#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b3i s SER 2 N 0.00 6.52 0.15 1.61 0.15 -1.26 -3.38 113.70 117.49 3b3i s SER 2 Ca 0.00 0.60 0.03 0.00 0.70 0.00 0.00 55.95 57.28 3b3i s SER 2 Cb 0.00 -2.10 -0.04 0.00 -1.71 0.00 0.00 66.02 62.16 3b3i s SER 2 CO 0.00 0.16 -0.05 -1.00 1.20 0.00 0.00 173.24 173.55 3b3i s HIS 3 N -1.47 1.17 0.04 3.44 0.09 -0.58 -4.99 115.29 112.99 3b3i s HIS 3 Ca 0.34 -0.91 0.02 0.00 -0.00 0.00 0.00 55.06 54.52 3b3i s HIS 3 Cb -0.13 -0.65 -0.02 0.00 -0.00 0.00 0.00 32.58 31.78 3b3i s HIS 3 CO 0.20 -0.10 -0.08 -1.54 -0.00 0.00 0.00 174.74 173.23 3b3i s SER 4 N -3.15 0.86 -0.05 1.40 1.04 -1.26 -0.63 113.70 111.91 3b3i s SER 4 Ca 0.19 -0.53 0.04 0.00 0.48 0.00 0.00 55.95 56.13 3b3i s SER 4 Cb 0.05 0.03 -0.00 0.00 0.10 0.00 0.00 66.02 66.20 3b3i s SER 4 CO 0.01 -0.19 -0.17 -0.32 0.98 0.00 0.00 173.24 173.55 3b3i s MET 5 N -1.51 1.94 -0.01 4.02 1.75 -0.23 -0.51 119.30 124.75 3b3i s MET 5 Ca -0.09 -0.62 0.01 0.00 -1.25 0.00 0.00 55.69 53.75 3b3i s MET 5 Cb -0.10 -1.63 0.00 0.00 2.84 0.00 0.00 34.83 35.94 3b3i s MET 5 CO 0.00 0.20 -0.04 1.03 -0.65 0.00 0.00 175.02 175.57 3b3i s ARG 6 N 0.17 0.42 -0.17 4.11 1.81 -0.40 -1.44 118.95 123.45 3b3i s ARG 6 Ca -0.07 -0.14 -0.02 0.00 -1.72 0.00 0.00 55.73 53.78 3b3i s ARG 6 Cb -0.13 -0.43 -0.01 0.00 -0.45 0.00 0.00 34.95 33.93 3b3i s ARG 6 CO 0.03 0.06 -0.09 0.71 -0.68 0.00 0.00 175.30 175.34 3b3i s TYR 7 N 0.10 2.89 -0.06 -0.53 2.02 -0.19 -0.74 117.35 120.85 3b3i s TYR 7 Ca -0.01 -0.79 0.01 0.00 -0.37 0.00 0.00 57.07 55.91 3b3i s TYR 7 Cb -0.04 -1.97 -0.03 0.00 -0.40 0.00 0.00 41.96 39.52 3b3i s TYR 7 CO -0.00 -0.36 -0.06 -0.06 -1.57 0.00 0.00 175.55 173.50 3b3i s PHE 8 N 0.87 2.97 -0.02 2.71 0.08 -0.39 -1.74 117.98 122.46 3b3i s PHE 8 Ca -0.02 0.04 0.01 0.00 0.12 0.00 0.00 56.93 57.08 3b3i s PHE 8 Cb -0.15 -1.71 0.01 0.00 -0.57 0.00 0.00 43.02 40.60 3b3i s PHE 8 CO 0.01 0.36 -0.03 -1.01 -0.10 0.00 0.00 175.22 174.45 3b3i s HIS 9 N -0.85 0.40 -0.06 0.36 3.76 0.29 -1.81 115.29 117.38 3b3i s HIS 9 Ca 0.13 -0.07 -0.01 0.00 -0.15 0.00 0.00 55.06 54.97 3b3i s HIS 9 Cb -0.11 -0.34 0.03 0.00 1.11 0.00 0.00 32.58 33.26 3b3i s HIS 9 CO 0.02 -0.07 -0.01 0.99 -0.85 0.00 0.00 174.74 174.83 3b3i s THR 10 N 0.37 0.39 -0.09 1.30 2.01 -0.29 -1.69 115.64 117.63 3b3i s THR 10 Ca -0.04 0.07 0.01 0.00 0.31 0.00 0.00 61.69 62.05 3b3i s THR 10 Cb -0.07 -0.51 -0.02 0.00 0.01 0.00 0.00 72.50 71.91 3b3i s THR 10 CO -0.01 0.24 -0.13 -0.44 -0.69 0.00 0.00 174.62 173.60 3b3i s SER 11 N 1.69 4.06 -0.17 3.53 0.01 -0.42 -1.24 113.70 121.16 3b3i s SER 11 Ca 0.01 -0.26 -0.00 0.00 1.31 0.00 0.00 55.95 57.01 3b3i s SER 11 Cb -0.13 -1.28 0.04 0.00 0.21 0.00 0.00 66.02 64.87 3b3i s SER 11 CO -0.04 0.25 -0.05 -0.69 0.41 0.00 0.00 173.24 173.12 3b3i s VAL 12 N -0.15 1.12 0.58 3.43 1.01 -0.48 -1.06 120.40 124.86 3b3i s VAL 12 Ca -0.01 -0.68 -0.17 0.00 0.00 0.00 0.00 61.98 61.13 3b3i s VAL 12 Cb -0.13 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 3b3i s VAL 12 CO 0.03 0.10 1.07 -0.94 0.00 0.00 0.00 175.10 175.36 3b3i s SER 13 N 1.62 5.74 -0.44 3.32 1.04 -0.25 -1.83 113.70 122.90 3b3i s SER 13 Ca 0.00 1.92 0.07 0.00 0.48 0.00 0.00 55.95 58.42 3b3i s SER 13 Cb -0.16 -2.55 0.26 0.00 0.10 0.00 0.00 66.02 63.68 3b3i s SER 13 CO -0.08 -1.20 0.77 -2.11 0.98 0.00 0.00 173.24 171.61 3b3i n ARG 14 N -1.83 0.80 -1.65 4.02 1.85 -1.26 -4.00 116.66 114.59 3b3i n ARG 14 Ca 0.09 -2.41 -0.47 0.00 -1.00 0.00 0.00 57.85 54.06 3b3i n ARG 14 Cb 0.52 -1.35 -0.04 0.00 -1.05 0.00 0.00 32.46 30.54 3b3i n ARG 14 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 3b3i n PRO 15 N 1.32 1.82 -0.13 2.89 -0.02 -1.26 -0.72 135.00 138.89 3b3i n PRO 15 Ca 0.14 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 3b3i n PRO 15 Cb 0.60 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 3b3i n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3b3i n GLY 16 N 2.62 1.12 2.37 -1.23 0.00 -1.26 -4.88 105.19 103.93 3b3i n GLY 16 Ca 0.15 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.03 3b3i n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3b3i n ARG 17 N -2.00 2.82 0.00 1.61 1.74 0.10 -5.11 116.66 115.82 3b3i n ARG 17 Ca 0.00 -3.89 0.00 0.00 -0.77 0.00 0.00 57.85 53.19 3b3i n ARG 17 Cb 0.00 -1.99 0.00 0.00 -1.02 0.00 0.00 32.46 29.45 3b3i n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3b3i n GLY 18 N -0.65 -1.60 3.86 -0.13 0.00 -1.26 -4.91 105.19 100.50 3b3i n GLY 18 Ca 0.28 -1.44 -0.31 0.00 0.00 0.00 0.00 46.02 44.55 3b3i n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3b3i s GLU 19 N 0.00 3.72 0.22 1.61 0.41 -1.26 -4.61 118.70 118.79 3b3i s GLU 19 Ca 0.00 0.79 -0.32 0.00 -0.41 0.00 0.00 54.97 55.03 3b3i s GLU 19 Cb 0.00 -2.12 -0.13 0.00 -1.78 0.00 0.00 34.13 30.09 3b3i s GLU 19 CO 0.00 -0.43 1.50 -2.30 -0.49 0.00 0.00 175.26 173.53 3b3i n PRO 20 N -2.28 2.16 -2.17 0.39 -0.02 -1.26 -4.74 135.00 127.07 3b3i n PRO 20 Ca 0.06 0.77 -0.42 0.00 -2.02 0.00 0.00 63.50 61.90 3b3i n PRO 20 Cb 0.54 -2.49 -0.03 0.00 -0.02 0.00 0.00 33.50 31.50 3b3i n PRO 20 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3b3i s ARG 21 N 0.10 4.35 -0.18 -0.52 3.52 -0.76 -4.77 118.95 120.70 3b3i s ARG 21 Ca 0.72 2.10 0.00 0.00 -0.13 0.00 0.00 55.73 58.42 3b3i s ARG 21 Cb -0.64 -3.20 0.01 0.00 -1.56 0.00 0.00 34.95 29.57 3b3i s ARG 21 CO 0.45 -0.33 -0.17 0.12 -0.81 0.00 0.00 175.30 174.56 3b3i s PHE 22 N 0.36 2.79 -0.08 5.12 5.36 -1.26 -1.38 117.98 128.90 3b3i s PHE 22 Ca 0.59 -1.44 0.02 0.00 -0.96 0.00 0.00 56.93 55.14 3b3i s PHE 22 Cb -0.37 -1.93 0.02 0.00 -0.34 0.00 0.00 43.02 40.39 3b3i s PHE 22 CO 0.37 -0.71 -0.12 0.42 -1.46 0.00 0.00 175.22 173.72 3b3i s ILE 23 N 1.21 1.18 -0.00 3.12 1.01 -0.38 -0.53 121.20 126.81 3b3i s ILE 23 Ca 0.03 -0.47 0.03 0.00 0.00 0.00 0.00 60.65 60.24 3b3i s ILE 23 Cb -0.14 -1.10 -0.01 0.00 0.01 0.00 0.00 42.46 41.22 3b3i s ILE 23 CO -0.09 0.37 -0.10 0.28 0.00 0.00 0.00 174.94 175.40 3b3i s THR 24 N 0.95 0.80 0.05 2.92 -1.32 -0.06 -1.13 115.64 117.85 3b3i s THR 24 Ca -0.09 -0.50 0.04 0.00 -1.21 0.00 0.00 61.69 59.94 3b3i s THR 24 Cb -0.15 -0.68 -0.02 0.00 -1.51 0.00 0.00 72.50 70.13 3b3i s THR 24 CO 0.00 0.18 -0.12 0.68 -2.21 0.00 0.00 174.62 173.15 3b3i s VAL 25 N -0.32 0.95 -0.01 5.08 -7.23 -0.75 -0.59 120.40 117.53 3b3i s VAL 25 Ca 0.03 -1.07 0.07 0.00 -1.81 0.00 0.00 61.98 59.21 3b3i s VAL 25 Cb -0.04 -0.91 -0.02 0.00 0.56 0.00 0.00 36.38 35.97 3b3i s VAL 25 CO -0.00 -0.14 -0.22 -0.83 -0.31 0.00 0.00 175.10 173.60 3b3i s GLY 26 N -1.36 1.40 0.05 2.32 0.00 -0.21 -1.26 107.32 108.27 3b3i s GLY 26 Ca -0.02 -1.12 0.07 0.00 0.00 0.00 0.00 44.72 43.65 3b3i s GLY 26 CO 0.01 -0.95 -0.18 -0.19 0.00 0.00 0.00 173.10 171.79 3b3i s TYR 27 N -0.72 1.60 -0.18 1.90 2.02 0.08 -0.80 117.35 121.24 3b3i s TYR 27 Ca 0.11 -0.37 -0.01 0.00 -0.37 0.00 0.00 57.07 56.42 3b3i s TYR 27 Cb -0.10 -0.94 -0.00 0.00 -0.40 0.00 0.00 41.96 40.51 3b3i s TYR 27 CO 0.01 0.09 -0.11 0.08 -1.57 0.00 0.00 175.55 174.05 3b3i s VAL 28 N -0.88 2.96 0.00 0.71 1.01 -0.43 -1.27 120.40 122.50 3b3i s VAL 28 Ca 0.05 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.38 3b3i s VAL 28 Cb -0.09 -2.29 0.00 0.00 0.00 0.00 0.00 36.38 34.00 3b3i s VAL 28 CO 0.02 0.48 0.00 0.47 0.00 0.00 0.00 175.10 176.07 3b3i n ASP 29 N 4.35 0.00 -1.98 3.32 8.00 0.34 -0.96 116.55 129.62 3b3i n ASP 29 Ca -0.19 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.28 3b3i n ASP 29 Cb 0.51 0.00 0.33 0.00 -0.02 0.00 0.00 41.12 41.94 3b3i n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3b3i n ASP 30 N 3.77 5.01 -4.31 -2.24 8.00 -1.26 -4.89 116.55 120.63 3b3i n ASP 30 Ca 0.00 -3.18 -0.37 0.00 0.71 0.00 0.00 54.79 51.96 3b3i n ASP 30 Cb 0.00 -0.73 -0.13 0.00 -0.02 0.00 0.00 41.12 40.24 3b3i n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3b3i s THR 31 N -2.96 3.74 0.10 -3.53 2.01 -0.13 -5.00 115.64 109.87 3b3i s THR 31 Ca 0.55 -0.81 -0.31 0.00 0.31 0.00 0.00 61.69 61.43 3b3i s THR 31 Cb 0.44 -2.95 -0.08 0.00 0.01 0.00 0.00 72.50 69.92 3b3i s THR 31 CO 0.14 0.07 1.48 -0.22 -0.69 0.00 0.00 174.62 175.40 3b3i s LEU 32 N 1.45 4.36 0.00 4.42 2.96 -1.26 -1.31 118.68 129.30 3b3i s LEU 32 Ca 0.02 2.39 0.00 0.00 -0.22 0.00 0.00 54.13 56.31 3b3i s LEU 32 Cb -0.17 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 42.94 3b3i s LEU 32 CO 0.01 -0.74 0.00 2.22 -1.32 0.00 0.00 176.35 176.52 3b3i n PHE 33 N 4.47 0.00 -3.90 5.38 -1.74 0.02 -4.03 117.46 117.66 3b3i n PHE 33 Ca 0.13 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.92 3b3i n PHE 33 Cb 0.41 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.31 3b3i n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 3b3i s VAL 34 N -1.63 0.10 0.01 1.97 -7.23 -1.21 -0.49 120.40 111.93 3b3i s VAL 34 Ca 0.00 -0.83 -0.08 0.00 -1.81 0.00 0.00 61.98 59.26 3b3i s VAL 34 Cb 0.00 -0.54 0.00 0.00 0.56 0.00 0.00 36.38 36.40 3b3i s VAL 34 CO 0.00 -0.46 0.16 0.00 -0.31 0.00 0.00 175.10 174.49 3b3i s ARG 35 N -1.74 0.53 -0.06 4.82 1.04 -0.78 -1.05 118.95 121.71 3b3i s ARG 35 Ca -0.12 -0.43 -0.02 0.00 -1.04 0.00 0.00 55.73 54.12 3b3i s ARG 35 Cb -0.06 0.22 0.04 0.00 -2.04 0.00 0.00 34.95 33.10 3b3i s ARG 35 CO -0.00 -0.13 0.13 0.12 -0.04 0.00 0.00 175.30 175.37 3b3i s PHE 36 N -1.56 -0.13 -0.11 5.89 2.19 0.24 -0.61 117.98 123.88 3b3i s PHE 36 Ca -0.13 0.42 -0.01 0.00 0.33 0.00 0.00 56.93 57.54 3b3i s PHE 36 Cb -0.06 -0.11 0.03 0.00 -1.31 0.00 0.00 43.02 41.57 3b3i s PHE 36 CO 0.01 -0.15 -0.07 0.34 1.83 0.00 0.00 175.22 177.18 3b3i s ASP 37 N 1.13 2.15 0.57 6.13 -1.08 -1.26 -0.88 116.67 123.44 3b3i s ASP 37 Ca -0.09 -0.30 0.38 0.00 -0.52 0.00 0.00 52.55 52.02 3b3i s ASP 37 Cb -0.12 -0.80 1.89 0.00 -1.46 0.00 0.00 42.92 42.44 3b3i s ASP 37 CO -0.05 -0.13 2.14 0.77 0.52 0.00 0.00 175.17 178.42 3b3i h SER 38 N 8.19 0.00 0.09 -0.34 4.64 -1.21 -1.64 113.55 123.28 3b3i h SER 38 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3b3i h SER 38 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3b3i h SER 38 CO 0.39 0.00 -0.08 0.47 -0.87 0.00 0.00 176.83 176.74 3b3i n ASP 39 N -2.95 1.18 -4.74 4.97 8.00 -1.26 -4.85 116.55 116.91 3b3i n ASP 39 Ca -0.01 -1.22 -0.36 0.00 0.71 0.00 0.00 54.79 53.91 3b3i n ASP 39 Cb 0.15 0.03 0.05 0.00 -0.02 0.00 0.00 41.12 41.33 3b3i n ASP 39 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3b3i s ALA 40 N -2.18 2.44 0.18 2.24 0.00 -0.62 -4.92 121.76 118.90 3b3i s ALA 40 Ca 0.34 1.03 -0.13 0.00 0.00 0.00 0.00 51.96 53.20 3b3i s ALA 40 Cb 0.20 -3.48 0.17 0.00 0.00 0.00 0.00 23.12 20.02 3b3i s ALA 40 CO 0.40 -1.38 1.73 0.00 0.00 0.00 0.00 175.76 176.51 3b3i h ALA 41 N 0.61 0.57 -2.86 0.00 0.00 -1.91 -3.29 119.26 112.37 3b3i h ALA 41 Ca -0.50 0.08 -0.61 0.00 0.00 0.00 0.00 54.91 53.88 3b3i h ALA 41 Cb 1.31 0.09 -0.40 0.00 0.00 0.00 0.00 17.79 18.78 3b3i h ALA 41 CO 0.54 -0.27 -0.74 0.45 0.00 0.00 0.00 179.25 179.23 3b3i s SER 42 N -5.35 3.46 0.05 0.00 0.15 -1.26 -5.10 113.70 105.64 3b3i s SER 42 Ca -0.13 -3.15 -0.30 0.00 0.70 0.00 0.00 55.95 53.07 3b3i s SER 42 Cb 0.15 -1.08 -0.09 0.00 -1.71 0.00 0.00 66.02 63.28 3b3i s SER 42 CO 0.73 -0.18 1.96 -2.65 1.20 0.00 0.00 173.24 174.30 3b3i n PRO 43 N 2.84 2.86 -3.76 5.44 -0.02 -1.24 -4.97 135.00 136.15 3b3i n PRO 43 Ca 0.18 1.05 -0.11 0.00 -2.02 0.00 0.00 63.50 62.60 3b3i n PRO 43 Cb 0.38 -3.00 -0.07 0.00 -0.02 0.00 0.00 33.50 30.79 3b3i n PRO 43 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3b3i s ARG 44 N 4.29 0.83 0.09 -0.52 0.52 -1.26 -5.05 118.95 117.85 3b3i s ARG 44 Ca 0.88 -0.58 -0.31 0.00 -0.52 0.00 0.00 55.73 55.21 3b3i s ARG 44 Cb -0.44 0.35 -0.07 0.00 0.52 0.00 0.00 34.95 35.31 3b3i s ARG 44 CO 0.42 -0.27 1.38 -2.00 0.02 0.00 0.00 175.30 174.84 3b3i s GLU 45 N -2.79 4.32 -0.02 3.54 2.12 -1.26 -4.53 118.70 120.08 3b3i s GLU 45 Ca -0.03 2.04 0.05 0.00 0.36 0.00 0.00 54.97 57.39 3b3i s GLU 45 Cb -0.00 -3.30 -0.03 0.00 0.26 0.00 0.00 34.13 31.06 3b3i s GLU 45 CO -0.05 -0.44 -0.17 -1.21 -0.54 0.00 0.00 175.26 172.85 3b3i s GLU 46 N 1.29 2.32 0.41 4.30 2.02 0.22 -4.91 118.70 124.34 3b3i s GLU 46 Ca 0.64 -0.81 -0.25 0.00 0.02 0.00 0.00 54.97 54.57 3b3i s GLU 46 Cb -0.35 -2.27 -0.08 0.00 0.10 0.00 0.00 34.13 31.52 3b3i s GLU 46 CO 0.30 0.59 1.24 -1.25 0.02 0.00 0.00 175.26 176.16 3b3i s PRO 47 N -0.88 3.96 0.00 0.39 0.04 -1.26 -1.87 135.00 135.38 3b3i s PRO 47 Ca 0.12 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.17 3b3i s PRO 47 Cb -0.10 -2.69 0.00 0.00 0.04 0.00 0.00 34.50 31.74 3b3i s PRO 47 CO 0.01 -0.45 0.36 0.54 0.04 0.00 0.00 177.00 177.50 3b3i n ARG 48 N 0.04 0.00 -4.04 4.56 5.12 0.36 -4.88 116.66 117.83 3b3i n ARG 48 Ca 0.04 -0.41 -0.12 0.00 -1.93 0.00 0.00 57.85 55.43 3b3i n ARG 48 Cb 0.45 -0.73 -0.12 0.00 -1.16 0.00 0.00 32.46 30.90 3b3i n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3b3i s ALA 49 N -0.12 0.39 0.34 7.54 0.00 -1.24 -4.68 121.76 123.99 3b3i s ALA 49 Ca 0.00 -0.63 0.01 0.00 0.00 0.00 0.00 51.96 51.34 3b3i s ALA 49 Cb 0.00 0.06 0.58 0.00 0.00 0.00 0.00 23.12 23.76 3b3i s ALA 49 CO 0.00 -0.05 1.99 -1.00 0.00 0.00 0.00 175.76 176.70 3b3i h PRO 50 N 4.75 0.89 0.00 0.00 0.13 -1.95 -3.03 132.00 132.78 3b3i h PRO 50 Ca -0.33 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 3b3i h PRO 50 Cb 1.20 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.14 3b3i h PRO 50 CO 0.42 0.60 0.00 0.11 -0.23 0.00 0.00 178.00 178.90 3b3i h TRP 51 N 0.92 0.00 0.00 1.56 5.08 -1.97 -2.82 115.95 118.72 3b3i h TRP 51 Ca 0.25 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.22 3b3i h TRP 51 Cb -0.09 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.07 3b3i h TRP 51 CO 0.00 0.00 -0.80 0.97 -1.28 0.00 0.00 178.44 177.33 3b3i h ILE 52 N 0.00 0.00 0.00 0.12 6.09 -1.89 -3.38 117.51 118.46 3b3i h ILE 52 Ca 0.00 -0.77 -0.01 0.00 -1.37 0.00 0.00 64.86 62.70 3b3i h ILE 52 Cb 0.58 1.32 -0.00 0.00 0.47 0.00 0.00 36.82 39.18 3b3i h ILE 52 CO 0.00 0.00 -0.07 -0.33 -3.07 0.00 0.00 178.15 174.68 3b3i h GLU 53 N 0.00 0.00 0.00 2.19 5.08 -1.57 -2.04 114.58 118.23 3b3i h GLU 53 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3b3i h GLU 53 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 3b3i h GLU 53 CO 0.00 0.07 0.00 -0.56 -1.00 0.00 0.00 179.01 177.52 3b3i h GLN 54 N 0.00 0.00 -6.92 2.33 3.07 -1.75 -3.44 115.11 108.40 3b3i h GLN 54 Ca -0.00 0.00 -0.53 0.00 0.09 0.00 0.00 58.65 58.21 3b3i h GLN 54 Cb 0.14 0.00 0.08 0.00 0.08 0.00 0.00 27.48 27.78 3b3i h GLN 54 CO 0.01 0.00 0.66 -1.21 0.09 0.00 0.00 178.83 178.38 3b3i s GLU 55 N -3.44 4.13 0.93 0.06 0.41 -0.77 -4.99 118.70 115.03 3b3i s GLU 55 Ca 0.02 2.27 -0.14 0.00 -0.41 0.00 0.00 54.97 56.70 3b3i s GLU 55 Cb 0.09 -2.91 0.16 0.00 -1.78 0.00 0.00 34.13 29.68 3b3i s GLU 55 CO 0.37 -0.39 1.21 0.20 -0.49 0.00 0.00 175.26 176.15 3b3i s GLY 56 N -0.52 1.65 0.46 -1.39 0.00 -1.26 -4.87 107.32 101.38 3b3i s GLY 56 Ca 0.53 -0.82 0.16 0.00 0.00 0.00 0.00 44.72 44.59 3b3i s GLY 56 CO 0.53 -0.18 2.00 -2.55 0.00 0.00 0.00 173.10 172.90 3b3i h PRO 57 N -1.53 0.30 -0.80 2.90 0.11 -1.98 -2.09 132.00 128.92 3b3i h PRO 57 Ca -0.47 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 3b3i h PRO 57 Cb 1.30 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.30 3b3i h PRO 57 CO 0.53 0.20 0.33 0.93 -0.21 0.00 0.00 178.00 179.78 3b3i h GLU 58 N 0.31 1.19 0.25 1.05 3.07 -1.99 -1.24 114.58 117.23 3b3i h GLU 58 Ca 0.25 -0.21 -0.01 0.00 -0.50 0.00 0.00 59.36 58.89 3b3i h GLU 58 Cb 0.57 -0.20 -0.00 0.00 -0.84 0.00 0.00 28.75 28.28 3b3i h GLU 58 CO -0.06 0.95 -0.15 -0.92 -1.40 0.00 0.00 179.01 177.44 3b3i h TYR 59 N 1.16 -0.38 -0.24 4.33 3.20 -1.74 -2.09 116.97 121.21 3b3i h TYR 59 Ca 0.27 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 62.04 3b3i h TYR 59 Cb 0.20 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 3b3i h TYR 59 CO 0.02 -0.23 -0.25 -1.49 -1.64 0.00 0.00 178.16 174.57 3b3i h TRP 60 N -0.38 0.51 -0.24 -3.82 4.06 -1.36 -1.24 115.95 113.47 3b3i h TRP 60 Ca -0.03 -0.11 -0.02 0.00 2.06 0.00 0.00 58.89 60.79 3b3i h TRP 60 Cb 0.31 -0.13 -0.01 0.00 -1.00 0.00 0.00 29.16 28.34 3b3i h TRP 60 CO -0.08 0.67 0.06 -0.44 -3.56 0.00 0.00 178.44 175.09 3b3i h ASP 61 N 0.41 0.37 -0.21 -3.49 3.32 -1.18 -1.21 116.42 114.43 3b3i h ASP 61 Ca 0.06 -0.23 -0.02 0.00 0.02 0.00 0.00 57.03 56.86 3b3i h ASP 61 Cb 0.65 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 3b3i h ASP 61 CO 0.05 0.51 0.05 -0.09 -1.72 0.00 0.00 179.24 178.03 3b3i h ARG 62 N 0.22 0.34 -0.59 3.56 2.43 -1.07 -0.26 114.38 118.99 3b3i h ARG 62 Ca 0.08 -0.08 0.02 0.00 -0.81 0.00 0.00 59.98 59.18 3b3i h ARG 62 Cb 0.28 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.75 3b3i h ARG 62 CO 0.00 0.47 0.37 0.93 -1.51 0.00 0.00 179.97 180.23 3b3i h GLU 63 N 0.15 0.71 -0.54 0.20 4.39 -1.25 -0.83 114.58 117.41 3b3i h GLU 63 Ca 0.06 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 3b3i h GLU 63 Cb 0.28 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 3b3i h GLU 63 CO 0.00 0.47 0.27 1.15 -1.16 0.00 0.00 179.01 179.74 3b3i h THR 64 N 0.74 1.20 -0.61 1.13 2.02 -1.07 -1.03 112.91 115.29 3b3i h THR 64 Ca 0.23 -0.55 0.04 0.00 0.77 0.00 0.00 66.41 66.90 3b3i h THR 64 Cb -0.00 0.56 -0.05 0.00 -1.74 0.00 0.00 68.15 66.92 3b3i h THR 64 CO -0.09 0.22 0.35 -0.61 0.37 0.00 0.00 175.52 175.76 3b3i h GLN 65 N 0.73 0.65 -0.27 6.66 4.15 -0.65 -0.87 115.11 125.51 3b3i h GLN 65 Ca 0.19 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.54 3b3i h GLN 65 Cb 0.11 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.64 3b3i h GLN 65 CO -0.02 0.43 0.04 0.82 -1.93 0.00 0.00 178.83 178.16 3b3i h ILE 66 N 0.67 1.23 -0.44 2.39 2.04 -0.84 -2.10 117.51 120.46 3b3i h ILE 66 Ca 0.26 -0.79 0.03 0.00 1.00 0.00 0.00 64.86 65.36 3b3i h ILE 66 Cb 0.10 1.24 -0.04 0.00 -0.74 0.00 0.00 36.82 37.38 3b3i h ILE 66 CO -0.14 0.25 0.23 0.00 0.00 0.00 0.00 178.15 178.49 3b3i h LYS 68 N 0.45 1.07 -0.51 0.00 1.57 -1.06 -1.26 116.57 116.83 3b3i h LYS 68 Ca 0.19 -0.14 -0.11 0.00 -1.87 0.00 0.00 60.65 58.73 3b3i h LYS 68 Cb 0.09 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 3b3i h LYS 68 CO -0.13 0.81 -0.10 0.00 -0.57 0.00 0.00 179.45 179.46 3b3i h ALA 69 N 1.20 0.86 -0.58 3.86 0.00 -1.10 -2.31 119.26 121.19 3b3i h ALA 69 Ca 0.26 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3b3i h ALA 69 Cb 0.07 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3b3i h ALA 69 CO -0.04 0.65 0.12 -0.22 0.00 0.00 0.00 179.25 179.76 3b3i h LYS 70 N 0.84 0.94 -0.65 0.00 1.63 -0.69 -0.46 116.57 118.18 3b3i h LYS 70 Ca 0.14 -0.24 0.04 0.00 -0.85 0.00 0.00 60.65 59.73 3b3i h LYS 70 Cb 0.64 -0.12 -0.04 0.00 -0.60 0.00 0.00 32.23 32.11 3b3i h LYS 70 CO 0.04 0.88 0.39 0.00 -3.45 0.00 0.00 179.45 177.32 3b3i h ALA 71 N 1.02 0.86 -0.24 5.00 0.00 -1.09 0.55 119.26 125.35 3b3i h ALA 71 Ca 0.18 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3b3i h ALA 71 Cb 0.38 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3b3i h ALA 71 CO 0.01 0.13 0.08 1.96 0.00 0.00 0.00 179.25 181.43 3b3i h GLN 72 N 0.76 0.37 -0.66 0.00 4.20 -1.16 -2.38 115.11 116.25 3b3i h GLN 72 Ca 0.27 -0.08 0.01 0.00 0.06 0.00 0.00 58.65 58.91 3b3i h GLN 72 Cb 0.06 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 3b3i h GLN 72 CO -0.12 0.44 0.43 1.15 -0.67 0.00 0.00 178.83 180.06 3b3i h THR 73 N 0.23 1.17 -0.98 -0.54 2.02 -0.75 -2.44 112.91 111.63 3b3i h THR 73 Ca 0.08 -0.32 0.05 0.00 0.77 0.00 0.00 66.41 66.99 3b3i h THR 73 Cb 0.22 0.21 -0.06 0.00 -1.74 0.00 0.00 68.15 66.77 3b3i h THR 73 CO -0.00 0.17 0.64 0.44 0.37 0.00 0.00 175.52 177.13 3b3i h ASP 74 N 0.89 1.04 -0.60 4.18 5.19 -0.79 0.12 116.42 126.45 3b3i h ASP 74 Ca 0.24 -0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.57 3b3i h ASP 74 Cb -0.10 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.16 3b3i h ASP 74 CO -0.05 0.70 0.05 0.03 -3.12 0.00 0.00 179.24 176.85 3b3i h ARG 75 N 1.20 1.03 -0.53 3.56 3.08 -1.00 0.13 114.38 121.86 3b3i h ARG 75 Ca 0.40 -0.30 -0.06 0.00 0.07 0.00 0.00 59.98 60.09 3b3i h ARG 75 Cb 0.06 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 3b3i h ARG 75 CO -0.14 0.99 0.09 1.49 -1.07 0.00 0.00 179.97 181.32 3b3i h GLU 76 N 0.93 0.87 -0.72 0.04 4.81 -0.98 -2.59 114.58 116.94 3b3i h GLU 76 Ca 0.18 -0.23 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 3b3i h GLU 76 Cb 0.49 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 3b3i h GLU 76 CO 0.02 0.85 0.40 -0.44 -0.73 0.00 0.00 179.01 179.11 3b3i h ASP 77 N 0.76 0.90 -0.94 1.04 3.32 -0.45 -1.06 116.42 119.99 3b3i h ASP 77 Ca 0.16 -0.09 0.02 0.00 0.02 0.00 0.00 57.03 57.13 3b3i h ASP 77 Cb 0.40 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.67 3b3i h ASP 77 CO 0.01 0.73 0.62 -0.07 -1.72 0.00 0.00 179.24 178.81 3b3i h LEU 78 N 0.99 1.06 -0.51 1.55 3.38 -0.65 0.26 115.31 121.40 3b3i h LEU 78 Ca 0.25 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 3b3i h LEU 78 Cb 0.03 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3b3i h LEU 78 CO -0.04 0.76 0.19 0.03 0.09 0.00 0.00 178.44 179.47 3b3i h ARG 79 N 1.25 0.77 -0.66 1.13 3.08 -1.05 -2.63 114.38 116.27 3b3i h ARG 79 Ca 0.35 -0.15 0.04 0.00 0.07 0.00 0.00 59.98 60.29 3b3i h ARG 79 Cb -0.11 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 29.78 3b3i h ARG 79 CO -0.09 0.69 0.40 1.15 -1.07 0.00 0.00 179.97 181.06 3b3i h THR 80 N 0.68 1.06 -0.29 2.04 2.02 -0.72 -2.84 112.91 114.85 3b3i h THR 80 Ca 0.17 -0.27 -0.06 0.00 0.77 0.00 0.00 66.41 67.02 3b3i h THR 80 Cb 0.22 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 66.83 3b3i h THR 80 CO -0.01 0.14 -0.07 -0.07 0.37 0.00 0.00 175.52 175.88 3b3i h LEU 81 N 0.78 0.45 -0.86 2.58 3.38 -0.77 -0.80 115.31 120.07 3b3i h LEU 81 Ca 0.27 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.20 3b3i h LEU 81 Cb 0.06 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.63 3b3i h LEU 81 CO -0.12 0.57 0.54 -0.07 0.09 0.00 0.00 178.44 179.45 3b3i h LEU 82 N 0.45 0.86 -0.04 1.67 3.38 -1.23 -1.67 115.31 118.73 3b3i h LEU 82 Ca 0.09 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3b3i h LEU 82 Cb 0.41 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 3b3i h LEU 82 CO 0.02 0.56 0.00 0.03 0.09 0.00 0.00 178.44 179.14 3b3i h ARG 83 N 1.00 0.08 -0.29 1.13 3.08 -1.15 0.17 114.38 118.39 3b3i h ARG 83 Ca 0.37 -0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.46 3b3i h ARG 83 Cb 0.13 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 3b3i h ARG 83 CO -0.16 0.36 0.21 1.88 -1.07 0.00 0.00 179.97 181.19 3b3i h TYR 84 N -0.22 0.09 -0.34 3.04 -1.99 -0.93 -2.66 116.97 113.97 3b3i h TYR 84 Ca 0.01 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.74 3b3i h TYR 84 Cb 0.33 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 39.02 3b3i h TYR 84 CO 0.03 0.05 0.00 0.66 -0.00 0.00 0.00 178.16 178.90 3b3i n TYR 85 N -4.47 0.48 -3.74 4.88 4.01 -0.65 -4.80 117.16 112.87 3b3i n TYR 85 Ca 0.04 -0.52 -0.24 0.00 -0.16 0.00 0.00 57.90 57.01 3b3i n TYR 85 Cb 0.31 -0.04 0.04 0.00 -0.31 0.00 0.00 39.34 39.34 3b3i n TYR 85 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3b3i n ASN 86 N 0.45 -3.32 -4.81 7.72 3.02 -0.69 -4.97 115.26 112.66 3b3i n ASN 86 Ca 0.12 -0.74 -0.29 0.00 -0.03 0.00 0.00 54.58 53.63 3b3i n ASN 86 Cb 0.45 -4.25 -0.06 0.00 -0.61 0.00 0.00 39.78 35.31 3b3i n ASN 86 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3b3i s GLN 87 N -6.20 2.99 0.61 3.52 -0.21 0.53 -5.04 119.66 115.86 3b3i s GLN 87 Ca 0.33 -0.69 -0.18 0.00 0.02 0.00 0.00 55.36 54.84 3b3i s GLN 87 Cb -0.16 -2.76 -0.03 0.00 1.00 0.00 0.00 33.01 31.06 3b3i s GLN 87 CO 0.80 0.55 1.16 0.45 -2.12 0.00 0.00 175.29 176.13 3b3i s SER 88 N -2.62 5.23 0.00 5.90 0.15 -1.26 -4.72 113.70 116.38 3b3i s SER 88 Ca 0.31 2.22 0.32 0.00 0.70 0.00 0.00 55.95 59.49 3b3i s SER 88 Cb -0.12 -2.58 1.82 0.00 -1.71 0.00 0.00 66.02 63.43 3b3i s SER 88 CO 0.23 -1.56 2.19 -0.62 1.20 0.00 0.00 173.24 174.69 3b3i n GLU 89 N -1.82 0.87 0.10 5.44 1.02 -1.26 -4.00 120.64 120.99 3b3i n GLU 89 Ca 0.12 -0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.27 3b3i n GLU 89 Cb 0.51 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.41 3b3i n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3b3i h ALA 90 N 3.87 0.65 -2.26 0.62 0.00 -1.99 -3.45 119.26 116.71 3b3i h ALA 90 Ca 0.00 -0.59 -0.48 0.00 0.00 0.00 0.00 54.91 53.84 3b3i h ALA 90 Cb 0.07 0.04 0.02 0.00 0.00 0.00 0.00 17.79 17.92 3b3i h ALA 90 CO 0.00 0.73 -0.04 0.20 0.00 0.00 0.00 179.25 180.14 3b3i s GLY 91 N -4.58 1.42 -0.01 0.00 0.00 -1.26 -4.65 107.32 98.25 3b3i s GLY 91 Ca 0.01 -0.72 -0.21 0.00 0.00 0.00 0.00 44.72 43.81 3b3i s GLY 91 CO 0.77 -0.60 0.60 -0.45 0.00 0.00 0.00 173.10 173.42 3b3i s SER 92 N -4.08 6.97 0.14 1.64 0.15 -1.26 -4.62 113.70 112.64 3b3i s SER 92 Ca 0.44 1.16 0.03 0.00 0.70 0.00 0.00 55.95 58.28 3b3i s SER 92 Cb -0.10 -2.37 -0.04 0.00 -1.71 0.00 0.00 66.02 61.80 3b3i s SER 92 CO 0.40 0.08 -0.08 -1.00 1.20 0.00 0.00 173.24 173.85 3b3i s HIS 93 N -0.09 1.15 -0.06 3.44 4.02 -1.26 -4.95 115.29 117.54 3b3i s HIS 93 Ca 0.31 -0.83 0.04 0.00 1.02 0.00 0.00 55.06 55.60 3b3i s HIS 93 Cb -0.18 -0.61 0.00 0.00 -1.02 0.00 0.00 32.58 30.77 3b3i s HIS 93 CO 0.17 -0.02 -0.17 0.99 1.02 0.00 0.00 174.74 176.73 3b3i s THR 94 N -3.45 1.47 -0.14 1.30 2.01 -1.26 -1.09 115.64 114.48 3b3i s THR 94 Ca 0.16 -0.70 0.01 0.00 0.31 0.00 0.00 61.69 61.47 3b3i s THR 94 Cb 0.04 -1.29 0.02 0.00 0.01 0.00 0.00 72.50 71.28 3b3i s THR 94 CO -0.01 0.43 -0.17 -0.22 -0.69 0.00 0.00 174.62 173.96 3b3i s LEU 95 N 0.33 1.83 0.10 4.42 2.96 -0.23 -0.38 118.68 127.72 3b3i s LEU 95 Ca -0.11 -0.52 0.10 0.00 -0.22 0.00 0.00 54.13 53.39 3b3i s LEU 95 Cb -0.15 -1.25 -0.04 0.00 0.50 0.00 0.00 46.19 45.26 3b3i s LEU 95 CO 0.04 -0.01 -0.26 -1.10 -1.32 0.00 0.00 176.35 173.70 3b3i s GLN 96 N 1.23 1.49 -0.09 1.98 -0.21 0.10 -1.30 119.66 122.86 3b3i s GLN 96 Ca 0.00 -1.26 -0.05 0.00 0.02 0.00 0.00 55.36 54.07 3b3i s GLN 96 Cb -0.14 -1.88 0.04 0.00 1.00 0.00 0.00 33.01 32.04 3b3i s GLN 96 CO -0.07 0.46 0.22 1.21 -2.12 0.00 0.00 175.29 174.99 3b3i s ASN 97 N -1.79 -0.23 -0.02 5.90 3.84 -0.68 -0.97 114.94 120.98 3b3i s ASN 97 Ca 0.13 0.47 0.06 0.00 0.21 0.00 0.00 52.86 53.72 3b3i s ASN 97 Cb -0.10 0.38 -0.01 0.00 -0.55 0.00 0.00 41.25 40.97 3b3i s ASN 97 CO 0.05 -0.14 -0.20 -0.32 -2.79 0.00 0.00 177.10 173.70 3b3i s MET 98 N 0.96 1.62 0.13 0.43 -2.45 -0.45 -0.55 119.30 119.00 3b3i s MET 98 Ca -0.07 -0.71 -0.07 0.00 -1.25 0.00 0.00 55.69 53.59 3b3i s MET 98 Cb -0.08 -1.56 -0.01 0.00 1.25 0.00 0.00 34.83 34.42 3b3i s MET 98 CO -0.06 0.42 0.20 1.52 1.05 0.00 0.00 175.02 178.16 3b3i s TYR 99 N -0.45 0.42 -5.00 4.11 -0.85 -0.71 -1.11 117.35 113.76 3b3i s TYR 99 Ca 0.07 -0.82 0.00 0.00 -0.52 0.00 0.00 57.07 55.81 3b3i s TYR 99 Cb -0.08 -0.15 0.00 0.00 0.38 0.00 0.00 41.96 42.11 3b3i s TYR 99 CO -0.01 -0.62 0.00 0.41 -1.52 0.00 0.00 175.55 173.81 3b3i n GLY 100 N -0.14 -1.21 3.08 5.49 0.00 -0.63 -1.02 105.19 110.77 3b3i n GLY 100 Ca -0.09 -1.37 -0.11 0.00 0.00 0.00 0.00 46.02 44.45 3b3i n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b3i s ASP 102 N -1.35 5.08 0.08 0.00 1.01 0.25 -1.07 116.67 120.66 3b3i s ASP 102 Ca -0.14 0.07 0.10 0.00 0.71 0.00 0.00 52.55 53.28 3b3i s ASP 102 Cb -0.08 -1.37 -0.03 0.00 1.01 0.00 0.00 42.92 42.45 3b3i s ASP 102 CO 0.01 0.35 -0.25 0.68 0.21 0.00 0.00 175.17 176.17 3b3i s VAL 103 N -0.92 2.07 0.77 -1.27 -7.23 0.20 -0.28 120.40 113.73 3b3i s VAL 103 Ca 0.15 -1.51 -0.04 0.00 -1.81 0.00 0.00 61.98 58.77 3b3i s VAL 103 Cb -0.11 -1.81 0.16 0.00 0.56 0.00 0.00 36.38 35.18 3b3i s VAL 103 CO 0.04 0.20 1.05 0.61 -0.31 0.00 0.00 175.10 176.69 3b3i n GLY 104 N 1.40 0.17 0.32 2.32 0.00 -1.01 -1.53 105.19 106.86 3b3i n GLY 104 Ca -0.18 -1.96 0.19 0.00 0.00 0.00 0.00 46.02 44.08 3b3i n GLY 104 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3b3i h PRO 105 N 0.00 0.00 0.00 1.61 0.11 -1.92 0.39 132.00 132.20 3b3i h PRO 105 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3b3i h PRO 105 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3b3i h PRO 105 CO 0.34 0.01 0.00 -0.40 -0.21 0.00 0.00 178.00 177.74 3b3i n ASP 106 N -3.36 0.43 -0.03 -2.05 5.75 -1.26 -4.94 116.55 111.08 3b3i n ASP 106 Ca -0.03 0.55 -0.00 0.00 -0.01 0.00 0.00 54.79 55.30 3b3i n ASP 106 Cb 0.11 -0.66 -0.00 0.00 -1.03 0.00 0.00 41.12 39.53 3b3i n ASP 106 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3b3i n GLY 107 N 1.13 0.47 3.97 6.12 0.00 0.14 -5.05 105.19 111.97 3b3i n GLY 107 Ca 0.06 -0.31 -0.21 0.00 0.00 0.00 0.00 46.02 45.56 3b3i n GLY 107 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3b3i s ARG 108 N -0.73 3.43 0.01 1.61 0.52 -1.26 -4.81 118.95 117.71 3b3i s ARG 108 Ca 0.00 -0.76 -0.35 0.00 -0.52 0.00 0.00 55.73 54.10 3b3i s ARG 108 Cb 0.00 -2.88 -0.14 0.00 0.52 0.00 0.00 34.95 32.45 3b3i s ARG 108 CO 0.00 0.40 1.67 -0.11 0.02 0.00 0.00 175.30 177.28 3b3i n LEU 109 N -1.43 2.92 -0.05 2.53 7.94 -1.26 -2.40 117.00 125.24 3b3i n LEU 109 Ca -0.08 1.05 -0.21 0.00 -1.11 0.00 0.00 56.01 55.66 3b3i n LEU 109 Cb 0.57 -1.34 -0.13 0.00 0.53 0.00 0.00 43.42 43.05 3b3i n LEU 109 CO 0.45 -0.34 -1.00 0.18 -1.11 0.00 0.00 177.39 175.57 3b3i n LEU 110 N 4.66 2.68 -3.64 -1.96 4.77 0.62 -4.85 117.00 119.28 3b3i n LEU 110 Ca 0.20 0.11 -0.08 0.00 -0.03 0.00 0.00 56.01 56.21 3b3i n LEU 110 Cb 0.26 -1.03 -0.07 0.00 -2.33 0.00 0.00 43.42 40.25 3b3i n LEU 110 CO 0.69 0.84 0.61 -0.60 -1.33 0.00 0.00 177.39 177.59 3b3i s ARG 111 N -2.53 0.56 0.18 3.23 6.06 -1.21 -4.99 118.95 120.25 3b3i s ARG 111 Ca -0.28 0.78 0.08 0.00 -2.50 0.00 0.00 55.73 53.81 3b3i s ARG 111 Cb 0.08 0.21 -0.04 0.00 0.06 0.00 0.00 34.95 35.26 3b3i s ARG 111 CO 0.69 -0.09 -0.01 0.20 -2.50 0.00 0.00 175.30 173.60 3b3i s GLY 112 N 0.77 1.72 0.01 8.12 0.00 -1.26 -0.58 107.32 116.09 3b3i s GLY 112 Ca -0.03 -1.40 0.00 0.00 0.00 0.00 0.00 44.72 43.29 3b3i s GLY 112 CO -0.09 -1.43 -0.03 -0.19 0.00 0.00 0.00 173.10 171.36 3b3i s TYR 113 N -1.79 0.23 -0.30 1.90 2.02 -0.05 -4.81 117.35 114.56 3b3i s TYR 113 Ca 0.28 -0.25 -0.06 0.00 -0.37 0.00 0.00 57.07 56.67 3b3i s TYR 113 Cb -0.09 -0.15 0.19 0.00 -0.40 0.00 0.00 41.96 41.50 3b3i s TYR 113 CO 0.18 -0.07 0.80 -1.58 -1.57 0.00 0.00 175.55 173.31 3b3i s HIS 114 N -0.66 -1.15 0.04 2.71 2.46 -1.25 -1.60 115.29 115.83 3b3i s HIS 114 Ca -0.06 1.16 -0.11 0.00 0.47 0.00 0.00 55.06 56.53 3b3i s HIS 114 Cb -0.05 0.38 0.01 0.00 -0.13 0.00 0.00 32.58 32.79 3b3i s HIS 114 CO -0.00 -0.63 0.22 1.14 -2.47 0.00 0.00 174.74 173.00 3b3i s GLN 115 N 2.90 0.72 0.05 2.88 -2.07 -0.26 -0.37 119.66 123.50 3b3i s GLN 115 Ca 0.12 -0.58 0.06 0.00 -1.82 0.00 0.00 55.36 53.13 3b3i s GLN 115 Cb -0.12 0.30 -0.03 0.00 -1.09 0.00 0.00 33.01 32.07 3b3i s GLN 115 CO -0.17 -0.21 -0.16 -1.01 -1.32 0.00 0.00 175.29 172.41 3b3i s HIS 116 N -2.51 1.38 0.01 9.60 3.76 0.07 -1.35 115.29 126.24 3b3i s HIS 116 Ca -0.05 -0.39 0.03 0.00 -0.15 0.00 0.00 55.06 54.50 3b3i s HIS 116 Cb -0.01 -0.80 -0.01 0.00 1.11 0.00 0.00 32.58 32.86 3b3i s HIS 116 CO -0.03 0.07 -0.10 0.00 -0.85 0.00 0.00 174.74 173.83 3b3i s ALA 117 N -0.97 0.80 -0.14 -1.40 0.00 -0.14 -0.99 121.76 118.92 3b3i s ALA 117 Ca 0.02 -0.50 0.01 0.00 0.00 0.00 0.00 51.96 51.49 3b3i s ALA 117 Cb -0.09 -0.16 -0.00 0.00 0.00 0.00 0.00 23.12 22.87 3b3i s ALA 117 CO 0.02 0.17 -0.18 -0.47 0.00 0.00 0.00 175.76 175.30 3b3i s TYR 118 N -0.44 2.73 -1.52 0.00 5.04 -0.20 -0.72 117.35 122.23 3b3i s TYR 118 Ca 0.02 -1.05 -0.13 0.00 -2.44 0.00 0.00 57.07 53.47 3b3i s TYR 118 Cb -0.05 -1.84 0.08 0.00 0.35 0.00 0.00 41.96 40.50 3b3i s TYR 118 CO 0.00 -0.46 0.97 -0.25 -1.34 0.00 0.00 175.55 174.48 3b3i n ASP 119 N 3.90 -4.66 0.00 4.32 8.00 0.49 -1.84 116.55 126.76 3b3i n ASP 119 Ca -0.19 -0.78 0.00 0.00 0.71 0.00 0.00 54.79 54.53 3b3i n ASP 119 Cb 0.52 -3.90 0.00 0.00 -0.02 0.00 0.00 41.12 37.72 3b3i n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3b3i n GLY 120 N -1.70 1.01 3.47 0.44 0.00 -1.26 -5.01 105.19 102.14 3b3i n GLY 120 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 3b3i n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3b3i s LYS 121 N -0.07 2.42 0.18 1.61 1.02 -0.77 -5.07 119.74 119.05 3b3i s LYS 121 Ca 0.00 -0.75 -0.33 0.00 0.02 0.00 0.00 55.97 54.91 3b3i s LYS 121 Cb 0.00 -2.34 -0.15 0.00 -0.52 0.00 0.00 37.83 34.83 3b3i s LYS 121 CO 0.00 0.61 1.37 -0.25 -0.92 0.00 0.00 175.35 176.15 3b3i n ASP 122 N 2.17 2.27 -0.00 2.83 8.00 -1.26 -1.03 116.55 129.52 3b3i n ASP 122 Ca -0.17 1.13 -0.01 0.00 0.71 0.00 0.00 54.79 56.45 3b3i n ASP 122 Cb 0.52 -1.33 -0.00 0.00 -0.02 0.00 0.00 41.12 40.28 3b3i n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3b3i n TYR 123 N 2.21 0.00 -3.81 1.24 9.36 -0.16 -4.66 117.16 121.33 3b3i n TYR 123 Ca 0.15 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.24 3b3i n TYR 123 Cb 0.27 -0.05 -0.11 0.00 -0.63 0.00 0.00 39.34 38.82 3b3i n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 3b3i s ILE 124 N -1.34 0.03 -0.00 2.97 2.07 -1.19 -0.86 121.20 122.88 3b3i s ILE 124 Ca -0.03 -0.27 0.00 0.00 -1.41 0.00 0.00 60.65 58.94 3b3i s ILE 124 Cb 0.00 -0.41 0.01 0.00 0.13 0.00 0.00 42.46 42.19 3b3i s ILE 124 CO 0.04 -0.15 0.00 0.00 -1.91 0.00 0.00 174.94 172.93 3b3i s ALA 125 N -0.53 0.03 0.05 1.50 0.00 -0.46 -0.75 121.76 121.61 3b3i s ALA 125 Ca -0.06 0.05 -0.31 0.00 0.00 0.00 0.00 51.96 51.64 3b3i s ALA 125 Cb -0.04 -0.05 -0.06 0.00 0.00 0.00 0.00 23.12 22.97 3b3i s ALA 125 CO 0.01 -0.02 1.27 -1.17 0.00 0.00 0.00 175.76 175.86 3b3i s LEU 126 N 0.21 4.35 0.85 0.00 2.96 0.50 -0.91 118.68 126.64 3b3i s LEU 126 Ca -0.02 2.08 -0.12 0.00 -0.22 0.00 0.00 54.13 55.86 3b3i s LEU 126 Cb -0.03 -3.58 0.10 0.00 0.50 0.00 0.00 46.19 43.19 3b3i s LEU 126 CO -0.01 -0.56 1.10 0.20 -1.32 0.00 0.00 176.35 175.76 3b3i s ASN 127 N 1.24 3.98 0.54 3.68 0.01 0.20 -4.59 114.94 120.00 3b3i s ASN 127 Ca 0.61 1.32 0.24 0.00 -0.71 0.00 0.00 52.86 54.31 3b3i s ASN 127 Cb -0.31 -2.01 1.42 0.00 0.41 0.00 0.00 41.25 40.76 3b3i s ASN 127 CO 0.28 -2.29 2.04 -0.08 -1.51 0.00 0.00 177.10 175.54 3b3i h GLU 128 N -1.31 0.00 0.00 -0.60 4.81 -1.88 -0.17 114.58 115.42 3b3i h GLU 128 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3b3i h GLU 128 Cb 1.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.66 3b3i h GLU 128 CO 0.58 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.46 3b3i n ASP 129 N -4.28 0.54 -2.52 1.04 5.68 -1.26 -4.76 116.55 110.98 3b3i n ASP 129 Ca 0.06 0.71 -0.18 0.00 -0.50 0.00 0.00 54.79 54.88 3b3i n ASP 129 Cb 0.45 -0.79 -0.00 0.00 -1.14 0.00 0.00 41.12 39.63 3b3i n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3b3i n LEU 130 N -2.18 -1.69 0.00 -2.12 4.77 -0.08 -4.78 117.00 110.92 3b3i n LEU 130 Ca -0.00 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 3b3i n LEU 130 Cb 0.09 -2.60 0.00 0.00 -2.33 0.00 0.00 43.42 38.58 3b3i n LEU 130 CO 0.12 -0.12 0.00 -1.54 -1.33 0.00 0.00 177.39 174.52 3b3i n SER 131 N -2.00 0.00 -4.38 -1.43 3.41 -1.26 -4.47 113.62 103.50 3b3i n SER 131 Ca -0.19 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.24 3b3i n SER 131 Cb 0.65 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.49 3b3i n SER 131 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3b3i s SER 132 N 0.00 2.10 0.09 4.04 1.04 -1.26 -4.88 113.70 114.84 3b3i s SER 132 Ca 0.00 -1.26 0.10 0.00 0.48 0.00 0.00 55.95 55.27 3b3i s SER 132 Cb 0.00 -0.04 -0.03 0.00 0.10 0.00 0.00 66.02 66.05 3b3i s SER 132 CO 0.00 -0.51 -0.26 0.26 0.98 0.00 0.00 173.24 173.71 3b3i s TRP 133 N -3.33 2.24 -0.26 5.02 0.52 -1.26 -0.63 118.94 121.24 3b3i s TRP 133 Ca 0.31 -0.40 -0.02 0.00 0.02 0.00 0.00 56.10 56.02 3b3i s TRP 133 Cb 0.06 -1.27 0.03 0.00 -1.15 0.00 0.00 33.47 31.14 3b3i s TRP 133 CO 0.11 0.23 -0.05 0.99 0.02 0.00 0.00 176.95 178.25 3b3i s THR 134 N -0.95 2.91 -0.17 2.01 2.01 -0.09 -4.90 115.64 116.46 3b3i s THR 134 Ca 0.12 -1.10 -0.09 0.00 0.31 0.00 0.00 61.69 60.93 3b3i s THR 134 Cb -0.10 -2.52 -0.05 0.00 0.01 0.00 0.00 72.50 69.84 3b3i s THR 134 CO 0.04 0.13 0.14 0.00 -0.69 0.00 0.00 174.62 174.24 3b3i s ALA 135 N 1.31 3.75 -0.07 7.40 0.00 -1.26 -1.35 121.76 131.54 3b3i s ALA 135 Ca -0.01 -0.66 0.19 0.00 0.00 0.00 0.00 51.96 51.48 3b3i s ALA 135 Cb -0.17 -2.11 0.39 0.00 0.00 0.00 0.00 23.12 21.22 3b3i s ALA 135 CO -0.04 0.32 1.59 0.00 0.00 0.00 0.00 175.76 177.64 3b3i h ALA 136 N 6.05 0.83 -2.72 0.00 0.00 -1.27 -3.47 119.26 118.68 3b3i h ALA 136 Ca -0.46 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.10 3b3i h ALA 136 Cb 1.18 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3b3i h ALA 136 CO 0.69 0.46 0.23 -0.40 0.00 0.00 0.00 179.25 180.24 3b3i n ASP 137 N -3.29 -1.72 0.25 0.00 5.68 -1.26 -5.04 116.55 111.17 3b3i n ASP 137 Ca 0.01 -2.17 0.13 0.00 -0.50 0.00 0.00 54.79 52.27 3b3i n ASP 137 Cb 0.61 2.86 0.63 0.00 -1.14 0.00 0.00 41.12 44.07 3b3i n ASP 137 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 3b3i h THR 138 N 1.75 0.39 0.16 2.12 1.35 -1.99 -2.00 112.91 114.69 3b3i h THR 138 Ca -0.25 -0.76 -0.01 0.00 -0.55 0.00 0.00 66.41 64.84 3b3i h THR 138 Cb 0.94 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 68.92 3b3i h THR 138 CO 0.32 0.13 -0.07 0.00 -0.25 0.00 0.00 175.52 175.64 3b3i h ALA 139 N 1.87 -0.21 0.00 6.62 0.00 -1.97 -3.18 119.26 122.39 3b3i h ALA 139 Ca -0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3b3i h ALA 139 Cb 0.54 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 3b3i h ALA 139 CO 0.02 -0.42 -0.04 0.00 0.00 0.00 0.00 179.25 178.81 3b3i h ALA 140 N 0.13 1.74 0.00 0.00 0.00 -1.79 -0.50 119.26 118.84 3b3i h ALA 140 Ca -0.02 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3b3i h ALA 140 Cb 0.46 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 3b3i h ALA 140 CO 0.04 0.05 -0.12 1.96 0.00 0.00 0.00 179.25 181.17 3b3i h GLN 141 N 0.00 0.00 -0.20 0.00 4.20 -1.35 0.11 115.11 117.87 3b3i h GLN 141 Ca -0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 3b3i h GLN 141 Cb 0.08 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 3b3i h GLN 141 CO 0.00 0.12 -0.04 0.82 -0.67 0.00 0.00 178.83 179.06 3b3i h ILE 142 N 0.00 1.28 -0.60 2.54 1.08 -1.08 -1.33 117.51 119.40 3b3i h ILE 142 Ca -0.00 -1.02 0.04 0.00 -0.39 0.00 0.00 64.86 63.49 3b3i h ILE 142 Cb 0.23 1.54 -0.05 0.00 -3.07 0.00 0.00 36.82 35.48 3b3i h ILE 142 CO 0.02 0.31 0.34 0.74 -0.69 0.00 0.00 178.15 178.87 3b3i h THR 143 N 0.11 1.01 -0.30 -0.27 2.02 -1.37 -2.20 112.91 111.92 3b3i h THR 143 Ca 0.05 -0.23 0.04 0.00 0.77 0.00 0.00 66.41 67.04 3b3i h THR 143 Cb 0.49 0.29 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 3b3i h THR 143 CO 0.02 0.12 0.09 -0.61 0.37 0.00 0.00 175.52 175.51 3b3i h GLN 144 N 0.66 0.20 -0.48 6.66 4.15 -0.55 0.00 115.11 125.76 3b3i h GLN 144 Ca 0.26 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.71 3b3i h GLN 144 Cb 0.10 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.70 3b3i h GLN 144 CO -0.14 0.14 0.23 0.00 -1.93 0.00 0.00 178.83 177.13 3b3i h ARG 145 N 0.21 0.45 -0.59 1.69 3.08 -1.05 0.18 114.38 118.36 3b3i h ARG 145 Ca 0.13 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.16 3b3i h ARG 145 Cb 0.12 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 3b3i h ARG 145 CO -0.15 0.30 0.39 0.87 -1.07 0.00 0.00 179.97 180.31 3b3i h LYS 146 N 0.46 0.77 -0.02 0.04 1.57 -0.96 -1.19 116.57 117.24 3b3i h LYS 146 Ca 0.21 -0.05 -0.16 0.00 -1.87 0.00 0.00 60.65 58.78 3b3i h LYS 146 Cb 0.13 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 3b3i h LYS 146 CO -0.15 0.51 -0.72 -1.49 -0.57 0.00 0.00 179.45 177.02 3b3i h TRP 147 N 0.79 0.19 -0.45 -1.35 4.06 -0.57 -1.85 115.95 116.77 3b3i h TRP 147 Ca 0.22 -0.09 -0.09 0.00 2.06 0.00 0.00 58.89 60.99 3b3i h TRP 147 Cb -0.09 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 28.03 3b3i h TRP 147 CO -0.03 0.81 -0.06 0.93 -3.56 0.00 0.00 178.44 176.52 3b3i h GLU 148 N 0.09 0.84 -0.76 0.49 5.08 -0.54 -0.88 114.58 118.90 3b3i h GLU 148 Ca -0.02 -0.30 0.01 0.00 -1.00 0.00 0.00 59.36 58.05 3b3i h GLU 148 Cb 1.28 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.43 3b3i h GLU 148 CO 0.11 0.93 0.50 0.00 -1.00 0.00 0.00 179.01 179.55 3b3i h ALA 149 N 0.89 0.98 -0.12 3.43 0.00 -0.98 -2.78 119.26 120.67 3b3i h ALA 149 Ca 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3b3i h ALA 149 Cb 0.59 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3b3i h ALA 149 CO 0.04 0.37 0.00 0.00 0.00 0.00 0.00 179.25 179.65 3b3i n ALA 150 N -2.31 2.54 -3.80 0.00 0.00 -0.72 -4.94 120.51 111.28 3b3i n ALA 150 Ca 0.08 -0.50 -0.25 0.00 0.00 0.00 0.00 53.44 52.76 3b3i n ALA 150 Cb 0.03 -1.11 0.03 0.00 0.00 0.00 0.00 19.45 18.40 3b3i n ALA 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3b3i n ARG 151 N 0.29 -5.17 -0.26 0.00 1.74 -0.76 -4.89 116.66 107.60 3b3i n ARG 151 Ca 0.17 0.61 -0.05 0.00 -0.77 0.00 0.00 57.85 57.81 3b3i n ARG 151 Cb 0.34 -5.30 0.09 0.00 -1.02 0.00 0.00 32.46 26.58 3b3i n ARG 151 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3b3i h VAL 152 N -1.98 1.26 -0.83 1.55 2.07 -1.47 -2.87 116.25 113.97 3b3i h VAL 152 Ca -0.60 -0.83 0.02 0.00 0.82 0.00 0.00 66.70 66.11 3b3i h VAL 152 Cb 1.37 0.37 -0.05 0.00 -1.52 0.00 0.00 31.29 31.46 3b3i h VAL 152 CO 0.61 0.33 0.54 0.00 0.02 0.00 0.00 177.57 179.08 3b3i h ALA 153 N 1.20 1.07 -0.80 1.67 0.00 -1.90 -0.97 119.26 119.53 3b3i h ALA 153 Ca 0.25 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 3b3i h ALA 153 Cb 0.23 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3b3i h ALA 153 CO -0.02 0.42 0.49 0.93 0.00 0.00 0.00 179.25 181.08 3b3i h GLU 154 N 1.09 1.08 -0.53 0.00 3.07 -1.75 0.14 114.58 117.69 3b3i h GLU 154 Ca 0.32 -0.09 -0.06 0.00 -0.50 0.00 0.00 59.36 59.03 3b3i h GLU 154 Cb -0.07 -0.23 -0.02 0.00 -0.84 0.00 0.00 28.75 27.59 3b3i h GLU 154 CO -0.09 0.76 0.10 1.96 -1.40 0.00 0.00 179.01 180.34 3b3i h GLN 155 N 1.10 0.86 -0.36 2.33 4.20 -1.26 -1.94 115.11 120.05 3b3i h GLN 155 Ca 0.29 -0.22 -0.09 0.00 0.06 0.00 0.00 58.65 58.68 3b3i h GLN 155 Cb -0.06 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.61 3b3i h GLN 155 CO -0.06 0.83 -0.14 -0.07 -0.67 0.00 0.00 178.83 178.72 3b3i h LEU 156 N 0.75 0.74 -0.50 1.46 3.38 -0.89 -2.79 115.31 117.47 3b3i h LEU 156 Ca 0.16 -0.39 0.07 0.00 0.09 0.00 0.00 57.88 57.81 3b3i h LEU 156 Cb 0.38 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.86 3b3i h LEU 156 CO 0.01 0.97 0.18 -0.09 0.09 0.00 0.00 178.44 179.60 3b3i h ARG 157 N 0.51 0.35 -0.51 1.13 2.43 -0.65 0.68 114.38 118.32 3b3i h ARG 157 Ca 0.08 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.30 3b3i h ARG 157 Cb 0.67 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 30.09 3b3i h ARG 157 CO 0.05 0.23 0.20 0.00 -1.51 0.00 0.00 179.97 178.94 3b3i h ALA 158 N 1.33 0.63 -0.08 2.80 0.00 -1.27 -0.52 119.26 122.14 3b3i h ALA 158 Ca 0.24 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 3b3i h ALA 158 Cb 0.25 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3b3i h ALA 158 CO -0.24 -0.18 0.01 -0.92 0.00 0.00 0.00 179.25 177.92 3b3i h TYR 159 N 0.39 0.15 -0.54 0.00 3.20 -1.17 -2.00 116.97 117.00 3b3i h TYR 159 Ca 0.24 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.02 3b3i h TYR 159 Cb 0.24 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.44 3b3i h TYR 159 CO -0.15 0.37 0.05 -0.07 -1.64 0.00 0.00 178.16 176.72 3b3i h LEU 160 N -0.12 0.84 -0.06 2.82 3.38 -0.58 -0.34 115.31 121.26 3b3i h LEU 160 Ca 0.02 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.74 3b3i h LEU 160 Cb 0.30 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3b3i h LEU 160 CO 0.00 0.87 -0.32 -0.33 0.09 0.00 0.00 178.44 178.76 3b3i h GLU 161 N 0.83 0.00 0.00 1.13 5.08 -1.16 -3.33 114.58 117.13 3b3i h GLU 161 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3b3i h GLU 161 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 3b3i h GLU 161 CO 0.01 0.32 0.00 0.41 -1.00 0.00 0.00 179.01 178.75 3b3i n GLY 162 N 1.13 0.19 0.37 -3.84 0.00 -0.75 -4.67 105.19 97.62 3b3i n GLY 162 Ca 0.03 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.11 3b3i n GLY 162 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3b3i h GLU 163 N 0.00 0.93 -0.24 1.61 5.08 -1.59 -0.27 114.58 120.10 3b3i h GLU 163 Ca 0.00 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3b3i h GLU 163 Cb 0.00 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 3b3i h GLU 163 CO 0.00 0.62 0.14 0.00 -1.00 0.00 0.00 179.01 178.77 3b3i h VAL 165 N 0.29 1.32 -0.29 0.00 2.07 -1.56 -1.58 116.25 116.51 3b3i h VAL 165 Ca 0.09 -1.36 -0.01 0.00 0.82 0.00 0.00 66.70 66.23 3b3i h VAL 165 Cb 0.04 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 3b3i h VAL 165 CO -0.01 0.42 0.15 -0.33 0.02 0.00 0.00 177.57 177.81 3b3i h GLU 166 N 0.23 0.41 -0.07 1.57 5.08 -0.85 -1.23 114.58 119.72 3b3i h GLU 166 Ca 0.04 -0.06 -0.16 0.00 -1.00 0.00 0.00 59.36 58.18 3b3i h GLU 166 Cb 0.76 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 3b3i h GLU 166 CO 0.05 0.38 -0.65 -1.49 -1.00 0.00 0.00 179.01 176.30 3b3i h TRP 167 N 0.34 0.36 -0.51 4.33 4.06 -0.80 -2.25 115.95 121.48 3b3i h TRP 167 Ca 0.10 -0.15 0.03 0.00 2.06 0.00 0.00 58.89 60.93 3b3i h TRP 167 Cb 0.10 -0.06 -0.03 0.00 -1.00 0.00 0.00 29.16 28.16 3b3i h TRP 167 CO -0.02 0.85 0.30 1.25 -3.56 0.00 0.00 178.44 177.25 3b3i h LEU 168 N 0.20 0.48 -0.80 -4.49 5.85 -1.05 -0.88 115.31 114.61 3b3i h LEU 168 Ca -0.01 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 3b3i h LEU 168 Cb 1.18 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 42.08 3b3i h LEU 168 CO 0.10 0.34 0.38 0.03 -0.34 0.00 0.00 178.44 178.95 3b3i h ARG 169 N 0.59 1.16 -0.09 1.25 3.08 -1.07 -0.81 114.38 118.50 3b3i h ARG 169 Ca 0.21 -0.17 0.02 0.00 0.07 0.00 0.00 59.98 60.11 3b3i h ARG 169 Cb 0.03 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 3b3i h ARG 169 CO -0.10 0.90 -0.05 -0.09 -1.07 0.00 0.00 179.97 179.56 3b3i h ARG 170 N 1.14 -0.05 -0.65 0.04 2.43 -1.05 -1.96 114.38 114.29 3b3i h ARG 170 Ca 0.27 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.43 3b3i h ARG 170 Cb 0.12 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 3b3i h ARG 170 CO -0.03 -0.03 0.34 1.88 -1.51 0.00 0.00 179.97 180.61 3b3i h TYR 171 N -0.05 0.91 -0.80 2.20 0.05 -0.80 -1.09 116.97 117.39 3b3i h TYR 171 Ca 0.05 -0.03 0.01 0.00 0.05 0.00 0.00 58.73 58.81 3b3i h TYR 171 Cb 0.12 -0.29 -0.04 0.00 1.01 0.00 0.00 36.73 37.54 3b3i h TYR 171 CO -0.16 0.67 0.52 -0.07 -1.05 0.00 0.00 178.16 178.06 3b3i h LEU 172 N 0.89 0.93 -0.04 3.88 3.38 -0.95 0.32 115.31 123.72 3b3i h LEU 172 Ca 0.23 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 3b3i h LEU 172 Cb 0.07 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 3b3i h LEU 172 CO -0.03 0.68 -0.07 -0.08 0.09 0.00 0.00 178.44 179.03 3b3i h GLU 173 N 1.09 0.13 -0.58 1.13 4.57 -1.02 -2.08 114.58 117.81 3b3i h GLU 173 Ca 0.29 -0.08 -0.04 0.00 -1.18 0.00 0.00 59.36 58.36 3b3i h GLU 173 Cb -0.11 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.46 3b3i h GLU 173 CO -0.06 0.64 0.21 -0.91 -1.18 0.00 0.00 179.01 177.71 3b3i h ASN 174 N -0.37 0.79 -0.76 1.04 2.35 -0.97 -2.82 115.58 114.83 3b3i h ASN 174 Ca 0.00 -0.11 -0.27 0.00 -0.55 0.00 0.00 56.30 55.37 3b3i h ASN 174 Cb 0.63 -0.20 -0.16 0.00 0.05 0.00 0.00 38.32 38.63 3b3i h ASN 174 CO 0.02 0.72 0.33 0.61 -1.65 0.00 0.00 177.43 177.46 3b3i n GLY 175 N -0.99 3.90 0.36 2.83 0.00 0.11 -4.73 105.19 106.67 3b3i n GLY 175 Ca 0.05 -1.03 0.04 0.00 0.00 0.00 0.00 46.02 45.08 3b3i n GLY 175 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3b3i h LYS 176 N 2.24 0.91 -0.64 1.61 2.10 -1.10 0.23 116.57 121.91 3b3i h LYS 176 Ca 0.33 -0.05 0.19 0.00 -2.00 0.00 0.00 60.65 59.11 3b3i h LYS 176 Cb 2.40 -0.21 -0.03 0.00 -0.90 0.00 0.00 32.23 33.50 3b3i h LYS 176 CO 0.79 0.60 0.47 1.49 -2.00 0.00 0.00 179.45 180.80 3b3i h GLU 177 N 0.94 0.00 0.00 0.07 4.81 -1.86 -2.17 114.58 116.37 3b3i h GLU 177 Ca 0.35 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.47 3b3i h GLU 177 Cb 0.16 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 3b3i h GLU 177 CO -0.12 0.00 -1.35 0.25 -0.73 0.00 0.00 179.01 177.07 3b3i n THR 178 N -4.32 0.34 0.23 0.32 -2.24 -0.67 -4.41 114.28 103.53 3b3i n THR 178 Ca 0.12 -0.09 0.07 0.00 -2.27 0.00 0.00 64.05 61.88 3b3i n THR 178 Cb 0.72 -1.50 0.55 0.00 -2.10 0.00 0.00 70.33 68.00 3b3i n THR 178 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3b3i h LEU 179 N -0.20 0.00 -3.38 3.22 3.38 -0.68 -2.26 115.31 115.38 3b3i h LEU 179 Ca -0.16 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3b3i h LEU 179 Cb 1.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 3b3i h LEU 179 CO -0.09 0.16 0.01 0.00 0.09 0.00 0.00 178.44 178.61 3b3i n GLN 180 N -4.22 3.56 -4.04 1.13 6.02 -0.82 -4.88 117.38 114.14 3b3i n GLN 180 Ca -0.02 -2.97 -0.34 0.00 -0.01 0.00 0.00 57.00 53.65 3b3i n GLN 180 Cb 0.23 -2.00 -0.15 0.00 1.02 0.00 0.00 30.24 29.35 3b3i n GLN 180 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3b3i s ARG 181 N -2.84 3.28 -0.18 -1.09 3.52 -0.85 -4.97 118.95 115.82 3b3i s ARG 181 Ca 0.47 -0.68 -0.17 0.00 -0.13 0.00 0.00 55.73 55.22 3b3i s ARG 181 Cb 0.37 -2.86 -0.04 0.00 -1.56 0.00 0.00 34.95 30.86 3b3i s ARG 181 CO 0.11 -0.16 0.42 0.00 -0.81 0.00 0.00 175.30 174.86 3b3i s ALA 182 N 1.33 3.54 -0.32 6.12 0.00 -1.26 -4.76 121.76 126.41 3b3i s ALA 182 Ca 0.04 -0.43 -0.13 0.00 0.00 0.00 0.00 51.96 51.44 3b3i s ALA 182 Cb -0.14 -2.64 -0.03 0.00 0.00 0.00 0.00 23.12 20.31 3b3i s ALA 182 CO -0.05 -0.23 0.25 -0.51 0.00 0.00 0.00 175.76 175.22 3b3i s ASP 183 N 0.92 6.07 0.70 0.00 1.01 0.56 -4.78 116.67 121.15 3b3i s ASP 183 Ca 0.21 -0.28 -0.13 0.00 0.71 0.00 0.00 52.55 53.05 3b3i s ASP 183 Cb -0.15 -2.14 0.02 0.00 1.01 0.00 0.00 42.92 41.66 3b3i s ASP 183 CO 0.08 -0.20 1.10 -2.16 0.21 0.00 0.00 175.17 174.20 3b3i s PRO 184 N 1.78 2.60 0.39 8.23 0.04 -1.26 -1.05 135.00 145.73 3b3i s PRO 184 Ca 0.07 1.31 -0.25 0.00 0.04 0.00 0.00 61.00 62.17 3b3i s PRO 184 Cb -0.17 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.35 3b3i s PRO 184 CO 0.11 -1.39 1.08 -1.25 0.04 0.00 0.00 177.00 175.58 3b3i s PRO 185 N -4.39 4.17 -0.17 0.56 0.04 -1.26 -4.39 135.00 129.55 3b3i s PRO 185 Ca 0.65 1.60 -0.26 0.00 0.04 0.00 0.00 61.00 63.03 3b3i s PRO 185 Cb -0.19 -2.62 -0.01 0.00 0.04 0.00 0.00 34.50 31.72 3b3i s PRO 185 CO 0.47 -0.16 0.87 0.15 0.04 0.00 0.00 177.00 178.37 3b3i s LYS 186 N -2.38 4.30 0.00 4.56 1.02 0.48 -4.83 119.74 122.90 3b3i s LYS 186 Ca 0.57 1.09 0.07 0.00 0.02 0.00 0.00 55.97 57.72 3b3i s LYS 186 Cb -0.25 -3.58 -0.02 0.00 -0.52 0.00 0.00 37.83 33.46 3b3i s LYS 186 CO 0.31 -0.37 -0.21 0.95 -0.92 0.00 0.00 175.35 175.11 3b3i s THR 187 N 2.28 1.69 0.20 2.17 -4.23 -1.26 -0.91 115.64 115.58 3b3i s THR 187 Ca 0.40 -1.01 -0.21 0.00 -1.18 0.00 0.00 61.69 59.69 3b3i s THR 187 Cb -0.17 -1.43 0.05 0.00 1.34 0.00 0.00 72.50 72.29 3b3i s THR 187 CO 0.12 0.39 0.62 -1.38 -0.54 0.00 0.00 174.62 173.83 3b3i s HIS 188 N -0.60 -0.35 -0.11 3.99 -3.43 -1.13 -4.99 115.29 108.66 3b3i s HIS 188 Ca 0.08 0.04 0.02 0.00 -0.80 0.00 0.00 55.06 54.40 3b3i s HIS 188 Cb -0.08 0.57 -0.01 0.00 -1.43 0.00 0.00 32.58 31.63 3b3i s HIS 188 CO 0.00 -0.98 -0.18 0.08 -2.00 0.00 0.00 174.74 171.66 3b3i s VAL 189 N -3.83 2.60 0.26 -5.38 1.01 -1.26 -0.14 120.40 113.66 3b3i s VAL 189 Ca 0.06 -0.83 0.09 0.00 0.00 0.00 0.00 61.98 61.30 3b3i s VAL 189 Cb -0.02 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 3b3i s VAL 189 CO -0.05 0.54 0.02 0.42 0.00 0.00 0.00 175.10 176.03 3b3i s THR 190 N 0.27 3.59 -0.08 3.92 -4.23 0.07 -4.74 115.64 114.44 3b3i s THR 190 Ca -0.13 -1.83 0.02 0.00 -1.18 0.00 0.00 61.69 58.57 3b3i s THR 190 Cb -0.16 -2.92 0.01 0.00 1.34 0.00 0.00 72.50 70.77 3b3i s THR 190 CO 0.07 -0.36 -0.12 -2.28 -0.54 0.00 0.00 174.62 171.39 3b3i s HIS 191 N -2.27 1.55 -0.36 3.99 2.46 -1.26 -1.11 115.29 118.30 3b3i s HIS 191 Ca 0.31 -0.63 -0.00 0.00 0.47 0.00 0.00 55.06 55.21 3b3i s HIS 191 Cb -0.07 -1.15 0.12 0.00 -0.13 0.00 0.00 32.58 31.35 3b3i s HIS 191 CO 0.20 -0.34 0.18 -1.01 -2.47 0.00 0.00 174.74 171.30 3b3i s HIS 192 N 0.86 1.32 0.25 3.88 3.76 0.63 -4.97 115.29 121.02 3b3i s HIS 192 Ca -0.11 -1.79 -0.31 0.00 -0.15 0.00 0.00 55.06 52.70 3b3i s HIS 192 Cb -0.15 -1.43 -0.13 0.00 1.11 0.00 0.00 32.58 31.98 3b3i s HIS 192 CO 0.01 -0.83 1.51 -2.30 -0.85 0.00 0.00 174.74 172.28 3b3i n PRO 193 N 4.29 2.32 -0.11 8.40 -0.02 -1.26 -0.29 135.00 148.32 3b3i n PRO 193 Ca 0.04 0.83 -0.17 0.00 -2.02 0.00 0.00 63.50 62.18 3b3i n PRO 193 Cb 0.38 -2.55 -0.10 0.00 -0.02 0.00 0.00 33.50 31.21 3b3i n PRO 193 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3b3i n ILE 194 N 2.26 1.29 -3.78 4.25 5.41 -0.42 -4.85 119.36 123.53 3b3i n ILE 194 Ca 0.11 -0.47 -0.09 0.00 1.00 0.00 0.00 62.75 63.30 3b3i n ILE 194 Cb 0.33 -1.36 -0.01 0.00 -0.71 0.00 0.00 39.64 37.89 3b3i n ILE 194 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 3b3i n SER 195 N -3.27 -1.22 0.32 4.38 3.41 -0.98 -4.99 113.62 111.27 3b3i n SER 195 Ca -0.41 -2.26 0.20 0.00 -0.26 0.00 0.00 58.87 56.14 3b3i n SER 195 Cb 0.91 2.16 1.09 0.00 -0.26 0.00 0.00 64.21 68.11 3b3i n SER 195 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3b3i h ASP 196 N 1.40 0.00 0.00 4.04 3.32 -2.04 -3.28 116.42 119.87 3b3i h ASP 196 Ca -0.21 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.71 3b3i h ASP 196 Cb 0.86 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.38 3b3i h ASP 196 CO 0.28 0.01 -1.94 1.41 -1.72 0.00 0.00 179.24 177.27 3b3i n HIS 197 N -3.33 0.00 -3.95 4.55 8.25 -1.26 -4.77 115.22 114.71 3b3i n HIS 197 Ca -0.03 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.34 3b3i n HIS 197 Cb 0.09 -0.57 -0.10 0.00 1.12 0.00 0.00 29.99 30.53 3b3i n HIS 197 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3b3i s GLU 198 N -2.89 0.56 0.03 -0.41 2.02 -1.24 -0.63 118.70 116.14 3b3i s GLU 198 Ca -0.07 -0.77 -0.05 0.00 0.02 0.00 0.00 54.97 54.10 3b3i s GLU 198 Cb 0.09 0.21 -0.01 0.00 0.10 0.00 0.00 34.13 34.52 3b3i s GLU 198 CO 0.71 -0.13 0.08 0.00 0.02 0.00 0.00 175.26 175.94 3b3i s ALA 199 N -2.56 -0.07 -0.11 5.21 0.00 -0.45 -1.30 121.76 122.48 3b3i s ALA 199 Ca -0.05 -0.49 -0.18 0.00 0.00 0.00 0.00 51.96 51.23 3b3i s ALA 199 Cb -0.01 0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.26 3b3i s ALA 199 CO -0.04 -0.27 0.47 0.99 0.00 0.00 0.00 175.76 176.91 3b3i s THR 200 N -2.19 5.18 -0.24 0.00 2.01 0.60 -0.54 115.64 120.46 3b3i s THR 200 Ca -0.09 0.94 -0.08 0.00 0.31 0.00 0.00 61.69 62.78 3b3i s THR 200 Cb -0.04 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.63 3b3i s THR 200 CO -0.03 0.34 0.10 -0.76 -0.69 0.00 0.00 174.62 173.59 3b3i s LEU 201 N 0.51 3.70 -0.21 4.42 1.43 -0.10 -0.26 118.68 128.18 3b3i s LEU 201 Ca 0.26 -0.07 -0.01 0.00 -1.03 0.00 0.00 54.13 53.28 3b3i s LEU 201 Cb -0.15 -1.99 0.01 0.00 0.03 0.00 0.00 46.19 44.09 3b3i s LEU 201 CO 0.10 0.02 -0.12 -0.60 0.23 0.00 0.00 176.35 175.98 3b3i s ARG 202 N 1.29 3.08 -0.25 1.70 3.52 -0.26 -1.55 118.95 126.48 3b3i s ARG 202 Ca 0.06 -0.79 -0.14 0.00 -0.13 0.00 0.00 55.73 54.72 3b3i s ARG 202 Cb -0.15 -2.79 -0.04 0.00 -1.56 0.00 0.00 34.95 30.41 3b3i s ARG 202 CO 0.05 -0.24 0.32 0.00 -0.81 0.00 0.00 175.30 174.62 3b3i s TRP 204 N 1.68 3.18 -0.13 0.00 0.52 0.80 -1.82 118.94 123.18 3b3i s TRP 204 Ca 0.14 0.18 -0.00 0.00 0.02 0.00 0.00 56.10 56.43 3b3i s TRP 204 Cb -0.15 -1.75 0.03 0.00 -1.15 0.00 0.00 33.47 30.45 3b3i s TRP 204 CO 0.09 0.50 -0.07 0.00 0.02 0.00 0.00 176.95 177.48 3b3i s ALA 205 N -1.02 1.38 0.05 0.98 0.00 -0.11 -2.86 121.76 120.18 3b3i s ALA 205 Ca 0.17 -0.62 0.05 0.00 0.00 0.00 0.00 51.96 51.57 3b3i s ALA 205 Cb -0.12 -0.96 -0.02 0.00 0.00 0.00 0.00 23.12 22.02 3b3i s ALA 205 CO 0.07 -0.50 -0.15 -0.51 0.00 0.00 0.00 175.76 174.68 3b3i s LEU 206 N 1.69 2.21 -1.03 0.00 1.43 -0.09 -1.10 118.68 121.80 3b3i s LEU 206 Ca 0.04 -0.53 -0.00 0.00 -1.03 0.00 0.00 54.13 52.61 3b3i s LEU 206 Cb -0.13 -0.61 0.00 0.00 0.03 0.00 0.00 46.19 45.48 3b3i s LEU 206 CO -0.08 0.00 0.03 0.61 0.23 0.00 0.00 176.35 177.15 3b3i n GLY 207 N 1.64 -0.12 3.95 -3.19 0.00 -0.77 -0.39 105.19 106.31 3b3i n GLY 207 Ca -0.19 -0.36 -0.25 0.00 0.00 0.00 0.00 46.02 45.21 3b3i n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3b3i s PHE 208 N -2.63 3.48 -0.21 1.61 -0.71 -1.04 -4.70 117.98 113.78 3b3i s PHE 208 Ca 0.02 0.11 -0.16 0.00 -1.04 0.00 0.00 56.93 55.86 3b3i s PHE 208 Cb -0.01 -1.66 0.06 0.00 -1.21 0.00 0.00 43.02 40.20 3b3i s PHE 208 CO 0.02 0.50 0.53 -0.47 -1.34 0.00 0.00 175.22 174.46 3b3i s TYR 209 N -1.78 -0.68 0.70 3.49 5.04 -0.21 -0.96 117.35 122.94 3b3i s TYR 209 Ca 0.35 1.53 -0.12 0.00 -2.44 0.00 0.00 57.07 56.39 3b3i s TYR 209 Cb -0.11 0.30 0.17 0.00 0.35 0.00 0.00 41.96 42.67 3b3i s TYR 209 CO 0.29 -0.35 0.73 -0.35 -1.34 0.00 0.00 175.55 174.53 3b3i n PRO 210 N 3.48 -1.75 0.19 4.97 -0.04 -1.26 -0.32 135.00 140.26 3b3i n PRO 210 Ca -0.17 -1.14 0.04 0.00 -0.04 0.00 0.00 63.50 62.18 3b3i n PRO 210 Cb 0.56 -0.94 0.36 0.00 -0.04 0.00 0.00 33.50 33.45 3b3i n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3b3i h ALA 211 N -2.24 1.17 -2.56 0.55 0.00 -1.95 -3.45 119.26 110.78 3b3i h ALA 211 Ca -0.26 -0.35 -0.52 0.00 0.00 0.00 0.00 54.91 53.78 3b3i h ALA 211 Cb 0.75 -0.06 0.05 0.00 0.00 0.00 0.00 17.79 18.53 3b3i h ALA 211 CO 0.17 0.48 1.07 -2.00 0.00 0.00 0.00 179.25 178.97 3b3i s GLU 212 N -3.89 4.14 0.01 0.00 2.56 -1.26 -4.97 118.70 115.28 3b3i s GLU 212 Ca -0.02 2.58 -0.28 0.00 0.00 0.00 0.00 54.97 57.25 3b3i s GLU 212 Cb 0.13 -3.40 0.08 0.00 2.00 0.00 0.00 34.13 32.93 3b3i s GLU 212 CO 0.70 -0.80 0.72 -1.50 -0.56 0.00 0.00 175.26 173.82 3b3i s ILE 213 N 2.15 0.00 -0.12 -3.70 2.07 -1.26 -4.68 121.20 115.65 3b3i s ILE 213 Ca 0.78 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 60.03 3b3i s ILE 213 Cb -0.47 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.14 3b3i s ILE 213 CO 0.35 0.00 -0.13 -0.89 -1.91 0.00 0.00 174.94 172.35 3b3i s THR 214 N -2.23 1.42 -0.14 4.00 2.01 -0.39 -5.00 115.64 115.32 3b3i s THR 214 Ca -0.04 -0.57 0.02 0.00 0.31 0.00 0.00 61.69 61.41 3b3i s THR 214 Cb -0.00 -1.33 0.01 0.00 0.01 0.00 0.00 72.50 71.18 3b3i s THR 214 CO -0.01 0.43 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.40 3b3i s LEU 215 N 1.28 1.96 0.01 4.42 1.43 -1.26 -1.23 118.68 125.29 3b3i s LEU 215 Ca -0.01 -0.55 0.01 0.00 -1.03 0.00 0.00 54.13 52.55 3b3i s LEU 215 Cb -0.14 -1.32 -0.01 0.00 0.03 0.00 0.00 46.19 44.75 3b3i s LEU 215 CO -0.06 0.04 -0.03 0.42 0.23 0.00 0.00 176.35 176.96 3b3i s THR 216 N 0.98 0.18 -0.15 5.49 -4.23 -0.82 -4.97 115.64 112.13 3b3i s THR 216 Ca -0.04 -0.30 -0.07 0.00 -1.18 0.00 0.00 61.69 60.09 3b3i s THR 216 Cb -0.15 -0.19 -0.04 0.00 1.34 0.00 0.00 72.50 73.46 3b3i s THR 216 CO -0.04 -0.08 0.11 0.26 -0.54 0.00 0.00 174.62 174.33 3b3i s TRP 217 N -0.39 3.46 0.03 3.99 0.52 -1.26 -0.20 118.94 125.09 3b3i s TRP 217 Ca -0.03 0.39 0.07 0.00 0.02 0.00 0.00 56.10 56.55 3b3i s TRP 217 Cb -0.03 -2.00 -0.03 0.00 -1.15 0.00 0.00 33.47 30.26 3b3i s TRP 217 CO -0.00 0.52 -0.20 -0.65 0.02 0.00 0.00 176.95 176.64 3b3i s GLN 218 N -0.48 2.07 -0.18 4.98 -0.21 0.33 -1.04 119.66 125.13 3b3i s GLN 218 Ca 0.12 -0.97 -0.00 0.00 0.02 0.00 0.00 55.36 54.53 3b3i s GLN 218 Cb -0.12 -2.16 0.01 0.00 1.00 0.00 0.00 33.01 31.74 3b3i s GLN 218 CO 0.02 0.55 -0.16 0.50 -2.12 0.00 0.00 175.29 174.07 3b3i s ARG 219 N -1.27 3.09 -1.45 2.91 3.52 -0.10 -1.13 118.95 124.52 3b3i s ARG 219 Ca 0.13 -0.78 0.00 0.00 -0.13 0.00 0.00 55.73 54.95 3b3i s ARG 219 Cb -0.10 -2.66 0.00 0.00 -1.56 0.00 0.00 34.95 30.63 3b3i s ARG 219 CO 0.04 -0.18 0.00 -0.25 -0.81 0.00 0.00 175.30 174.10 3b3i n ASP 220 N 4.58 -4.92 0.00 -2.12 8.00 -0.12 -0.99 116.55 120.97 3b3i n ASP 220 Ca -0.20 0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.40 3b3i n ASP 220 Cb 0.50 -4.14 0.00 0.00 -0.02 0.00 0.00 41.12 37.46 3b3i n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3b3i n GLY 221 N -0.88 0.58 3.60 0.44 0.00 -1.26 -5.03 105.19 102.63 3b3i n GLY 221 Ca -0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 3b3i n GLY 221 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3b3i s GLU 222 N -0.01 3.93 0.11 1.61 2.56 -0.16 -5.01 118.70 121.73 3b3i s GLU 222 Ca 0.00 -0.35 -0.34 0.00 0.00 0.00 0.00 54.97 54.28 3b3i s GLU 222 Cb 0.00 -3.39 -0.13 0.00 2.00 0.00 0.00 34.13 32.61 3b3i s GLU 222 CO 0.00 0.05 1.64 -0.25 -0.56 0.00 0.00 175.26 176.14 3b3i n ASP 223 N 4.24 3.14 -2.75 -1.70 9.92 -1.26 -0.92 116.55 127.22 3b3i n ASP 223 Ca -0.16 1.06 -0.36 0.00 -0.53 0.00 0.00 54.79 54.80 3b3i n ASP 223 Cb 0.52 -1.41 0.02 0.00 -0.64 0.00 0.00 41.12 39.61 3b3i n ASP 223 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3b3i n GLN 224 N 4.07 2.64 0.15 -1.24 1.13 -0.21 -4.81 117.38 119.11 3b3i n GLN 224 Ca 0.18 -3.18 -0.14 0.00 -1.94 0.00 0.00 57.00 51.92 3b3i n GLN 224 Cb 0.29 -2.23 -0.06 0.00 0.11 0.00 0.00 30.24 28.35 3b3i n GLN 224 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 3b3i h THR 225 N 1.89 0.52 0.00 5.09 2.02 -1.90 -0.78 112.91 119.75 3b3i h THR 225 Ca 0.53 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.71 3b3i h THR 225 Cb 0.27 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.20 3b3i h THR 225 CO 1.31 0.00 0.00 1.56 0.37 0.00 0.00 175.52 178.76 3b3i h GLN 226 N -0.47 0.00 -0.11 6.66 1.08 -2.00 -3.08 115.11 117.19 3b3i h GLN 226 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3b3i h GLN 226 Cb 0.44 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.87 3b3i h GLN 226 CO -0.06 0.00 0.00 -0.25 -0.95 0.00 0.00 178.83 177.57 3b3i n ASP 227 N -2.98 2.58 -4.68 1.46 9.92 -0.77 -4.95 116.55 117.14 3b3i n ASP 227 Ca -0.00 -1.76 -0.36 0.00 -0.53 0.00 0.00 54.79 52.14 3b3i n ASP 227 Cb 0.24 -0.06 -0.09 0.00 -0.64 0.00 0.00 41.12 40.57 3b3i n ASP 227 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 3b3i s THR 228 N -1.35 5.36 -0.28 -3.53 2.01 -0.37 -4.48 115.64 113.00 3b3i s THR 228 Ca 0.22 0.21 -0.23 0.00 0.31 0.00 0.00 61.69 62.20 3b3i s THR 228 Cb 0.15 -3.51 -0.00 0.00 0.01 0.00 0.00 72.50 69.15 3b3i s THR 228 CO 0.22 0.36 0.77 -0.70 -0.69 0.00 0.00 174.62 174.58 3b3i s GLU 229 N 0.90 4.04 -0.23 4.92 2.12 0.94 -4.90 118.70 126.50 3b3i s GLU 229 Ca 0.08 0.66 0.01 0.00 0.36 0.00 0.00 54.97 56.08 3b3i s GLU 229 Cb -0.13 -3.70 0.03 0.00 0.26 0.00 0.00 34.13 30.60 3b3i s GLU 229 CO 0.03 -0.60 -0.12 -1.17 -0.54 0.00 0.00 175.26 172.86 3b3i s LEU 230 N 2.86 2.90 0.43 2.70 2.96 -1.26 -0.20 118.68 129.06 3b3i s LEU 230 Ca 0.32 -0.94 -0.20 0.00 -0.22 0.00 0.00 54.13 53.09 3b3i s LEU 230 Cb -0.15 -1.57 -0.11 0.00 0.50 0.00 0.00 46.19 44.87 3b3i s LEU 230 CO 0.11 -0.10 0.94 0.68 -1.32 0.00 0.00 176.35 176.66 3b3i s VAL 231 N 1.25 4.42 0.33 1.68 -7.23 -1.01 -5.01 120.40 114.83 3b3i s VAL 231 Ca -0.01 1.42 -0.29 0.00 -1.81 0.00 0.00 61.98 61.30 3b3i s VAL 231 Cb -0.16 -3.61 -0.12 0.00 0.56 0.00 0.00 36.38 33.05 3b3i s VAL 231 CO -0.08 -0.35 1.44 1.21 -0.31 0.00 0.00 175.10 177.02 3b3i n GLU 232 N -0.72 2.43 -1.66 4.82 2.13 -1.26 -4.59 120.64 121.79 3b3i n GLU 232 Ca 0.07 0.86 -0.46 0.00 0.66 0.00 0.00 57.16 58.28 3b3i n GLU 232 Cb 0.54 -2.55 -0.04 0.00 0.27 0.00 0.00 31.44 29.67 3b3i n GLU 232 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 3b3i n THR 233 N 0.99 0.38 -4.39 6.31 -1.04 -1.26 -4.86 114.28 110.40 3b3i n THR 233 Ca 0.05 -0.09 -0.21 0.00 -2.04 0.00 0.00 64.05 61.76 3b3i n THR 233 Cb 0.37 -1.45 -0.13 0.00 -1.82 0.00 0.00 70.33 67.30 3b3i n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3b3i s ARG 234 N 0.35 1.02 0.19 -2.82 1.70 -0.30 -4.96 118.95 114.13 3b3i s ARG 234 Ca 0.75 -0.82 -0.30 0.00 -0.47 0.00 0.00 55.73 54.89 3b3i s ARG 234 Cb -0.69 -1.06 -0.08 0.00 -0.57 0.00 0.00 34.95 32.55 3b3i s ARG 234 CO 0.43 0.26 1.06 -1.25 -1.08 0.00 0.00 175.30 174.72 3b3i s PRO 235 N -1.21 4.65 0.25 3.89 0.04 -1.26 -0.67 135.00 140.69 3b3i s PRO 235 Ca 0.03 1.66 0.13 0.00 0.04 0.00 0.00 61.00 62.86 3b3i s PRO 235 Cb -0.08 -3.28 0.03 0.00 0.04 0.00 0.00 34.50 31.21 3b3i s PRO 235 CO 0.01 0.17 1.42 0.00 0.04 0.00 0.00 177.00 178.64 3b3i h ALA 236 N 4.90 0.62 0.00 8.56 0.00 -1.37 -3.47 119.26 128.50 3b3i h ALA 236 Ca -0.44 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 53.91 3b3i h ALA 236 Cb 1.21 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3b3i h ALA 236 CO 0.71 0.76 0.00 0.41 0.00 0.00 0.00 179.25 181.13 3b3i n GLY 237 N 1.20 0.52 0.57 0.00 0.00 -1.26 -4.96 105.19 101.27 3b3i n GLY 237 Ca 0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.11 3b3i n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3b3i n ASP 238 N 0.00 2.98 0.00 1.61 5.68 -1.26 -4.93 116.55 120.63 3b3i n ASP 238 Ca 0.00 -3.18 0.00 0.00 -0.50 0.00 0.00 54.79 51.11 3b3i n ASP 238 Cb 0.00 -0.51 0.00 0.00 -1.14 0.00 0.00 41.12 39.47 3b3i n ASP 238 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 3b3i n ARG 239 N -0.99 0.00 -2.55 0.11 1.85 -1.26 -5.06 116.66 108.76 3b3i n ARG 239 Ca 0.20 0.00 -0.23 0.00 -1.00 0.00 0.00 57.85 56.83 3b3i n ARG 239 Cb 0.79 -0.12 0.06 0.00 -1.05 0.00 0.00 32.46 32.15 3b3i n ARG 239 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 3b3i s THR 240 N -2.36 2.44 0.25 8.89 -4.23 -1.26 -4.90 115.64 114.47 3b3i s THR 240 Ca 0.00 -0.58 0.06 0.00 -1.18 0.00 0.00 61.69 59.99 3b3i s THR 240 Cb 0.00 -2.87 -0.05 0.00 1.34 0.00 0.00 72.50 70.92 3b3i s THR 240 CO 0.00 0.00 -0.05 -0.36 -0.54 0.00 0.00 174.62 173.67 3b3i s PHE 241 N -2.96 1.79 0.07 3.99 0.08 -0.14 -0.97 117.98 119.84 3b3i s PHE 241 Ca 0.61 -0.77 0.03 0.00 0.12 0.00 0.00 56.93 56.92 3b3i s PHE 241 Cb -0.09 -1.01 -0.03 0.00 -0.57 0.00 0.00 43.02 41.32 3b3i s PHE 241 CO 0.41 0.17 -0.09 -0.65 -0.10 0.00 0.00 175.22 174.97 3b3i s GLN 242 N -3.77 0.69 -0.01 0.44 -0.21 0.15 -1.84 119.66 115.11 3b3i s GLN 242 Ca 0.28 -0.96 -0.26 0.00 0.02 0.00 0.00 55.36 54.44 3b3i s GLN 242 Cb 0.04 -0.41 0.06 0.00 1.00 0.00 0.00 33.01 33.70 3b3i s GLN 242 CO 0.10 0.07 0.58 0.21 -2.12 0.00 0.00 175.29 174.13 3b3i s LYS 243 N -2.21 1.01 0.06 2.91 2.20 -0.26 -1.15 119.74 122.31 3b3i s LYS 243 Ca -0.02 0.02 0.00 0.00 -0.36 0.00 0.00 55.97 55.61 3b3i s LYS 243 Cb -0.06 0.47 -0.04 0.00 -1.51 0.00 0.00 37.83 36.69 3b3i s LYS 243 CO -0.00 -0.34 -0.05 1.67 -0.36 0.00 0.00 175.35 176.27 3b3i s TRP 244 N -1.70 0.65 -0.05 4.03 1.48 -1.26 -0.93 118.94 121.15 3b3i s TRP 244 Ca -0.09 -0.89 0.03 0.00 -1.06 0.00 0.00 56.10 54.09 3b3i s TRP 244 Cb -0.01 -0.42 0.01 0.00 -1.16 0.00 0.00 33.47 31.89 3b3i s TRP 244 CO 0.05 -0.24 -0.11 0.00 -4.06 0.00 0.00 176.95 172.58 3b3i s ALA 245 N -3.26 1.14 0.04 2.67 0.00 -0.75 -2.41 121.76 119.19 3b3i s ALA 245 Ca 0.04 -0.41 0.05 0.00 0.00 0.00 0.00 51.96 51.65 3b3i s ALA 245 Cb 0.03 -0.47 -0.02 0.00 0.00 0.00 0.00 23.12 22.66 3b3i s ALA 245 CO -0.06 0.14 -0.15 0.00 0.00 0.00 0.00 175.76 175.69 3b3i s ALA 246 N 0.43 1.29 0.05 0.00 0.00 0.72 -0.48 121.76 123.76 3b3i s ALA 246 Ca -0.09 -0.87 0.05 0.00 0.00 0.00 0.00 51.96 51.05 3b3i s ALA 246 Cb -0.13 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.75 3b3i s ALA 246 CO 0.02 0.26 -0.14 0.14 0.00 0.00 0.00 175.76 176.04 3b3i s VAL 247 N -0.83 1.11 -0.21 0.00 -7.23 -0.60 -0.04 120.40 112.60 3b3i s VAL 247 Ca 0.03 -1.11 -0.16 0.00 -1.81 0.00 0.00 61.98 58.93 3b3i s VAL 247 Cb -0.08 -1.03 -0.04 0.00 0.56 0.00 0.00 36.38 35.79 3b3i s VAL 247 CO 0.01 -0.08 0.39 -0.69 -0.31 0.00 0.00 175.10 174.42 3b3i s VAL 248 N -1.00 5.20 0.06 1.32 1.01 -1.26 -0.92 120.40 124.80 3b3i s VAL 248 Ca 0.00 0.67 0.08 0.00 0.00 0.00 0.00 61.98 62.73 3b3i s VAL 248 Cb -0.09 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 3b3i s VAL 248 CO 0.02 0.24 -0.23 0.68 0.00 0.00 0.00 175.10 175.81 3b3i s VAL 249 N 1.42 1.86 0.28 2.92 -7.23 0.30 -4.95 120.40 115.00 3b3i s VAL 249 Ca 0.18 -1.34 -0.30 0.00 -1.81 0.00 0.00 61.98 58.71 3b3i s VAL 249 Cb -0.15 -1.62 -0.11 0.00 0.56 0.00 0.00 36.38 35.06 3b3i s VAL 249 CO 0.08 0.21 1.54 -2.84 -0.31 0.00 0.00 175.10 173.78 3b3i s PRO 250 N -1.35 4.17 0.22 4.82 0.02 -1.26 -1.35 135.00 140.27 3b3i s PRO 250 Ca 0.09 2.48 -0.32 0.00 0.02 0.00 0.00 61.00 63.28 3b3i s PRO 250 Cb -0.09 -3.05 -0.13 0.00 0.02 0.00 0.00 34.50 31.24 3b3i s PRO 250 CO 0.02 -0.56 1.56 0.43 -0.33 0.00 0.00 177.00 178.13 3b3i n SER 251 N 2.22 3.35 0.00 2.53 7.64 0.19 -1.39 113.62 128.16 3b3i n SER 251 Ca 0.08 1.11 0.00 0.00 1.01 0.00 0.00 58.87 61.06 3b3i n SER 251 Cb 0.38 -1.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.09 3b3i n SER 251 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3b3i n GLY 252 N 2.90 2.13 1.33 0.23 0.00 -1.26 -4.91 105.19 105.62 3b3i n GLY 252 Ca 0.13 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.25 3b3i n GLY 252 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3b3i n GLU 253 N -2.00 3.24 0.12 1.61 1.02 -0.49 -4.66 120.64 119.48 3b3i n GLU 253 Ca 0.00 -2.69 0.14 0.00 -0.02 0.00 0.00 57.16 54.58 3b3i n GLU 253 Cb 0.00 -1.69 0.65 0.00 -0.02 0.00 0.00 31.44 30.38 3b3i n GLU 253 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3b3i h GLU 254 N 3.72 0.03 0.00 3.49 3.07 -1.91 -1.47 114.58 121.50 3b3i h GLU 254 Ca 0.00 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3b3i h GLU 254 Cb 1.19 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.10 3b3i h GLU 254 CO 0.12 0.02 0.00 1.04 -1.40 0.00 0.00 179.01 178.79 3b3i n GLN 255 N -4.46 0.18 0.00 2.33 1.13 -1.26 -2.49 117.38 112.80 3b3i n GLN 255 Ca 0.03 0.05 0.14 0.00 -1.94 0.00 0.00 57.00 55.28 3b3i n GLN 255 Cb 0.34 -1.50 0.59 0.00 0.11 0.00 0.00 30.24 29.78 3b3i n GLN 255 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3b3i n ARG 256 N -1.40 0.16 -4.26 -1.09 1.74 -0.55 -4.84 116.66 106.42 3b3i n ARG 256 Ca 0.09 -0.03 -0.35 0.00 -0.77 0.00 0.00 57.85 56.80 3b3i n ARG 256 Cb 0.26 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.10 3b3i n ARG 256 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3b3i s TYR 257 N -2.86 3.19 -0.02 -1.55 1.51 -1.04 -0.95 117.35 115.64 3b3i s TYR 257 Ca 0.18 0.11 0.02 0.00 -1.01 0.00 0.00 57.07 56.37 3b3i s TYR 257 Cb 0.19 -1.89 0.00 0.00 -0.11 0.00 0.00 41.96 40.16 3b3i s TYR 257 CO 0.54 0.34 -0.06 0.95 -1.11 0.00 0.00 175.55 176.20 3b3i s THR 258 N -0.42 0.55 -0.14 -0.71 -4.23 -0.28 -4.72 115.64 105.69 3b3i s THR 258 Ca 0.08 -0.24 -0.11 0.00 -1.18 0.00 0.00 61.69 60.24 3b3i s THR 258 Cb -0.12 -0.50 -0.05 0.00 1.34 0.00 0.00 72.50 73.17 3b3i s THR 258 CO 0.02 0.18 0.23 0.00 -0.54 0.00 0.00 174.62 174.51 3b3i s HIS 260 N -0.15 2.70 -0.14 0.00 3.76 0.72 -0.02 115.29 122.16 3b3i s HIS 260 Ca 0.15 -0.95 0.02 0.00 -0.15 0.00 0.00 55.06 54.14 3b3i s HIS 260 Cb -0.13 -1.80 0.01 0.00 1.11 0.00 0.00 32.58 31.77 3b3i s HIS 260 CO 0.04 -0.38 -0.21 0.08 -0.85 0.00 0.00 174.74 173.41 3b3i s VAL 261 N 0.49 2.00 -0.12 -0.90 1.01 -0.06 -1.94 120.40 120.89 3b3i s VAL 261 Ca -0.12 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 60.95 3b3i s VAL 261 Cb -0.17 -1.77 0.01 0.00 0.00 0.00 0.00 36.38 34.45 3b3i s VAL 261 CO 0.05 0.54 -0.21 -1.10 0.00 0.00 0.00 175.10 174.37 3b3i s GLN 262 N 0.89 2.86 -0.26 2.72 -0.21 -0.36 -0.72 119.66 124.58 3b3i s GLN 262 Ca -0.06 -0.80 -0.20 0.00 0.02 0.00 0.00 55.36 54.32 3b3i s GLN 262 Cb -0.15 -2.26 0.07 0.00 1.00 0.00 0.00 33.01 31.67 3b3i s GLN 262 CO -0.03 0.06 0.66 -1.58 -2.12 0.00 0.00 175.29 172.27 3b3i s HIS 263 N 0.65 -0.85 0.51 0.91 2.46 -1.26 -1.26 115.29 116.45 3b3i s HIS 263 Ca -0.12 1.88 0.27 0.00 0.47 0.00 0.00 55.06 57.56 3b3i s HIS 263 Cb -0.16 0.39 1.45 0.00 -0.13 0.00 0.00 32.58 34.13 3b3i s HIS 263 CO 0.03 -0.42 1.80 1.05 -2.47 0.00 0.00 174.74 174.73 3b3i h GLU 264 N 5.93 0.00 -0.00 2.88 4.11 -1.95 0.35 114.58 125.89 3b3i h GLU 264 Ca -0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.13 3b3i h GLU 264 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3b3i h GLU 264 CO 0.13 0.00 -0.02 0.41 0.07 0.00 0.00 179.01 179.59 3b3i n GLY 265 N -1.23 -1.31 3.54 1.06 0.00 -1.26 -4.80 105.19 101.19 3b3i n GLY 265 Ca -0.02 -0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 3b3i n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3b3i s LEU 266 N -2.69 3.37 0.21 0.99 1.43 0.12 -4.41 118.68 117.70 3b3i s LEU 266 Ca 0.24 -0.06 -0.09 0.00 -1.03 0.00 0.00 54.13 53.20 3b3i s LEU 266 Cb 0.20 -1.81 0.16 0.00 0.03 0.00 0.00 46.19 44.77 3b3i s LEU 266 CO 0.49 0.20 1.82 -0.65 0.23 0.00 0.00 176.35 178.44 3b3i h PRO 267 N 6.44 1.13 -4.90 1.29 0.11 -1.87 -3.44 132.00 130.76 3b3i h PRO 267 Ca -0.35 -0.15 -0.37 0.00 0.11 0.00 0.00 66.00 65.24 3b3i h PRO 267 Cb 1.19 -0.21 -0.24 0.00 0.11 0.00 0.00 31.00 31.85 3b3i h PRO 267 CO 0.63 0.85 -0.77 0.15 -0.21 0.00 0.00 178.00 178.65 3b3i s LYS 268 N -5.76 0.71 0.32 1.05 1.02 -1.26 -5.13 119.74 110.69 3b3i s LYS 268 Ca -0.13 -0.67 -0.29 0.00 0.02 0.00 0.00 55.97 54.90 3b3i s LYS 268 Cb 0.15 -0.63 -0.11 0.00 -0.52 0.00 0.00 37.83 36.72 3b3i s LYS 268 CO 0.82 0.15 1.54 -2.14 -0.92 0.00 0.00 175.35 174.79 3b3i s PRO 269 N -1.13 4.13 0.23 -1.68 0.02 -1.26 -4.96 135.00 130.35 3b3i s PRO 269 Ca -0.02 2.55 -0.15 0.00 0.02 0.00 0.00 61.00 63.40 3b3i s PRO 269 Cb -0.08 -3.01 -0.08 0.00 0.02 0.00 0.00 34.50 31.36 3b3i s PRO 269 CO 0.01 -0.57 0.65 -0.51 -0.33 0.00 0.00 177.00 176.25 3b3i s LEU 270 N -1.12 4.23 -0.14 -5.54 1.43 0.10 -4.88 118.68 112.76 3b3i s LEU 270 Ca 0.59 1.19 0.01 0.00 -1.03 0.00 0.00 54.13 54.89 3b3i s LEU 270 Cb -0.47 -3.66 -0.00 0.00 0.03 0.00 0.00 46.19 42.09 3b3i s LEU 270 CO 0.53 -0.04 -0.18 -0.89 0.23 0.00 0.00 176.35 176.01 3b3i s THR 271 N -1.69 2.50 -0.01 5.49 2.01 -1.26 -0.88 115.64 121.80 3b3i s THR 271 Ca 0.46 -0.84 0.07 0.00 0.31 0.00 0.00 61.69 61.69 3b3i s THR 271 Cb -0.13 -2.03 -0.02 0.00 0.01 0.00 0.00 72.50 70.33 3b3i s THR 271 CO 0.19 0.53 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.67 3b3i s LEU 272 N 0.71 2.06 0.21 4.42 1.02 0.97 -4.96 118.68 123.12 3b3i s LEU 272 Ca -0.08 -0.43 0.11 0.00 0.02 0.00 0.00 54.13 53.76 3b3i s LEU 272 Cb -0.16 -1.13 -0.05 0.00 0.02 0.00 0.00 46.19 44.88 3b3i s LEU 272 CO 0.01 0.26 -0.22 -0.13 0.02 0.00 0.00 176.35 176.29 3b3i s ARG 273 N -0.64 1.53 0.06 1.70 0.52 -1.26 -0.56 118.95 120.30 3b3i s ARG 273 Ca 0.09 -1.58 -0.31 0.00 -0.52 0.00 0.00 55.73 53.41 3b3i s ARG 273 Cb -0.09 -1.74 -0.06 0.00 0.52 0.00 0.00 34.95 33.58 3b3i s ARG 273 CO -0.00 0.36 1.33 -0.46 0.02 0.00 0.00 175.30 176.54 3b3i s TRP 274 N -1.98 3.20 -0.48 -0.53 -0.00 -1.26 -4.73 118.94 113.17 3b3i s TRP 274 Ca 0.23 1.03 -0.04 0.00 -0.00 0.00 0.00 56.10 57.32 3b3i s TRP 274 Cb -0.07 -3.59 0.12 0.00 -0.00 0.00 0.00 33.47 29.94 3b3i s TRP 274 CO 0.11 -2.03 0.29 -1.21 -0.00 0.00 0.00 176.95 174.11 3b3i s GLU 275 N 1.45 2.24 0.00 5.86 2.02 -1.26 -4.98 118.70 124.02 3b3i s GLU 275 Ca 0.62 -1.97 0.00 0.00 0.02 0.00 0.00 54.97 53.64 3b3i s GLU 275 Cb -0.33 -3.70 0.00 0.00 0.10 0.00 0.00 34.13 30.20 3b3i s GLU 275 CO 0.29 -1.12 0.32 -2.30 0.02 0.00 0.00 175.26 172.46