#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i1f s SER 2 N 0.00 6.78 0.18 1.61 0.01 -1.26 -3.38 113.70 117.63 1i1f s SER 2 Ca 0.00 0.93 0.09 0.00 1.31 0.00 0.00 55.95 58.28 1i1f s SER 2 Cb 0.00 -2.24 -0.04 0.00 0.21 0.00 0.00 66.02 63.94 1i1f s SER 2 CO 0.00 0.32 -0.19 -1.00 0.41 0.00 0.00 173.24 172.77 1i1f s HIS 3 N -1.00 1.93 0.02 2.43 0.09 -0.05 -4.97 115.29 113.74 1i1f s HIS 3 Ca 0.23 -0.44 -0.01 0.00 -0.00 0.00 0.00 55.06 54.84 1i1f s HIS 3 Cb -0.16 -0.95 -0.02 0.00 -0.00 0.00 0.00 32.58 31.45 1i1f s HIS 3 CO 0.13 0.38 -0.01 -1.54 -0.00 0.00 0.00 174.74 173.70 1i1f s SER 4 N -2.72 0.19 -0.11 1.40 1.04 -1.26 -0.65 113.70 111.59 1i1f s SER 4 Ca 0.17 -0.40 0.02 0.00 0.48 0.00 0.00 55.95 56.23 1i1f s SER 4 Cb -0.06 0.10 0.01 0.00 0.10 0.00 0.00 66.02 66.17 1i1f s SER 4 CO 0.08 -0.26 -0.18 -0.32 0.98 0.00 0.00 173.24 173.54 1i1f s MET 5 N -1.24 2.46 0.02 4.02 1.75 -0.98 -0.55 119.30 124.77 1i1f s MET 5 Ca -0.14 -0.65 0.01 0.00 -1.25 0.00 0.00 55.69 53.66 1i1f s MET 5 Cb -0.08 -2.03 -0.01 0.00 2.84 0.00 0.00 34.83 35.55 1i1f s MET 5 CO -0.01 -0.02 -0.05 1.03 -0.65 0.00 0.00 175.02 175.33 1i1f s ARG 6 N 0.86 0.36 -0.07 4.11 0.52 -0.15 -2.29 118.95 122.28 1i1f s ARG 6 Ca -0.08 -0.42 0.01 0.00 -0.52 0.00 0.00 55.73 54.71 1i1f s ARG 6 Cb -0.15 -0.20 -0.03 0.00 0.52 0.00 0.00 34.95 35.09 1i1f s ARG 6 CO -0.00 0.04 -0.08 0.71 0.02 0.00 0.00 175.30 175.99 1i1f s TYR 7 N -0.77 2.91 -0.18 -0.53 2.02 0.14 -0.98 117.35 119.96 1i1f s TYR 7 Ca -0.06 -0.04 0.01 0.00 -0.37 0.00 0.00 57.07 56.61 1i1f s TYR 7 Cb -0.06 -1.72 0.03 0.00 -0.40 0.00 0.00 41.96 39.81 1i1f s TYR 7 CO -0.00 0.27 -0.15 -0.06 -1.57 0.00 0.00 175.55 174.04 1i1f s PHE 8 N -0.69 2.50 -0.04 2.71 0.08 -0.50 -2.77 117.98 119.27 1i1f s PHE 8 Ca 0.10 -1.52 0.05 0.00 0.12 0.00 0.00 56.93 55.69 1i1f s PHE 8 Cb -0.11 -1.74 -0.02 0.00 -0.57 0.00 0.00 43.02 40.58 1i1f s PHE 8 CO 0.02 -0.75 -0.20 -0.06 -0.10 0.00 0.00 175.22 174.13 1i1f s PHE 9 N 1.38 2.54 -0.04 0.36 0.08 -0.03 -1.03 117.98 121.24 1i1f s PHE 9 Ca 0.03 -0.36 -0.01 0.00 0.12 0.00 0.00 56.93 56.70 1i1f s PHE 9 Cb -0.14 -1.59 0.03 0.00 -0.57 0.00 0.00 43.02 40.75 1i1f s PHE 9 CO -0.11 0.03 0.04 0.99 -0.10 0.00 0.00 175.22 176.08 1i1f s THR 10 N -0.55 -0.03 -0.12 0.64 2.01 -0.41 -1.94 115.64 115.23 1i1f s THR 10 Ca 0.08 0.33 0.02 0.00 0.31 0.00 0.00 61.69 62.43 1i1f s THR 10 Cb -0.11 -0.18 0.01 0.00 0.01 0.00 0.00 72.50 72.23 1i1f s THR 10 CO 0.01 0.17 -0.16 -0.55 -0.69 0.00 0.00 174.62 173.39 1i1f s SER 11 N 1.85 2.56 -0.10 3.53 0.15 -0.69 -0.89 113.70 120.11 1i1f s SER 11 Ca 0.01 -0.46 -0.00 0.00 0.70 0.00 0.00 55.95 56.20 1i1f s SER 11 Cb -0.12 -1.15 0.02 0.00 -1.71 0.00 0.00 66.02 63.06 1i1f s SER 11 CO -0.03 0.02 -0.07 -0.69 1.20 0.00 0.00 173.24 173.66 1i1f s VAL 12 N 1.02 0.94 0.41 4.45 1.01 -0.64 -0.53 120.40 127.05 1i1f s VAL 12 Ca -0.05 -0.26 -0.18 0.00 0.00 0.00 0.00 61.98 61.49 1i1f s VAL 12 Cb -0.15 -0.96 -0.10 0.00 0.00 0.00 0.00 36.38 35.18 1i1f s VAL 12 CO -0.03 0.35 0.88 -0.94 0.00 0.00 0.00 175.10 175.36 1i1f s SER 13 N 1.55 6.81 -0.54 3.32 1.04 -0.70 -0.32 113.70 124.86 1i1f s SER 13 Ca 0.01 1.51 0.05 0.00 0.48 0.00 0.00 55.95 58.00 1i1f s SER 13 Cb -0.13 -2.47 0.18 0.00 0.10 0.00 0.00 66.02 63.71 1i1f s SER 13 CO -0.06 -0.35 0.45 0.54 0.98 0.00 0.00 173.24 174.81 1i1f n ARG 14 N -0.73 1.06 -1.55 4.02 1.74 -1.26 -4.31 116.66 115.63 1i1f n ARG 14 Ca 0.06 -3.81 -0.60 0.00 -0.77 0.00 0.00 57.85 52.73 1i1f n ARG 14 Cb 0.54 -1.91 -0.09 0.00 -1.02 0.00 0.00 32.46 29.97 1i1f n ARG 14 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1i1f n PRO 15 N 2.20 0.53 -0.91 5.56 -0.04 -1.26 -0.27 135.00 140.81 1i1f n PRO 15 Ca 0.25 0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.89 1i1f n PRO 15 Cb 0.43 -1.85 0.00 0.00 -0.04 0.00 0.00 33.50 32.04 1i1f n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1i1f n GLY 16 N 5.49 0.36 0.55 0.55 0.00 -1.26 -4.83 105.19 106.05 1i1f n GLY 16 Ca 0.38 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.48 1i1f n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i1f n ARG 17 N -1.42 2.42 0.00 1.61 1.74 0.63 -5.10 116.66 116.54 1i1f n ARG 17 Ca 0.00 -2.59 0.00 0.00 -0.77 0.00 0.00 57.85 54.49 1i1f n ARG 17 Cb 0.15 -1.62 0.00 0.00 -1.02 0.00 0.00 32.46 29.97 1i1f n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1i1f n GLY 18 N -0.69 -2.01 3.47 -0.13 0.00 -1.23 -4.99 105.19 99.61 1i1f n GLY 18 Ca 0.17 -2.13 -0.35 0.00 0.00 0.00 0.00 46.02 43.71 1i1f n GLY 18 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1i1f n GLU 19 N -0.08 0.18 -1.07 1.61 -0.58 -1.26 -4.44 120.64 115.00 1i1f n GLU 19 Ca 0.00 0.11 -0.32 0.00 -0.42 0.00 0.00 57.16 56.53 1i1f n GLU 19 Cb 0.00 -1.88 0.13 0.00 -0.57 0.00 0.00 31.44 29.12 1i1f n GLU 19 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1i1f s PRO 20 N -3.03 1.65 0.17 3.49 0.05 -1.26 -4.64 135.00 131.43 1i1f s PRO 20 Ca 0.64 1.55 -0.25 0.00 0.05 0.00 0.00 61.00 62.99 1i1f s PRO 20 Cb -0.32 -1.80 -0.08 0.00 0.05 0.00 0.00 34.50 32.36 1i1f s PRO 20 CO 0.59 -2.16 0.78 0.50 0.05 0.00 0.00 177.00 176.76 1i1f s ARG 21 N -4.43 4.57 -0.20 4.56 6.06 0.56 -4.90 118.95 125.18 1i1f s ARG 21 Ca 0.68 1.16 -0.03 0.00 -2.50 0.00 0.00 55.73 55.04 1i1f s ARG 21 Cb -0.24 -3.26 0.06 0.00 0.06 0.00 0.00 34.95 31.57 1i1f s ARG 21 CO 0.53 0.57 0.05 0.12 -2.50 0.00 0.00 175.30 174.07 1i1f s PHE 22 N -1.14 0.97 -0.09 5.12 5.36 -1.26 -1.63 117.98 125.31 1i1f s PHE 22 Ca 0.36 -0.85 0.00 0.00 -0.96 0.00 0.00 56.93 55.48 1i1f s PHE 22 Cb -0.23 -1.02 -0.03 0.00 -0.34 0.00 0.00 43.02 41.40 1i1f s PHE 22 CO 0.26 -0.62 -0.07 0.42 -1.46 0.00 0.00 175.22 173.75 1i1f s ILE 23 N 1.88 3.67 -0.04 3.12 -1.09 -0.07 -1.08 121.20 127.60 1i1f s ILE 23 Ca -0.00 -0.48 0.02 0.00 -2.23 0.00 0.00 60.65 57.96 1i1f s ILE 23 Cb -0.17 -2.52 0.01 0.00 -1.58 0.00 0.00 42.46 38.20 1i1f s ILE 23 CO -0.09 0.58 -0.08 0.00 -1.23 0.00 0.00 174.94 174.12 1i1f s ALA 24 N -0.55 0.82 0.15 9.38 0.00 0.80 -1.29 121.76 131.08 1i1f s ALA 24 Ca 0.08 -0.23 0.06 0.00 0.00 0.00 0.00 51.96 51.87 1i1f s ALA 24 Cb -0.12 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 1i1f s ALA 24 CO 0.02 0.08 -0.12 0.14 0.00 0.00 0.00 175.76 175.88 1i1f s VAL 25 N 0.51 1.35 -0.03 0.00 -7.23 -0.19 -1.44 120.40 113.37 1i1f s VAL 25 Ca -0.08 -1.99 0.01 0.00 -1.81 0.00 0.00 61.98 58.11 1i1f s VAL 25 Cb -0.12 -1.79 0.02 0.00 0.56 0.00 0.00 36.38 35.05 1i1f s VAL 25 CO 0.01 -0.61 -0.02 -0.83 -0.31 0.00 0.00 175.10 173.34 1i1f s GLY 26 N -2.98 0.27 0.22 2.32 0.00 -0.91 -1.41 107.32 104.83 1i1f s GLY 26 Ca 0.16 0.03 0.11 0.00 0.00 0.00 0.00 44.72 45.02 1i1f s GLY 26 CO 0.03 0.36 -0.22 -0.19 0.00 0.00 0.00 173.10 173.08 1i1f s TYR 27 N 0.69 2.21 -0.35 1.90 1.51 -0.15 -0.65 117.35 122.50 1i1f s TYR 27 Ca -0.07 -0.37 0.01 0.00 -1.01 0.00 0.00 57.07 55.63 1i1f s TYR 27 Cb -0.11 -1.05 0.11 0.00 -0.11 0.00 0.00 41.96 40.80 1i1f s TYR 27 CO -0.01 0.54 0.10 0.08 -1.11 0.00 0.00 175.55 175.15 1i1f s VAL 28 N -2.04 1.52 0.00 0.71 1.01 -0.00 -0.98 120.40 120.63 1i1f s VAL 28 Ca 0.23 -1.96 0.00 0.00 0.00 0.00 0.00 61.98 60.25 1i1f s VAL 28 Cb -0.06 -2.13 0.00 0.00 0.00 0.00 0.00 36.38 34.19 1i1f s VAL 28 CO 0.11 -0.68 0.00 0.47 0.00 0.00 0.00 175.10 175.00 1i1f n ASP 29 N 4.40 0.00 -0.60 3.32 8.00 0.29 -1.80 116.55 130.16 1i1f n ASP 29 Ca 0.02 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.56 1i1f n ASP 29 Cb 0.41 0.00 0.13 0.00 -0.02 0.00 0.00 41.12 41.64 1i1f n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1i1f n ASP 30 N 3.52 1.72 -4.43 -2.24 8.00 -1.26 -4.83 116.55 117.03 1i1f n ASP 30 Ca 0.00 -2.05 -0.34 0.00 0.71 0.00 0.00 54.79 53.11 1i1f n ASP 30 Cb 0.00 -0.25 -0.13 0.00 -0.02 0.00 0.00 41.12 40.72 1i1f n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1i1f s THR 31 N -1.63 3.56 -0.08 -3.53 2.01 -0.74 -4.99 115.64 110.24 1i1f s THR 31 Ca 0.19 -0.47 -0.25 0.00 0.31 0.00 0.00 61.69 61.47 1i1f s THR 31 Cb 0.11 -2.55 -0.03 0.00 0.01 0.00 0.00 72.50 70.04 1i1f s THR 31 CO 0.12 0.49 0.79 -1.58 -0.69 0.00 0.00 174.62 173.75 1i1f s GLN 32 N 0.54 4.43 -0.07 4.92 0.74 -1.26 -0.82 119.66 128.14 1i1f s GLN 32 Ca -0.05 1.03 0.10 0.00 0.05 0.00 0.00 55.36 56.49 1i1f s GLN 32 Cb -0.15 -3.48 -0.15 0.00 1.10 0.00 0.00 33.01 30.33 1i1f s GLN 32 CO 0.03 -0.06 0.12 1.97 -0.55 0.00 0.00 175.29 176.80 1i1f n PHE 33 N 4.18 0.00 -3.96 1.67 -1.74 0.17 -3.87 117.46 113.91 1i1f n PHE 33 Ca 0.02 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.82 1i1f n PHE 33 Cb 0.51 -0.41 -0.08 0.00 1.52 0.00 0.00 39.48 41.02 1i1f n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1i1f s VAL 34 N -2.47 0.13 0.12 1.97 -7.23 -1.22 0.11 120.40 111.81 1i1f s VAL 34 Ca -0.05 -1.43 -0.08 0.00 -1.81 0.00 0.00 61.98 58.61 1i1f s VAL 34 Cb 0.05 -1.58 -0.01 0.00 0.56 0.00 0.00 36.38 35.40 1i1f s VAL 34 CO 0.44 -0.60 0.21 0.00 -0.31 0.00 0.00 175.10 174.84 1i1f s ARG 35 N -3.92 0.97 -0.04 4.82 1.70 -0.18 -2.14 118.95 120.16 1i1f s ARG 35 Ca 0.11 -1.10 -0.02 0.00 -0.47 0.00 0.00 55.73 54.25 1i1f s ARG 35 Cb 0.05 0.34 0.03 0.00 -0.57 0.00 0.00 34.95 34.80 1i1f s ARG 35 CO -0.07 -0.32 0.08 0.12 -1.08 0.00 0.00 175.30 174.04 1i1f s PHE 36 N -3.92 -0.07 -0.08 5.89 5.36 -0.52 -0.49 117.98 124.15 1i1f s PHE 36 Ca 0.11 0.28 -0.02 0.00 -0.96 0.00 0.00 56.93 56.34 1i1f s PHE 36 Cb 0.05 -0.10 0.03 0.00 -0.34 0.00 0.00 43.02 42.66 1i1f s PHE 36 CO -0.05 -0.10 0.04 0.34 -1.46 0.00 0.00 175.22 173.98 1i1f s ASP 37 N 0.78 1.57 0.28 6.13 -1.08 -1.26 -0.14 116.67 122.96 1i1f s ASP 37 Ca -0.06 -0.12 0.20 0.00 -0.52 0.00 0.00 52.55 52.04 1i1f s ASP 37 Cb -0.09 -0.30 1.04 0.00 -1.46 0.00 0.00 42.92 42.12 1i1f s ASP 37 CO -0.03 -0.24 1.60 -1.54 0.52 0.00 0.00 175.17 175.48 1i1f n SER 38 N 5.22 0.51 -0.73 -0.34 3.41 -0.24 0.41 113.62 121.86 1i1f n SER 38 Ca -0.05 0.73 0.08 0.00 -0.26 0.00 0.00 58.87 59.37 1i1f n SER 38 Cb 0.50 -0.80 0.11 0.00 -0.26 0.00 0.00 64.21 63.76 1i1f n SER 38 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1i1f n ASP 39 N -2.18 2.62 -4.86 4.04 9.92 -1.26 -4.92 116.55 119.91 1i1f n ASP 39 Ca -0.01 -1.76 -0.31 0.00 -0.53 0.00 0.00 54.79 52.18 1i1f n ASP 39 Cb 0.05 -0.08 0.03 0.00 -0.64 0.00 0.00 41.12 40.47 1i1f n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1i1f s ALA 40 N -1.29 2.94 -0.06 2.24 0.00 0.17 -4.99 121.76 120.76 1i1f s ALA 40 Ca 0.23 -0.09 -0.26 0.00 0.00 0.00 0.00 51.96 51.83 1i1f s ALA 40 Cb 0.15 -3.09 -0.23 0.00 0.00 0.00 0.00 23.12 19.95 1i1f s ALA 40 CO 0.21 -0.92 1.05 0.00 0.00 0.00 0.00 175.76 176.11 1i1f h ALA 41 N -0.49 0.02 -0.43 0.00 0.00 -1.95 -3.36 119.26 113.05 1i1f h ALA 41 Ca -0.44 -0.38 0.07 0.00 0.00 0.00 0.00 54.91 54.15 1i1f h ALA 41 Cb 1.21 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.91 1i1f h ALA 41 CO 0.61 -0.08 -0.48 0.66 0.00 0.00 0.00 179.25 179.96 1i1f h SER 42 N -0.64 -1.60 0.00 0.00 4.64 -1.95 -3.46 113.55 110.55 1i1f h SER 42 Ca -0.01 0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1i1f h SER 42 Cb 0.78 0.68 0.00 0.00 -0.31 0.00 0.00 62.40 63.55 1i1f h SER 42 CO 0.01 -0.38 0.00 0.00 -0.87 0.00 0.00 176.83 175.59 1i1f n GLN 43 N -5.40 0.00 -4.26 4.77 1.13 -1.26 -5.04 117.38 107.32 1i1f n GLN 43 Ca -0.01 0.01 -0.14 0.00 -1.94 0.00 0.00 57.00 54.91 1i1f n GLN 43 Cb 0.35 -3.07 -0.10 0.00 0.11 0.00 0.00 30.24 27.53 1i1f n GLN 43 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1i1f s ARG 44 N -3.60 1.24 -0.02 -1.09 0.52 -1.26 -5.05 118.95 109.69 1i1f s ARG 44 Ca 0.00 -1.64 -0.30 0.00 -0.52 0.00 0.00 55.73 53.27 1i1f s ARG 44 Cb 0.00 -0.12 -0.04 0.00 0.52 0.00 0.00 34.95 35.31 1i1f s ARG 44 CO 0.00 -0.26 1.24 1.41 0.02 0.00 0.00 175.30 177.71 1i1f s MET 45 N -4.02 4.35 0.14 3.54 -2.45 -1.26 -4.69 119.30 114.91 1i1f s MET 45 Ca 0.33 1.76 0.07 0.00 -1.25 0.00 0.00 55.69 56.59 1i1f s MET 45 Cb 0.07 -3.52 -0.04 0.00 1.25 0.00 0.00 34.83 32.59 1i1f s MET 45 CO 0.09 -0.44 -0.01 -1.21 1.05 0.00 0.00 175.02 174.50 1i1f s GLU 46 N 2.02 2.41 0.23 4.11 2.02 0.36 -4.93 118.70 124.92 1i1f s GLU 46 Ca 0.58 -1.01 -0.25 0.00 0.02 0.00 0.00 54.97 54.31 1i1f s GLU 46 Cb -0.27 -2.41 -0.09 0.00 0.10 0.00 0.00 34.13 31.47 1i1f s GLU 46 CO 0.24 0.49 0.83 -1.25 0.02 0.00 0.00 175.26 175.59 1i1f s PRO 47 N -2.66 4.54 0.00 0.39 0.04 -1.26 -1.01 135.00 135.04 1i1f s PRO 47 Ca 0.26 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.48 1i1f s PRO 47 Cb -0.10 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.36 1i1f s PRO 47 CO 0.18 0.46 0.39 0.54 0.04 0.00 0.00 177.00 178.61 1i1f n ARG 48 N 1.14 -0.21 -4.54 4.56 5.12 0.31 -4.83 116.66 118.22 1i1f n ARG 48 Ca -0.03 -0.45 -0.21 0.00 -1.93 0.00 0.00 57.85 55.24 1i1f n ARG 48 Cb 0.49 -0.81 -0.15 0.00 -1.16 0.00 0.00 32.46 30.83 1i1f n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1i1f s ALA 49 N -0.10 1.04 0.35 7.54 0.00 -1.05 -4.73 121.76 124.81 1i1f s ALA 49 Ca 0.00 -0.56 0.07 0.00 0.00 0.00 0.00 51.96 51.47 1i1f s ALA 49 Cb 0.00 -0.26 0.76 0.00 0.00 0.00 0.00 23.12 23.62 1i1f s ALA 49 CO 0.00 0.25 1.91 -1.00 0.00 0.00 0.00 175.76 176.92 1i1f h PRO 50 N 5.76 0.73 0.00 0.00 0.13 -1.93 -2.06 132.00 134.63 1i1f h PRO 50 Ca -0.33 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1i1f h PRO 50 Cb 1.17 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1i1f h PRO 50 CO 0.49 0.48 0.00 -2.67 -0.23 0.00 0.00 178.00 176.07 1i1f n TRP 51 N -4.52 0.00 0.28 1.56 4.27 -1.26 -2.64 117.44 115.12 1i1f n TRP 51 Ca 0.15 0.00 0.08 0.00 -3.89 0.00 0.00 57.50 53.84 1i1f n TRP 51 Cb 0.35 -0.03 -0.12 0.00 -1.36 0.00 0.00 31.31 30.16 1i1f n TRP 51 CO 0.00 0.00 0.00 1.51 -2.29 0.00 0.00 177.69 176.91 1i1f n ILE 52 N -1.03 0.00 0.28 -1.67 0.13 -0.78 -4.30 119.36 112.00 1i1f n ILE 52 Ca 0.19 -0.29 0.17 0.00 -1.10 0.00 0.00 62.75 61.73 1i1f n ILE 52 Cb 0.10 0.44 0.95 0.00 -0.84 0.00 0.00 39.64 40.29 1i1f n ILE 52 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 1i1f h GLU 53 N 0.00 0.00 0.00 9.51 5.08 -1.50 0.38 114.58 128.05 1i1f h GLU 53 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1i1f h GLU 53 Cb 0.63 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 1i1f h GLU 53 CO 0.00 0.00 -0.03 -0.56 -1.00 0.00 0.00 179.01 177.42 1i1f h GLN 54 N 0.00 0.00 -6.95 2.33 3.07 -1.75 -3.45 115.11 108.36 1i1f h GLN 54 Ca 0.02 0.00 -0.55 0.00 0.09 0.00 0.00 58.65 58.22 1i1f h GLN 54 Cb 0.16 0.00 0.12 0.00 0.08 0.00 0.00 27.48 27.84 1i1f h GLN 54 CO -0.00 0.03 0.71 0.39 0.09 0.00 0.00 178.83 180.05 1i1f n GLU 55 N -3.14 2.40 -1.13 0.06 -0.58 0.13 -4.98 120.64 113.41 1i1f n GLU 55 Ca 0.00 0.85 -0.29 0.00 -0.42 0.00 0.00 57.16 57.30 1i1f n GLU 55 Cb 0.31 -2.63 0.19 0.00 -0.57 0.00 0.00 31.44 28.75 1i1f n GLU 55 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1i1f s GLY 56 N -0.34 1.56 0.47 0.62 0.00 -1.26 -4.88 107.32 103.49 1i1f s GLY 56 Ca 0.58 -0.44 0.18 0.00 0.00 0.00 0.00 44.72 45.04 1i1f s GLY 56 CO 0.60 0.22 1.98 -2.55 0.00 0.00 0.00 173.10 173.35 1i1f h PRO 57 N -2.04 0.25 -0.33 2.90 0.10 -1.98 -2.75 132.00 128.16 1i1f h PRO 57 Ca -0.55 -0.02 -0.05 0.00 0.10 0.00 0.00 66.00 65.49 1i1f h PRO 57 Cb 1.33 -0.06 -0.01 0.00 0.10 0.00 0.00 31.00 32.36 1i1f h PRO 57 CO 0.55 0.17 0.02 1.49 0.10 0.00 0.00 178.00 180.33 1i1f h GLU 58 N 0.26 0.57 -0.02 1.05 4.57 -1.98 -1.64 114.58 117.39 1i1f h GLU 58 Ca 0.28 -0.17 0.03 0.00 -1.18 0.00 0.00 59.36 58.32 1i1f h GLU 58 Cb 0.74 -0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 29.22 1i1f h GLU 58 CO -0.06 0.68 -0.27 -0.92 -1.18 0.00 0.00 179.01 177.26 1i1f h TYR 59 N 0.38 -0.73 -0.88 0.92 3.20 -1.85 0.22 116.97 118.23 1i1f h TYR 59 Ca 0.10 0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.02 1i1f h TYR 59 Cb 0.41 0.33 -0.05 0.00 1.54 0.00 0.00 36.73 38.96 1i1f h TYR 59 CO 0.03 -0.36 0.58 -1.49 -1.64 0.00 0.00 178.16 175.28 1i1f h TRP 60 N -0.40 1.07 0.32 -3.82 4.06 -1.57 0.22 115.95 115.81 1i1f h TRP 60 Ca 0.07 0.03 -0.02 0.00 2.06 0.00 0.00 58.89 61.03 1i1f h TRP 60 Cb 0.50 -0.36 0.00 0.00 -1.00 0.00 0.00 29.16 28.31 1i1f h TRP 60 CO -0.31 0.62 -0.15 -0.44 -3.56 0.00 0.00 178.44 174.60 1i1f h ASP 61 N 1.11 -0.36 -0.00 -3.49 5.19 -0.84 -1.34 116.42 116.67 1i1f h ASP 61 Ca 0.35 -0.10 -0.06 0.00 -0.62 0.00 0.00 57.03 56.59 1i1f h ASP 61 Cb 0.01 0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.60 1i1f h ASP 61 CO -0.10 -0.11 -0.16 1.23 -3.12 0.00 0.00 179.24 176.99 1i1f h GLY 62 N -0.62 0.34 2.00 2.75 0.00 -0.23 -1.51 103.07 105.80 1i1f h GLY 62 Ca -0.04 -0.23 -0.18 0.00 0.00 0.00 0.00 47.33 46.88 1i1f h GLY 62 CO 0.07 0.21 -0.87 0.83 0.00 0.00 0.00 176.54 176.78 1i1f h GLU 63 N 0.29 0.00 -0.05 4.80 4.39 -0.58 -2.03 114.58 121.41 1i1f h GLU 63 Ca 0.06 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.61 1i1f h GLU 63 Cb 0.45 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 1i1f h GLU 63 CO 0.03 0.87 -0.64 1.15 -1.16 0.00 0.00 179.01 179.26 1i1f h THR 64 N 0.00 1.41 0.22 1.13 2.02 -0.93 -0.58 112.91 116.19 1i1f h THR 64 Ca -0.01 -2.10 -0.01 0.00 0.77 0.00 0.00 66.41 65.06 1i1f h THR 64 Cb 1.55 2.09 0.00 0.00 -1.74 0.00 0.00 68.15 70.06 1i1f h THR 64 CO 0.11 0.61 -0.11 -0.09 0.37 0.00 0.00 175.52 176.42 1i1f h ARG 65 N 0.13 -0.29 -0.51 6.66 2.43 -1.16 -2.96 114.38 118.68 1i1f h ARG 65 Ca -0.01 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 1i1f h ARG 65 Cb 1.16 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.75 1i1f h ARG 65 CO 0.10 0.02 0.24 0.87 -1.51 0.00 0.00 179.97 179.68 1i1f h LYS 66 N -0.62 0.73 -0.94 0.20 1.57 -1.39 -2.23 116.57 113.89 1i1f h LYS 66 Ca -0.03 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 1i1f h LYS 66 Cb 0.45 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.58 1i1f h LYS 66 CO 0.05 0.62 0.55 -0.24 -0.57 0.00 0.00 179.45 179.86 1i1f h VAL 67 N 0.67 1.26 0.00 0.50 3.04 -1.13 -0.67 116.25 119.92 1i1f h VAL 67 Ca 0.17 -0.59 0.00 0.00 -1.01 0.00 0.00 66.70 65.28 1i1f h VAL 67 Cb 0.13 -0.05 0.00 0.00 -2.01 0.00 0.00 31.29 29.36 1i1f h VAL 67 CO -0.02 0.28 -0.27 0.07 -1.01 0.00 0.00 177.57 176.61 1i1f h LYS 68 N 1.30 0.00 0.54 4.17 2.10 -1.48 -2.06 116.57 121.14 1i1f h LYS 68 Ca 0.34 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.96 1i1f h LYS 68 Cb -0.04 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.30 1i1f h LYS 68 CO -0.06 0.00 -0.26 0.00 -2.00 0.00 0.00 179.45 177.13 1i1f h ALA 69 N 2.05 -0.72 -0.51 0.07 0.00 -0.70 -0.08 119.26 119.38 1i1f h ALA 69 Ca 0.00 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 54.84 1i1f h ALA 69 Cb 0.97 0.28 -0.10 0.00 0.00 0.00 0.00 17.79 18.94 1i1f h ALA 69 CO 0.00 -0.86 -0.21 0.45 0.00 0.00 0.00 179.25 178.63 1i1f h HIS 70 N -0.81 -0.52 -0.38 0.00 3.86 -1.16 -0.55 115.15 115.58 1i1f h HIS 70 Ca -0.07 0.05 0.07 0.00 -1.16 0.00 0.00 60.37 59.26 1i1f h HIS 70 Cb 0.59 0.31 -0.09 0.00 1.06 0.00 0.00 27.41 29.28 1i1f h HIS 70 CO -0.02 -0.30 -0.38 1.03 0.86 0.00 0.00 177.93 179.13 1i1f h SER 71 N -0.09 -1.24 -0.15 2.45 0.87 -1.07 0.20 113.55 114.51 1i1f h SER 71 Ca 0.24 0.20 0.03 0.00 -1.23 0.00 0.00 61.79 61.03 1i1f h SER 71 Cb 0.46 0.56 -0.03 0.00 -0.44 0.00 0.00 62.40 62.96 1i1f h SER 71 CO -0.57 -0.35 -0.02 1.56 -0.53 0.00 0.00 176.83 176.92 1i1f h GLN 72 N -0.30 0.03 -0.81 2.24 1.08 -0.01 -0.60 115.11 116.73 1i1f h GLN 72 Ca 0.15 -0.00 0.18 0.00 -1.45 0.00 0.00 58.65 57.53 1i1f h GLN 72 Cb 0.57 -0.01 -0.11 0.00 -0.05 0.00 0.00 27.48 27.88 1i1f h GLN 72 CO -0.54 0.02 0.29 1.15 -0.95 0.00 0.00 178.83 178.80 1i1f h THR 73 N 0.03 0.53 0.00 -0.54 2.02 -0.41 0.41 112.91 114.95 1i1f h THR 73 Ca 0.07 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1i1f h THR 73 Cb 0.09 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.64 1i1f h THR 73 CO -0.13 0.07 0.00 0.45 0.37 0.00 0.00 175.52 176.28 1i1f h HIS 74 N 0.37 0.00 0.03 3.16 3.86 0.44 -0.03 115.15 122.98 1i1f h HIS 74 Ca 0.47 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 59.46 1i1f h HIS 74 Cb 0.83 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.28 1i1f h HIS 74 CO -0.19 0.00 -1.04 -0.09 0.86 0.00 0.00 177.93 177.47 1i1f h ARG 75 N 0.00 0.09 0.10 2.45 2.43 0.13 -2.79 114.38 116.78 1i1f h ARG 75 Ca 0.00 -0.14 -0.26 0.00 -0.81 0.00 0.00 59.98 58.77 1i1f h ARG 75 Cb 0.52 0.05 0.01 0.00 -0.42 0.00 0.00 29.97 30.12 1i1f h ARG 75 CO 0.00 1.04 -1.16 0.28 -1.51 0.00 0.00 179.97 178.62 1i1f h VAL 76 N 0.03 1.44 -0.57 0.20 2.07 -1.00 -3.27 116.25 115.14 1i1f h VAL 76 Ca -0.04 -2.81 0.00 0.00 0.82 0.00 0.00 66.70 64.67 1i1f h VAL 76 Cb 1.78 2.77 -0.03 0.00 -1.52 0.00 0.00 31.29 34.29 1i1f h VAL 76 CO 0.15 0.83 0.37 0.44 0.02 0.00 0.00 177.57 179.38 1i1f h ASP 77 N 0.14 0.67 -0.90 0.57 3.32 -0.98 -1.22 116.42 118.02 1i1f h ASP 77 Ca -0.13 -0.03 0.12 0.00 0.02 0.00 0.00 57.03 57.02 1i1f h ASP 77 Cb 1.86 -0.17 -0.08 0.00 0.22 0.00 0.00 39.33 41.15 1i1f h ASP 77 CO 0.20 0.49 0.52 -0.07 -1.72 0.00 0.00 179.24 178.66 1i1f h LEU 78 N 0.78 0.71 -0.72 1.55 3.38 -1.54 -2.07 115.31 117.40 1i1f h LEU 78 Ca 0.21 0.06 -0.14 0.00 0.09 0.00 0.00 57.88 58.11 1i1f h LEU 78 Cb -0.07 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1i1f h LEU 78 CO -0.04 0.36 -0.52 1.23 0.09 0.00 0.00 178.44 179.55 1i1f h GLY 79 N 0.80 0.35 0.44 0.83 0.00 -1.34 -2.95 103.07 101.20 1i1f h GLY 79 Ca 0.46 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 47.38 1i1f h GLY 79 CO -0.30 0.35 -0.07 -0.84 0.00 0.00 0.00 176.54 175.68 1i1f h THR 80 N 0.25 1.49 -0.87 4.70 2.02 -0.73 -2.58 112.91 117.18 1i1f h THR 80 Ca 0.01 -1.54 0.06 0.00 0.77 0.00 0.00 66.41 65.70 1i1f h THR 80 Cb 1.00 2.47 -0.06 0.00 -1.74 0.00 0.00 68.15 69.82 1i1f h THR 80 CO 0.09 0.41 0.57 -0.07 0.37 0.00 0.00 175.52 176.89 1i1f h LEU 81 N -0.51 0.88 -0.24 2.58 4.07 -1.52 0.56 115.31 121.12 1i1f h LEU 81 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1i1f h LEU 81 Cb 0.71 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 42.25 1i1f h LEU 81 CO 0.02 0.57 0.16 -0.09 -1.08 0.00 0.00 178.44 178.01 1i1f h ARG 82 N 1.00 0.32 -0.35 1.13 2.43 -1.54 0.53 114.38 117.90 1i1f h ARG 82 Ca 0.37 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.46 1i1f h ARG 82 Cb 0.17 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1i1f h ARG 82 CO -0.13 0.22 -0.02 0.78 -1.51 0.00 0.00 179.97 179.31 1i1f h GLY 83 N 0.32 0.68 0.89 2.80 0.00 -0.57 0.23 103.07 107.42 1i1f h GLY 83 Ca 0.09 -0.51 0.02 0.00 0.00 0.00 0.00 47.33 46.93 1i1f h GLY 83 CO -0.02 0.47 0.37 -0.97 0.00 0.00 0.00 176.54 176.39 1i1f h TYR 84 N 0.43 0.69 -0.27 5.60 0.05 0.47 -2.03 116.97 121.92 1i1f h TYR 84 Ca 0.10 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.90 1i1f h TYR 84 Cb 0.48 -0.23 0.00 0.00 1.01 0.00 0.00 36.73 38.00 1i1f h TYR 84 CO 0.04 0.40 0.00 0.66 -1.05 0.00 0.00 178.16 178.21 1i1f n TYR 85 N -4.73 0.34 -3.59 4.88 4.01 0.18 -4.94 117.16 113.32 1i1f n TYR 85 Ca 0.05 -0.17 -0.20 0.00 -0.16 0.00 0.00 57.90 57.41 1i1f n TYR 85 Cb 0.07 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.15 1i1f n TYR 85 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1i1f n ASN 86 N 0.84 -2.33 -4.89 7.72 5.15 0.46 -4.96 115.26 117.26 1i1f n ASN 86 Ca 0.17 -0.78 -0.33 0.00 -0.60 0.00 0.00 54.58 53.04 1i1f n ASN 86 Cb 0.45 -4.38 -0.05 0.00 -0.53 0.00 0.00 39.78 35.27 1i1f n ASN 86 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1i1f s GLN 87 N -5.65 3.57 1.01 1.20 -0.21 0.53 -5.02 119.66 115.08 1i1f s GLN 87 Ca 0.09 -0.13 -0.13 0.00 0.02 0.00 0.00 55.36 55.22 1i1f s GLN 87 Cb -0.02 -3.01 0.14 0.00 1.00 0.00 0.00 33.01 31.11 1i1f s GLN 87 CO 0.79 0.60 0.72 0.45 -2.12 0.00 0.00 175.29 175.72 1i1f n SER 88 N 0.73 -1.23 -1.08 5.90 2.88 -1.26 -4.80 113.62 114.76 1i1f n SER 88 Ca -0.08 0.20 0.12 0.00 -1.33 0.00 0.00 58.87 57.78 1i1f n SER 88 Cb 0.52 -1.27 0.21 0.00 -0.75 0.00 0.00 64.21 62.92 1i1f n SER 88 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1i1f n GLU 89 N -3.28 2.42 0.05 -1.46 2.13 -1.26 -4.06 120.64 115.19 1i1f n GLU 89 Ca 0.07 -2.14 -0.06 0.00 0.66 0.00 0.00 57.16 55.69 1i1f n GLU 89 Cb 0.54 -1.50 -0.11 0.00 0.27 0.00 0.00 31.44 30.65 1i1f n GLU 89 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1i1f h ALA 90 N 4.52 0.48 -2.96 4.31 0.00 -1.99 -3.45 119.26 120.17 1i1f h ALA 90 Ca 0.00 -0.96 -0.66 0.00 0.00 0.00 0.00 54.91 53.30 1i1f h ALA 90 Cb 0.95 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.64 1i1f h ALA 90 CO 0.00 1.23 -0.54 0.20 0.00 0.00 0.00 179.25 180.13 1i1f s GLY 91 N -4.76 2.06 0.29 0.00 0.00 -1.26 -4.63 107.32 99.03 1i1f s GLY 91 Ca 0.00 -0.79 -0.29 0.00 0.00 0.00 0.00 44.72 43.64 1i1f s GLY 91 CO 0.81 -0.63 1.34 -0.45 0.00 0.00 0.00 173.10 174.18 1i1f s SER 92 N -1.53 6.76 0.17 1.64 0.15 -1.26 -4.86 113.70 114.77 1i1f s SER 92 Ca 0.21 2.64 0.08 0.00 0.70 0.00 0.00 55.95 59.58 1i1f s SER 92 Cb -0.12 -2.64 -0.04 0.00 -1.71 0.00 0.00 66.02 61.51 1i1f s SER 92 CO 0.11 -0.57 -0.16 -1.00 1.20 0.00 0.00 173.24 172.82 1i1f s HIS 93 N -0.67 1.71 -0.08 3.44 3.76 -1.26 -4.94 115.29 117.26 1i1f s HIS 93 Ca 0.53 -0.52 0.04 0.00 -0.15 0.00 0.00 55.06 54.96 1i1f s HIS 93 Cb -0.40 -0.84 -0.00 0.00 1.11 0.00 0.00 32.58 32.45 1i1f s HIS 93 CO 0.48 0.31 -0.22 0.99 -0.85 0.00 0.00 174.74 175.45 1i1f s THR 94 N -2.43 1.91 0.02 1.30 2.01 -1.26 -1.73 115.64 115.46 1i1f s THR 94 Ca 0.17 -0.95 0.05 0.00 0.31 0.00 0.00 61.69 61.27 1i1f s THR 94 Cb -0.04 -1.64 -0.03 0.00 0.01 0.00 0.00 72.50 70.80 1i1f s THR 94 CO 0.06 0.53 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.72 1i1f s VAL 95 N 0.20 3.30 -0.04 3.82 1.01 0.32 0.63 120.40 129.62 1i1f s VAL 95 Ca -0.13 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 60.88 1i1f s VAL 95 Cb -0.16 -2.42 0.02 0.00 0.00 0.00 0.00 36.38 33.82 1i1f s VAL 95 CO 0.06 0.37 0.11 -1.10 0.00 0.00 0.00 175.10 174.54 1i1f s GLN 96 N -1.43 0.10 0.01 2.72 -0.21 -0.31 -1.70 119.66 118.83 1i1f s GLN 96 Ca 0.16 0.21 0.03 0.00 0.02 0.00 0.00 55.36 55.78 1i1f s GLN 96 Cb -0.11 -0.04 -0.01 0.00 1.00 0.00 0.00 33.01 33.85 1i1f s GLN 96 CO 0.07 -0.07 -0.09 0.50 -2.12 0.00 0.00 175.29 173.58 1i1f s ARG 97 N 0.45 0.68 -0.08 2.91 3.52 -0.82 0.22 118.95 125.83 1i1f s ARG 97 Ca -0.03 -0.43 -0.03 0.00 -0.13 0.00 0.00 55.73 55.10 1i1f s ARG 97 Cb -0.05 -0.63 0.04 0.00 -1.56 0.00 0.00 34.95 32.75 1i1f s ARG 97 CO -0.02 0.16 0.17 1.41 -0.81 0.00 0.00 175.30 176.22 1i1f s MET 98 N -0.54 0.11 0.06 5.12 1.75 0.16 -0.85 119.30 125.11 1i1f s MET 98 Ca 0.01 0.44 -0.05 0.00 -1.25 0.00 0.00 55.69 54.84 1i1f s MET 98 Cb -0.05 -0.17 -0.02 0.00 2.84 0.00 0.00 34.83 37.43 1i1f s MET 98 CO 0.00 -0.18 0.09 1.52 -0.65 0.00 0.00 175.02 175.79 1i1f s TYR 99 N 1.35 0.28 -2.60 4.11 -0.85 -1.11 -0.18 117.35 118.34 1i1f s TYR 99 Ca -0.08 -0.68 0.00 0.00 -0.52 0.00 0.00 57.07 55.79 1i1f s TYR 99 Cb -0.11 -0.19 0.00 0.00 0.38 0.00 0.00 41.96 42.04 1i1f s TYR 99 CO -0.07 -0.42 0.00 0.41 -1.52 0.00 0.00 175.55 173.96 1i1f n GLY 100 N 0.36 -1.48 3.08 5.49 0.00 -0.89 0.24 105.19 111.99 1i1f n GLY 100 Ca -0.17 -1.06 -0.12 0.00 0.00 0.00 0.00 46.02 44.68 1i1f n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i1f s ASP 102 N -0.55 5.15 0.07 0.00 1.01 0.78 -2.32 116.67 120.82 1i1f s ASP 102 Ca -0.06 0.08 0.08 0.00 0.71 0.00 0.00 52.55 53.36 1i1f s ASP 102 Cb -0.04 -1.40 -0.03 0.00 1.01 0.00 0.00 42.92 42.46 1i1f s ASP 102 CO 0.01 0.34 -0.22 0.68 0.21 0.00 0.00 175.17 176.20 1i1f s VAL 103 N -0.95 1.76 0.01 -1.27 -7.23 0.18 0.45 120.40 113.35 1i1f s VAL 103 Ca 0.15 -1.39 -0.00 0.00 -1.81 0.00 0.00 61.98 58.93 1i1f s VAL 103 Cb -0.11 -1.55 0.00 0.00 0.56 0.00 0.00 36.38 35.28 1i1f s VAL 103 CO 0.05 0.10 0.02 0.61 -0.31 0.00 0.00 175.10 175.57 1i1f n GLY 104 N 1.47 -1.16 0.27 2.32 0.00 -0.89 -0.87 105.19 106.32 1i1f n GLY 104 Ca -0.18 -1.67 0.13 0.00 0.00 0.00 0.00 46.02 44.31 1i1f n GLY 104 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1i1f h SER 105 N -0.04 0.00 -0.05 1.61 4.64 -1.91 -0.68 113.55 117.12 1i1f h SER 105 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1i1f h SER 105 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1i1f h SER 105 CO 0.00 0.10 0.00 -0.90 -0.87 0.00 0.00 176.83 175.16 1i1f n ASP 106 N -3.65 1.09 -0.75 4.97 5.68 -1.26 -4.66 116.55 117.97 1i1f n ASP 106 Ca -0.02 -1.44 -0.10 0.00 -0.50 0.00 0.00 54.79 52.73 1i1f n ASP 106 Cb 0.21 -0.02 -0.04 0.00 -1.14 0.00 0.00 41.12 40.13 1i1f n ASP 106 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1i1f n TRP 107 N -0.12 0.00 -3.77 2.11 7.02 -0.26 -5.01 117.44 117.41 1i1f n TRP 107 Ca 0.19 0.00 -0.20 0.00 -1.02 0.00 0.00 57.50 56.46 1i1f n TRP 107 Cb 0.27 -2.01 -0.02 0.00 -2.42 0.00 0.00 31.31 27.13 1i1f n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1i1f s ARG 108 N -2.68 3.00 0.09 -0.99 0.52 -1.26 -4.86 118.95 112.77 1i1f s ARG 108 Ca 0.00 -1.08 -0.35 0.00 -0.52 0.00 0.00 55.73 53.78 1i1f s ARG 108 Cb 0.00 -2.67 -0.14 0.00 0.52 0.00 0.00 34.95 32.66 1i1f s ARG 108 CO 0.00 0.18 1.56 0.34 0.02 0.00 0.00 175.30 177.40 1i1f n PHE 109 N -1.44 2.08 -0.03 -0.53 7.35 -1.26 -2.10 117.46 121.53 1i1f n PHE 109 Ca -0.03 0.34 -0.05 0.00 -0.76 0.00 0.00 57.45 56.95 1i1f n PHE 109 Cb 0.58 -2.50 -0.02 0.00 0.35 0.00 0.00 39.48 37.89 1i1f n PHE 109 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 1i1f n LEU 110 N 3.64 1.05 -3.47 -2.13 7.94 0.17 -4.80 117.00 119.40 1i1f n LEU 110 Ca 0.18 0.04 -0.11 0.00 -1.11 0.00 0.00 56.01 55.02 1i1f n LEU 110 Cb 0.26 -0.16 -0.02 0.00 0.53 0.00 0.00 43.42 44.02 1i1f n LEU 110 CO 0.65 0.23 0.49 0.00 -1.11 0.00 0.00 177.39 177.65 1i1f s ARG 111 N -2.10 1.19 0.00 1.96 1.70 -0.93 -4.97 118.95 115.80 1i1f s ARG 111 Ca -0.07 -0.46 0.01 0.00 -0.47 0.00 0.00 55.73 54.74 1i1f s ARG 111 Cb 0.03 0.53 -0.01 0.00 -0.57 0.00 0.00 34.95 34.93 1i1f s ARG 111 CO 0.10 -0.52 -0.04 0.20 -1.08 0.00 0.00 175.30 173.96 1i1f s GLY 112 N -2.69 0.20 0.01 3.88 0.00 -1.26 -0.15 107.32 107.29 1i1f s GLY 112 Ca 0.03 -0.22 -0.10 0.00 0.00 0.00 0.00 44.72 44.43 1i1f s GLY 112 CO -0.11 -0.21 0.20 -2.52 0.00 0.00 0.00 173.10 170.47 1i1f s TYR 113 N -0.26 -0.03 -0.29 1.90 -0.85 -0.15 -4.79 117.35 112.89 1i1f s TYR 113 Ca -0.01 -0.04 0.02 0.00 -0.52 0.00 0.00 57.07 56.52 1i1f s TYR 113 Cb -0.02 0.00 0.16 0.00 0.38 0.00 0.00 41.96 42.48 1i1f s TYR 113 CO -0.00 -0.35 0.42 -1.58 -1.52 0.00 0.00 175.55 172.52 1i1f s HIS 114 N -1.64 -1.05 0.12 -3.49 2.46 -1.25 -2.11 115.29 108.34 1i1f s HIS 114 Ca -0.12 0.41 0.10 0.00 0.47 0.00 0.00 55.06 55.92 1i1f s HIS 114 Cb -0.05 -0.11 -0.04 0.00 -0.13 0.00 0.00 32.58 32.24 1i1f s HIS 114 CO 0.01 -0.97 -0.23 -0.65 -2.47 0.00 0.00 174.74 170.43 1i1f s GLN 115 N 2.56 1.59 -0.08 2.88 -0.21 0.74 -1.16 119.66 125.99 1i1f s GLN 115 Ca 0.10 -1.26 -0.05 0.00 0.02 0.00 0.00 55.36 54.17 1i1f s GLN 115 Cb -0.12 -2.00 0.03 0.00 1.00 0.00 0.00 33.01 31.92 1i1f s GLN 115 CO -0.29 0.47 0.18 -0.47 -2.12 0.00 0.00 175.29 173.06 1i1f s TYR 116 N -1.09 -0.22 0.08 0.91 6.14 -0.58 -0.67 117.35 121.93 1i1f s TYR 116 Ca 0.16 0.55 0.04 0.00 0.64 0.00 0.00 57.07 58.46 1i1f s TYR 116 Cb -0.10 0.02 -0.03 0.00 0.42 0.00 0.00 41.96 42.26 1i1f s TYR 116 CO 0.08 -0.15 -0.11 0.00 0.64 0.00 0.00 175.55 176.01 1i1f s ALA 117 N 0.71 1.09 -0.10 3.97 0.00 0.13 -0.94 121.76 126.62 1i1f s ALA 117 Ca -0.05 -1.09 0.03 0.00 0.00 0.00 0.00 51.96 50.85 1i1f s ALA 117 Cb -0.07 -0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.05 1i1f s ALA 117 CO -0.04 0.03 -0.19 -0.47 0.00 0.00 0.00 175.76 175.10 1i1f s TYR 118 N -1.96 2.20 -1.44 0.00 5.04 -0.35 -1.16 117.35 119.68 1i1f s TYR 118 Ca 0.02 -0.98 -0.00 0.00 -2.44 0.00 0.00 57.07 53.66 1i1f s TYR 118 Cb -0.06 -1.53 0.00 0.00 0.35 0.00 0.00 41.96 40.73 1i1f s TYR 118 CO 0.01 -0.45 0.33 -0.25 -1.34 0.00 0.00 175.55 173.85 1i1f n ASP 119 N 3.89 -0.07 0.00 4.32 8.00 0.20 -1.19 116.55 131.71 1i1f n ASP 119 Ca -0.20 -1.07 0.00 0.00 0.71 0.00 0.00 54.79 54.24 1i1f n ASP 119 Cb 0.52 -2.74 0.00 0.00 -0.02 0.00 0.00 41.12 38.88 1i1f n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i1f n GLY 120 N -2.10 0.41 3.31 0.44 0.00 -1.26 -5.01 105.19 100.96 1i1f n GLY 120 Ca -0.31 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 1i1f n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i1f s LYS 121 N -0.58 2.22 -0.16 1.61 1.02 -0.33 -5.08 119.74 118.44 1i1f s LYS 121 Ca 0.00 -0.92 -0.40 0.00 0.02 0.00 0.00 55.97 54.68 1i1f s LYS 121 Cb 0.00 -2.08 -0.17 0.00 -0.52 0.00 0.00 37.83 35.07 1i1f s LYS 121 CO 0.00 0.52 1.55 -0.25 -0.92 0.00 0.00 175.35 176.25 1i1f n ASP 122 N 2.55 1.88 -0.02 2.83 8.00 -1.26 -1.21 116.55 129.31 1i1f n ASP 122 Ca -0.16 1.11 -0.03 0.00 0.71 0.00 0.00 54.79 56.41 1i1f n ASP 122 Cb 0.51 -1.12 -0.01 0.00 -0.02 0.00 0.00 41.12 40.48 1i1f n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1i1f n TYR 123 N 4.04 0.00 -3.82 1.24 9.36 -0.11 -4.73 117.16 123.15 1i1f n TYR 123 Ca 0.24 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.33 1i1f n TYR 123 Cb 0.13 -0.17 -0.11 0.00 -0.63 0.00 0.00 39.34 38.57 1i1f n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1i1f s ILE 124 N -1.82 0.04 0.03 2.97 2.07 -1.00 -2.30 121.20 121.18 1i1f s ILE 124 Ca -0.10 -0.31 -0.12 0.00 -1.41 0.00 0.00 60.65 58.71 1i1f s ILE 124 Cb 0.01 -0.40 0.01 0.00 0.13 0.00 0.00 42.46 42.21 1i1f s ILE 124 CO 0.14 -0.17 0.25 0.00 -1.91 0.00 0.00 174.94 173.26 1i1f s ALA 125 N -0.63 -0.56 -0.10 1.50 0.00 -0.90 -1.52 121.76 119.56 1i1f s ALA 125 Ca -0.07 -0.04 -0.18 0.00 0.00 0.00 0.00 51.96 51.66 1i1f s ALA 125 Cb -0.04 0.24 -0.04 0.00 0.00 0.00 0.00 23.12 23.27 1i1f s ALA 125 CO 0.01 -0.34 0.49 -1.17 0.00 0.00 0.00 175.76 174.75 1i1f s LEU 126 N -1.86 4.30 0.98 0.00 2.96 -0.31 -0.14 118.68 124.61 1i1f s LEU 126 Ca -0.08 0.87 -0.12 0.00 -0.22 0.00 0.00 54.13 54.58 1i1f s LEU 126 Cb -0.02 -2.73 0.18 0.00 0.50 0.00 0.00 46.19 44.12 1i1f s LEU 126 CO -0.01 0.02 1.09 -0.54 -1.32 0.00 0.00 176.35 175.59 1i1f s LYS 127 N 0.45 0.60 0.58 1.98 -0.14 -0.40 -4.58 119.74 118.24 1i1f s LYS 127 Ca 0.27 0.59 0.32 0.00 -1.36 0.00 0.00 55.97 55.79 1i1f s LYS 127 Cb -0.16 -1.75 1.80 0.00 -1.68 0.00 0.00 37.83 36.05 1i1f s LYS 127 CO 0.11 -2.63 2.21 1.49 -0.76 0.00 0.00 175.35 175.77 1i1f h GLU 128 N -1.82 0.00 0.00 1.68 4.81 -1.90 -1.55 114.58 115.80 1i1f h GLU 128 Ca -0.53 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1i1f h GLU 128 Cb 1.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.70 1i1f h GLU 128 CO 0.57 0.04 0.00 -0.40 -0.73 0.00 0.00 179.01 178.48 1i1f n ASP 129 N -3.63 0.00 -2.95 1.04 5.75 -1.26 -4.79 116.55 110.72 1i1f n ASP 129 Ca -0.03 -0.35 -0.18 0.00 -0.01 0.00 0.00 54.79 54.23 1i1f n ASP 129 Cb 0.13 -0.21 -0.00 0.00 -1.03 0.00 0.00 41.12 40.01 1i1f n ASP 129 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1i1f n LEU 130 N -1.21 -1.39 0.00 -2.12 4.77 -0.58 -4.72 117.00 111.74 1i1f n LEU 130 Ca 0.16 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1i1f n LEU 130 Cb 0.21 -2.13 0.00 0.00 -2.33 0.00 0.00 43.42 39.17 1i1f n LEU 130 CO 0.22 0.04 0.11 0.54 -1.33 0.00 0.00 177.39 176.96 1i1f n ARG 131 N -3.33 0.00 -3.67 3.23 1.74 -1.26 -4.57 116.66 108.79 1i1f n ARG 131 Ca -0.07 -0.21 -0.12 0.00 -0.77 0.00 0.00 57.85 56.68 1i1f n ARG 131 Cb 0.57 -0.49 -0.06 0.00 -1.02 0.00 0.00 32.46 31.45 1i1f n ARG 131 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1i1f s SER 132 N 0.00 -0.25 0.08 0.55 1.04 -1.26 -5.05 113.70 108.81 1i1f s SER 132 Ca 0.00 -0.07 0.08 0.00 0.48 0.00 0.00 55.95 56.44 1i1f s SER 132 Cb 0.00 0.42 -0.04 0.00 0.10 0.00 0.00 66.02 66.50 1i1f s SER 132 CO 0.00 -0.68 -0.17 0.26 0.98 0.00 0.00 173.24 173.63 1i1f s TRP 133 N -2.66 2.57 -0.46 5.02 0.52 -1.26 -1.27 118.94 121.39 1i1f s TRP 133 Ca -0.04 -0.25 -0.13 0.00 0.02 0.00 0.00 56.10 55.70 1i1f s TRP 133 Cb -0.00 -1.40 0.09 0.00 -1.15 0.00 0.00 33.47 31.00 1i1f s TRP 133 CO -0.04 0.34 0.36 0.99 0.02 0.00 0.00 176.95 178.62 1i1f s THR 134 N -1.06 4.79 0.05 2.01 2.01 0.80 -4.93 115.64 119.30 1i1f s THR 134 Ca 0.17 -1.29 -0.17 0.00 0.31 0.00 0.00 61.69 60.71 1i1f s THR 134 Cb -0.11 -3.93 -0.06 0.00 0.01 0.00 0.00 72.50 68.41 1i1f s THR 134 CO 0.09 -0.60 0.51 0.00 -0.69 0.00 0.00 174.62 173.92 1i1f s ALA 135 N 1.54 3.63 -0.19 7.40 0.00 -1.26 -2.11 121.76 130.76 1i1f s ALA 135 Ca 0.04 -0.07 -0.16 0.00 0.00 0.00 0.00 51.96 51.77 1i1f s ALA 135 Cb -0.25 -2.54 -0.12 0.00 0.00 0.00 0.00 23.12 20.22 1i1f s ALA 135 CO 0.04 0.43 -0.05 0.00 0.00 0.00 0.00 175.76 176.19 1i1f n ALA 136 N 1.73 0.75 -4.23 0.00 0.00 -0.97 -4.94 120.51 112.83 1i1f n ALA 136 Ca -0.12 -0.59 -0.16 0.00 0.00 0.00 0.00 53.44 52.57 1i1f n ALA 136 Cb 0.51 -0.22 -0.04 0.00 0.00 0.00 0.00 19.45 19.70 1i1f n ALA 136 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1i1f n ASP 137 N -4.47 2.02 0.04 0.00 5.68 -1.26 -5.01 116.55 113.55 1i1f n ASP 137 Ca -0.26 -2.19 0.02 0.00 -0.50 0.00 0.00 54.79 51.86 1i1f n ASP 137 Cb 0.56 0.36 0.38 0.00 -1.14 0.00 0.00 41.12 41.28 1i1f n ASP 137 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 1i1f h MET 138 N 0.00 0.44 -0.49 0.11 2.86 -1.98 -1.61 114.93 114.26 1i1f h MET 138 Ca -0.20 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.31 1i1f h MET 138 Cb 0.68 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.24 1i1f h MET 138 CO 0.33 0.42 0.10 0.00 1.06 0.00 0.00 176.91 178.82 1i1f h ALA 139 N 1.64 0.65 0.00 6.32 0.00 -1.96 -0.99 119.26 124.93 1i1f h ALA 139 Ca 0.10 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1i1f h ALA 139 Cb 0.19 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1i1f h ALA 139 CO -0.00 0.37 -0.09 0.00 0.00 0.00 0.00 179.25 179.52 1i1f h ALA 140 N 0.98 1.25 0.00 0.00 0.00 -1.71 -2.27 119.26 117.51 1i1f h ALA 140 Ca 0.15 -0.09 -0.20 0.00 0.00 0.00 0.00 54.91 54.78 1i1f h ALA 140 Cb 0.37 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1i1f h ALA 140 CO 0.01 0.12 -0.93 0.37 0.00 0.00 0.00 179.25 178.81 1i1f h GLN 141 N 0.00 0.01 -0.07 0.00 5.75 -0.31 -0.28 115.11 120.20 1i1f h GLN 141 Ca -0.00 -0.01 -0.20 0.00 -0.15 0.00 0.00 58.65 58.28 1i1f h GLN 141 Cb 0.30 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.86 1i1f h GLN 141 CO 0.01 0.93 -0.80 1.15 -2.65 0.00 0.00 178.83 177.48 1i1f h THR 142 N 0.00 1.36 -0.33 2.39 2.02 -0.69 -1.95 112.91 115.71 1i1f h THR 142 Ca -0.01 -2.17 -0.12 0.00 0.77 0.00 0.00 66.41 64.87 1i1f h THR 142 Cb 1.64 2.16 -0.01 0.00 -1.74 0.00 0.00 68.15 70.20 1i1f h THR 142 CO 0.12 0.66 -0.29 0.74 0.37 0.00 0.00 175.52 177.12 1i1f h THR 143 N 0.33 1.28 -0.03 3.16 2.02 -1.31 -2.28 112.91 116.08 1i1f h THR 143 Ca -0.05 -1.42 -0.00 0.00 0.77 0.00 0.00 66.41 65.71 1i1f h THR 143 Cb 1.40 1.34 -0.00 0.00 -1.74 0.00 0.00 68.15 69.15 1i1f h THR 143 CO 0.14 0.46 0.01 0.50 0.37 0.00 0.00 175.52 177.01 1i1f h LYS 144 N 0.60 0.04 -0.05 6.66 3.64 -0.92 0.07 116.57 126.61 1i1f h LYS 144 Ca 0.07 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.48 1i1f h LYS 144 Cb 0.80 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.56 1i1f h LYS 144 CO 0.07 0.18 -0.22 0.45 -2.27 0.00 0.00 179.45 177.65 1i1f h HIS 145 N -0.10 -0.59 -0.64 1.91 3.86 -1.26 0.20 115.15 118.52 1i1f h HIS 145 Ca 0.01 0.02 0.12 0.00 -1.16 0.00 0.00 60.37 59.36 1i1f h HIS 145 Cb 0.15 0.27 -0.09 0.00 1.06 0.00 0.00 27.41 28.80 1i1f h HIS 145 CO -0.02 -0.31 0.17 0.87 0.86 0.00 0.00 177.93 179.50 1i1f h LYS 146 N -0.32 0.30 0.00 2.45 1.57 -1.26 0.42 116.57 119.72 1i1f h LYS 146 Ca 0.08 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.73 1i1f h LYS 146 Cb 0.43 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 1i1f h LYS 146 CO -0.24 0.20 -0.52 -1.49 -0.57 0.00 0.00 179.45 176.83 1i1f h TRP 147 N 0.31 0.00 -0.03 -1.35 4.06 -0.44 -1.80 115.95 116.69 1i1f h TRP 147 Ca 0.34 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.29 1i1f h TRP 147 Cb 0.51 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.67 1i1f h TRP 147 CO -0.23 0.52 -0.00 0.93 -3.56 0.00 0.00 178.44 176.10 1i1f h GLU 148 N 0.00 0.06 -0.49 0.49 5.08 0.10 -0.78 114.58 119.05 1i1f h GLU 148 Ca -0.01 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1i1f h GLU 148 Cb 0.94 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 1i1f h GLU 148 CO 0.07 0.36 0.20 0.00 -1.00 0.00 0.00 179.01 178.64 1i1f h ALA 149 N 0.70 0.63 0.00 3.43 0.00 -0.89 -2.27 119.26 120.86 1i1f h ALA 149 Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1i1f h ALA 149 Cb 0.33 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1i1f h ALA 149 CO 0.00 0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.48 1i1f n ALA 150 N -2.32 2.29 -3.77 0.00 0.00 -0.69 -4.90 120.51 111.12 1i1f n ALA 150 Ca 0.01 -0.12 -0.33 0.00 0.00 0.00 0.00 53.44 53.01 1i1f n ALA 150 Cb 0.14 -1.31 0.03 0.00 0.00 0.00 0.00 19.45 18.32 1i1f n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1i1f n HIS 151 N -0.93 -1.80 0.12 0.00 -0.00 -0.86 -4.92 115.22 106.83 1i1f n HIS 151 Ca 0.14 0.44 -0.20 0.00 -0.00 0.00 0.00 57.72 58.09 1i1f n HIS 151 Cb 0.06 -3.39 -0.14 0.00 -0.00 0.00 0.00 29.99 26.52 1i1f n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 1i1f h VAL 152 N -1.99 1.38 -0.37 1.59 2.07 -1.42 -3.22 116.25 114.28 1i1f h VAL 152 Ca -0.67 -2.79 -0.01 0.00 0.82 0.00 0.00 66.70 64.05 1i1f h VAL 152 Cb 1.37 2.92 -0.02 0.00 -1.52 0.00 0.00 31.29 34.04 1i1f h VAL 152 CO 0.50 0.83 0.21 0.00 0.02 0.00 0.00 177.57 179.13 1i1f h ALA 153 N 0.38 0.48 -0.90 1.67 0.00 -1.90 0.25 119.26 119.25 1i1f h ALA 153 Ca -0.19 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 54.73 1i1f h ALA 153 Cb 2.02 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 19.59 1i1f h ALA 153 CO 0.24 -0.00 0.55 0.93 0.00 0.00 0.00 179.25 180.97 1i1f h GLU 154 N 0.48 0.93 -0.44 0.00 3.07 -1.81 0.40 114.58 117.21 1i1f h GLU 154 Ca 0.13 -0.06 -0.15 0.00 -0.50 0.00 0.00 59.36 58.79 1i1f h GLU 154 Cb 0.05 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 27.74 1i1f h GLU 154 CO -0.02 0.62 -0.31 0.37 -1.40 0.00 0.00 179.01 178.27 1i1f h GLN 155 N 0.96 0.98 -0.08 2.33 4.15 -1.15 -3.03 115.11 119.27 1i1f h GLN 155 Ca 0.41 -0.47 -0.13 0.00 0.77 0.00 0.00 58.65 59.24 1i1f h GLN 155 Cb 0.27 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 1i1f h GLN 155 CO -0.21 1.14 -0.51 1.25 -1.93 0.00 0.00 178.83 178.57 1i1f h LEU 156 N 0.82 0.23 -0.73 -2.39 5.85 0.52 -2.86 115.31 116.75 1i1f h LEU 156 Ca 0.09 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 1i1f h LEU 156 Cb 0.90 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 1i1f h LEU 156 CO 0.08 0.70 0.30 -0.09 -0.34 0.00 0.00 178.44 179.09 1i1f h ARG 157 N 0.17 1.09 -0.47 1.25 2.43 -0.14 -0.50 114.38 118.21 1i1f h ARG 157 Ca 0.00 -0.20 -0.12 0.00 -0.81 0.00 0.00 59.98 58.86 1i1f h ARG 157 Cb 0.96 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.32 1i1f h ARG 157 CO 0.08 0.90 -0.19 0.00 -1.51 0.00 0.00 179.97 179.24 1i1f h ALA 158 N 1.14 0.78 0.26 2.80 0.00 -1.49 -0.16 119.26 122.60 1i1f h ALA 158 Ca 0.24 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1i1f h ALA 158 Cb 0.21 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1i1f h ALA 158 CO -0.02 0.66 -0.13 -0.92 0.00 0.00 0.00 179.25 178.84 1i1f h TYR 159 N 0.81 -0.33 -0.34 0.00 3.20 -1.17 -0.43 116.97 118.71 1i1f h TYR 159 Ca 0.11 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.00 1i1f h TYR 159 Cb 0.74 0.11 -0.03 0.00 1.54 0.00 0.00 36.73 39.09 1i1f h TYR 159 CO 0.05 -0.20 0.16 -0.07 -1.64 0.00 0.00 178.16 176.45 1i1f h LEU 160 N -0.40 0.22 -1.43 2.82 3.38 -1.14 -0.78 115.31 117.98 1i1f h LEU 160 Ca -0.04 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1i1f h LEU 160 Cb 0.27 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1i1f h LEU 160 CO 0.06 0.17 -0.22 -0.33 0.09 0.00 0.00 178.44 178.21 1i1f h GLU 161 N 0.33 0.00 0.00 1.13 5.08 -1.13 -3.31 114.58 116.68 1i1f h GLU 161 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1i1f h GLU 161 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1i1f h GLU 161 CO -0.11 0.22 0.00 0.41 -1.00 0.00 0.00 179.01 178.52 1i1f n GLY 162 N -0.23 0.31 0.35 -3.84 0.00 -0.17 -4.65 105.19 96.95 1i1f n GLY 162 Ca -0.01 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 1i1f n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i1f h THR 163 N 0.00 0.85 0.35 2.61 1.03 -1.52 0.40 112.91 116.63 1i1f h THR 163 Ca 0.00 -0.06 -0.02 0.00 -0.01 0.00 0.00 66.41 66.33 1i1f h THR 163 Cb 0.00 0.68 0.00 0.00 -1.07 0.00 0.00 68.15 67.76 1i1f h THR 163 CO 0.00 0.03 -0.17 0.00 -0.01 0.00 0.00 175.52 175.37 1i1f h VAL 165 N -0.70 1.27 -0.56 0.00 -1.51 -1.38 -1.08 116.25 112.29 1i1f h VAL 165 Ca -0.05 -1.31 0.06 0.00 -1.23 0.00 0.00 66.70 64.17 1i1f h VAL 165 Cb 0.49 1.18 -0.05 0.00 -2.13 0.00 0.00 31.29 30.78 1i1f h VAL 165 CO 0.08 0.44 0.28 -0.33 -1.23 0.00 0.00 177.57 176.80 1i1f h GLU 166 N 0.68 0.51 0.00 5.19 5.08 -0.96 -1.93 114.58 123.15 1i1f h GLU 166 Ca 0.10 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1i1f h GLU 166 Cb 0.71 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1i1f h GLU 166 CO 0.05 0.34 -0.42 -1.49 -1.00 0.00 0.00 179.01 176.48 1i1f h TRP 167 N 0.52 0.00 0.24 4.33 4.06 -1.09 -3.06 115.95 120.95 1i1f h TRP 167 Ca 0.26 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.19 1i1f h TRP 167 Cb 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.35 1i1f h TRP 167 CO -0.11 0.00 -0.12 1.25 -3.56 0.00 0.00 178.44 175.91 1i1f h LEU 168 N 0.00 -0.27 -0.34 -4.49 5.85 -0.91 -1.97 115.31 113.17 1i1f h LEU 168 Ca 0.00 -0.21 0.07 0.00 0.84 0.00 0.00 57.88 58.58 1i1f h LEU 168 Cb 0.91 0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.93 1i1f h LEU 168 CO 0.00 0.09 -0.17 0.03 -0.34 0.00 0.00 178.44 178.05 1i1f h ARG 169 N -0.67 -0.11 -0.68 1.25 3.08 -1.44 0.18 114.38 115.99 1i1f h ARG 169 Ca -0.03 0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.12 1i1f h ARG 169 Cb 0.47 0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.47 1i1f h ARG 169 CO 0.05 -0.07 0.31 -0.09 -1.07 0.00 0.00 179.97 179.10 1i1f h ARG 170 N -0.11 0.51 -0.32 0.04 2.43 -1.53 -0.19 114.38 115.21 1i1f h ARG 170 Ca 0.17 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 1i1f h ARG 170 Cb 0.38 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 1i1f h ARG 170 CO -0.42 0.33 0.15 1.88 -1.51 0.00 0.00 179.97 180.41 1i1f h TYR 171 N 0.52 0.46 -0.27 2.20 0.05 -0.41 0.16 116.97 119.68 1i1f h TYR 171 Ca 0.34 -0.03 0.07 0.00 0.05 0.00 0.00 58.73 59.16 1i1f h TYR 171 Cb 0.40 -0.14 -0.08 0.00 1.01 0.00 0.00 36.73 37.93 1i1f h TYR 171 CO -0.13 0.42 -0.27 -0.07 -1.05 0.00 0.00 178.16 177.05 1i1f h LEU 172 N 0.37 -0.87 -0.27 3.88 3.38 0.89 0.54 115.31 123.23 1i1f h LEU 172 Ca 0.11 0.15 -0.13 0.00 0.09 0.00 0.00 57.88 58.10 1i1f h LEU 172 Cb 0.13 0.41 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 1i1f h LEU 172 CO -0.01 -0.30 -0.36 1.05 0.09 0.00 0.00 178.44 178.91 1i1f h GLU 173 N -0.26 0.72 -0.60 1.13 4.11 -0.99 -1.35 114.58 117.34 1i1f h GLU 173 Ca 0.14 -0.41 0.02 0.00 0.07 0.00 0.00 59.36 59.18 1i1f h GLU 173 Cb 0.49 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 1i1f h GLU 173 CO -0.42 1.03 0.40 -0.91 0.07 0.00 0.00 179.01 179.18 1i1f h ASN 174 N 0.46 0.67 -0.49 3.06 2.35 0.07 -2.13 115.58 119.57 1i1f h ASN 174 Ca 0.03 -0.01 -0.28 0.00 -0.55 0.00 0.00 56.30 55.49 1i1f h ASN 174 Cb 0.94 -0.16 -0.17 0.00 0.05 0.00 0.00 38.32 38.98 1i1f h ASN 174 CO 0.08 0.47 -0.01 0.61 -1.65 0.00 0.00 177.43 176.94 1i1f n GLY 175 N -1.45 5.04 0.33 2.83 0.00 0.18 -4.83 105.19 107.30 1i1f n GLY 175 Ca 0.06 -1.39 0.24 0.00 0.00 0.00 0.00 46.02 44.94 1i1f n GLY 175 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1i1f h LYS 176 N 1.15 0.04 -0.18 1.61 3.64 -0.53 -0.28 116.57 122.02 1i1f h LYS 176 Ca 0.31 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.64 1i1f h LYS 176 Cb 1.74 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.54 1i1f h LYS 176 CO 0.57 0.03 -0.09 0.93 -2.27 0.00 0.00 179.45 178.62 1i1f h GLU 177 N 0.04 0.28 0.00 1.90 5.08 -1.87 -2.64 114.58 117.37 1i1f h GLU 177 Ca 0.74 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 59.04 1i1f h GLU 177 Cb 1.80 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.01 1i1f h GLU 177 CO -0.80 0.38 -0.29 0.25 -1.00 0.00 0.00 179.01 177.56 1i1f n THR 178 N -4.30 0.00 -0.10 1.13 -2.24 -0.68 -4.31 114.28 103.78 1i1f n THR 178 Ca -0.00 -0.38 -0.21 0.00 -2.27 0.00 0.00 64.05 61.19 1i1f n THR 178 Cb 0.25 0.93 -0.12 0.00 -2.10 0.00 0.00 70.33 69.29 1i1f n THR 178 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1i1f n LEU 179 N -1.15 2.62 -0.92 3.22 4.77 -0.20 -4.35 117.00 120.99 1i1f n LEU 179 Ca 0.01 0.07 0.03 0.00 -0.03 0.00 0.00 56.01 56.08 1i1f n LEU 179 Cb 0.06 -0.94 0.16 0.00 -2.33 0.00 0.00 43.42 40.37 1i1f n LEU 179 CO 0.08 0.80 0.53 0.00 -1.33 0.00 0.00 177.39 177.47 1i1f n GLN 180 N -3.59 2.34 -4.05 3.23 6.02 -0.99 -4.83 117.38 115.51 1i1f n GLN 180 Ca -0.44 -1.22 -0.35 0.00 -0.01 0.00 0.00 57.00 54.98 1i1f n GLN 180 Cb 0.96 -1.65 -0.11 0.00 1.02 0.00 0.00 30.24 30.46 1i1f n GLN 180 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1i1f s ARG 181 N -1.68 3.84 -0.66 -1.09 3.52 -1.25 -4.98 118.95 116.64 1i1f s ARG 181 Ca 0.21 -0.41 -0.10 0.00 -0.13 0.00 0.00 55.73 55.30 1i1f s ARG 181 Cb 0.15 -3.17 0.17 0.00 -1.56 0.00 0.00 34.95 30.54 1i1f s ARG 181 CO 0.08 0.17 0.56 0.95 -0.81 0.00 0.00 175.30 176.25 1i1f s THR 182 N 0.63 4.78 0.17 4.11 -4.23 -1.26 -4.61 115.64 115.23 1i1f s THR 182 Ca 0.02 -2.32 -0.30 0.00 -1.18 0.00 0.00 61.69 57.91 1i1f s THR 182 Cb -0.13 -4.04 -0.09 0.00 1.34 0.00 0.00 72.50 69.58 1i1f s THR 182 CO 0.02 -0.91 1.35 -1.81 -0.54 0.00 0.00 174.62 172.72 1i1f s ASP 183 N 2.09 6.85 0.45 3.99 1.01 0.64 -4.18 116.67 127.52 1i1f s ASP 183 Ca 0.13 2.40 -0.15 0.00 0.71 0.00 0.00 52.55 55.65 1i1f s ASP 183 Cb -0.19 -2.60 -0.08 0.00 1.01 0.00 0.00 42.92 41.06 1i1f s ASP 183 CO -0.04 -0.59 0.88 0.00 0.21 0.00 0.00 175.17 175.63 1i1f s ALA 184 N 0.45 3.19 0.21 5.23 0.00 -1.26 -2.93 121.76 126.65 1i1f s ALA 184 Ca 0.60 0.05 -0.30 0.00 0.00 0.00 0.00 51.96 52.31 1i1f s ALA 184 Cb -0.37 -2.94 -0.08 0.00 0.00 0.00 0.00 23.12 19.72 1i1f s ALA 184 CO 0.36 -0.08 1.07 -1.25 0.00 0.00 0.00 175.76 175.86 1i1f s PRO 185 N -3.83 4.65 -0.55 0.00 0.05 -1.26 -4.52 135.00 129.53 1i1f s PRO 185 Ca 0.56 1.70 -0.24 0.00 0.05 0.00 0.00 61.00 63.07 1i1f s PRO 185 Cb -0.10 -3.26 0.04 0.00 0.05 0.00 0.00 34.50 31.24 1i1f s PRO 185 CO 0.29 0.19 0.92 0.15 0.05 0.00 0.00 177.00 178.59 1i1f s LYS 186 N -0.78 3.32 0.22 4.56 3.01 -0.57 -4.89 119.74 124.60 1i1f s LYS 186 Ca 0.47 -0.30 0.06 0.00 -1.01 0.00 0.00 55.97 55.19 1i1f s LYS 186 Cb -0.29 -4.05 -0.04 0.00 -1.01 0.00 0.00 37.83 32.44 1i1f s LYS 186 CO 0.36 -1.47 0.18 0.95 0.51 0.00 0.00 175.35 175.89 1i1f s THR 187 N 3.86 4.50 -0.17 2.17 -4.23 -1.26 -0.01 115.64 120.50 1i1f s THR 187 Ca 0.29 -1.27 -0.33 0.00 -1.18 0.00 0.00 61.69 59.21 1i1f s THR 187 Cb -0.13 -3.38 0.14 0.00 1.34 0.00 0.00 72.50 70.47 1i1f s THR 187 CO 0.19 -0.26 1.15 -1.38 -0.54 0.00 0.00 174.62 173.78 1i1f s HIS 188 N -1.99 -0.18 0.07 3.99 -3.43 -0.96 -4.96 115.29 107.83 1i1f s HIS 188 Ca 0.32 0.17 0.08 0.00 -0.80 0.00 0.00 55.06 54.82 1i1f s HIS 188 Cb -0.09 0.51 -0.03 0.00 -1.43 0.00 0.00 32.58 31.54 1i1f s HIS 188 CO 0.25 -0.25 -0.21 1.41 -2.00 0.00 0.00 174.74 173.94 1i1f s MET 189 N -2.21 1.28 0.08 -0.38 1.75 -1.26 0.30 119.30 118.86 1i1f s MET 189 Ca 0.07 -1.02 0.07 0.00 -1.25 0.00 0.00 55.69 53.56 1i1f s MET 189 Cb -0.01 -1.45 -0.03 0.00 2.84 0.00 0.00 34.83 36.18 1i1f s MET 189 CO -0.05 0.36 -0.19 0.95 -0.65 0.00 0.00 175.02 175.44 1i1f s THR 190 N -0.94 1.50 -0.14 10.11 -4.23 -0.26 -4.94 115.64 116.74 1i1f s THR 190 Ca 0.07 -1.39 0.01 0.00 -1.18 0.00 0.00 61.69 59.19 1i1f s THR 190 Cb -0.09 -1.37 0.02 0.00 1.34 0.00 0.00 72.50 72.40 1i1f s THR 190 CO 0.03 -0.07 -0.15 -2.28 -0.54 0.00 0.00 174.62 171.61 1i1f s HIS 191 N -1.12 2.17 -0.14 3.99 2.46 -1.26 -0.35 115.29 121.05 1i1f s HIS 191 Ca 0.04 -1.18 0.01 0.00 0.47 0.00 0.00 55.06 54.40 1i1f s HIS 191 Cb -0.10 -1.58 0.02 0.00 -0.13 0.00 0.00 32.58 30.79 1i1f s HIS 191 CO 0.03 -0.64 -0.16 -1.01 -2.47 0.00 0.00 174.74 170.50 1i1f s HIS 192 N 1.36 2.21 -0.04 3.88 3.76 0.12 -4.98 115.29 121.60 1i1f s HIS 192 Ca 0.02 -1.18 -0.30 0.00 -0.15 0.00 0.00 55.06 53.46 1i1f s HIS 192 Cb -0.13 -1.59 -0.04 0.00 1.11 0.00 0.00 32.58 31.92 1i1f s HIS 192 CO -0.09 -0.62 1.33 0.00 -0.85 0.00 0.00 174.74 174.52 1i1f s ALA 193 N 1.25 3.57 -0.21 -1.40 0.00 -1.26 -0.10 121.76 123.59 1i1f s ALA 193 Ca 0.00 0.75 -0.21 0.00 0.00 0.00 0.00 51.96 52.50 1i1f s ALA 193 Cb -0.14 -3.58 -0.19 0.00 0.00 0.00 0.00 23.12 19.21 1i1f s ALA 193 CO -0.07 -0.93 0.19 1.33 0.00 0.00 0.00 175.76 176.28 1i1f n VAL 194 N 4.79 1.54 -4.38 0.00 0.24 -1.11 -4.90 118.33 114.51 1i1f n VAL 194 Ca 0.13 -0.05 -0.22 0.00 -2.04 0.00 0.00 64.34 62.16 1i1f n VAL 194 Cb 0.45 -2.03 -0.08 0.00 -1.47 0.00 0.00 33.84 30.70 1i1f n VAL 194 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1i1f s SER 195 N -6.89 2.05 0.51 -1.34 1.04 -1.22 -5.02 113.70 102.82 1i1f s SER 195 Ca -0.29 -1.69 0.25 0.00 0.48 0.00 0.00 55.95 54.70 1i1f s SER 195 Cb 0.06 0.52 1.37 0.00 0.10 0.00 0.00 66.02 68.07 1i1f s SER 195 CO 0.59 -0.98 2.06 0.44 0.98 0.00 0.00 173.24 176.32 1i1f h ASP 196 N 2.02 0.00 -0.29 7.02 5.19 -2.03 -3.05 116.42 125.28 1i1f h ASP 196 Ca -0.30 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.11 1i1f h ASP 196 Cb 1.25 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.76 1i1f h ASP 196 CO 0.47 0.13 0.00 0.00 -3.12 0.00 0.00 179.24 176.72 1i1f n HIS 197 N -3.75 0.69 -3.91 4.55 1.44 -1.26 -4.91 115.22 108.07 1i1f n HIS 197 Ca -0.02 -0.69 -0.09 0.00 -2.01 0.00 0.00 57.72 54.91 1i1f n HIS 197 Cb 0.24 -0.17 -0.06 0.00 0.12 0.00 0.00 29.99 30.12 1i1f n HIS 197 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1i1f s GLU 198 N -1.91 1.16 -0.24 -1.40 2.02 -1.15 -3.30 118.70 113.88 1i1f s GLU 198 Ca 0.32 -1.09 -0.26 0.00 0.02 0.00 0.00 54.97 53.96 1i1f s GLU 198 Cb 0.23 0.40 0.10 0.00 0.10 0.00 0.00 34.13 34.96 1i1f s GLU 198 CO 0.12 -0.43 0.90 0.00 0.02 0.00 0.00 175.26 175.86 1i1f s ALA 199 N -3.94 -1.89 0.09 5.21 0.00 0.12 -2.73 121.76 118.62 1i1f s ALA 199 Ca 0.14 1.83 -0.22 0.00 0.00 0.00 0.00 51.96 53.72 1i1f s ALA 199 Cb 0.03 -1.12 -0.07 0.00 0.00 0.00 0.00 23.12 21.96 1i1f s ALA 199 CO -0.02 -0.29 0.65 0.99 0.00 0.00 0.00 175.76 177.10 1i1f s THR 200 N -0.04 4.65 -0.18 0.00 2.01 0.85 -0.52 115.64 122.42 1i1f s THR 200 Ca 0.00 1.41 0.01 0.00 0.31 0.00 0.00 61.69 63.42 1i1f s THR 200 Cb -0.04 -4.00 0.03 0.00 0.01 0.00 0.00 72.50 68.50 1i1f s THR 200 CO -0.01 0.51 -0.17 -0.22 -0.69 0.00 0.00 174.62 174.04 1i1f s LEU 201 N -0.90 2.08 -0.16 4.42 2.96 -0.69 -0.70 118.68 125.69 1i1f s LEU 201 Ca 0.32 -0.66 0.01 0.00 -0.22 0.00 0.00 54.13 53.58 1i1f s LEU 201 Cb -0.21 -1.36 0.01 0.00 0.50 0.00 0.00 46.19 45.13 1i1f s LEU 201 CO 0.21 -0.04 -0.18 -0.60 -1.32 0.00 0.00 176.35 174.42 1i1f s ARG 202 N 1.35 3.11 -0.22 1.98 3.52 0.53 -1.71 118.95 127.51 1i1f s ARG 202 Ca 0.04 -0.80 -0.16 0.00 -0.13 0.00 0.00 55.73 54.68 1i1f s ARG 202 Cb -0.14 -2.57 -0.04 0.00 -1.56 0.00 0.00 34.95 30.64 1i1f s ARG 202 CO -0.11 -0.06 0.40 0.00 -0.81 0.00 0.00 175.30 174.72 1i1f s TRP 204 N 1.58 3.10 -0.36 0.00 0.52 0.15 -2.07 118.94 121.86 1i1f s TRP 204 Ca 0.18 0.14 0.00 0.00 0.02 0.00 0.00 56.10 56.45 1i1f s TRP 204 Cb -0.15 -1.76 0.12 0.00 -1.15 0.00 0.00 33.47 30.53 1i1f s TRP 204 CO 0.08 0.44 0.16 0.00 0.02 0.00 0.00 176.95 177.65 1i1f s ALA 205 N -0.90 1.72 0.27 0.98 0.00 -0.16 -2.26 121.76 121.41 1i1f s ALA 205 Ca 0.14 -2.03 0.09 0.00 0.00 0.00 0.00 51.96 50.16 1i1f s ALA 205 Cb -0.11 -1.72 -0.04 0.00 0.00 0.00 0.00 23.12 21.25 1i1f s ALA 205 CO 0.03 -1.85 0.05 -0.51 0.00 0.00 0.00 175.76 173.49 1i1f s LEU 206 N 1.12 3.33 -0.89 0.00 1.43 0.99 -0.86 118.68 123.79 1i1f s LEU 206 Ca 0.13 -0.57 -0.15 0.00 -1.03 0.00 0.00 54.13 52.51 1i1f s LEU 206 Cb -0.20 -1.85 0.02 0.00 0.03 0.00 0.00 46.19 44.19 1i1f s LEU 206 CO -0.14 -0.03 0.56 -1.54 0.23 0.00 0.00 176.35 175.43 1i1f n SER 207 N -0.98 -3.91 -4.47 2.29 3.41 -1.01 -1.51 113.62 107.44 1i1f n SER 207 Ca -0.06 -1.00 -0.26 0.00 -0.26 0.00 0.00 58.87 57.28 1i1f n SER 207 Cb 0.59 -1.39 -0.11 0.00 -0.26 0.00 0.00 64.21 63.04 1i1f n SER 207 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1i1f s PHE 208 N -3.26 2.38 -0.22 7.33 -0.12 -0.73 -4.63 117.98 118.74 1i1f s PHE 208 Ca 0.21 -0.32 -0.13 0.00 -0.05 0.00 0.00 56.93 56.63 1i1f s PHE 208 Cb -0.12 -1.14 0.07 0.00 -0.63 0.00 0.00 43.02 41.20 1i1f s PHE 208 CO 0.82 0.55 0.53 -0.47 -0.05 0.00 0.00 175.22 176.61 1i1f s TYR 209 N -1.88 -0.77 0.71 3.49 6.14 -1.15 0.15 117.35 124.04 1i1f s TYR 209 Ca 0.24 1.63 -0.12 0.00 0.64 0.00 0.00 57.07 59.46 1i1f s TYR 209 Cb -0.07 0.39 0.17 0.00 0.42 0.00 0.00 41.96 42.87 1i1f s TYR 209 CO 0.12 -0.40 0.72 -0.35 0.64 0.00 0.00 175.55 176.28 1i1f n PRO 210 N 4.05 -1.90 -0.02 4.97 -0.04 -1.26 0.23 135.00 141.04 1i1f n PRO 210 Ca -0.21 -1.13 -0.06 0.00 -0.04 0.00 0.00 63.50 62.07 1i1f n PRO 210 Cb 0.57 -0.96 0.15 0.00 -0.04 0.00 0.00 33.50 33.21 1i1f n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1i1f h ALA 211 N -2.29 0.97 -1.53 0.55 0.00 -1.94 -3.46 119.26 111.56 1i1f h ALA 211 Ca -0.26 -0.38 -0.68 0.00 0.00 0.00 0.00 54.91 53.59 1i1f h ALA 211 Cb 0.76 -0.13 0.07 0.00 0.00 0.00 0.00 17.79 18.50 1i1f h ALA 211 CO 0.17 0.60 0.18 -1.91 0.00 0.00 0.00 179.25 178.29 1i1f n GLU 212 N -4.09 0.83 -3.57 0.00 0.00 -1.26 -4.97 120.64 107.58 1i1f n GLU 212 Ca -0.01 0.30 -0.10 0.00 0.00 0.00 0.00 57.16 57.35 1i1f n GLU 212 Cb 0.44 -1.77 -0.05 0.00 0.00 0.00 0.00 31.44 30.07 1i1f n GLU 212 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.13 175.63 1i1f s ILE 213 N -0.14 0.00 -0.23 6.31 2.07 -1.26 -4.72 121.20 123.23 1i1f s ILE 213 Ca 0.77 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 60.03 1i1f s ILE 213 Cb -0.95 -1.00 0.05 0.00 0.13 0.00 0.00 42.46 40.69 1i1f s ILE 213 CO 0.53 0.00 -0.09 -0.89 -1.91 0.00 0.00 174.94 172.58 1i1f s THR 214 N -1.35 1.81 -0.38 4.00 2.01 0.04 -4.97 115.64 116.81 1i1f s THR 214 Ca -0.00 -1.32 -0.03 0.00 0.31 0.00 0.00 61.69 60.64 1i1f s THR 214 Cb -0.01 -1.96 0.09 0.00 0.01 0.00 0.00 72.50 70.63 1i1f s THR 214 CO 0.00 0.01 0.15 -0.22 -0.69 0.00 0.00 174.62 173.87 1i1f s LEU 215 N 1.28 4.82 0.11 4.42 2.96 -1.26 -0.75 118.68 130.26 1i1f s LEU 215 Ca -0.06 -1.72 0.10 0.00 -0.22 0.00 0.00 54.13 52.23 1i1f s LEU 215 Cb -0.18 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.65 1i1f s LEU 215 CO -0.06 -0.45 -0.26 -0.89 -1.32 0.00 0.00 176.35 173.36 1i1f s THR 216 N 1.21 2.20 -0.05 3.68 2.01 0.23 -4.93 115.64 119.99 1i1f s THR 216 Ca 0.04 -1.67 0.04 0.00 0.31 0.00 0.00 61.69 60.40 1i1f s THR 216 Cb -0.22 -1.94 -0.03 0.00 0.01 0.00 0.00 72.50 70.33 1i1f s THR 216 CO -0.02 0.13 -0.15 0.26 -0.69 0.00 0.00 174.62 174.15 1i1f s TRP 217 N -1.02 2.67 0.01 4.92 0.52 -1.26 0.81 118.94 125.60 1i1f s TRP 217 Ca 0.13 -0.19 -0.02 0.00 0.02 0.00 0.00 56.10 56.04 1i1f s TRP 217 Cb -0.10 -1.62 -0.01 0.00 -1.15 0.00 0.00 33.47 30.59 1i1f s TRP 217 CO 0.05 0.16 0.01 1.14 0.02 0.00 0.00 176.95 178.33 1i1f s GLN 218 N -0.70 0.32 -0.16 4.98 -2.07 -0.45 -1.05 119.66 120.53 1i1f s GLN 218 Ca 0.11 -0.50 0.01 0.00 -1.82 0.00 0.00 55.36 53.16 1i1f s GLN 218 Cb -0.11 0.12 0.02 0.00 -1.09 0.00 0.00 33.01 31.95 1i1f s GLN 218 CO 0.00 -0.06 -0.18 0.50 -1.32 0.00 0.00 175.29 174.24 1i1f s ARG 219 N -1.30 2.67 -1.70 9.60 3.52 0.29 -1.24 118.95 130.78 1i1f s ARG 219 Ca -0.14 -0.71 0.00 0.00 -0.13 0.00 0.00 55.73 54.75 1i1f s ARG 219 Cb -0.09 -2.31 0.00 0.00 -1.56 0.00 0.00 34.95 30.99 1i1f s ARG 219 CO -0.00 -0.18 0.00 -0.25 -0.81 0.00 0.00 175.30 174.06 1i1f n ASP 220 N 4.55 -5.65 0.00 -2.12 8.00 -0.34 -0.43 116.55 120.56 1i1f n ASP 220 Ca -0.19 0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.33 1i1f n ASP 220 Cb 0.50 -4.72 0.00 0.00 -0.02 0.00 0.00 41.12 36.88 1i1f n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i1f n GLY 221 N -0.97 3.21 3.74 0.44 0.00 -1.26 -5.03 105.19 105.32 1i1f n GLY 221 Ca -0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 1i1f n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i1f s GLU 222 N -0.45 4.30 0.44 1.61 2.02 0.43 -4.97 118.70 122.08 1i1f s GLU 222 Ca 0.00 0.46 -0.24 0.00 0.02 0.00 0.00 54.97 55.21 1i1f s GLU 222 Cb 0.00 -3.41 -0.09 0.00 0.10 0.00 0.00 34.13 30.73 1i1f s GLU 222 CO 0.00 0.22 1.16 -3.47 0.02 0.00 0.00 175.26 173.19 1i1f n ASP 223 N 3.43 1.95 -2.31 -0.19 -0.08 -1.26 0.11 116.55 118.18 1i1f n ASP 223 Ca -0.08 1.05 -0.28 0.00 -1.51 0.00 0.00 54.79 53.98 1i1f n ASP 223 Cb 0.52 -1.44 0.02 0.00 2.34 0.00 0.00 41.12 42.55 1i1f n ASP 223 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1i1f n GLN 224 N -0.06 3.38 -0.22 -0.67 1.13 -0.22 -4.76 117.38 115.97 1i1f n GLN 224 Ca 0.08 -4.16 0.09 0.00 -1.94 0.00 0.00 57.00 51.07 1i1f n GLN 224 Cb 0.40 -2.27 0.36 0.00 0.11 0.00 0.00 30.24 28.84 1i1f n GLN 224 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 1i1f h THR 225 N 2.21 0.95 0.00 5.09 1.35 -1.93 -1.56 112.91 119.02 1i1f h THR 225 Ca 0.38 -0.25 -0.02 0.00 -0.55 0.00 0.00 66.41 65.97 1i1f h THR 225 Cb 1.09 0.15 -0.00 0.00 -1.73 0.00 0.00 68.15 67.65 1i1f h THR 225 CO 0.94 0.13 -0.09 1.56 -0.25 0.00 0.00 175.52 177.81 1i1f h GLN 226 N 0.74 0.00 0.00 4.72 1.08 -1.98 -3.33 115.11 116.33 1i1f h GLN 226 Ca 0.37 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.55 1i1f h GLN 226 Cb 0.44 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.84 1i1f h GLN 226 CO -0.14 0.09 -0.39 -0.25 -0.95 0.00 0.00 178.83 177.19 1i1f n ASP 227 N -3.22 1.78 -4.32 1.46 8.00 -0.60 -5.01 116.55 114.64 1i1f n ASP 227 Ca 0.01 -3.42 -0.32 0.00 0.71 0.00 0.00 54.79 51.76 1i1f n ASP 227 Cb 0.37 -0.47 -0.15 0.00 -0.02 0.00 0.00 41.12 40.85 1i1f n ASP 227 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1i1f s THR 228 N -2.73 2.52 0.06 -3.53 2.01 -1.15 -4.37 115.64 108.45 1i1f s THR 228 Ca 0.34 -0.87 -0.27 0.00 0.31 0.00 0.00 61.69 61.20 1i1f s THR 228 Cb 0.33 -1.99 -0.05 0.00 0.01 0.00 0.00 72.50 70.79 1i1f s THR 228 CO -0.04 0.56 0.83 -0.70 -0.69 0.00 0.00 174.62 174.58 1i1f s GLU 229 N 0.06 4.56 -0.10 4.92 2.12 0.14 -4.87 118.70 125.53 1i1f s GLU 229 Ca -0.08 1.20 -0.01 0.00 0.36 0.00 0.00 54.97 56.44 1i1f s GLU 229 Cb -0.15 -3.37 0.03 0.00 0.26 0.00 0.00 34.13 30.89 1i1f s GLU 229 CO 0.05 0.25 -0.05 -1.17 -0.54 0.00 0.00 175.26 173.80 1i1f s LEU 230 N 0.01 0.99 0.50 2.70 2.96 -1.26 0.11 118.68 124.68 1i1f s LEU 230 Ca 0.42 -0.22 -0.09 0.00 -0.22 0.00 0.00 54.13 54.01 1i1f s LEU 230 Cb -0.21 -0.69 -0.05 0.00 0.50 0.00 0.00 46.19 45.74 1i1f s LEU 230 CO 0.25 -0.14 0.87 0.68 -1.32 0.00 0.00 176.35 176.69 1i1f s VAL 231 N 1.75 4.79 0.36 1.68 -7.23 -1.02 -5.04 120.40 115.68 1i1f s VAL 231 Ca 0.04 0.59 -0.24 0.00 -1.81 0.00 0.00 61.98 60.56 1i1f s VAL 231 Cb -0.13 -3.82 -0.10 0.00 0.56 0.00 0.00 36.38 32.90 1i1f s VAL 231 CO -0.07 -0.82 0.96 -1.83 -0.31 0.00 0.00 175.10 173.03 1i1f s GLU 232 N -4.55 4.43 -0.05 4.82 -1.05 -1.26 -4.64 118.70 116.39 1i1f s GLU 232 Ca 0.52 1.30 -0.31 0.00 -0.15 0.00 0.00 54.97 56.32 1i1f s GLU 232 Cb -0.10 -2.59 -0.10 0.00 -0.44 0.00 0.00 34.13 30.90 1i1f s GLU 232 CO 0.42 0.14 1.99 2.41 0.95 0.00 0.00 175.26 181.16 1i1f n THR 233 N 0.14 0.64 -4.90 1.83 -1.04 -1.26 -4.89 114.28 104.80 1i1f n THR 233 Ca 0.04 -0.17 -0.31 0.00 -2.04 0.00 0.00 64.05 61.56 1i1f n THR 233 Cb 0.51 -2.18 -0.14 0.00 -1.82 0.00 0.00 70.33 66.71 1i1f n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1i1f s ARG 234 N 4.65 2.11 0.32 -2.82 1.70 -0.98 -4.98 118.95 118.94 1i1f s ARG 234 Ca 0.93 -0.94 -0.29 0.00 -0.47 0.00 0.00 55.73 54.96 1i1f s ARG 234 Cb -0.53 -2.15 -0.10 0.00 -0.57 0.00 0.00 34.95 31.60 1i1f s ARG 234 CO 0.45 0.56 1.29 -1.25 -1.08 0.00 0.00 175.30 175.27 1i1f s PRO 235 N -1.08 4.38 0.00 3.89 0.04 -1.26 -1.54 135.00 139.43 1i1f s PRO 235 Ca 0.12 2.17 0.25 0.00 0.04 0.00 0.00 61.00 63.59 1i1f s PRO 235 Cb -0.10 -3.09 0.51 0.00 0.04 0.00 0.00 34.50 31.86 1i1f s PRO 235 CO 0.02 -0.17 1.42 0.00 0.04 0.00 0.00 177.00 178.32 1i1f n ALA 236 N 1.01 3.53 -1.12 8.56 0.00 0.23 -4.86 120.51 127.86 1i1f n ALA 236 Ca 0.01 -0.36 -0.03 0.00 0.00 0.00 0.00 53.44 53.05 1i1f n ALA 236 Cb 0.42 -1.12 -0.01 0.00 0.00 0.00 0.00 19.45 18.74 1i1f n ALA 236 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i1f n GLY 237 N 1.49 0.63 0.33 0.00 0.00 -1.26 -4.86 105.19 101.52 1i1f n GLY 237 Ca 0.06 -0.92 0.01 0.00 0.00 0.00 0.00 46.02 45.17 1i1f n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1i1f n ASP 238 N 1.46 0.30 0.00 1.61 5.75 -1.26 -4.95 116.55 119.46 1i1f n ASP 238 Ca -0.03 -1.89 0.00 0.00 -0.01 0.00 0.00 54.79 52.85 1i1f n ASP 238 Cb 0.12 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.03 1i1f n ASP 238 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1i1f n GLY 239 N -0.16 0.98 3.62 6.12 0.00 -1.26 -5.04 105.19 109.45 1i1f n GLY 239 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 1i1f n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1i1f s THR 240 N -2.91 2.20 0.23 2.61 -4.23 -1.26 -4.82 115.64 107.46 1i1f s THR 240 Ca 0.00 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.62 1i1f s THR 240 Cb 0.00 -2.88 -0.05 0.00 1.34 0.00 0.00 72.50 70.92 1i1f s THR 240 CO 0.00 -0.08 -0.19 -0.36 -0.54 0.00 0.00 174.62 173.45 1i1f s PHE 241 N -2.64 2.37 0.26 3.99 0.40 0.12 -0.60 117.98 121.88 1i1f s PHE 241 Ca 0.35 -0.32 0.06 0.00 -0.60 0.00 0.00 56.93 56.43 1i1f s PHE 241 Cb 0.06 -1.10 -0.06 0.00 0.51 0.00 0.00 43.02 42.43 1i1f s PHE 241 CO 0.18 0.60 -0.07 -0.65 0.70 0.00 0.00 175.22 175.99 1i1f s GLN 242 N -3.13 1.49 -0.23 0.44 -0.21 -0.59 -1.77 119.66 115.66 1i1f s GLN 242 Ca 0.26 -1.74 -0.29 0.00 0.02 0.00 0.00 55.36 53.61 1i1f s GLN 242 Cb -0.07 -1.09 0.16 0.00 1.00 0.00 0.00 33.01 33.01 1i1f s GLN 242 CO 0.13 0.05 1.19 0.21 -2.12 0.00 0.00 175.29 174.75 1i1f s LYS 243 N -3.73 0.32 0.05 2.91 2.20 -0.04 -2.33 119.74 119.13 1i1f s LYS 243 Ca 0.28 0.11 -0.02 0.00 -0.36 0.00 0.00 55.97 55.99 1i1f s LYS 243 Cb 0.03 0.15 -0.04 0.00 -1.51 0.00 0.00 37.83 36.47 1i1f s LYS 243 CO 0.11 -0.09 -0.01 1.67 -0.36 0.00 0.00 175.35 176.66 1i1f s TRP 244 N -0.91 0.48 -0.07 4.03 1.48 -1.26 -0.99 118.94 121.70 1i1f s TRP 244 Ca 0.04 -1.00 0.03 0.00 -1.06 0.00 0.00 56.10 54.10 1i1f s TRP 244 Cb -0.01 -0.35 0.01 0.00 -1.16 0.00 0.00 33.47 31.95 1i1f s TRP 244 CO -0.04 -0.38 -0.15 0.00 -4.06 0.00 0.00 176.95 172.32 1i1f s ALA 245 N -3.79 1.45 0.04 2.67 0.00 -0.88 -2.44 121.76 118.81 1i1f s ALA 245 Ca 0.06 -0.54 0.06 0.00 0.00 0.00 0.00 51.96 51.54 1i1f s ALA 245 Cb 0.07 -0.60 -0.02 0.00 0.00 0.00 0.00 23.12 22.56 1i1f s ALA 245 CO -0.10 0.16 -0.17 0.00 0.00 0.00 0.00 175.76 175.65 1i1f s ALA 246 N 0.55 1.44 -0.02 0.00 0.00 0.29 -0.74 121.76 123.29 1i1f s ALA 246 Ca -0.14 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 50.89 1i1f s ALA 246 Cb -0.16 -0.26 0.02 0.00 0.00 0.00 0.00 23.12 22.72 1i1f s ALA 246 CO 0.05 0.30 0.01 0.54 0.00 0.00 0.00 175.76 176.66 1i1f s VAL 247 N -0.81 0.03 -0.21 0.00 0.11 -0.69 0.23 120.40 119.06 1i1f s VAL 247 Ca 0.04 0.12 -0.20 0.00 -2.93 0.00 0.00 61.98 59.01 1i1f s VAL 247 Cb -0.08 -0.12 -0.02 0.00 -1.53 0.00 0.00 36.38 34.62 1i1f s VAL 247 CO 0.01 0.08 0.62 -0.69 -3.33 0.00 0.00 175.10 171.80 1i1f s VAL 248 N 0.77 5.02 -0.07 2.04 1.01 -1.26 -1.71 120.40 126.21 1i1f s VAL 248 Ca -0.07 1.15 0.05 0.00 0.00 0.00 0.00 61.98 63.11 1i1f s VAL 248 Cb -0.10 -3.93 -0.00 0.00 0.00 0.00 0.00 36.38 32.35 1i1f s VAL 248 CO -0.02 0.10 -0.21 -0.69 0.00 0.00 0.00 175.10 174.28 1i1f s VAL 249 N 2.00 1.80 -0.16 2.92 1.01 0.33 -4.94 120.40 123.35 1i1f s VAL 249 Ca 0.28 -0.90 -0.29 0.00 0.00 0.00 0.00 61.98 61.07 1i1f s VAL 249 Cb -0.16 -1.55 -0.05 0.00 0.00 0.00 0.00 36.38 34.63 1i1f s VAL 249 CO 0.10 0.50 1.96 -2.16 0.00 0.00 0.00 175.10 175.51 1i1f s PRO 250 N 0.14 3.58 0.05 2.72 0.05 -1.26 0.13 135.00 140.40 1i1f s PRO 250 Ca -0.10 2.03 -0.38 0.00 0.05 0.00 0.00 61.00 62.60 1i1f s PRO 250 Cb -0.15 -4.22 -0.18 0.00 0.05 0.00 0.00 34.50 30.00 1i1f s PRO 250 CO 0.05 -1.58 1.19 0.43 0.05 0.00 0.00 177.00 177.14 1i1f n SER 251 N 9.67 0.77 0.00 6.66 7.64 -1.21 -1.07 113.62 136.09 1i1f n SER 251 Ca 0.24 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.26 1i1f n SER 251 Cb 0.44 -1.05 0.00 0.00 -1.01 0.00 0.00 64.21 62.59 1i1f n SER 251 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1i1f n GLY 252 N 1.99 0.34 0.23 0.23 0.00 -1.26 -4.93 105.19 101.79 1i1f n GLY 252 Ca 0.19 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.29 1i1f n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1i1f n GLN 253 N -1.93 1.02 -0.29 1.61 6.02 -0.23 -4.78 117.38 118.79 1i1f n GLN 253 Ca 0.00 -2.31 0.01 0.00 -0.01 0.00 0.00 57.00 54.70 1i1f n GLN 253 Cb 0.00 -1.27 0.21 0.00 1.02 0.00 0.00 30.24 30.20 1i1f n GLN 253 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1i1f h GLU 254 N 0.10 1.08 0.00 -1.09 3.07 -1.93 -2.87 114.58 112.95 1i1f h GLU 254 Ca -0.01 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 1i1f h GLU 254 Cb 1.10 -0.24 0.00 0.00 -0.84 0.00 0.00 28.75 28.77 1i1f h GLU 254 CO 0.00 0.71 0.02 0.00 -1.40 0.00 0.00 179.01 178.34 1i1f n GLN 255 N -4.44 0.12 0.00 2.33 10.64 -1.26 -2.12 117.38 122.66 1i1f n GLN 255 Ca 0.11 0.62 0.11 0.00 -1.83 0.00 0.00 57.00 56.01 1i1f n GLN 255 Cb 0.09 -1.93 -0.03 0.00 -0.86 0.00 0.00 30.24 27.52 1i1f n GLN 255 CO 0.00 0.00 0.00 2.89 -1.83 0.00 0.00 177.06 178.12 1i1f n ARG 256 N -2.18 0.97 -3.54 2.61 1.85 -1.08 -4.90 116.66 110.39 1i1f n ARG 256 Ca -0.01 -0.80 -0.35 0.00 -1.00 0.00 0.00 57.85 55.68 1i1f n ARG 256 Cb 0.04 -1.48 -0.06 0.00 -1.05 0.00 0.00 32.46 29.92 1i1f n ARG 256 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 1i1f s TYR 257 N -2.59 3.62 -0.08 2.89 2.02 -0.90 -1.20 117.35 121.12 1i1f s TYR 257 Ca 0.16 0.86 -0.03 0.00 -0.37 0.00 0.00 57.07 57.69 1i1f s TYR 257 Cb 0.18 -2.21 0.04 0.00 -0.40 0.00 0.00 41.96 39.57 1i1f s TYR 257 CO 0.63 0.54 0.16 0.95 -1.57 0.00 0.00 175.55 176.26 1i1f s THR 258 N -1.33 -0.16 0.18 -0.71 -4.23 -0.37 -4.32 115.64 104.69 1i1f s THR 258 Ca 0.31 0.26 -0.24 0.00 -1.18 0.00 0.00 61.69 60.85 1i1f s THR 258 Cb -0.15 -0.28 -0.08 0.00 1.34 0.00 0.00 72.50 73.33 1i1f s THR 258 CO 0.17 0.11 0.76 0.00 -0.54 0.00 0.00 174.62 175.11 1i1f s HIS 260 N -1.24 2.38 -0.13 0.00 3.76 0.24 -1.99 115.29 118.31 1i1f s HIS 260 Ca 0.37 -0.89 0.02 0.00 -0.15 0.00 0.00 55.06 54.41 1i1f s HIS 260 Cb -0.21 -1.59 0.01 0.00 1.11 0.00 0.00 32.58 31.90 1i1f s HIS 260 CO 0.24 -0.34 -0.18 0.08 -0.85 0.00 0.00 174.74 173.69 1i1f s VAL 261 N 0.22 1.80 -0.15 -0.90 1.01 -0.18 -0.60 120.40 121.60 1i1f s VAL 261 Ca -0.14 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.04 1i1f s VAL 261 Cb -0.16 -1.62 0.02 0.00 0.00 0.00 0.00 36.38 34.61 1i1f s VAL 261 CO 0.07 0.50 -0.19 -1.10 0.00 0.00 0.00 175.10 174.38 1i1f s GLN 262 N 1.00 2.74 -0.12 2.72 -0.21 0.07 -1.29 119.66 124.56 1i1f s GLN 262 Ca -0.04 -0.74 -0.24 0.00 0.02 0.00 0.00 55.36 54.35 1i1f s GLN 262 Cb -0.15 -2.31 0.06 0.00 1.00 0.00 0.00 33.01 31.61 1i1f s GLN 262 CO -0.04 -0.11 0.58 -1.58 -2.12 0.00 0.00 175.29 172.02 1i1f s HIS 263 N 1.08 -0.58 0.53 0.91 2.46 -1.26 -0.78 115.29 117.65 1i1f s HIS 263 Ca -0.02 1.20 0.26 0.00 0.47 0.00 0.00 55.06 56.97 1i1f s HIS 263 Cb -0.14 0.27 1.39 0.00 -0.13 0.00 0.00 32.58 33.98 1i1f s HIS 263 CO -0.06 -0.44 1.97 1.49 -2.47 0.00 0.00 174.74 175.22 1i1f h GLU 264 N 4.13 0.03 0.00 2.88 4.81 -1.91 -0.22 114.58 124.30 1i1f h GLU 264 Ca -0.28 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.94 1i1f h GLU 264 Cb 1.16 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.53 1i1f h GLU 264 CO 0.27 0.02 -0.05 0.78 -0.73 0.00 0.00 179.01 179.30 1i1f h GLY 265 N 0.03 0.00 -5.40 1.92 0.00 -1.75 -3.43 103.07 94.43 1i1f h GLY 265 Ca 0.30 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 46.95 1i1f h GLY 265 CO -0.01 0.00 -0.58 1.08 0.00 0.00 0.00 176.54 177.03 1i1f s LEU 266 N -6.45 3.84 0.20 3.11 1.43 -0.10 -4.14 118.68 116.58 1i1f s LEU 266 Ca -0.01 0.25 0.08 0.00 -1.03 0.00 0.00 54.13 53.42 1i1f s LEU 266 Cb 0.11 -1.90 0.11 0.00 0.03 0.00 0.00 46.19 44.53 1i1f s LEU 266 CO 0.54 0.39 1.46 1.55 0.23 0.00 0.00 176.35 180.52 1i1f h PRO 267 N 5.11 0.03 -5.40 1.29 0.13 -1.84 -3.44 132.00 127.88 1i1f h PRO 267 Ca -0.52 -0.03 -0.59 0.00 -0.87 0.00 0.00 66.00 63.99 1i1f h PRO 267 Cb 1.20 0.01 -0.31 0.00 0.13 0.00 0.00 31.00 32.03 1i1f h PRO 267 CO 0.56 0.80 -0.85 0.21 -0.23 0.00 0.00 178.00 178.49 1i1f s LYS 268 N -3.25 1.95 0.21 0.86 2.20 -1.26 -5.11 119.74 115.33 1i1f s LYS 268 Ca -0.01 -0.66 -0.31 0.00 -0.36 0.00 0.00 55.97 54.64 1i1f s LYS 268 Cb 0.11 -1.67 -0.10 0.00 -1.51 0.00 0.00 37.83 34.67 1i1f s LYS 268 CO 0.79 0.26 1.45 -1.25 -0.36 0.00 0.00 175.35 176.24 1i1f s PRO 269 N 0.03 4.27 0.27 4.03 0.04 -1.26 -4.96 135.00 137.42 1i1f s PRO 269 Ca -0.05 2.27 -0.23 0.00 0.04 0.00 0.00 61.00 63.02 1i1f s PRO 269 Cb -0.12 -3.15 -0.09 0.00 0.04 0.00 0.00 34.50 31.18 1i1f s PRO 269 CO 0.03 -0.45 0.84 -0.51 0.04 0.00 0.00 177.00 176.95 1i1f s LEU 270 N 0.23 4.37 -0.33 -3.56 1.43 -0.41 -4.90 118.68 115.50 1i1f s LEU 270 Ca 0.62 1.66 0.02 0.00 -1.03 0.00 0.00 54.13 55.40 1i1f s LEU 270 Cb -0.41 -3.78 0.10 0.00 0.03 0.00 0.00 46.19 42.13 1i1f s LEU 270 CO 0.38 -0.00 0.08 -0.89 0.23 0.00 0.00 176.35 176.14 1i1f s THR 271 N -1.54 1.73 0.34 5.49 2.01 -1.26 -1.01 115.64 121.40 1i1f s THR 271 Ca 0.46 -2.01 0.07 0.00 0.31 0.00 0.00 61.69 60.52 1i1f s THR 271 Cb -0.18 -2.28 -0.02 0.00 0.01 0.00 0.00 72.50 70.03 1i1f s THR 271 CO 0.23 -0.64 0.37 -1.48 -0.69 0.00 0.00 174.62 172.41 1i1f s LEU 272 N 1.14 3.74 0.01 4.42 0.05 -0.84 -4.95 118.68 122.24 1i1f s LEU 272 Ca 0.11 -0.38 -0.13 0.00 0.05 0.00 0.00 54.13 53.77 1i1f s LEU 272 Cb -0.19 -2.42 0.02 0.00 -2.05 0.00 0.00 46.19 41.55 1i1f s LEU 272 CO -0.14 -0.40 0.28 -0.60 -0.55 0.00 0.00 176.35 174.94 1i1f s ARG 273 N -4.07 0.69 -0.03 1.48 3.52 -1.26 -1.63 118.95 117.64 1i1f s ARG 273 Ca 0.43 -0.34 -0.28 0.00 -0.13 0.00 0.00 55.73 55.41 1i1f s ARG 273 Cb -0.07 0.30 -0.03 0.00 -1.56 0.00 0.00 34.95 33.59 1i1f s ARG 273 CO 0.28 -0.20 0.90 -0.46 -0.81 0.00 0.00 175.30 175.01 1i1f s TRP 274 N -1.80 3.61 0.00 5.12 -0.11 -1.26 -5.04 118.94 119.47 1i1f s TRP 274 Ca -0.10 1.55 0.00 0.00 1.22 0.00 0.00 56.10 58.77 1i1f s TRP 274 Cb -0.04 -3.04 0.00 0.00 -1.50 0.00 0.00 33.47 28.90 1i1f s TRP 274 CO 0.01 -0.01 0.00 0.39 -4.62 0.00 0.00 176.95 172.72