.67 0.00 -1.84 0.43 119.26 122.59 1ae5 h ALA 207 Ca 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1ae5 h ALA 207 Cb 0.35 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1ae5 h ALA 207 CO -0.32 -0.43 0.00 1.28 0.00 0.00 0.00 179.25 179.78 1ae5 n LEU 208 N -3.34 0.61 -0.42 0.00 4.77 -0.97 -0.15 117.00 117.50 1ae5 n LEU 208 Ca 0.02 0.61 0.04 0.00 -0.03 0.00 0.00 56.01 56.65 1ae5 n LEU 208 Cb 0.45 -0.48 0.07 0.00 -2.33 0.00 0.00 43.42 41.13 1ae5 n LEU 208 CO 0.21 -0.36 0.48 0.49 -1.33 0.00 0.00 177.39 176.88 1ae5 n PHE 209 N -2.13 0.16 -0.26 -1.77 3.01 0.15 -4.80 117.46 111.82 1ae5 n PHE 209 Ca 0.04 -0.21 -0.03 0.00 1.01 0.00 0.00 57.45 58.26 1ae5 n PHE 209 Cb 0.30 -0.01 0.03 0.00 -0.01 0.00 0.00 39.48 39.79 1ae5 n PHE 209 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 1ae5 h ARG 210 N 1.70 -0.09 0.05 -1.08 9.65 -1.60 0.65 114.38 123.67 1ae5 h ARG 210 Ca 0.00 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 1ae5 h ARG 210 Cb 0.51 0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 29.10 1ae5 h ARG 210 CO 0.00 -0.06 -0.04 -0.44 2.80 0.00 0.00 179.97 182.23 1ae5 h ASP 211 N -0.09 -0.11 -0.91 -3.80 3.32 -1.88 0.07 116.42 113.03 1ae5 h ASP 211 Ca 0.29 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.35 1ae5 h ASP 211 Cb 0.57 0.04 -0.04 0.00 0.22 0.00 0.00 39.33 40.11 1ae5 h ASP 211 CO -0.78 -0.07 0.58 -0.25 -1.72 0.00 0.00 179.24 177.00 1ae5 h TRP 212 N -0.10 1.17 -0.32 4.55 7.01 -1.74 -0.22 115.95 126.30 1ae5 h TRP 212 Ca 0.00 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.00 1ae5 h TRP 212 Cb 0.09 -0.39 -0.01 0.00 -2.10 0.00 0.00 29.16 26.75 1ae5 h TRP 212 CO -0.09 0.76 0.15 0.82 -2.79 0.00 0.00 178.44 177.28 1ae5 h ILE 213 N 1.24 1.16 -0.69 2.65 2.04 -0.43 -1.81 117.51 121.68 1ae5 h ILE 213 Ca 0.33 -0.48 0.04 0.00 1.00 0.00 0.00 64.86 65.76 1ae5 h ILE 213 Cb -0.10 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 36.82 1ae5 h ILE 213 CO -0.07 0.17 0.45 0.44 0.00 0.00 0.00 178.15 179.15 1ae5 h ASP 214 N 0.39 0.68 -0.44 1.72 3.32 -0.30 0.12 116.42 121.91 1ae5 h ASP 214 Ca 0.11 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.10 1ae5 h ASP 214 Cb 0.13 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 1ae5 h ASP 214 CO -0.01 0.46 0.07 1.23 -1.72 0.00 0.00 179.24 179.26 1ae5 h GLY 215 N 0.78 0.87 0.61 2.75 0.00 -0.41 -0.96 103.07 106.72 1ae5 h GLY 215 Ca 0.28 -0.54 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 1ae5 h GLY 215 CO -0.08 0.50 -0.06 -2.08 0.00 0.00 0.00 176.54 174.82 1ae5 h VAL 216 N 0.77 1.37 -0.98 4.60 2.07 -0.10 -1.79 116.25 122.18 1ae5 h VAL 216 Ca 0.16 -1.20 0.15 0.00 0.82 0.00 0.00 66.70 66.63 1ae5 h VAL 216 Cb 0.37 2.03 -0.10 0.00 -1.52 0.00 0.00 31.29 32.08 1ae5 h VAL 216 CO 0.01 0.33 0.59 -0.07 0.02 0.00 0.00 177.57 178.45 1ae5 h LEU 217 N -0.29 0.80 0.00 2.57 3.38 -0.62 0.04 115.31 121.19 1ae5 h LEU 217 Ca 0.01 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1ae5 h LEU 217 Cb 0.56 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1ae5 h LEU 217 CO 0.01 0.36 0.00 0.59 0.09 0.00 0.00 178.44 179.49 1ae5 n ASN 218 N -4.72 0.00 -3.51 -0.43 4.13 -0.39 -4.21 115.26 106.13 1ae5 n ASN 218 Ca 0.20 0.47 -0.28 0.00 1.68 0.00 0.00 54.58 56.65 1ae5 n ASN 218 Cb 0.46 -0.49 -0.11 0.00 -1.54 0.00 0.00 39.78 38.09 1ae5 n ASN 218 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 1ae5 s ASN 219 N -2.98 2.53 0.66 6.41 0.01 -0.00 -5.07 114.94 116.49 1ae5 s ASN 219 Ca 0.14 -2.83 -0.06 0.00 -0.71 0.00 0.00 52.86 49.40 1ae5 s ASN 219 Cb 0.18 -0.63 0.04 0.00 0.41 0.00 0.00 41.25 41.25 1ae5 s ASN 219 CO 0.51 -0.22 0.96 -2.84 -1.51 0.00 0.00 177.10 174.00 1ae5 s PRO 220 N 0.24 2.44 0.00 -0.60 0.02 -1.23 -4.76 135.00 131.11 1ae5 s PRO 220 Ca 0.26 -0.22 0.00 0.00 0.02 0.00 0.00 61.00 61.06 1ae5 s PRO 220 Cb -0.09 -2.22 0.00 0.00 0.02 0.00 0.00 34.50 32.21 1ae5 s PRO 220 CO -0.11 -1.04 0.00 0.41 -0.33 0.00 0.00 177.00 175.94 1ae5 n GLY 221 N -2.78 3.03 0.00 0.52 0.00 -1.26 -4.91 105.19 99.80 1ae5 n GLY 221 Ca 0.07 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.94 1ae5 n GLY 221 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ae5 n PRO 222 N 0.70 0.00 0.00 1.61 -0.04 -1.26 -4.88 135.00 131.13 1ae5 n PRO 222 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1ae5 n PRO 222 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1ae5 n PRO 222 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ae5 n GLY 223 N -0.94 -0.89 3.77 0.55 0.00 -1.26 -4.92 105.19 101.50 1ae5 n GLY 223 Ca 0.00 -2.15 -0.40 0.00 0.00 0.00 0.00 46.02 43.46 1ae5 n GLY 223 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1ae5 s PRO 224 N 0.00 3.90 0.00 1.61 0.02 -1.26 -5.27 135.00 134.00 1ae5 s PRO 224 Ca 0.00 2.51 0.00 0.00 0.02 0.00 0.00 61.00 63.53 1ae5 s PRO 224 Cb 0.00 -2.81 0.00 0.00 0.02 0.00 0.00 34.50 31.71 1ae5 s PRO 224 CO 0.00 -0.68 0.34 0.00 -0.33 0.00 0.00 177.00 176.33