#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i1y s SER 2 N 0.00 6.59 0.14 1.61 0.01 -1.26 -4.05 113.70 116.74 1i1y s SER 2 Ca 0.00 1.28 -0.01 0.00 1.31 0.00 0.00 55.95 58.53 1i1y s SER 2 Cb 0.00 -2.38 -0.04 0.00 0.21 0.00 0.00 66.02 63.81 1i1y s SER 2 CO 0.00 -0.42 0.05 -1.00 0.41 0.00 0.00 173.24 172.29 1i1y s HIS 3 N -2.37 0.91 0.07 2.43 3.76 -0.82 -4.97 115.29 114.29 1i1y s HIS 3 Ca 0.54 -1.22 -0.09 0.00 -0.15 0.00 0.00 55.06 54.14 1i1y s HIS 3 Cb -0.10 -0.51 -0.00 0.00 1.11 0.00 0.00 32.58 33.08 1i1y s HIS 3 CO 0.29 -0.49 0.19 -1.54 -0.85 0.00 0.00 174.74 172.33 1i1y s SER 4 N -3.06 0.10 -0.09 1.40 1.04 -1.26 -1.34 113.70 110.48 1i1y s SER 4 Ca 0.24 -0.57 0.03 0.00 0.48 0.00 0.00 55.95 56.14 1i1y s SER 4 Cb 0.07 0.32 0.01 0.00 0.10 0.00 0.00 66.02 66.52 1i1y s SER 4 CO 0.02 -0.67 -0.20 -0.32 0.98 0.00 0.00 173.24 173.05 1i1y s MET 5 N -3.45 2.60 -0.03 4.02 1.75 -0.53 -0.34 119.30 123.33 1i1y s MET 5 Ca 0.02 -0.72 -0.03 0.00 -1.25 0.00 0.00 55.69 53.71 1i1y s MET 5 Cb 0.03 -2.02 0.01 0.00 2.84 0.00 0.00 34.83 35.69 1i1y s MET 5 CO -0.09 0.11 0.08 1.03 -0.65 0.00 0.00 175.02 175.50 1i1y s ARG 6 N 0.51 0.09 -0.11 4.11 0.52 0.20 -2.03 118.95 122.23 1i1y s ARG 6 Ca -0.16 0.13 0.00 0.00 -0.52 0.00 0.00 55.73 55.18 1i1y s ARG 6 Cb -0.17 0.02 -0.02 0.00 0.52 0.00 0.00 34.95 35.30 1i1y s ARG 6 CO 0.06 -0.03 -0.12 0.71 0.02 0.00 0.00 175.30 175.94 1i1y s TYR 7 N 0.15 2.81 -0.19 -0.53 2.02 -0.23 -0.77 117.35 120.61 1i1y s TYR 7 Ca -0.01 -0.49 -0.02 0.00 -0.37 0.00 0.00 57.07 56.19 1i1y s TYR 7 Cb -0.02 -1.80 -0.00 0.00 -0.40 0.00 0.00 41.96 39.74 1i1y s TYR 7 CO -0.00 -0.09 -0.10 -0.06 -1.57 0.00 0.00 175.55 173.72 1i1y s PHE 8 N 0.08 2.87 -0.13 2.71 0.08 0.02 -2.46 117.98 121.15 1i1y s PHE 8 Ca -0.05 -1.01 0.02 0.00 0.12 0.00 0.00 56.93 56.01 1i1y s PHE 8 Cb -0.14 -1.99 0.02 0.00 -0.57 0.00 0.00 43.02 40.33 1i1y s PHE 8 CO 0.04 -0.51 -0.17 -0.06 -0.10 0.00 0.00 175.22 174.43 1i1y s PHE 9 N 1.12 2.19 -0.12 0.36 0.40 0.18 -1.68 117.98 120.43 1i1y s PHE 9 Ca 0.01 -1.10 0.03 0.00 -0.60 0.00 0.00 56.93 55.26 1i1y s PHE 9 Cb -0.14 -1.56 0.00 0.00 0.51 0.00 0.00 43.02 41.83 1i1y s PHE 9 CO -0.03 -0.56 -0.22 0.99 0.70 0.00 0.00 175.22 176.10 1i1y s THR 10 N 1.07 2.16 -0.09 0.64 2.01 -0.47 -0.98 115.64 119.99 1i1y s THR 10 Ca -0.04 -0.97 0.00 0.00 0.31 0.00 0.00 61.69 60.99 1i1y s THR 10 Cb -0.14 -1.84 0.02 0.00 0.01 0.00 0.00 72.50 70.54 1i1y s THR 10 CO -0.04 0.55 -0.07 -0.55 -0.69 0.00 0.00 174.62 173.82 1i1y s SER 11 N 0.49 1.80 -0.11 3.53 0.15 -0.04 -0.94 113.70 118.58 1i1y s SER 11 Ca -0.15 -0.24 0.01 0.00 0.70 0.00 0.00 55.95 56.28 1i1y s SER 11 Cb -0.17 -0.71 0.02 0.00 -1.71 0.00 0.00 66.02 63.45 1i1y s SER 11 CO 0.05 -0.09 -0.11 -0.69 1.20 0.00 0.00 173.24 173.60 1i1y s VAL 12 N 1.41 1.23 0.34 4.45 1.01 -0.11 -0.87 120.40 127.87 1i1y s VAL 12 Ca -0.02 -0.46 -0.25 0.00 0.00 0.00 0.00 61.98 61.25 1i1y s VAL 12 Cb -0.13 -1.17 -0.10 0.00 0.00 0.00 0.00 36.38 34.97 1i1y s VAL 12 CO -0.04 0.39 0.96 -0.94 0.00 0.00 0.00 175.10 175.47 1i1y s SER 13 N 1.27 7.22 -0.58 3.32 1.04 -0.77 -0.54 113.70 124.65 1i1y s SER 13 Ca -0.02 1.85 0.05 0.00 0.48 0.00 0.00 55.95 58.30 1i1y s SER 13 Cb -0.14 -2.58 0.17 0.00 0.10 0.00 0.00 66.02 63.57 1i1y s SER 13 CO -0.04 -0.15 0.43 -0.13 0.98 0.00 0.00 173.24 174.32 1i1y s ARG 14 N -2.24 1.82 -0.11 4.02 0.52 -1.26 -4.25 118.95 117.45 1i1y s ARG 14 Ca 0.52 -2.83 -0.29 0.00 -0.52 0.00 0.00 55.73 52.62 1i1y s ARG 14 Cb -0.18 -2.60 -0.07 0.00 0.52 0.00 0.00 34.95 32.63 1i1y s ARG 14 CO 0.23 -1.33 2.10 -2.14 0.02 0.00 0.00 175.30 174.18 1i1y s PRO 15 N -0.82 3.58 0.00 3.54 0.02 -1.26 -1.46 135.00 138.60 1i1y s PRO 15 Ca 0.28 2.27 0.00 0.00 0.02 0.00 0.00 61.00 63.57 1i1y s PRO 15 Cb -0.01 -4.28 0.00 0.00 0.02 0.00 0.00 34.50 30.23 1i1y s PRO 15 CO -0.18 -1.60 0.00 0.41 -0.33 0.00 0.00 177.00 175.31 1i1y n GLY 16 N 5.21 0.60 0.00 0.52 0.00 -1.26 -4.89 105.19 105.37 1i1y n GLY 16 Ca 0.25 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1i1y n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i1y n ARG 17 N -2.79 2.55 0.00 1.61 5.12 -0.53 -5.12 116.66 117.50 1i1y n ARG 17 Ca 0.00 -1.35 0.00 0.00 -1.93 0.00 0.00 57.85 54.57 1i1y n ARG 17 Cb 0.00 -0.93 0.00 0.00 -1.16 0.00 0.00 32.46 30.37 1i1y n ARG 17 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1i1y n GLY 18 N -0.43 0.95 3.81 -0.13 0.00 -1.24 -4.99 105.19 103.17 1i1y n GLY 18 Ca 0.00 -1.56 -0.33 0.00 0.00 0.00 0.00 46.02 44.13 1i1y n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i1y s GLU 19 N 0.00 3.75 0.66 1.61 0.41 -1.26 -4.70 118.70 119.17 1i1y s GLU 19 Ca 0.00 1.20 -0.16 0.00 -0.41 0.00 0.00 54.97 55.61 1i1y s GLU 19 Cb 0.00 -2.10 -0.00 0.00 -1.78 0.00 0.00 34.13 30.25 1i1y s GLU 19 CO 0.00 -0.45 1.13 -1.25 -0.49 0.00 0.00 175.26 174.20 1i1y s PRO 20 N -3.63 2.74 0.27 0.39 0.04 -1.26 -4.65 135.00 128.90 1i1y s PRO 20 Ca 0.64 1.50 -0.30 0.00 0.04 0.00 0.00 61.00 62.88 1i1y s PRO 20 Cb -0.14 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.37 1i1y s PRO 20 CO 0.26 -1.31 1.05 0.50 0.04 0.00 0.00 177.00 177.54 1i1y s ARG 21 N -3.94 4.70 -0.06 4.56 6.06 0.29 -4.88 118.95 125.69 1i1y s ARG 21 Ca 0.69 1.71 -0.01 0.00 -2.50 0.00 0.00 55.73 55.63 1i1y s ARG 21 Cb -0.23 -3.22 0.03 0.00 0.06 0.00 0.00 34.95 31.59 1i1y s ARG 21 CO 0.40 0.30 0.00 0.12 -2.50 0.00 0.00 175.30 173.62 1i1y s PHE 22 N -1.15 0.55 -0.10 5.12 5.36 -1.26 -0.93 117.98 125.56 1i1y s PHE 22 Ca 0.43 -0.10 0.02 0.00 -0.96 0.00 0.00 56.93 56.33 1i1y s PHE 22 Cb -0.30 -0.68 -0.01 0.00 -0.34 0.00 0.00 43.02 41.69 1i1y s PHE 22 CO 0.38 -0.26 -0.18 0.42 -1.46 0.00 0.00 175.22 174.12 1i1y s ILE 23 N 1.66 2.61 -0.04 3.12 -1.09 -0.11 -1.20 121.20 126.16 1i1y s ILE 23 Ca -0.00 -0.84 0.07 0.00 -2.23 0.00 0.00 60.65 57.65 1i1y s ILE 23 Cb -0.13 -2.04 -0.01 0.00 -1.58 0.00 0.00 42.46 38.70 1i1y s ILE 23 CO -0.04 0.55 -0.24 0.00 -1.23 0.00 0.00 174.94 173.98 1i1y s ALA 24 N 0.13 2.08 -0.00 9.38 0.00 -0.37 -1.37 121.76 131.61 1i1y s ALA 24 Ca -0.09 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 50.85 1i1y s ALA 24 Cb -0.15 -0.60 -0.00 0.00 0.00 0.00 0.00 23.12 22.36 1i1y s ALA 24 CO 0.06 0.44 -0.03 0.14 0.00 0.00 0.00 175.76 176.37 1i1y s VAL 25 N -0.31 0.23 0.00 0.00 -7.23 -0.68 -0.27 120.40 112.15 1i1y s VAL 25 Ca 0.02 -0.12 0.05 0.00 -1.81 0.00 0.00 61.98 60.12 1i1y s VAL 25 Cb -0.12 -0.21 -0.03 0.00 0.56 0.00 0.00 36.38 36.59 1i1y s VAL 25 CO 0.02 0.07 -0.15 -0.83 -0.31 0.00 0.00 175.10 173.90 1i1y s GLY 26 N -0.02 1.58 0.07 2.32 0.00 -0.65 -0.80 107.32 109.82 1i1y s GLY 26 Ca 0.01 -1.09 0.04 0.00 0.00 0.00 0.00 44.72 43.67 1i1y s GLY 26 CO -0.00 -0.94 -0.11 -0.19 0.00 0.00 0.00 173.10 171.85 1i1y s TYR 27 N -0.87 0.99 -0.23 1.90 1.51 0.05 -0.96 117.35 119.75 1i1y s TYR 27 Ca 0.14 -0.51 0.02 0.00 -1.01 0.00 0.00 57.07 55.71 1i1y s TYR 27 Cb -0.11 -0.56 0.05 0.00 -0.11 0.00 0.00 41.96 41.23 1i1y s TYR 27 CO 0.04 -0.00 -0.13 0.08 -1.11 0.00 0.00 175.55 174.43 1i1y s VAL 28 N -1.54 2.03 0.00 0.71 1.01 -0.56 -0.63 120.40 121.42 1i1y s VAL 28 Ca -0.03 -1.34 0.00 0.00 0.00 0.00 0.00 61.98 60.60 1i1y s VAL 28 Cb -0.09 -2.06 0.00 0.00 0.00 0.00 0.00 36.38 34.23 1i1y s VAL 28 CO 0.01 0.14 0.00 0.47 0.00 0.00 0.00 175.10 175.72 1i1y n ASP 29 N 4.53 0.00 -1.17 3.32 8.00 0.54 -1.30 116.55 130.48 1i1y n ASP 29 Ca -0.16 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.46 1i1y n ASP 29 Cb 0.45 0.00 0.22 0.00 -0.02 0.00 0.00 41.12 41.77 1i1y n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1i1y n ASP 30 N 6.38 3.51 -4.58 -2.24 8.00 -1.26 -4.91 116.55 121.45 1i1y n ASP 30 Ca 0.00 -1.99 -0.37 0.00 0.71 0.00 0.00 54.79 53.14 1i1y n ASP 30 Cb 0.00 -0.27 -0.11 0.00 -0.02 0.00 0.00 41.12 40.72 1i1y n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1i1y s THR 31 N -1.42 4.99 0.19 -3.53 2.01 -0.42 -5.05 115.64 112.42 1i1y s THR 31 Ca 0.39 0.06 -0.30 0.00 0.31 0.00 0.00 61.69 62.15 1i1y s THR 31 Cb 0.23 -3.34 -0.08 0.00 0.01 0.00 0.00 72.50 69.32 1i1y s THR 31 CO 0.31 0.33 1.17 -1.58 -0.69 0.00 0.00 174.62 174.16 1i1y s GLN 32 N 1.34 4.52 0.00 4.92 0.74 -1.26 -1.50 119.66 128.42 1i1y s GLN 32 Ca 0.06 1.84 0.00 0.00 0.05 0.00 0.00 55.36 57.31 1i1y s GLN 32 Cb -0.15 -3.24 0.00 0.00 1.10 0.00 0.00 33.01 30.72 1i1y s GLN 32 CO 0.06 -0.03 0.00 1.97 -0.55 0.00 0.00 175.29 176.74 1i1y n PHE 33 N 2.35 0.00 -4.04 1.67 -1.74 -0.13 -4.26 117.46 111.30 1i1y n PHE 33 Ca 0.03 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.83 1i1y n PHE 33 Cb 0.45 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.36 1i1y n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1i1y s VAL 34 N -1.57 0.11 0.11 1.97 -7.23 -1.23 0.23 120.40 112.79 1i1y s VAL 34 Ca 0.00 -1.64 -0.14 0.00 -1.81 0.00 0.00 61.98 58.39 1i1y s VAL 34 Cb 0.00 -1.82 0.02 0.00 0.56 0.00 0.00 36.38 35.14 1i1y s VAL 34 CO 0.00 -0.51 0.34 0.00 -0.31 0.00 0.00 175.10 174.62 1i1y s ARG 35 N -3.98 0.99 -0.06 4.82 1.70 -0.59 -1.63 118.95 120.19 1i1y s ARG 35 Ca 0.17 -0.75 -0.03 0.00 -0.47 0.00 0.00 55.73 54.65 1i1y s ARG 35 Cb 0.06 0.43 0.04 0.00 -0.57 0.00 0.00 34.95 34.90 1i1y s ARG 35 CO -0.02 -0.37 0.15 0.12 -1.08 0.00 0.00 175.30 174.10 1i1y s PHE 36 N -3.72 -0.16 -0.16 5.89 5.36 0.63 -0.90 117.98 124.92 1i1y s PHE 36 Ca 0.03 0.48 -0.01 0.00 -0.96 0.00 0.00 56.93 56.47 1i1y s PHE 36 Cb 0.02 -0.07 0.04 0.00 -0.34 0.00 0.00 43.02 42.68 1i1y s PHE 36 CO -0.11 -0.16 -0.04 0.34 -1.46 0.00 0.00 175.22 173.79 1i1y s ASP 37 N 1.07 2.76 0.40 6.13 -1.08 -1.26 -1.23 116.67 123.45 1i1y s ASP 37 Ca -0.08 -0.64 0.21 0.00 -0.52 0.00 0.00 52.55 51.52 1i1y s ASP 37 Cb -0.10 -0.86 1.17 0.00 -1.46 0.00 0.00 42.92 41.66 1i1y s ASP 37 CO -0.05 -0.19 1.74 -1.28 0.52 0.00 0.00 175.17 175.90 1i1y h SER 38 N 8.14 0.41 0.25 -0.34 0.87 -1.55 0.20 113.55 121.53 1i1y h SER 38 Ca -0.23 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 1i1y h SER 38 Cb 1.11 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 1i1y h SER 38 CO 0.39 0.02 -0.11 0.47 -0.53 0.00 0.00 176.83 177.07 1i1y n ASP 39 N -4.66 0.67 -4.88 6.23 8.00 -1.26 -4.94 116.55 115.71 1i1y n ASP 39 Ca 0.28 -0.80 -0.30 0.00 0.71 0.00 0.00 54.79 54.68 1i1y n ASP 39 Cb 0.99 -0.02 0.02 0.00 -0.02 0.00 0.00 41.12 42.09 1i1y n ASP 39 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1i1y s ALA 40 N -2.37 3.12 0.20 2.24 0.00 0.69 -4.99 121.76 120.66 1i1y s ALA 40 Ca 0.31 -0.26 0.05 0.00 0.00 0.00 0.00 51.96 52.06 1i1y s ALA 40 Cb 0.20 -2.95 0.09 0.00 0.00 0.00 0.00 23.12 20.47 1i1y s ALA 40 CO 0.45 -0.74 1.45 0.00 0.00 0.00 0.00 175.76 176.93 1i1y h ALA 41 N -0.29 0.66 -0.56 0.00 0.00 -1.92 -3.35 119.26 113.80 1i1y h ALA 41 Ca -0.45 -0.68 -0.03 0.00 0.00 0.00 0.00 54.91 53.75 1i1y h ALA 41 Cb 1.21 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1i1y h ALA 41 CO 0.62 0.89 0.22 0.66 0.00 0.00 0.00 179.25 181.64 1i1y h SER 42 N 0.08 0.79 -4.27 0.00 4.64 -1.94 -3.47 113.55 109.39 1i1y h SER 42 Ca -0.02 -0.18 -0.27 0.00 -0.47 0.00 0.00 61.79 60.85 1i1y h SER 42 Cb 1.38 -0.20 0.09 0.00 -0.31 0.00 0.00 62.40 63.36 1i1y h SER 42 CO 0.11 0.75 -0.46 0.00 -0.87 0.00 0.00 176.83 176.36 1i1y n GLN 43 N -4.48 -5.37 -4.16 4.77 1.13 -1.26 -5.01 117.38 103.00 1i1y n GLN 43 Ca 0.03 0.56 -0.10 0.00 -1.94 0.00 0.00 57.00 55.55 1i1y n GLN 43 Cb 0.17 -4.78 -0.10 0.00 0.11 0.00 0.00 30.24 25.64 1i1y n GLN 43 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1i1y s ARG 44 N -5.87 0.83 0.23 -1.09 0.52 -1.26 -5.04 118.95 107.27 1i1y s ARG 44 Ca 0.39 -1.35 -0.30 0.00 -0.52 0.00 0.00 55.73 53.95 1i1y s ARG 44 Cb -0.17 -0.04 -0.09 0.00 0.52 0.00 0.00 34.95 35.17 1i1y s ARG 44 CO 0.49 -0.09 1.25 1.41 0.02 0.00 0.00 175.30 178.38 1i1y s MET 45 N -3.90 4.44 0.07 3.54 -2.45 -1.26 -4.69 119.30 115.04 1i1y s MET 45 Ca 0.14 2.00 0.08 0.00 -1.25 0.00 0.00 55.69 56.66 1i1y s MET 45 Cb 0.06 -3.19 -0.03 0.00 1.25 0.00 0.00 34.83 32.93 1i1y s MET 45 CO -0.04 -0.14 -0.21 -1.21 1.05 0.00 0.00 175.02 174.47 1i1y s GLU 46 N -0.58 1.30 0.40 4.11 2.02 -0.08 -4.89 118.70 120.99 1i1y s GLU 46 Ca 0.53 -1.03 -0.25 0.00 0.02 0.00 0.00 54.97 54.25 1i1y s GLU 46 Cb -0.35 -1.48 -0.09 0.00 0.10 0.00 0.00 34.13 32.31 1i1y s GLU 46 CO 0.40 0.37 1.11 -1.25 0.02 0.00 0.00 175.26 175.91 1i1y s PRO 47 N -1.44 4.09 -0.01 0.39 0.04 -1.26 -1.54 135.00 135.26 1i1y s PRO 47 Ca 0.07 1.68 0.01 0.00 0.04 0.00 0.00 61.00 62.80 1i1y s PRO 47 Cb -0.09 -2.60 0.02 0.00 0.04 0.00 0.00 34.50 31.86 1i1y s PRO 47 CO 0.03 -0.25 0.82 0.54 0.04 0.00 0.00 177.00 178.18 1i1y n ARG 48 N -0.02 1.65 -3.74 4.56 5.12 0.13 -4.84 116.66 119.52 1i1y n ARG 48 Ca 0.05 -1.16 -0.13 0.00 -1.93 0.00 0.00 57.85 54.68 1i1y n ARG 48 Cb 0.48 -0.82 -0.10 0.00 -1.16 0.00 0.00 32.46 30.86 1i1y n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1i1y s ALA 49 N -0.68 -0.93 0.26 7.54 0.00 -1.24 -4.70 121.76 122.01 1i1y s ALA 49 Ca 0.02 1.04 -0.01 0.00 0.00 0.00 0.00 51.96 53.01 1i1y s ALA 49 Cb 0.01 -0.59 0.57 0.00 0.00 0.00 0.00 23.12 23.11 1i1y s ALA 49 CO 0.00 -0.18 1.72 -1.35 0.00 0.00 0.00 175.76 175.95 1i1y h PRO 50 N 5.48 0.43 0.00 0.00 0.11 -1.95 -2.14 132.00 133.93 1i1y h PRO 50 Ca -0.27 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.80 1i1y h PRO 50 Cb 1.18 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1i1y h PRO 50 CO 0.27 0.28 -0.08 0.11 -0.21 0.00 0.00 178.00 178.38 1i1y h TRP 51 N 0.44 0.00 0.00 0.65 5.08 -1.97 -0.86 115.95 119.28 1i1y h TRP 51 Ca 0.47 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.44 1i1y h TRP 51 Cb 0.79 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.95 1i1y h TRP 51 CO -0.16 0.08 -0.39 1.51 -1.28 0.00 0.00 178.44 178.20 1i1y n ILE 52 N -3.87 0.13 0.29 0.12 0.13 -0.81 -3.66 119.36 111.69 1i1y n ILE 52 Ca -0.02 -0.09 0.14 0.00 -1.10 0.00 0.00 62.75 61.68 1i1y n ILE 52 Cb 0.17 -0.07 0.68 0.00 -0.84 0.00 0.00 39.64 39.59 1i1y n ILE 52 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 1i1y h GLU 53 N 0.00 0.00 0.00 9.51 5.08 -1.19 -2.49 114.58 125.49 1i1y h GLU 53 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1i1y h GLU 53 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1i1y h GLU 53 CO 0.00 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.05 1i1y n GLN 54 N -2.52 0.09 -2.24 2.33 3.00 -1.24 -4.79 117.38 112.00 1i1y n GLN 54 Ca -0.00 0.16 -0.38 0.00 -0.01 0.00 0.00 57.00 56.76 1i1y n GLN 54 Cb 0.15 -1.62 -0.02 0.00 0.00 0.00 0.00 30.24 28.75 1i1y n GLN 54 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 1i1y s GLU 55 N -3.06 4.00 0.00 -1.09 0.41 -0.94 -5.02 118.70 112.99 1i1y s GLU 55 Ca 0.10 1.89 0.00 0.00 -0.41 0.00 0.00 54.97 56.56 1i1y s GLU 55 Cb 0.14 -2.66 0.00 0.00 -1.78 0.00 0.00 34.13 29.83 1i1y s GLU 55 CO 0.47 -0.38 0.00 0.41 -0.49 0.00 0.00 175.26 175.27 1i1y n GLY 56 N 0.63 1.17 0.35 -1.39 0.00 -1.26 -4.88 105.19 99.80 1i1y n GLY 56 Ca 0.05 -1.97 0.02 0.00 0.00 0.00 0.00 46.02 44.11 1i1y n GLY 56 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1i1y h PRO 57 N 0.00 0.91 -0.86 1.61 0.13 -1.98 -1.72 132.00 130.09 1i1y h PRO 57 Ca 0.00 -0.05 0.01 0.00 -0.87 0.00 0.00 66.00 65.08 1i1y h PRO 57 Cb 0.00 -0.21 -0.04 0.00 0.13 0.00 0.00 31.00 30.88 1i1y h PRO 57 CO 0.00 0.60 0.56 1.49 -0.23 0.00 0.00 178.00 180.42 1i1y h GLU 58 N 0.94 1.14 0.83 0.86 4.22 -1.98 0.27 114.58 120.86 1i1y h GLU 58 Ca 0.27 -0.08 -0.04 0.00 0.08 0.00 0.00 59.36 59.60 1i1y h GLU 58 Cb -0.05 -0.25 0.01 0.00 0.50 0.00 0.00 28.75 28.96 1i1y h GLU 58 CO -0.07 0.77 -0.40 -0.92 -2.18 0.00 0.00 179.01 176.21 1i1y h TYR 59 N 1.17 -1.04 -0.51 0.92 3.20 -1.69 -1.89 116.97 117.13 1i1y h TYR 59 Ca 0.31 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.14 1i1y h TYR 59 Cb -0.12 0.34 -0.03 0.00 1.54 0.00 0.00 36.73 38.47 1i1y h TYR 59 CO -0.01 -0.64 0.23 -1.49 -1.64 0.00 0.00 178.16 174.61 1i1y h TRP 60 N -1.14 0.72 -0.42 -3.82 4.06 -1.24 -0.60 115.95 113.51 1i1y h TRP 60 Ca -0.11 -0.02 -0.10 0.00 2.06 0.00 0.00 58.89 60.71 1i1y h TRP 60 Cb 0.86 -0.23 -0.01 0.00 -1.00 0.00 0.00 29.16 28.78 1i1y h TRP 60 CO -0.01 0.54 -0.12 -0.44 -3.56 0.00 0.00 178.44 174.85 1i1y h ASP 61 N 0.72 0.84 -0.50 -3.49 3.32 -0.46 -1.70 116.42 115.15 1i1y h ASP 61 Ca 0.18 -0.37 -0.07 0.00 0.02 0.00 0.00 57.03 56.79 1i1y h ASP 61 Cb 0.11 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 1i1y h ASP 61 CO -0.02 1.02 0.04 1.23 -1.72 0.00 0.00 179.24 179.78 1i1y h GLY 62 N 0.65 0.92 1.22 2.75 0.00 -0.96 -0.87 103.07 106.78 1i1y h GLY 62 Ca 0.10 -0.65 -0.09 0.00 0.00 0.00 0.00 47.33 46.69 1i1y h GLY 62 CO 0.05 0.60 -0.03 0.83 0.00 0.00 0.00 176.54 177.99 1i1y h GLU 63 N 0.72 0.94 -0.13 4.80 4.39 -1.01 -1.55 114.58 122.74 1i1y h GLU 63 Ca 0.15 -0.29 -0.01 0.00 0.34 0.00 0.00 59.36 59.55 1i1y h GLU 63 Cb 0.46 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 1i1y h GLU 63 CO 0.02 0.95 0.05 1.15 -1.16 0.00 0.00 179.01 180.01 1i1y h THR 64 N 0.86 1.16 -0.44 1.13 2.02 -1.21 0.95 112.91 117.37 1i1y h THR 64 Ca 0.15 -0.50 0.06 0.00 0.77 0.00 0.00 66.41 66.89 1i1y h THR 64 Cb 0.55 1.25 -0.05 0.00 -1.74 0.00 0.00 68.15 68.16 1i1y h THR 64 CO 0.03 0.15 0.15 -0.09 0.37 0.00 0.00 175.52 176.13 1i1y h ARG 65 N 0.05 0.31 -0.20 6.66 2.43 -0.81 -1.96 114.38 120.85 1i1y h ARG 65 Ca 0.04 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 59.05 1i1y h ARG 65 Cb 0.19 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 1i1y h ARG 65 CO -0.00 0.21 -0.48 0.87 -1.51 0.00 0.00 179.97 179.06 1i1y h LYS 66 N 0.32 0.54 -0.29 0.20 1.57 -1.00 -2.99 116.57 114.93 1i1y h LYS 66 Ca 0.21 -0.31 -0.10 0.00 -1.87 0.00 0.00 60.65 58.58 1i1y h LYS 66 Cb 0.21 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1i1y h LYS 66 CO -0.22 0.90 -0.26 -0.24 -0.57 0.00 0.00 179.45 179.06 1i1y h VAL 67 N 0.43 1.27 -0.41 0.50 3.04 -0.50 -1.05 116.25 119.54 1i1y h VAL 67 Ca 0.02 -1.32 -0.06 0.00 -1.01 0.00 0.00 66.70 64.33 1i1y h VAL 67 Cb 1.00 1.34 -0.02 0.00 -2.01 0.00 0.00 31.29 31.59 1i1y h VAL 67 CO 0.09 0.42 -0.01 0.11 -1.01 0.00 0.00 177.57 177.17 1i1y h LYS 68 N 0.49 0.67 -0.53 4.17 1.57 -1.36 -1.07 116.57 120.51 1i1y h LYS 68 Ca 0.07 -0.17 -0.10 0.00 -1.87 0.00 0.00 60.65 58.58 1i1y h LYS 68 Cb 0.71 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.92 1i1y h LYS 68 CO 0.05 0.69 -0.06 0.00 -0.57 0.00 0.00 179.45 179.57 1i1y h ALA 69 N 1.36 0.72 -0.02 3.86 0.00 -1.21 -1.53 119.26 122.45 1i1y h ALA 69 Ca 0.13 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.73 1i1y h ALA 69 Cb 0.41 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1i1y h ALA 69 CO 0.02 0.59 -0.06 0.45 0.00 0.00 0.00 179.25 180.24 1i1y h HIS 70 N 0.85 -0.16 -0.35 0.00 3.86 -0.96 -2.08 115.15 116.31 1i1y h HIS 70 Ca 0.14 0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.41 1i1y h HIS 70 Cb 0.61 0.08 -0.05 0.00 1.06 0.00 0.00 27.41 29.11 1i1y h HIS 70 CO 0.04 -0.10 0.07 1.03 0.86 0.00 0.00 177.93 179.83 1i1y h SER 71 N -0.10 0.02 -0.91 2.45 0.87 -1.09 -0.49 113.55 114.29 1i1y h SER 71 Ca 0.03 0.06 0.02 0.00 -1.23 0.00 0.00 61.79 60.67 1i1y h SER 71 Cb 0.15 0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 62.13 1i1y h SER 71 CO -0.08 0.05 0.60 1.56 -0.53 0.00 0.00 176.83 178.43 1i1y h GLN 72 N 0.19 1.16 -0.50 2.24 1.08 -1.13 0.45 115.11 118.60 1i1y h GLN 72 Ca 0.16 -0.07 -0.10 0.00 -1.45 0.00 0.00 58.65 57.20 1i1y h GLN 72 Cb 0.18 -0.26 -0.02 0.00 -0.05 0.00 0.00 27.48 27.33 1i1y h GLN 72 CO -0.21 0.77 -0.08 1.15 -0.95 0.00 0.00 178.83 179.51 1i1y h THR 73 N 1.19 1.26 0.00 -0.54 2.02 -0.58 -2.31 112.91 113.95 1i1y h THR 73 Ca 0.35 -1.18 -0.07 0.00 0.77 0.00 0.00 66.41 66.28 1i1y h THR 73 Cb -0.06 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 1i1y h THR 73 CO -0.09 0.41 -0.35 0.45 0.37 0.00 0.00 175.52 176.31 1i1y h HIS 74 N 0.82 0.00 -0.25 3.16 3.86 -0.13 0.39 115.15 123.00 1i1y h HIS 74 Ca 0.14 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.18 1i1y h HIS 74 Cb 0.59 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.06 1i1y h HIS 74 CO 0.04 0.35 -0.52 -0.09 0.86 0.00 0.00 177.93 178.56 1i1y h ARG 75 N 0.00 0.70 -0.14 2.45 2.43 -0.42 -2.47 114.38 116.94 1i1y h ARG 75 Ca -0.00 -0.43 -0.22 0.00 -0.81 0.00 0.00 59.98 58.52 1i1y h ARG 75 Cb 0.65 0.04 0.01 0.00 -0.42 0.00 0.00 29.97 30.25 1i1y h ARG 75 CO 0.05 1.05 -0.79 0.28 -1.51 0.00 0.00 179.97 179.05 1i1y h VAL 76 N 0.55 1.29 -0.87 0.20 2.07 -1.15 -3.24 116.25 115.10 1i1y h VAL 76 Ca 0.02 -2.01 0.12 0.00 0.82 0.00 0.00 66.70 65.65 1i1y h VAL 76 Cb 1.09 2.02 -0.08 0.00 -1.52 0.00 0.00 31.29 32.79 1i1y h VAL 76 CO 0.11 0.63 0.50 0.44 0.02 0.00 0.00 177.57 179.27 1i1y h ASP 77 N 0.50 0.68 -1.01 0.57 3.32 -0.75 -1.93 116.42 117.80 1i1y h ASP 77 Ca -0.05 0.06 0.04 0.00 0.02 0.00 0.00 57.03 57.10 1i1y h ASP 77 Cb 1.41 -0.06 -0.06 0.00 0.22 0.00 0.00 39.33 40.84 1i1y h ASP 77 CO 0.16 0.35 0.66 -0.07 -1.72 0.00 0.00 179.24 178.62 1i1y h LEU 78 N 0.78 1.09 -0.36 1.55 3.38 -1.46 -2.39 115.31 117.89 1i1y h LEU 78 Ca 0.44 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 58.23 1i1y h LEU 78 Cb 0.50 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1i1y h LEU 78 CO -0.29 0.74 -0.53 1.23 0.09 0.00 0.00 178.44 179.67 1i1y h GLY 79 N 1.26 0.89 0.98 0.83 0.00 -1.58 -2.75 103.07 102.70 1i1y h GLY 79 Ca 0.41 -1.02 0.00 0.00 0.00 0.00 0.00 47.33 46.72 1i1y h GLY 79 CO -0.13 0.92 0.10 -0.84 0.00 0.00 0.00 176.54 176.58 1i1y h THR 80 N 0.63 1.05 -0.67 4.70 2.02 -1.03 -0.84 112.91 118.78 1i1y h THR 80 Ca 0.02 -0.12 -0.06 0.00 0.77 0.00 0.00 66.41 67.02 1i1y h THR 80 Cb 1.12 0.86 -0.03 0.00 -1.74 0.00 0.00 68.15 68.37 1i1y h THR 80 CO 0.12 0.05 0.19 -0.07 0.37 0.00 0.00 175.52 176.18 1i1y h LEU 81 N 0.19 0.99 -0.70 2.58 3.38 -1.52 0.10 115.31 120.33 1i1y h LEU 81 Ca 0.06 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.81 1i1y h LEU 81 Cb 0.00 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 1i1y h LEU 81 CO -0.01 0.94 0.46 -0.09 0.09 0.00 0.00 178.44 179.84 1i1y h ARG 82 N 0.98 0.93 -0.57 1.13 2.43 -1.33 0.66 114.38 118.61 1i1y h ARG 82 Ca 0.21 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.24 1i1y h ARG 82 Cb 0.32 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 1i1y h ARG 82 CO -0.00 0.62 0.04 0.78 -1.51 0.00 0.00 179.97 179.90 1i1y h GLY 83 N 0.95 1.05 1.21 2.80 0.00 -0.75 0.26 103.07 108.59 1i1y h GLY 83 Ca 0.26 -0.74 -0.03 0.00 0.00 0.00 0.00 47.33 46.82 1i1y h GLY 83 CO -0.05 0.68 0.34 -0.97 0.00 0.00 0.00 176.54 176.54 1i1y h TYR 84 N 0.86 1.02 -0.43 5.60 0.05 0.34 -2.00 116.97 122.41 1i1y h TYR 84 Ca 0.17 -0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.90 1i1y h TYR 84 Cb 0.48 -0.32 0.00 0.00 1.01 0.00 0.00 36.73 37.91 1i1y h TYR 84 CO 0.04 0.74 0.00 0.66 -1.05 0.00 0.00 178.16 178.55 1i1y n TYR 85 N -4.33 0.57 -3.60 4.88 4.01 0.11 -4.94 117.16 113.86 1i1y n TYR 85 Ca 0.07 -0.28 -0.28 0.00 -0.16 0.00 0.00 57.90 57.25 1i1y n TYR 85 Cb 0.14 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.22 1i1y n TYR 85 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1i1y n ASN 86 N 1.14 -5.30 -4.83 7.72 5.15 -0.70 -4.96 115.26 113.47 1i1y n ASN 86 Ca 0.19 -0.95 -0.30 0.00 -0.60 0.00 0.00 54.58 52.92 1i1y n ASN 86 Cb 0.50 -3.76 -0.05 0.00 -0.53 0.00 0.00 39.78 35.94 1i1y n ASN 86 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1i1y s GLN 87 N -5.68 3.08 0.59 1.20 -0.21 0.83 -5.03 119.66 114.44 1i1y s GLN 87 Ca 0.44 -0.62 -0.19 0.00 0.02 0.00 0.00 55.36 55.01 1i1y s GLN 87 Cb -0.14 -2.83 -0.04 0.00 1.00 0.00 0.00 33.01 31.01 1i1y s GLN 87 CO 0.84 0.57 1.20 0.45 -2.12 0.00 0.00 175.29 176.22 1i1y s SER 88 N -2.52 5.24 0.00 5.90 0.15 -1.26 -4.78 113.70 116.43 1i1y s SER 88 Ca 0.31 2.35 0.27 0.00 0.70 0.00 0.00 55.95 59.59 1i1y s SER 88 Cb -0.12 -2.60 1.45 0.00 -1.71 0.00 0.00 66.02 63.04 1i1y s SER 88 CO 0.24 -1.56 1.95 1.21 1.20 0.00 0.00 173.24 176.29 1i1y n GLU 89 N -1.59 1.22 0.08 5.44 2.13 -1.26 -3.58 120.64 123.09 1i1y n GLU 89 Ca 0.13 -0.32 0.11 0.00 0.66 0.00 0.00 57.16 57.75 1i1y n GLU 89 Cb 0.50 -1.44 -0.03 0.00 0.27 0.00 0.00 31.44 30.73 1i1y n GLU 89 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1i1y n ALA 90 N -0.57 2.60 -2.28 4.31 0.00 -1.26 -4.75 120.51 118.55 1i1y n ALA 90 Ca 0.20 -0.30 -0.31 0.00 0.00 0.00 0.00 53.44 53.04 1i1y n ALA 90 Cb 0.18 -1.03 -0.04 0.00 0.00 0.00 0.00 19.45 18.55 1i1y n ALA 90 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1i1y s GLY 91 N -4.38 2.09 -0.16 0.00 0.00 -1.23 -4.76 107.32 98.88 1i1y s GLY 91 Ca -0.02 -0.22 -0.21 0.00 0.00 0.00 0.00 44.72 44.26 1i1y s GLY 91 CO 0.82 -0.06 0.64 -0.45 0.00 0.00 0.00 173.10 174.05 1i1y s SER 92 N -2.78 6.76 0.24 1.64 0.15 -1.26 -4.75 113.70 113.71 1i1y s SER 92 Ca 0.50 0.92 0.10 0.00 0.70 0.00 0.00 55.95 58.17 1i1y s SER 92 Cb -0.11 -2.36 -0.04 0.00 -1.71 0.00 0.00 66.02 61.80 1i1y s SER 92 CO 0.26 -0.22 -0.08 -1.00 1.20 0.00 0.00 173.24 173.40 1i1y s HIS 93 N 1.57 2.59 -0.12 3.44 3.76 -1.26 -4.95 115.29 120.32 1i1y s HIS 93 Ca 0.31 -0.25 0.02 0.00 -0.15 0.00 0.00 55.06 54.99 1i1y s HIS 93 Cb -0.16 -1.18 -0.00 0.00 1.11 0.00 0.00 32.58 32.35 1i1y s HIS 93 CO 0.12 0.61 -0.20 0.99 -0.85 0.00 0.00 174.74 175.41 1i1y s THR 94 N -2.17 2.39 -0.08 1.30 2.01 -1.26 -1.85 115.64 115.98 1i1y s THR 94 Ca 0.29 -0.89 0.02 0.00 0.31 0.00 0.00 61.69 61.41 1i1y s THR 94 Cb -0.07 -1.96 -0.02 0.00 0.01 0.00 0.00 72.50 70.46 1i1y s THR 94 CO 0.17 0.54 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.84 1i1y s VAL 95 N 0.44 3.30 -0.00 3.82 1.01 -0.05 0.36 120.40 129.28 1i1y s VAL 95 Ca -0.14 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.25 1i1y s VAL 95 Cb -0.17 -2.34 -0.01 0.00 0.00 0.00 0.00 36.38 33.87 1i1y s VAL 95 CO 0.06 0.57 -0.10 -1.10 0.00 0.00 0.00 175.10 174.53 1i1y s GLN 96 N -0.47 0.82 -0.03 2.72 -0.21 -0.58 -0.86 119.66 121.05 1i1y s GLN 96 Ca 0.06 -0.40 0.01 0.00 0.02 0.00 0.00 55.36 55.05 1i1y s GLN 96 Cb -0.12 -0.80 0.01 0.00 1.00 0.00 0.00 33.01 33.11 1i1y s GLN 96 CO 0.02 0.22 -0.05 0.50 -2.12 0.00 0.00 175.29 173.85 1i1y s ARG 97 N -0.34 0.71 -0.04 2.91 3.52 -0.15 -0.58 118.95 124.98 1i1y s ARG 97 Ca 0.03 -0.14 0.02 0.00 -0.13 0.00 0.00 55.73 55.51 1i1y s ARG 97 Cb -0.04 -0.71 0.01 0.00 -1.56 0.00 0.00 34.95 32.64 1i1y s ARG 97 CO -0.00 -0.00 -0.08 1.41 -0.81 0.00 0.00 175.30 175.81 1i1y s MET 98 N 0.55 1.08 0.10 5.12 1.75 -0.67 -0.64 119.30 126.58 1i1y s MET 98 Ca -0.07 -0.27 -0.09 0.00 -1.25 0.00 0.00 55.69 54.02 1i1y s MET 98 Cb -0.11 -0.98 -0.00 0.00 2.84 0.00 0.00 34.83 36.58 1i1y s MET 98 CO 0.00 0.04 0.20 1.52 -0.65 0.00 0.00 175.02 176.12 1i1y s TYR 99 N 0.51 0.18 -5.00 4.11 -0.85 -1.03 -1.02 117.35 114.24 1i1y s TYR 99 Ca -0.08 -0.60 0.00 0.00 -0.52 0.00 0.00 57.07 55.87 1i1y s TYR 99 Cb -0.12 -0.06 0.00 0.00 0.38 0.00 0.00 41.96 42.16 1i1y s TYR 99 CO 0.01 -0.56 0.00 0.41 -1.52 0.00 0.00 175.55 173.89 1i1y n GLY 100 N -0.07 -1.69 3.07 5.49 0.00 -0.86 -1.07 105.19 110.06 1i1y n GLY 100 Ca -0.14 -1.29 -0.10 0.00 0.00 0.00 0.00 46.02 44.49 1i1y n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i1y s ASP 102 N -2.25 3.59 0.14 0.00 1.01 -0.29 -1.45 116.67 117.43 1i1y s ASP 102 Ca -0.02 -0.48 0.06 0.00 0.71 0.00 0.00 52.55 52.82 1i1y s ASP 102 Cb -0.01 -0.50 -0.04 0.00 1.01 0.00 0.00 42.92 43.37 1i1y s ASP 102 CO -0.04 0.26 -0.14 0.68 0.21 0.00 0.00 175.17 176.13 1i1y s VAL 103 N -0.89 1.42 0.00 -1.27 -7.23 -0.45 -0.74 120.40 111.24 1i1y s VAL 103 Ca 0.14 -1.87 0.00 0.00 -1.81 0.00 0.00 61.98 58.44 1i1y s VAL 103 Cb -0.10 -1.69 0.00 0.00 0.56 0.00 0.00 36.38 35.14 1i1y s VAL 103 CO 0.04 -0.49 0.00 0.61 -0.31 0.00 0.00 175.10 174.95 1i1y n GLY 104 N 0.25 0.94 0.28 2.32 0.00 -0.64 -1.95 105.19 106.38 1i1y n GLY 104 Ca -0.13 -1.85 0.16 0.00 0.00 0.00 0.00 46.02 44.20 1i1y n GLY 104 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1i1y h SER 105 N 0.00 0.00 -0.07 1.61 4.64 -1.91 -1.93 113.55 115.88 1i1y h SER 105 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1i1y h SER 105 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1i1y h SER 105 CO 0.00 0.07 0.00 -0.90 -0.87 0.00 0.00 176.83 175.13 1i1y n ASP 106 N -3.32 1.32 -1.13 4.97 5.68 -1.26 -4.57 116.55 118.24 1i1y n ASP 106 Ca -0.01 -1.54 -0.11 0.00 -0.50 0.00 0.00 54.79 52.63 1i1y n ASP 106 Cb 0.26 -0.04 -0.02 0.00 -1.14 0.00 0.00 41.12 40.17 1i1y n ASP 106 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1i1y n TRP 107 N 0.06 -0.32 -4.54 2.11 7.02 -0.73 -5.01 117.44 116.03 1i1y n TRP 107 Ca 0.18 0.00 -0.31 0.00 -1.02 0.00 0.00 57.50 56.35 1i1y n TRP 107 Cb 0.30 -2.43 -0.11 0.00 -2.42 0.00 0.00 31.31 26.64 1i1y n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1i1y s ARG 108 N -3.92 2.29 -0.15 -0.99 0.52 -1.26 -4.80 118.95 110.64 1i1y s ARG 108 Ca 0.00 -0.87 -0.40 0.00 -0.52 0.00 0.00 55.73 53.94 1i1y s ARG 108 Cb 0.00 -2.33 -0.19 0.00 0.52 0.00 0.00 34.95 32.95 1i1y s ARG 108 CO 0.00 0.56 1.17 0.34 0.02 0.00 0.00 175.30 177.39 1i1y n PHE 109 N 1.49 0.94 -0.01 -0.53 7.35 -1.26 -1.62 117.46 123.82 1i1y n PHE 109 Ca -0.16 1.03 -0.01 0.00 -0.76 0.00 0.00 57.45 57.55 1i1y n PHE 109 Cb 0.52 -2.01 -0.01 0.00 0.35 0.00 0.00 39.48 38.33 1i1y n PHE 109 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 1i1y n LEU 110 N 2.17 2.50 -3.52 -2.13 7.94 0.08 -4.82 117.00 119.22 1i1y n LEU 110 Ca 0.22 -0.01 -0.08 0.00 -1.11 0.00 0.00 56.01 55.04 1i1y n LEU 110 Cb 0.03 -0.04 -0.02 0.00 0.53 0.00 0.00 43.42 43.92 1i1y n LEU 110 CO 0.66 0.44 0.76 0.00 -1.11 0.00 0.00 177.39 178.14 1i1y s ARG 111 N -2.03 0.71 0.01 1.96 1.70 -1.10 -5.00 118.95 115.20 1i1y s ARG 111 Ca -0.02 -0.24 0.02 0.00 -0.47 0.00 0.00 55.73 55.02 1i1y s ARG 111 Cb 0.00 0.33 -0.01 0.00 -0.57 0.00 0.00 34.95 34.70 1i1y s ARG 111 CO 0.04 -0.30 -0.06 0.20 -1.08 0.00 0.00 175.30 174.09 1i1y s GLY 112 N -2.35 0.33 0.06 3.88 0.00 -1.26 -1.14 107.32 106.84 1i1y s GLY 112 Ca 0.05 -0.43 0.03 0.00 0.00 0.00 0.00 44.72 44.38 1i1y s GLY 112 CO -0.08 -0.43 -0.10 -0.19 0.00 0.00 0.00 173.10 172.31 1i1y s TYR 113 N -0.65 0.89 -0.31 1.90 1.51 -0.24 -4.83 117.35 115.62 1i1y s TYR 113 Ca -0.04 -0.54 0.04 0.00 -1.01 0.00 0.00 57.07 55.53 1i1y s TYR 113 Cb -0.05 -0.51 0.19 0.00 -0.11 0.00 0.00 41.96 41.48 1i1y s TYR 113 CO -0.00 -0.04 0.65 -1.58 -1.11 0.00 0.00 175.55 173.48 1i1y s HIS 114 N -1.65 -1.67 0.18 2.71 2.46 -1.25 -2.02 115.29 114.05 1i1y s HIS 114 Ca -0.04 0.85 0.11 0.00 0.47 0.00 0.00 55.06 56.45 1i1y s HIS 114 Cb -0.08 0.29 -0.04 0.00 -0.13 0.00 0.00 32.58 32.62 1i1y s HIS 114 CO 0.01 -1.00 -0.23 -0.65 -2.47 0.00 0.00 174.74 170.40 1i1y s GLN 115 N 2.67 1.45 -0.04 2.88 -0.21 -0.19 -0.34 119.66 125.88 1i1y s GLN 115 Ca 0.13 -1.48 -0.04 0.00 0.02 0.00 0.00 55.36 53.99 1i1y s GLN 115 Cb -0.08 -1.73 0.01 0.00 1.00 0.00 0.00 33.01 32.22 1i1y s GLN 115 CO -0.22 0.37 0.12 -0.47 -2.12 0.00 0.00 175.29 172.97 1i1y s TYR 116 N -1.70 -0.12 0.04 0.91 6.14 0.48 -1.66 117.35 121.44 1i1y s TYR 116 Ca 0.19 0.28 0.03 0.00 0.64 0.00 0.00 57.07 58.21 1i1y s TYR 116 Cb -0.08 0.04 -0.02 0.00 0.42 0.00 0.00 41.96 42.32 1i1y s TYR 116 CO 0.09 -0.08 -0.09 0.00 0.64 0.00 0.00 175.55 176.11 1i1y s ALA 117 N -0.04 0.67 -0.16 3.97 0.00 0.26 -1.03 121.76 125.42 1i1y s ALA 117 Ca -0.01 -0.78 0.01 0.00 0.00 0.00 0.00 51.96 51.18 1i1y s ALA 117 Cb -0.01 0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.14 1i1y s ALA 117 CO 0.00 0.02 -0.17 -0.47 0.00 0.00 0.00 175.76 175.14 1i1y s TYR 118 N -1.31 2.47 -1.50 0.00 5.04 -0.67 -1.53 117.35 119.85 1i1y s TYR 118 Ca -0.08 -1.41 -0.08 0.00 -2.44 0.00 0.00 57.07 53.06 1i1y s TYR 118 Cb -0.10 -1.75 0.06 0.00 0.35 0.00 0.00 41.96 40.53 1i1y s TYR 118 CO 0.01 -0.72 0.70 -0.25 -1.34 0.00 0.00 175.55 173.95 1i1y n ASP 119 N 4.63 -2.37 0.00 4.32 8.00 0.16 -2.05 116.55 129.24 1i1y n ASP 119 Ca -0.19 -0.92 0.00 0.00 0.71 0.00 0.00 54.79 54.39 1i1y n ASP 119 Cb 0.50 -3.37 0.00 0.00 -0.02 0.00 0.00 41.12 38.24 1i1y n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i1y n GLY 120 N -1.70 0.87 3.41 0.44 0.00 -1.26 -5.00 105.19 101.96 1i1y n GLY 120 Ca -0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 1i1y n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i1y s LYS 121 N -0.17 2.11 0.05 1.61 1.02 -0.87 -5.08 119.74 118.40 1i1y s LYS 121 Ca 0.00 -0.94 -0.37 0.00 0.02 0.00 0.00 55.97 54.68 1i1y s LYS 121 Cb 0.00 -2.16 -0.16 0.00 -0.52 0.00 0.00 37.83 34.99 1i1y s LYS 121 CO 0.00 0.55 1.40 -0.25 -0.92 0.00 0.00 175.35 176.14 1i1y n ASP 122 N 1.89 1.83 -0.01 2.83 8.00 -1.26 -1.68 116.55 128.15 1i1y n ASP 122 Ca -0.16 1.11 -0.04 0.00 0.71 0.00 0.00 54.79 56.41 1i1y n ASP 122 Cb 0.52 -1.20 -0.01 0.00 -0.02 0.00 0.00 41.12 40.41 1i1y n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1i1y n TYR 123 N 2.90 0.00 -3.79 1.24 9.36 -0.20 -4.79 117.16 121.89 1i1y n TYR 123 Ca 0.19 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.29 1i1y n TYR 123 Cb 0.19 -0.20 -0.11 0.00 -0.63 0.00 0.00 39.34 38.59 1i1y n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1i1y s ILE 124 N -2.34 0.01 -0.04 2.97 2.07 -1.02 -4.07 121.20 118.79 1i1y s ILE 124 Ca -0.12 -0.12 -0.03 0.00 -1.41 0.00 0.00 60.65 58.98 1i1y s ILE 124 Cb 0.02 -0.39 0.01 0.00 0.13 0.00 0.00 42.46 42.23 1i1y s ILE 124 CO 0.17 -0.07 0.09 0.00 -1.91 0.00 0.00 174.94 173.23 1i1y s ALA 125 N -0.17 -0.20 0.18 1.50 0.00 -1.07 -0.39 121.76 121.61 1i1y s ALA 125 Ca -0.03 0.31 -0.30 0.00 0.00 0.00 0.00 51.96 51.94 1i1y s ALA 125 Cb -0.03 -0.19 -0.09 0.00 0.00 0.00 0.00 23.12 22.81 1i1y s ALA 125 CO 0.01 -0.06 1.37 -1.17 0.00 0.00 0.00 175.76 175.91 1i1y s LEU 126 N 0.29 4.39 0.80 0.00 2.96 0.54 -1.92 118.68 125.75 1i1y s LEU 126 Ca -0.02 2.43 -0.12 0.00 -0.22 0.00 0.00 54.13 56.20 1i1y s LEU 126 Cb -0.03 -3.60 0.07 0.00 0.50 0.00 0.00 46.19 43.13 1i1y s LEU 126 CO -0.01 -0.61 1.13 -0.54 -1.32 0.00 0.00 176.35 175.00 1i1y s LYS 127 N 0.30 2.03 0.52 1.98 1.02 0.09 -4.65 119.74 121.02 1i1y s LYS 127 Ca 0.60 0.38 0.16 0.00 0.02 0.00 0.00 55.97 57.14 1i1y s LYS 127 Cb -0.38 -1.93 1.26 0.00 -0.52 0.00 0.00 37.83 36.26 1i1y s LYS 127 CO 0.36 -1.60 2.13 1.49 -0.92 0.00 0.00 175.35 176.81 1i1y h GLU 128 N -1.07 0.03 0.00 1.68 4.81 -1.89 -0.77 114.58 117.38 1i1y h GLU 128 Ca -0.47 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1i1y h GLU 128 Cb 1.30 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.67 1i1y h GLU 128 CO 0.63 0.02 0.00 -0.40 -0.73 0.00 0.00 179.01 178.53 1i1y n ASP 129 N -4.52 0.00 -2.68 1.04 5.68 -1.26 -4.85 116.55 109.96 1i1y n ASP 129 Ca -0.01 0.20 -0.20 0.00 -0.50 0.00 0.00 54.79 54.27 1i1y n ASP 129 Cb 0.14 -0.35 0.01 0.00 -1.14 0.00 0.00 41.12 39.78 1i1y n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1i1y n LEU 130 N -1.35 -2.03 0.00 -2.12 4.77 -0.29 -4.78 117.00 111.20 1i1y n LEU 130 Ca 0.06 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1i1y n LEU 130 Cb 0.13 -2.77 0.00 0.00 -2.33 0.00 0.00 43.42 38.45 1i1y n LEU 130 CO 0.12 -0.03 -0.14 0.54 -1.33 0.00 0.00 177.39 176.55 1i1y n ARG 131 N -3.36 3.73 -4.46 3.23 1.74 -1.26 -4.56 116.66 111.72 1i1y n ARG 131 Ca -0.17 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.68 1i1y n ARG 131 Cb 0.64 -0.64 -0.10 0.00 -1.02 0.00 0.00 32.46 31.35 1i1y n ARG 131 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1i1y s SER 132 N -0.74 3.09 0.12 0.55 1.04 -1.26 -4.94 113.70 111.56 1i1y s SER 132 Ca 0.00 -1.18 0.10 0.00 0.48 0.00 0.00 55.95 55.35 1i1y s SER 132 Cb 0.00 -0.23 -0.04 0.00 0.10 0.00 0.00 66.02 65.85 1i1y s SER 132 CO 0.00 -0.28 -0.24 0.26 0.98 0.00 0.00 173.24 173.96 1i1y s TRP 133 N -2.87 2.07 -0.15 5.02 0.52 -1.26 -0.74 118.94 121.54 1i1y s TRP 133 Ca 0.30 -0.40 -0.04 0.00 0.02 0.00 0.00 56.10 55.99 1i1y s TRP 133 Cb 0.03 -1.12 -0.03 0.00 -1.15 0.00 0.00 33.47 31.20 1i1y s TRP 133 CO 0.13 0.29 -0.03 0.99 0.02 0.00 0.00 176.95 178.36 1i1y s THR 134 N -1.18 3.99 -0.03 2.01 2.01 -0.81 -4.92 115.64 116.73 1i1y s THR 134 Ca 0.11 -0.33 -0.01 0.00 0.31 0.00 0.00 61.69 61.78 1i1y s THR 134 Cb -0.10 -2.74 0.03 0.00 0.01 0.00 0.00 72.50 69.70 1i1y s THR 134 CO 0.05 0.50 0.05 0.00 -0.69 0.00 0.00 174.62 174.54 1i1y s ALA 135 N 0.22 0.02 -0.18 7.40 0.00 -1.26 -2.60 121.76 125.36 1i1y s ALA 135 Ca -0.02 0.35 0.17 0.00 0.00 0.00 0.00 51.96 52.46 1i1y s ALA 135 Cb -0.14 -0.27 -0.24 0.00 0.00 0.00 0.00 23.12 22.47 1i1y s ALA 135 CO 0.03 -0.11 0.16 0.00 0.00 0.00 0.00 175.76 175.84 1i1y n ALA 136 N 4.10 1.49 -2.65 0.00 0.00 -1.26 -4.82 120.51 117.37 1i1y n ALA 136 Ca -0.27 -1.23 -0.29 0.00 0.00 0.00 0.00 53.44 51.65 1i1y n ALA 136 Cb 0.51 -0.29 -0.10 0.00 0.00 0.00 0.00 19.45 19.57 1i1y n ALA 136 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1i1y s ASP 137 N -5.63 3.90 0.31 0.00 1.47 -1.26 -5.01 116.67 110.45 1i1y s ASP 137 Ca -0.10 -1.45 0.03 0.00 1.18 0.00 0.00 52.55 52.21 1i1y s ASP 137 Cb 0.06 -0.14 0.51 0.00 -0.34 0.00 0.00 42.92 43.01 1i1y s ASP 137 CO 0.82 -0.56 1.82 -0.03 0.68 0.00 0.00 175.17 177.90 1i1y h MET 138 N 1.67 0.57 -0.40 2.11 4.05 -1.98 0.49 114.93 121.43 1i1y h MET 138 Ca -0.44 -0.14 -0.01 0.00 -0.28 0.00 0.00 59.70 58.82 1i1y h MET 138 Cb 1.26 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.97 1i1y h MET 138 CO 0.79 0.63 0.19 0.00 0.23 0.00 0.00 176.91 178.75 1i1y h ALA 139 N 1.42 0.51 -0.47 0.39 0.00 -1.95 -1.16 119.26 118.00 1i1y h ALA 139 Ca 0.11 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1i1y h ALA 139 Cb 0.42 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1i1y h ALA 139 CO 0.02 0.08 -0.05 0.00 0.00 0.00 0.00 179.25 179.29 1i1y h ALA 140 N 1.04 1.03 -0.61 0.00 0.00 -1.76 -2.06 119.26 116.90 1i1y h ALA 140 Ca 0.14 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1i1y h ALA 140 Cb 0.12 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1i1y h ALA 140 CO -0.02 0.59 0.20 1.96 0.00 0.00 0.00 179.25 181.99 1i1y h GLN 141 N 0.74 0.92 -0.66 0.00 4.20 -0.53 0.94 115.11 120.72 1i1y h GLN 141 Ca 0.13 -0.17 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 1i1y h GLN 141 Cb 0.52 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 1i1y h GLN 141 CO 0.03 0.78 0.35 1.15 -0.67 0.00 0.00 178.83 180.47 1i1y h THR 142 N 0.90 1.21 -0.78 -0.54 2.02 -0.59 -1.01 112.91 114.12 1i1y h THR 142 Ca 0.20 -0.56 -0.03 0.00 0.77 0.00 0.00 66.41 66.79 1i1y h THR 142 Cb 0.24 0.37 -0.04 0.00 -1.74 0.00 0.00 68.15 66.98 1i1y h THR 142 CO -0.01 0.24 0.35 0.74 0.37 0.00 0.00 175.52 177.21 1i1y h THR 143 N 0.91 1.25 -0.49 3.16 2.02 -0.90 -2.75 112.91 116.10 1i1y h THR 143 Ca 0.23 -0.73 -0.01 0.00 0.77 0.00 0.00 66.41 66.67 1i1y h THR 143 Cb 0.07 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 66.73 1i1y h THR 143 CO -0.03 0.31 0.27 0.50 0.37 0.00 0.00 175.52 176.93 1i1y h LYS 144 N 1.11 0.68 -0.78 6.66 3.64 -0.08 -1.94 116.57 125.86 1i1y h LYS 144 Ca 0.27 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.54 1i1y h LYS 144 Cb 0.15 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 1i1y h LYS 144 CO -0.03 0.52 0.38 0.45 -2.27 0.00 0.00 179.45 178.50 1i1y h HIS 145 N 0.65 1.13 0.06 1.91 3.86 -1.08 0.14 115.15 121.82 1i1y h HIS 145 Ca 0.17 -0.06 0.01 0.00 -1.16 0.00 0.00 60.37 59.33 1i1y h HIS 145 Cb 0.04 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.15 1i1y h HIS 145 CO -0.02 0.83 -0.08 -0.22 0.86 0.00 0.00 177.93 179.30 1i1y h LYS 146 N 1.11 -0.16 -0.09 2.45 3.64 -1.29 -0.22 116.57 122.01 1i1y h LYS 146 Ca 0.27 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.59 1i1y h LYS 146 Cb 0.12 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1i1y h LYS 146 CO -0.03 -0.11 -0.26 -1.49 -2.27 0.00 0.00 179.45 175.29 1i1y h TRP 147 N -0.17 0.16 -0.00 1.91 4.06 -1.21 -2.01 115.95 118.70 1i1y h TRP 147 Ca 0.01 -0.03 -0.00 0.00 2.06 0.00 0.00 58.89 60.93 1i1y h TRP 147 Cb 0.17 -0.04 -0.00 0.00 -1.00 0.00 0.00 29.16 28.29 1i1y h TRP 147 CO -0.11 0.40 -0.00 0.93 -3.56 0.00 0.00 178.44 176.09 1i1y h GLU 148 N 0.14 0.01 -0.22 0.49 5.08 -0.19 -0.16 114.58 119.72 1i1y h GLU 148 Ca 0.02 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1i1y h GLU 148 Cb 0.53 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1i1y h GLU 148 CO 0.04 0.43 0.08 0.00 -1.00 0.00 0.00 179.01 178.56 1i1y h ALA 149 N 0.57 1.73 -0.19 3.43 0.00 -0.80 -1.79 119.26 122.21 1i1y h ALA 149 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1i1y h ALA 149 Cb 0.43 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1i1y h ALA 149 CO 0.00 0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.47 1i1y n ALA 150 N -2.50 2.51 -3.66 0.00 0.00 -0.78 -4.94 120.51 111.15 1i1y n ALA 150 Ca 0.00 -0.55 -0.22 0.00 0.00 0.00 0.00 53.44 52.67 1i1y n ALA 150 Cb 0.13 -1.07 0.05 0.00 0.00 0.00 0.00 19.45 18.56 1i1y n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1i1y n HIS 151 N 0.39 -2.17 -0.07 0.00 -0.00 -0.67 -4.90 115.22 107.80 1i1y n HIS 151 Ca 0.16 0.90 -0.12 0.00 -0.00 0.00 0.00 57.72 58.66 1i1y n HIS 151 Cb 0.34 -4.59 -0.06 0.00 -0.00 0.00 0.00 29.99 25.69 1i1y n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 1i1y h VAL 152 N -2.02 1.29 -0.76 1.59 2.07 -1.28 -3.11 116.25 114.03 1i1y h VAL 152 Ca -0.60 -1.06 0.09 0.00 0.82 0.00 0.00 66.70 65.96 1i1y h VAL 152 Cb 1.36 1.60 -0.07 0.00 -1.52 0.00 0.00 31.29 32.66 1i1y h VAL 152 CO 0.57 0.32 0.41 0.00 0.02 0.00 0.00 177.57 178.88 1i1y h ALA 153 N 0.72 1.07 -0.63 1.67 0.00 -1.91 -0.06 119.26 120.12 1i1y h ALA 153 Ca 0.05 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1i1y h ALA 153 Cb 0.51 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1i1y h ALA 153 CO 0.02 0.02 0.23 0.93 0.00 0.00 0.00 179.25 180.45 1i1y h GLU 154 N 0.69 0.94 -0.41 0.00 3.07 -1.79 -1.02 114.58 116.05 1i1y h GLU 154 Ca 0.37 -0.16 -0.11 0.00 -0.50 0.00 0.00 59.36 58.96 1i1y h GLU 154 Cb 0.37 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.11 1i1y h GLU 154 CO -0.26 0.78 -0.18 0.37 -1.40 0.00 0.00 179.01 178.32 1i1y h GLN 155 N 0.92 0.85 -0.65 2.33 4.15 -0.99 -2.81 115.11 118.92 1i1y h GLN 155 Ca 0.21 -0.36 -0.02 0.00 0.77 0.00 0.00 58.65 59.25 1i1y h GLN 155 Cb 0.21 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.84 1i1y h GLN 155 CO -0.02 1.00 0.33 -0.07 -1.93 0.00 0.00 178.83 178.15 1i1y h LEU 156 N 0.67 0.81 -0.43 -2.39 4.07 -0.97 -2.37 115.31 114.71 1i1y h LEU 156 Ca 0.09 -0.07 -0.07 0.00 0.08 0.00 0.00 57.88 57.91 1i1y h LEU 156 Cb 0.74 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 42.25 1i1y h LEU 156 CO 0.06 0.68 0.00 -0.09 -1.08 0.00 0.00 178.44 178.01 1i1y h ARG 157 N 0.91 0.75 -0.64 1.13 2.43 -0.99 0.12 114.38 118.08 1i1y h ARG 157 Ca 0.23 -0.24 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 1i1y h ARG 157 Cb 0.07 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 1i1y h ARG 157 CO -0.03 0.82 0.27 0.00 -1.51 0.00 0.00 179.97 179.52 1i1y h ALA 158 N 0.90 1.26 0.19 2.80 0.00 -1.27 -1.76 119.26 121.39 1i1y h ALA 158 Ca 0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1i1y h ALA 158 Cb 0.48 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1i1y h ALA 158 CO 0.02 0.55 -0.09 -0.92 0.00 0.00 0.00 179.25 178.81 1i1y h TYR 159 N 0.92 -0.23 -0.27 0.00 3.20 -1.01 -0.84 116.97 118.74 1i1y h TYR 159 Ca 0.22 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.00 1i1y h TYR 159 Cb 0.16 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 1i1y h TYR 159 CO 0.01 0.18 -0.18 -0.07 -1.64 0.00 0.00 178.16 176.46 1i1y h LEU 160 N -0.81 0.46 0.00 2.82 3.38 -0.79 0.12 115.31 120.49 1i1y h LEU 160 Ca -0.03 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 1i1y h LEU 160 Cb 0.52 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1i1y h LEU 160 CO 0.04 0.66 -0.92 -0.33 0.09 0.00 0.00 178.44 177.99 1i1y h GLU 161 N 0.43 0.00 0.00 1.13 5.08 -1.41 -3.38 114.58 116.44 1i1y h GLU 161 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1i1y h GLU 161 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1i1y h GLU 161 CO 0.04 0.09 0.00 0.41 -1.00 0.00 0.00 179.01 178.55 1i1y n GLY 162 N 1.22 0.24 0.34 -3.84 0.00 -0.32 -4.68 105.19 98.14 1i1y n GLY 162 Ca -0.01 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.03 1i1y n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1i1y h THR 163 N 0.00 0.10 -0.12 2.61 2.02 -1.60 -0.30 112.91 115.62 1i1y h THR 163 Ca 0.00 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.22 1i1y h THR 163 Cb 0.00 0.10 -0.05 0.00 -1.74 0.00 0.00 68.15 66.45 1i1y h THR 163 CO 0.00 0.00 -0.22 0.00 0.37 0.00 0.00 175.52 175.67 1i1y h VAL 165 N -0.29 1.27 -0.37 0.00 2.07 -1.55 -1.54 116.25 115.84 1i1y h VAL 165 Ca 0.10 -1.27 0.06 0.00 0.82 0.00 0.00 66.70 66.40 1i1y h VAL 165 Cb 0.43 0.97 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 1i1y h VAL 165 CO -0.28 0.45 0.06 -0.33 0.02 0.00 0.00 177.57 177.49 1i1y h GLU 166 N 0.91 0.17 -0.00 1.57 5.08 -0.78 -1.36 114.58 120.17 1i1y h GLU 166 Ca 0.14 -0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 58.33 1i1y h GLU 166 Cb 0.69 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 1i1y h GLU 166 CO 0.05 0.11 -0.73 -1.49 -1.00 0.00 0.00 179.01 175.95 1i1y h TRP 167 N 0.18 0.06 -0.36 4.33 4.06 -1.27 -1.77 115.95 121.17 1i1y h TRP 167 Ca 0.18 -0.03 0.01 0.00 2.06 0.00 0.00 58.89 61.11 1i1y h TRP 167 Cb 0.22 -0.01 -0.02 0.00 -1.00 0.00 0.00 29.16 28.35 1i1y h TRP 167 CO -0.21 0.76 0.22 1.25 -3.56 0.00 0.00 178.44 176.90 1i1y h LEU 168 N 0.03 0.37 -0.36 -4.49 5.85 -0.97 0.18 115.31 115.92 1i1y h LEU 168 Ca -0.01 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1i1y h LEU 168 Cb 1.29 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.22 1i1y h LEU 168 CO 0.10 0.27 0.22 0.03 -0.34 0.00 0.00 178.44 178.72 1i1y h ARG 169 N 0.45 0.49 -0.60 1.25 3.08 -1.11 0.59 114.38 118.53 1i1y h ARG 169 Ca 0.14 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 1i1y h ARG 169 Cb -0.02 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 1i1y h ARG 169 CO -0.05 0.37 0.28 -0.09 -1.07 0.00 0.00 179.97 179.41 1i1y h ARG 170 N 0.47 0.86 -0.48 0.04 2.43 -0.84 -1.68 114.38 115.19 1i1y h ARG 170 Ca 0.13 -0.13 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1i1y h ARG 170 Cb 0.00 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 1i1y h ARG 170 CO -0.02 0.71 0.19 1.88 -1.51 0.00 0.00 179.97 181.21 1i1y h TYR 171 N 0.82 0.72 -0.51 2.20 0.05 -0.27 0.10 116.97 120.09 1i1y h TYR 171 Ca 0.20 -0.05 0.01 0.00 0.05 0.00 0.00 58.73 58.94 1i1y h TYR 171 Cb 0.13 -0.22 -0.03 0.00 1.01 0.00 0.00 36.73 37.63 1i1y h TYR 171 CO 0.00 0.61 0.32 -0.07 -1.05 0.00 0.00 178.16 177.97 1i1y h LEU 172 N 0.63 0.54 0.34 3.88 3.38 -0.66 0.19 115.31 123.60 1i1y h LEU 172 Ca 0.16 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 1i1y h LEU 172 Cb 0.19 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1i1y h LEU 172 CO -0.01 0.39 -0.16 -0.33 0.09 0.00 0.00 178.44 178.41 1i1y h GLU 173 N 0.65 -0.43 -0.63 1.13 5.08 -1.09 -1.70 114.58 117.58 1i1y h GLU 173 Ca 0.20 0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.54 1i1y h GLU 173 Cb -0.03 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 1i1y h GLU 173 CO -0.07 -0.20 0.22 -0.91 -1.00 0.00 0.00 179.01 177.05 1i1y h ASN 174 N -0.60 0.90 -0.92 1.42 -0.26 -0.64 -2.44 115.58 113.03 1i1y h ASN 174 Ca -0.05 -0.19 -0.47 0.00 -0.56 0.00 0.00 56.30 55.03 1i1y h ASN 174 Cb 0.44 -0.23 -0.28 0.00 -1.06 0.00 0.00 38.32 37.19 1i1y h ASN 174 CO 0.08 0.85 0.60 0.61 -1.06 0.00 0.00 177.43 178.50 1i1y n GLY 175 N -0.76 4.29 0.28 2.83 0.00 0.04 -4.81 105.19 107.06 1i1y n GLY 175 Ca 0.04 -1.01 -0.07 0.00 0.00 0.00 0.00 46.02 44.98 1i1y n GLY 175 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1i1y n LYS 176 N -0.99 -0.29 -0.32 1.61 0.00 -0.64 -0.68 118.16 116.85 1i1y n LYS 176 Ca 0.55 1.02 0.02 0.00 0.00 0.00 0.00 58.31 59.90 1i1y n LYS 176 Cb 1.59 -1.50 0.20 0.00 0.00 0.00 0.00 35.03 35.32 1i1y n LYS 176 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 1i1y h GLU 177 N 0.00 1.10 0.02 1.64 9.09 -1.87 0.15 114.58 124.72 1i1y h GLU 177 Ca 0.12 -0.07 -0.00 0.00 0.05 0.00 0.00 59.36 59.46 1i1y h GLU 177 Cb 0.28 -0.25 0.00 0.00 -1.65 0.00 0.00 28.75 27.14 1i1y h GLU 177 CO -0.64 0.73 -0.01 1.15 0.05 0.00 0.00 179.01 180.29 1i1y h THR 178 N 1.13 0.27 0.05 -1.06 2.02 -1.57 -3.37 112.91 110.39 1i1y h THR 178 Ca 0.38 -1.17 -0.24 0.00 0.77 0.00 0.00 66.41 66.15 1i1y h THR 178 Cb 0.07 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 1i1y h THR 178 CO -0.12 0.09 -1.11 -0.07 0.37 0.00 0.00 175.52 174.68 1i1y h LEU 179 N -1.00 0.17 -2.32 2.58 3.38 -0.86 -3.23 115.31 114.01 1i1y h LEU 179 Ca -0.00 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1i1y h LEU 179 Cb 0.17 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1i1y h LEU 179 CO 0.01 1.14 0.00 0.00 0.09 0.00 0.00 178.44 179.68 1i1y n GLN 180 N -3.42 2.97 -3.45 1.13 6.02 0.53 -4.92 117.38 116.23 1i1y n GLN 180 Ca -0.04 -1.98 -0.24 0.00 -0.01 0.00 0.00 57.00 54.74 1i1y n GLN 180 Cb 0.97 -1.74 -0.01 0.00 1.02 0.00 0.00 30.24 30.49 1i1y n GLN 180 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 1i1y s ARG 181 N -1.80 3.49 -0.06 -1.09 1.70 -1.22 -4.98 118.95 114.99 1i1y s ARG 181 Ca 0.35 -0.36 0.02 0.00 -0.47 0.00 0.00 55.73 55.28 1i1y s ARG 181 Cb 0.23 -2.69 0.01 0.00 -0.57 0.00 0.00 34.95 31.93 1i1y s ARG 181 CO 0.16 0.19 -0.12 0.95 -1.08 0.00 0.00 175.30 175.40 1i1y s THR 182 N -2.25 1.14 -0.39 4.99 -4.23 -1.26 -4.66 115.64 108.98 1i1y s THR 182 Ca 0.39 -0.49 -0.09 0.00 -1.18 0.00 0.00 61.69 60.32 1i1y s THR 182 Cb -0.10 -1.04 0.06 0.00 1.34 0.00 0.00 72.50 72.77 1i1y s THR 182 CO 0.35 0.35 0.21 -1.81 -0.54 0.00 0.00 174.62 173.18 1i1y s ASP 183 N 0.58 5.57 0.46 3.99 1.01 0.11 -4.91 116.67 123.48 1i1y s ASP 183 Ca -0.13 -1.32 -0.25 0.00 0.71 0.00 0.00 52.55 51.56 1i1y s ASP 183 Cb -0.15 -1.96 -0.08 0.00 1.01 0.00 0.00 42.92 41.73 1i1y s ASP 183 CO 0.03 -0.46 1.41 0.00 0.21 0.00 0.00 175.17 176.37 1i1y n ALA 184 N 4.90 1.93 -1.78 5.23 0.00 -1.26 -1.57 120.51 127.96 1i1y n ALA 184 Ca -0.11 0.24 -0.41 0.00 0.00 0.00 0.00 53.44 53.16 1i1y n ALA 184 Cb 0.44 -2.38 -0.01 0.00 0.00 0.00 0.00 19.45 17.50 1i1y n ALA 184 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1i1y s PRO 185 N -2.45 4.21 -0.22 0.00 0.04 -1.26 -4.59 135.00 130.73 1i1y s PRO 185 Ca 0.62 2.42 -0.22 0.00 0.04 0.00 0.00 61.00 63.86 1i1y s PRO 185 Cb -0.45 -3.02 -0.02 0.00 0.04 0.00 0.00 34.50 31.05 1i1y s PRO 185 CO 0.57 -0.39 0.70 0.15 0.04 0.00 0.00 177.00 178.06 1i1y s LYS 186 N -1.86 4.19 0.15 4.56 1.02 0.90 -4.82 119.74 123.88 1i1y s LYS 186 Ca 0.52 0.72 0.08 0.00 0.02 0.00 0.00 55.97 57.31 1i1y s LYS 186 Cb -0.44 -3.61 -0.04 0.00 -0.52 0.00 0.00 37.83 33.22 1i1y s LYS 186 CO 0.58 -0.35 -0.07 0.95 -0.92 0.00 0.00 175.35 175.53 1i1y s THR 187 N 2.29 3.42 0.15 2.17 -4.23 -1.26 -0.98 115.64 117.21 1i1y s THR 187 Ca 0.31 -1.42 -0.24 0.00 -1.18 0.00 0.00 61.69 59.15 1i1y s THR 187 Cb -0.16 -2.66 0.06 0.00 1.34 0.00 0.00 72.50 71.08 1i1y s THR 187 CO 0.10 -0.02 0.75 -1.38 -0.54 0.00 0.00 174.62 173.53 1i1y s HIS 188 N -1.50 -0.34 0.07 3.99 -3.43 -1.05 -5.00 115.29 108.02 1i1y s HIS 188 Ca 0.24 0.07 0.07 0.00 -0.80 0.00 0.00 55.06 54.64 1i1y s HIS 188 Cb -0.10 0.61 -0.03 0.00 -1.43 0.00 0.00 32.58 31.63 1i1y s HIS 188 CO 0.16 -0.88 -0.18 -1.64 -2.00 0.00 0.00 174.74 170.19 1i1y s MET 189 N -3.58 1.11 0.18 -0.38 -1.94 -1.26 -0.02 119.30 113.40 1i1y s MET 189 Ca 0.06 -0.98 0.10 0.00 -1.71 0.00 0.00 55.69 53.16 1i1y s MET 189 Cb -0.02 -1.24 -0.04 0.00 2.01 0.00 0.00 34.83 35.54 1i1y s MET 189 CO -0.05 0.30 -0.20 0.95 -0.01 0.00 0.00 175.02 176.01 1i1y s THR 190 N -1.01 2.03 -0.10 2.05 -4.23 -0.44 -4.98 115.64 108.96 1i1y s THR 190 Ca 0.04 -1.98 -0.00 0.00 -1.18 0.00 0.00 61.69 58.57 1i1y s THR 190 Cb -0.09 -1.96 0.02 0.00 1.34 0.00 0.00 72.50 71.81 1i1y s THR 190 CO 0.03 -0.25 -0.07 -2.28 -0.54 0.00 0.00 174.62 171.50 1i1y s HIS 191 N -1.95 1.38 -0.15 3.99 2.46 -1.26 -1.66 115.29 118.09 1i1y s HIS 191 Ca 0.18 -0.65 -0.01 0.00 0.47 0.00 0.00 55.06 55.05 1i1y s HIS 191 Cb -0.06 -1.17 0.04 0.00 -0.13 0.00 0.00 32.58 31.26 1i1y s HIS 191 CO 0.08 -0.47 -0.05 -1.01 -2.47 0.00 0.00 174.74 170.82 1i1y s HIS 192 N 1.67 1.55 0.02 3.88 3.76 -0.67 -5.00 115.29 120.51 1i1y s HIS 192 Ca 0.04 -0.94 -0.30 0.00 -0.15 0.00 0.00 55.06 53.70 1i1y s HIS 192 Cb -0.13 -1.25 -0.08 0.00 1.11 0.00 0.00 32.58 32.24 1i1y s HIS 192 CO -0.07 -0.58 1.79 0.00 -0.85 0.00 0.00 174.74 175.03 1i1y s ALA 193 N 1.68 3.63 -0.16 -1.40 0.00 -1.26 -1.97 121.76 122.28 1i1y s ALA 193 Ca 0.02 1.19 -0.08 0.00 0.00 0.00 0.00 51.96 53.09 1i1y s ALA 193 Cb -0.15 -3.78 -0.23 0.00 0.00 0.00 0.00 23.12 18.97 1i1y s ALA 193 CO -0.08 -1.40 0.21 1.33 0.00 0.00 0.00 175.76 175.83 1i1y n VAL 194 N 5.30 1.69 -3.44 0.00 0.24 -1.18 -4.95 118.33 116.00 1i1y n VAL 194 Ca 0.18 -0.54 0.00 0.00 -2.04 0.00 0.00 64.34 61.94 1i1y n VAL 194 Cb 0.41 -1.73 0.00 0.00 -1.47 0.00 0.00 33.84 31.05 1i1y n VAL 194 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1i1y n SER 195 N -3.62 0.00 -0.08 -1.34 3.41 -1.18 -5.06 113.62 105.75 1i1y n SER 195 Ca -0.35 -0.44 0.12 0.00 -0.26 0.00 0.00 58.87 57.94 1i1y n SER 195 Cb 0.98 0.00 0.21 0.00 -0.26 0.00 0.00 64.21 65.14 1i1y n SER 195 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1i1y n ASP 196 N -1.31 0.78 -0.11 4.04 9.92 -1.26 -4.21 116.55 124.41 1i1y n ASP 196 Ca 0.00 -0.58 0.05 0.00 -0.53 0.00 0.00 54.79 53.72 1i1y n ASP 196 Cb 0.00 0.36 0.07 0.00 -0.64 0.00 0.00 41.12 40.90 1i1y n ASP 196 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1i1y n HIS 197 N -1.23 0.00 -3.49 1.24 1.44 -1.26 -4.94 115.22 106.99 1i1y n HIS 197 Ca 0.07 -0.62 -0.09 0.00 -2.01 0.00 0.00 57.72 55.07 1i1y n HIS 197 Cb 0.34 -0.09 -0.02 0.00 0.12 0.00 0.00 29.99 30.34 1i1y n HIS 197 CO 0.00 0.00 0.00 -1.83 -2.81 0.00 0.00 176.34 171.70 1i1y s GLU 198 N -1.65 0.91 0.04 -1.40 -1.05 -1.26 -2.37 118.70 111.92 1i1y s GLU 198 Ca 0.15 -0.33 -0.14 0.00 -0.15 0.00 0.00 54.97 54.50 1i1y s GLU 198 Cb 0.13 0.42 0.02 0.00 -0.44 0.00 0.00 34.13 34.26 1i1y s GLU 198 CO 0.01 -0.40 0.30 0.00 0.95 0.00 0.00 175.26 176.13 1i1y s ALA 199 N -3.24 -0.69 -0.18 -0.84 0.00 0.19 -3.10 121.76 113.90 1i1y s ALA 199 Ca 0.04 0.02 -0.19 0.00 0.00 0.00 0.00 51.96 51.83 1i1y s ALA 199 Cb -0.01 0.32 -0.03 0.00 0.00 0.00 0.00 23.12 23.39 1i1y s ALA 199 CO -0.10 -0.41 0.54 0.99 0.00 0.00 0.00 175.76 176.78 1i1y s THR 200 N -2.52 5.10 -0.23 0.00 2.01 -0.83 0.23 115.64 119.39 1i1y s THR 200 Ca -0.05 1.01 -0.07 0.00 0.31 0.00 0.00 61.69 62.89 1i1y s THR 200 Cb -0.01 -3.86 -0.03 0.00 0.01 0.00 0.00 72.50 68.61 1i1y s THR 200 CO -0.03 0.19 0.05 -0.76 -0.69 0.00 0.00 174.62 173.38 1i1y s LEU 201 N 1.52 3.41 -0.14 4.42 1.02 -0.43 -1.67 118.68 126.82 1i1y s LEU 201 Ca 0.26 -0.19 -0.03 0.00 0.02 0.00 0.00 54.13 54.19 1i1y s LEU 201 Cb -0.16 -1.90 -0.02 0.00 0.02 0.00 0.00 46.19 44.13 1i1y s LEU 201 CO 0.10 0.00 -0.06 -0.60 0.02 0.00 0.00 176.35 175.81 1i1y s ARG 202 N 1.40 3.55 -0.25 1.70 3.52 -0.67 -1.89 118.95 126.31 1i1y s ARG 202 Ca 0.05 -0.56 -0.08 0.00 -0.13 0.00 0.00 55.73 55.01 1i1y s ARG 202 Cb -0.15 -2.83 -0.03 0.00 -1.56 0.00 0.00 34.95 30.39 1i1y s ARG 202 CO 0.03 0.26 0.08 0.00 -0.81 0.00 0.00 175.30 174.86 1i1y s TRP 204 N 1.58 3.11 -0.10 0.00 0.52 0.96 -1.89 118.94 123.11 1i1y s TRP 204 Ca 0.06 0.10 -0.01 0.00 0.02 0.00 0.00 56.10 56.28 1i1y s TRP 204 Cb -0.15 -1.68 0.03 0.00 -1.15 0.00 0.00 33.47 30.51 1i1y s TRP 204 CO 0.04 0.48 -0.04 0.00 0.02 0.00 0.00 176.95 177.45 1i1y s ALA 205 N -1.10 1.09 0.14 0.98 0.00 -0.77 -2.54 121.76 119.56 1i1y s ALA 205 Ca 0.20 -0.41 0.05 0.00 0.00 0.00 0.00 51.96 51.80 1i1y s ALA 205 Cb -0.12 -0.87 -0.04 0.00 0.00 0.00 0.00 23.12 22.09 1i1y s ALA 205 CO 0.11 -0.48 -0.12 -0.51 0.00 0.00 0.00 175.76 174.76 1i1y s LEU 206 N 1.81 2.47 -1.43 0.00 1.43 -0.15 -1.43 118.68 121.37 1i1y s LEU 206 Ca 0.05 -0.91 -0.10 0.00 -1.03 0.00 0.00 54.13 52.13 1i1y s LEU 206 Cb -0.13 -0.46 0.04 0.00 0.03 0.00 0.00 46.19 45.67 1i1y s LEU 206 CO -0.07 -0.23 1.07 -0.24 0.23 0.00 0.00 176.35 177.12 1i1y n SER 207 N 0.15 -5.83 -4.87 2.29 2.88 -0.96 -0.07 113.62 107.23 1i1y n SER 207 Ca -0.13 -0.60 -0.22 0.00 -1.33 0.00 0.00 58.87 56.59 1i1y n SER 207 Cb 0.59 -4.61 -0.04 0.00 -0.75 0.00 0.00 64.21 59.40 1i1y n SER 207 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1i1y s PHE 208 N -3.30 3.22 -0.24 0.66 -0.12 -0.97 -4.65 117.98 112.58 1i1y s PHE 208 Ca 0.60 -0.07 -0.14 0.00 -0.05 0.00 0.00 56.93 57.26 1i1y s PHE 208 Cb -0.28 -1.47 0.07 0.00 -0.63 0.00 0.00 43.02 40.72 1i1y s PHE 208 CO 0.74 0.50 0.60 -0.47 -0.05 0.00 0.00 175.22 176.54 1i1y s TYR 209 N -2.05 -0.91 1.01 3.49 5.04 -0.61 -1.23 117.35 122.09 1i1y s TYR 209 Ca 0.33 1.85 -0.17 0.00 -2.44 0.00 0.00 57.07 56.64 1i1y s TYR 209 Cb -0.08 0.50 0.23 0.00 0.35 0.00 0.00 41.96 42.96 1i1y s TYR 209 CO 0.26 -0.46 1.33 -1.25 -1.34 0.00 0.00 175.55 174.09 1i1y s PRO 210 N 1.49 0.21 0.35 4.97 0.04 -1.26 0.10 135.00 140.90 1i1y s PRO 210 Ca -0.09 -0.49 0.04 0.00 0.04 0.00 0.00 61.00 60.50 1i1y s PRO 210 Cb -0.06 -1.80 0.68 0.00 0.04 0.00 0.00 34.50 33.36 1i1y s PRO 210 CO -0.17 -2.69 1.98 0.00 0.04 0.00 0.00 177.00 176.16 1i1y h ALA 211 N -1.84 1.62 -2.66 8.56 0.00 -1.96 -3.46 119.26 119.52 1i1y h ALA 211 Ca -0.44 -0.03 -0.55 0.00 0.00 0.00 0.00 54.91 53.89 1i1y h ALA 211 Cb 1.22 -0.23 0.09 0.00 0.00 0.00 0.00 17.79 18.87 1i1y h ALA 211 CO 0.32 0.30 0.76 -1.91 0.00 0.00 0.00 179.25 178.72 1i1y n GLU 212 N -4.46 2.47 -3.52 0.00 2.13 -1.26 -5.00 120.64 111.01 1i1y n GLU 212 Ca 0.09 0.88 -0.10 0.00 0.66 0.00 0.00 57.16 58.68 1i1y n GLU 212 Cb 0.14 -2.60 -0.03 0.00 0.27 0.00 0.00 31.44 29.21 1i1y n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.41 0.00 0.00 177.13 175.22 1i1y s ILE 213 N -0.27 0.00 -0.10 6.31 2.07 -1.26 -4.71 121.20 123.23 1i1y s ILE 213 Ca 0.63 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.89 1i1y s ILE 213 Cb -0.54 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.06 1i1y s ILE 213 CO 0.52 0.00 -0.15 -0.89 -1.91 0.00 0.00 174.94 172.51 1i1y s THR 214 N -2.33 1.47 -0.15 4.00 2.01 -0.34 -4.98 115.64 115.32 1i1y s THR 214 Ca 0.01 -0.64 -0.02 0.00 0.31 0.00 0.00 61.69 61.35 1i1y s THR 214 Cb -0.01 -1.34 0.05 0.00 0.01 0.00 0.00 72.50 71.21 1i1y s THR 214 CO -0.04 0.43 0.00 -0.22 -0.69 0.00 0.00 174.62 174.11 1i1y s LEU 215 N 0.90 1.13 0.06 4.42 2.96 -1.26 -0.46 118.68 126.42 1i1y s LEU 215 Ca -0.09 -0.57 -0.00 0.00 -0.22 0.00 0.00 54.13 53.25 1i1y s LEU 215 Cb -0.15 -0.64 -0.04 0.00 0.50 0.00 0.00 46.19 45.86 1i1y s LEU 215 CO -0.00 -0.24 -0.04 -0.89 -1.32 0.00 0.00 176.35 173.86 1i1y s THR 216 N 1.83 0.30 0.08 3.68 2.01 0.18 -4.91 115.64 118.81 1i1y s THR 216 Ca 0.01 -1.73 0.07 0.00 0.31 0.00 0.00 61.69 60.36 1i1y s THR 216 Cb -0.15 -1.41 -0.04 0.00 0.01 0.00 0.00 72.50 70.92 1i1y s THR 216 CO -0.07 -0.91 -0.15 0.26 -0.69 0.00 0.00 174.62 173.06 1i1y s TRP 217 N -3.57 2.63 0.07 4.92 0.52 -1.26 0.60 118.94 122.86 1i1y s TRP 217 Ca 0.05 -0.21 0.03 0.00 0.02 0.00 0.00 56.10 56.00 1i1y s TRP 217 Cb 0.05 -1.44 -0.03 0.00 -1.15 0.00 0.00 33.47 30.91 1i1y s TRP 217 CO -0.08 0.35 -0.10 -0.65 0.02 0.00 0.00 176.95 176.49 1i1y s GLN 218 N -1.85 0.74 -0.19 4.98 -0.21 -0.48 -3.12 119.66 119.52 1i1y s GLN 218 Ca 0.18 -1.01 0.01 0.00 0.02 0.00 0.00 55.36 54.56 1i1y s GLN 218 Cb -0.11 -0.48 0.03 0.00 1.00 0.00 0.00 33.01 33.46 1i1y s GLN 218 CO 0.09 0.08 -0.15 0.50 -2.12 0.00 0.00 175.29 173.69 1i1y s ARG 219 N -2.31 2.50 -1.78 2.91 3.52 -0.41 -1.14 118.95 122.25 1i1y s ARG 219 Ca -0.00 -0.87 -0.00 0.00 -0.13 0.00 0.00 55.73 54.72 1i1y s ARG 219 Cb -0.06 -2.50 0.00 0.00 -1.56 0.00 0.00 34.95 30.83 1i1y s ARG 219 CO 0.00 -0.33 0.02 -0.25 -0.81 0.00 0.00 175.30 173.94 1i1y n ASP 220 N 4.63 -5.94 0.00 -2.12 8.00 0.01 -1.53 116.55 119.60 1i1y n ASP 220 Ca -0.18 -0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.29 1i1y n ASP 220 Cb 0.48 -4.93 0.00 0.00 -0.02 0.00 0.00 41.12 36.65 1i1y n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i1y n GLY 221 N -1.04 0.42 3.88 0.44 0.00 -1.26 -5.00 105.19 102.63 1i1y n GLY 221 Ca -0.24 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 1i1y n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i1y s GLU 222 N -0.62 3.48 0.41 1.61 0.41 -0.58 -5.01 118.70 118.40 1i1y s GLU 222 Ca 0.00 -0.13 -0.26 0.00 -0.41 0.00 0.00 54.97 54.17 1i1y s GLU 222 Cb 0.00 -3.17 -0.09 0.00 -1.78 0.00 0.00 34.13 29.10 1i1y s GLU 222 CO 0.00 0.75 1.32 -0.51 -0.49 0.00 0.00 175.26 176.32 1i1y s ASP 223 N -1.25 6.25 -0.15 -0.19 1.11 -1.26 -1.28 116.67 119.90 1i1y s ASP 223 Ca 0.19 2.68 0.15 0.00 0.18 0.00 0.00 52.55 55.75 1i1y s ASP 223 Cb -0.12 -2.64 0.33 0.00 1.07 0.00 0.00 42.92 41.56 1i1y s ASP 223 CO 0.08 -0.89 1.17 0.00 1.18 0.00 0.00 175.17 176.71 1i1y n GLN 224 N 0.08 1.23 -0.39 8.23 1.13 -1.18 -4.79 117.38 121.68 1i1y n GLN 224 Ca 0.04 -2.73 -0.06 0.00 -1.94 0.00 0.00 57.00 52.31 1i1y n GLN 224 Cb 0.43 -1.38 -0.03 0.00 0.11 0.00 0.00 30.24 29.38 1i1y n GLN 224 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 1i1y n THR 225 N -1.07 -0.59 0.29 5.09 -1.04 -1.26 -0.37 114.28 115.33 1i1y n THR 225 Ca 0.15 2.32 0.18 0.00 -2.04 0.00 0.00 64.05 64.66 1i1y n THR 225 Cb 0.70 -2.96 0.84 0.00 -1.82 0.00 0.00 70.33 67.08 1i1y n THR 225 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 1i1y h GLN 226 N 0.00 0.00 -0.49 -2.82 1.08 -1.99 -2.89 115.11 107.99 1i1y h GLN 226 Ca 0.25 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.45 1i1y h GLN 226 Cb 0.49 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 1i1y h GLN 226 CO -0.94 0.03 0.00 -0.25 -0.95 0.00 0.00 178.83 176.72 1i1y n ASP 227 N -3.20 3.79 -4.47 1.46 8.00 0.50 -4.97 116.55 117.66 1i1y n ASP 227 Ca -0.01 -2.28 -0.33 0.00 0.71 0.00 0.00 54.79 52.87 1i1y n ASP 227 Cb 0.23 -0.42 -0.13 0.00 -0.02 0.00 0.00 41.12 40.78 1i1y n ASP 227 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1i1y s THR 228 N -1.52 3.56 -0.24 -3.53 2.01 -0.80 -4.60 115.64 110.52 1i1y s THR 228 Ca 0.39 -0.49 -0.16 0.00 0.31 0.00 0.00 61.69 61.74 1i1y s THR 228 Cb 0.24 -2.52 -0.04 0.00 0.01 0.00 0.00 72.50 70.19 1i1y s THR 228 CO 0.20 0.52 0.42 -0.70 -0.69 0.00 0.00 174.62 174.38 1i1y s GLU 229 N 0.17 4.09 -0.15 4.92 2.12 0.36 -4.93 118.70 125.29 1i1y s GLU 229 Ca -0.04 0.18 -0.00 0.00 0.36 0.00 0.00 54.97 55.47 1i1y s GLU 229 Cb -0.14 -3.61 0.03 0.00 0.26 0.00 0.00 34.13 30.67 1i1y s GLU 229 CO 0.04 -0.20 -0.08 -1.17 -0.54 0.00 0.00 175.26 173.30 1i1y s LEU 230 N 1.84 1.53 0.48 2.70 2.96 -1.26 -0.81 118.68 126.12 1i1y s LEU 230 Ca 0.18 -0.52 -0.09 0.00 -0.22 0.00 0.00 54.13 53.48 1i1y s LEU 230 Cb -0.15 -0.96 -0.05 0.00 0.50 0.00 0.00 46.19 45.52 1i1y s LEU 230 CO 0.09 -0.13 0.84 0.68 -1.32 0.00 0.00 176.35 176.50 1i1y s VAL 231 N 1.61 4.80 0.26 1.68 -7.23 -1.04 -5.03 120.40 115.45 1i1y s VAL 231 Ca 0.03 0.54 -0.30 0.00 -1.81 0.00 0.00 61.98 60.44 1i1y s VAL 231 Cb -0.14 -3.81 -0.10 0.00 0.56 0.00 0.00 36.38 32.89 1i1y s VAL 231 CO -0.08 -0.77 1.44 -0.70 -0.31 0.00 0.00 175.10 174.68 1i1y s GLU 232 N -4.45 4.26 0.14 4.82 2.12 -1.26 -4.60 118.70 119.73 1i1y s GLU 232 Ca 0.51 2.32 -0.35 0.00 0.36 0.00 0.00 54.97 57.81 1i1y s GLU 232 Cb -0.10 -3.10 -0.15 0.00 0.26 0.00 0.00 34.13 31.04 1i1y s GLU 232 CO 0.41 -0.42 1.50 2.41 -0.54 0.00 0.00 175.26 178.61 1i1y n THR 233 N 2.20 0.06 -4.23 -1.70 -1.04 -1.26 -4.83 114.28 103.47 1i1y n THR 233 Ca 0.06 -0.01 -0.20 0.00 -2.04 0.00 0.00 64.05 61.86 1i1y n THR 233 Cb 0.40 -1.33 -0.12 0.00 -1.82 0.00 0.00 70.33 67.46 1i1y n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1i1y s ARG 234 N 0.71 0.98 0.08 -2.82 1.04 -0.03 -4.96 118.95 113.95 1i1y s ARG 234 Ca 0.80 -1.09 -0.30 0.00 -1.04 0.00 0.00 55.73 54.09 1i1y s ARG 234 Cb -0.76 -1.05 -0.05 0.00 -2.04 0.00 0.00 34.95 31.05 1i1y s ARG 234 CO 0.41 0.23 1.02 -1.25 -0.04 0.00 0.00 175.30 175.68 1i1y s PRO 235 N -2.00 4.60 0.45 3.89 0.04 -1.26 -0.98 135.00 139.74 1i1y s PRO 235 Ca 0.04 1.53 0.25 0.00 0.04 0.00 0.00 61.00 62.86 1i1y s PRO 235 Cb -0.09 -3.38 0.71 0.00 0.04 0.00 0.00 34.50 31.79 1i1y s PRO 235 CO 0.03 0.05 1.74 0.00 0.04 0.00 0.00 177.00 178.86 1i1y h ALA 236 N 6.00 0.96 0.00 8.56 0.00 -1.36 -3.47 119.26 129.96 1i1y h ALA 236 Ca -0.42 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1i1y h ALA 236 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1i1y h ALA 236 CO 0.74 0.13 0.00 0.41 0.00 0.00 0.00 179.25 180.53 1i1y n GLY 237 N 0.63 1.39 0.68 0.00 0.00 -1.26 -4.92 105.19 101.71 1i1y n GLY 237 Ca 0.02 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.11 1i1y n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1i1y n ASP 238 N 0.00 3.33 0.00 1.61 5.68 -1.26 -4.92 116.55 120.98 1i1y n ASP 238 Ca 0.00 -2.64 0.00 0.00 -0.50 0.00 0.00 54.79 51.65 1i1y n ASP 238 Cb 0.00 -0.40 0.00 0.00 -1.14 0.00 0.00 41.12 39.58 1i1y n ASP 238 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1i1y n GLY 239 N -0.27 0.08 3.88 6.12 0.00 -1.26 -5.06 105.19 108.68 1i1y n GLY 239 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 1i1y n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1i1y s THR 240 N -2.00 2.29 0.19 2.61 -4.23 -1.26 -4.87 115.64 108.37 1i1y s THR 240 Ca 0.00 -1.40 0.07 0.00 -1.18 0.00 0.00 61.69 59.18 1i1y s THR 240 Cb 0.00 -2.69 -0.05 0.00 1.34 0.00 0.00 72.50 71.10 1i1y s THR 240 CO 0.00 0.00 -0.14 -0.36 -0.54 0.00 0.00 174.62 173.58 1i1y s PHE 241 N -2.59 1.62 0.10 3.99 0.08 -0.37 -0.94 117.98 119.88 1i1y s PHE 241 Ca 0.44 -0.60 0.04 0.00 0.12 0.00 0.00 56.93 56.93 1i1y s PHE 241 Cb -0.02 -0.77 -0.04 0.00 -0.57 0.00 0.00 43.02 41.62 1i1y s PHE 241 CO 0.26 0.30 -0.10 -0.65 -0.10 0.00 0.00 175.22 174.93 1i1y s GLN 242 N -3.61 0.88 0.13 0.44 -0.21 -0.15 -2.25 119.66 114.89 1i1y s GLN 242 Ca 0.21 -1.20 -0.23 0.00 0.02 0.00 0.00 55.36 54.15 1i1y s GLN 242 Cb -0.00 -0.57 0.07 0.00 1.00 0.00 0.00 33.01 33.51 1i1y s GLN 242 CO 0.06 0.09 0.59 0.21 -2.12 0.00 0.00 175.29 174.11 1i1y s LYS 243 N -2.91 1.23 0.07 2.91 2.20 -0.52 -0.85 119.74 121.87 1i1y s LYS 243 Ca 0.07 -0.39 -0.07 0.00 -0.36 0.00 0.00 55.97 55.22 1i1y s LYS 243 Cb -0.02 0.57 -0.01 0.00 -1.51 0.00 0.00 37.83 36.85 1i1y s LYS 243 CO 0.00 -0.51 0.13 1.67 -0.36 0.00 0.00 175.35 176.28 1i1y s TRP 244 N -3.40 0.22 -0.01 4.03 1.48 -1.26 -1.85 118.94 118.15 1i1y s TRP 244 Ca -0.01 -0.64 0.01 0.00 -1.06 0.00 0.00 56.10 54.41 1i1y s TRP 244 Cb -0.01 -0.13 0.00 0.00 -1.16 0.00 0.00 33.47 32.17 1i1y s TRP 244 CO -0.10 -0.48 -0.03 0.00 -4.06 0.00 0.00 176.95 172.29 1i1y s ALA 245 N -3.58 0.28 0.03 2.67 0.00 -0.79 -2.50 121.76 117.88 1i1y s ALA 245 Ca 0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 51.96 51.89 1i1y s ALA 245 Cb 0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 1i1y s ALA 245 CO -0.09 0.04 -0.00 0.00 0.00 0.00 0.00 175.76 175.71 1i1y s ALA 246 N 0.14 0.18 0.05 0.00 0.00 0.01 -0.58 121.76 121.57 1i1y s ALA 246 Ca -0.01 -0.74 0.01 0.00 0.00 0.00 0.00 51.96 51.22 1i1y s ALA 246 Cb -0.04 0.20 -0.03 0.00 0.00 0.00 0.00 23.12 23.25 1i1y s ALA 246 CO -0.00 -0.25 -0.06 0.14 0.00 0.00 0.00 175.76 175.59 1i1y s VAL 247 N -2.34 0.47 -0.28 0.00 -7.23 -0.80 -0.48 120.40 109.74 1i1y s VAL 247 Ca -0.08 -1.37 -0.13 0.00 -1.81 0.00 0.00 61.98 58.59 1i1y s VAL 247 Cb -0.03 -0.95 -0.04 0.00 0.56 0.00 0.00 36.38 35.92 1i1y s VAL 247 CO -0.04 -0.61 0.29 -0.69 -0.31 0.00 0.00 175.10 173.74 1i1y s VAL 248 N -2.31 5.24 -0.22 1.32 1.01 -1.26 -1.31 120.40 122.86 1i1y s VAL 248 Ca -0.03 0.33 -0.08 0.00 0.00 0.00 0.00 61.98 62.20 1i1y s VAL 248 Cb -0.04 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 1i1y s VAL 248 CO -0.03 0.17 0.08 -0.69 0.00 0.00 0.00 175.10 174.64 1i1y s VAL 249 N 1.92 4.64 0.51 2.92 1.01 0.14 -4.92 120.40 126.61 1i1y s VAL 249 Ca 0.11 -0.07 -0.22 0.00 0.00 0.00 0.00 61.98 61.79 1i1y s VAL 249 Cb -0.16 -3.14 -0.06 0.00 0.00 0.00 0.00 36.38 33.02 1i1y s VAL 249 CO 0.11 0.38 1.31 -2.84 0.00 0.00 0.00 175.10 174.05 1i1y s PRO 250 N 1.11 3.39 0.17 2.72 0.02 -1.26 -0.64 135.00 140.52 1i1y s PRO 250 Ca 0.05 2.11 -0.33 0.00 0.02 0.00 0.00 61.00 62.85 1i1y s PRO 250 Cb -0.14 -2.35 -0.14 0.00 0.02 0.00 0.00 34.50 31.89 1i1y s PRO 250 CO 0.04 -0.95 1.49 -1.13 -0.33 0.00 0.00 177.00 176.12 1i1y n SER 251 N -0.77 2.79 0.00 2.53 3.41 -1.00 -1.33 113.62 119.26 1i1y n SER 251 Ca 0.09 1.10 0.00 0.00 -0.26 0.00 0.00 58.87 59.80 1i1y n SER 251 Cb 0.46 -1.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.01 1i1y n SER 251 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i1y n GLY 252 N 2.95 0.70 0.61 5.00 0.00 -1.26 -4.90 105.19 108.28 1i1y n GLY 252 Ca 0.16 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.24 1i1y n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1i1y n GLN 253 N -2.50 2.84 -0.25 1.61 6.02 -0.44 -4.72 117.38 119.93 1i1y n GLN 253 Ca 0.00 -2.21 0.05 0.00 -0.01 0.00 0.00 57.00 54.82 1i1y n GLN 253 Cb 0.01 -1.40 0.18 0.00 1.02 0.00 0.00 30.24 30.05 1i1y n GLN 253 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1i1y h GLU 254 N 1.65 0.44 0.00 -1.09 3.07 -1.91 -1.75 114.58 114.99 1i1y h GLU 254 Ca 0.00 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1i1y h GLU 254 Cb 0.90 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 28.71 1i1y h GLU 254 CO 0.06 0.29 -0.00 -0.56 -1.40 0.00 0.00 179.01 177.39 1i1y h GLN 255 N 0.45 0.00 0.00 2.33 3.07 -1.85 -1.45 115.11 117.67 1i1y h GLN 255 Ca 0.40 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 59.13 1i1y h GLN 255 Cb 0.60 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.16 1i1y h GLN 255 CO -0.39 0.00 -0.06 0.00 0.09 0.00 0.00 178.83 178.47 1i1y h ARG 256 N 0.00 0.00 -5.67 0.06 3.08 -1.67 -3.46 114.38 106.72 1i1y h ARG 256 Ca -0.00 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.41 1i1y h ARG 256 Cb 0.11 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.08 1i1y h ARG 256 CO 0.00 0.06 -0.39 0.71 -1.07 0.00 0.00 179.97 179.28 1i1y s TYR 257 N -3.51 3.59 0.01 3.04 1.51 -0.55 -0.81 117.35 120.63 1i1y s TYR 257 Ca 0.03 0.63 0.07 0.00 -1.01 0.00 0.00 57.07 56.79 1i1y s TYR 257 Cb 0.08 -2.11 -0.02 0.00 -0.11 0.00 0.00 41.96 39.80 1i1y s TYR 257 CO 0.60 0.59 -0.22 0.95 -1.11 0.00 0.00 175.55 176.36 1i1y s THR 258 N -0.66 1.76 -0.19 -0.71 -4.23 -0.30 -4.32 115.64 107.00 1i1y s THR 258 Ca 0.17 -1.07 -0.08 0.00 -1.18 0.00 0.00 61.69 59.53 1i1y s THR 258 Cb -0.13 -1.49 -0.04 0.00 1.34 0.00 0.00 72.50 72.18 1i1y s THR 258 CO 0.06 0.39 0.07 0.00 -0.54 0.00 0.00 174.62 174.59 1i1y s HIS 260 N 0.43 2.88 -0.08 0.00 3.76 0.20 -0.92 115.29 121.55 1i1y s HIS 260 Ca 0.03 -0.65 0.03 0.00 -0.15 0.00 0.00 55.06 54.33 1i1y s HIS 260 Cb -0.12 -1.91 0.01 0.00 1.11 0.00 0.00 32.58 31.66 1i1y s HIS 260 CO 0.00 -0.24 -0.17 0.08 -0.85 0.00 0.00 174.74 173.56 1i1y s VAL 261 N 0.55 1.53 -0.06 -0.90 1.01 -0.79 -0.64 120.40 121.08 1i1y s VAL 261 Ca -0.07 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.22 1i1y s VAL 261 Cb -0.15 -1.35 0.02 0.00 0.00 0.00 0.00 36.38 34.90 1i1y s VAL 261 CO 0.03 0.44 -0.11 -1.10 0.00 0.00 0.00 175.10 174.37 1i1y s GLN 262 N 0.46 1.56 -0.16 2.72 -0.21 0.39 -1.92 119.66 122.50 1i1y s GLN 262 Ca -0.15 -0.36 -0.28 0.00 0.02 0.00 0.00 55.36 54.59 1i1y s GLN 262 Cb -0.16 -1.33 0.09 0.00 1.00 0.00 0.00 33.01 32.61 1i1y s GLN 262 CO 0.06 -0.00 0.81 -1.58 -2.12 0.00 0.00 175.29 172.45 1i1y s HIS 263 N 0.76 -0.60 0.42 0.91 2.46 -1.26 -1.20 115.29 116.78 1i1y s HIS 263 Ca -0.13 1.23 0.15 0.00 0.47 0.00 0.00 55.06 56.78 1i1y s HIS 263 Cb -0.15 0.38 1.03 0.00 -0.13 0.00 0.00 32.58 33.71 1i1y s HIS 263 CO 0.03 -0.44 1.93 1.49 -2.47 0.00 0.00 174.74 175.27 1i1y h GLU 264 N 3.59 0.42 0.00 2.88 4.81 -1.95 0.98 114.58 125.31 1i1y h GLU 264 Ca -0.26 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 1i1y h GLU 264 Cb 1.16 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.44 1i1y h GLU 264 CO 0.25 0.28 0.00 0.41 -0.73 0.00 0.00 179.01 179.21 1i1y n GLY 265 N -1.52 -1.10 3.50 1.92 0.00 -1.26 -4.71 105.19 102.03 1i1y n GLY 265 Ca 0.14 -0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 1i1y n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i1y s LEU 266 N -2.36 3.56 0.51 0.99 1.43 0.34 -4.43 118.68 118.72 1i1y s LEU 266 Ca 0.33 -0.12 0.18 0.00 -1.03 0.00 0.00 54.13 53.49 1i1y s LEU 266 Cb 0.19 -1.94 1.27 0.00 0.03 0.00 0.00 46.19 45.73 1i1y s LEU 266 CO 0.39 0.02 2.11 1.55 0.23 0.00 0.00 176.35 180.65 1i1y h PRO 267 N 7.85 0.00 -3.09 1.29 0.13 -1.84 -3.42 132.00 132.92 1i1y h PRO 267 Ca -0.37 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.61 1i1y h PRO 267 Cb 1.18 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.06 1i1y h PRO 267 CO 0.60 0.07 -0.38 0.21 -0.23 0.00 0.00 178.00 178.27 1i1y s LYS 268 N -4.82 0.38 0.36 0.86 2.20 -1.26 -5.14 119.74 112.33 1i1y s LYS 268 Ca -0.05 0.25 -0.27 0.00 -0.36 0.00 0.00 55.97 55.55 1i1y s LYS 268 Cb 0.16 0.18 -0.12 0.00 -1.51 0.00 0.00 37.83 36.54 1i1y s LYS 268 CO 0.66 -0.06 1.22 -2.30 -0.36 0.00 0.00 175.35 174.50 1i1y n PRO 269 N 2.61 1.91 -3.48 4.03 -0.02 -1.26 -4.97 135.00 133.81 1i1y n PRO 269 Ca -0.15 0.67 -0.34 0.00 -2.02 0.00 0.00 63.50 61.66 1i1y n PRO 269 Cb 0.58 -2.25 -0.05 0.00 -0.02 0.00 0.00 33.50 31.75 1i1y n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1i1y s LEU 270 N -0.93 4.30 -0.24 2.45 1.43 -0.81 -4.95 118.68 119.94 1i1y s LEU 270 Ca 0.58 0.89 0.01 0.00 -1.03 0.00 0.00 54.13 54.57 1i1y s LEU 270 Cb -0.57 -3.24 0.06 0.00 0.03 0.00 0.00 46.19 42.47 1i1y s LEU 270 CO 0.60 0.09 -0.04 -0.89 0.23 0.00 0.00 176.35 176.34 1i1y s THR 271 N -1.53 1.46 0.08 5.49 2.01 -1.26 -1.89 115.64 120.01 1i1y s THR 271 Ca 0.38 -1.21 0.05 0.00 0.31 0.00 0.00 61.69 61.22 1i1y s THR 271 Cb -0.14 -1.76 -0.04 0.00 0.01 0.00 0.00 72.50 70.57 1i1y s THR 271 CO 0.20 -0.14 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.22 1i1y s LEU 272 N 1.42 3.42 -0.15 4.42 1.43 -0.10 -4.92 118.68 124.21 1i1y s LEU 272 Ca -0.05 -0.18 -0.07 0.00 -1.03 0.00 0.00 54.13 52.80 1i1y s LEU 272 Cb -0.19 -2.14 0.06 0.00 0.03 0.00 0.00 46.19 43.95 1i1y s LEU 272 CO -0.07 0.18 0.33 -0.60 0.23 0.00 0.00 176.35 176.43 1i1y s ARG 273 N -2.23 0.27 0.04 1.70 3.52 -1.26 0.68 118.95 121.66 1i1y s ARG 273 Ca 0.25 0.77 -0.30 0.00 -0.13 0.00 0.00 55.73 56.32 1i1y s ARG 273 Cb -0.12 0.03 -0.08 0.00 -1.56 0.00 0.00 34.95 33.23 1i1y s ARG 273 CO 0.17 -0.22 1.69 -0.46 -0.81 0.00 0.00 175.30 175.68 1i1y s TRP 274 N 1.92 2.17 0.00 5.12 -0.11 -1.26 -5.05 118.94 121.73 1i1y s TRP 274 Ca -0.05 0.19 0.00 0.00 1.22 0.00 0.00 56.10 57.46 1i1y s TRP 274 Cb -0.11 -3.99 0.00 0.00 -1.50 0.00 0.00 33.47 27.88 1i1y s TRP 274 CO -0.11 -4.08 0.00 -0.85 -4.62 0.00 0.00 176.95 167.30