#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t21 s SER 2 N 0.00 4.53 0.16 1.61 1.04 -1.26 -4.52 113.70 115.26 1t21 s SER 2 Ca 0.00 1.59 -0.05 0.00 0.48 0.00 0.00 55.95 57.96 1t21 s SER 2 Cb 0.00 -2.34 -0.02 0.00 0.10 0.00 0.00 66.02 63.76 1t21 s SER 2 CO 0.00 -1.98 0.19 -1.00 0.98 0.00 0.00 173.24 171.43 1t21 s HIS 3 N -3.00 0.69 0.11 5.02 0.09 -0.36 -4.97 115.29 112.86 1t21 s HIS 3 Ca 0.61 -1.03 -0.09 0.00 -0.00 0.00 0.00 55.06 54.54 1t21 s HIS 3 Cb -0.16 -0.27 0.00 0.00 -0.00 0.00 0.00 32.58 32.15 1t21 s HIS 3 CO 0.56 -0.65 0.23 -1.54 -0.00 0.00 0.00 174.74 173.33 1t21 s SER 4 N -3.03 0.07 -0.04 1.40 1.04 -1.26 -0.12 113.70 111.77 1t21 s SER 4 Ca 0.24 -0.66 0.03 0.00 0.48 0.00 0.00 55.95 56.03 1t21 s SER 4 Cb 0.05 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1t21 s SER 4 CO 0.03 -0.77 -0.11 -0.32 0.98 0.00 0.00 173.24 173.05 1t21 s MET 5 N -3.88 1.26 -0.02 4.02 -2.45 -0.07 -0.69 119.30 117.47 1t21 s MET 5 Ca 0.07 -0.38 -0.05 0.00 -1.25 0.00 0.00 55.69 54.08 1t21 s MET 5 Cb 0.04 -1.12 0.00 0.00 1.25 0.00 0.00 34.83 35.00 1t21 s MET 5 CO -0.09 0.12 0.12 1.03 1.05 0.00 0.00 175.02 177.25 1t21 s ARG 6 N 0.26 0.31 -0.07 4.11 0.52 -0.30 -1.66 118.95 122.12 1t21 s ARG 6 Ca -0.05 -0.14 0.05 0.00 -0.52 0.00 0.00 55.73 55.07 1t21 s ARG 6 Cb -0.11 0.13 -0.00 0.00 0.52 0.00 0.00 34.95 35.49 1t21 s ARG 6 CO 0.01 -0.06 -0.23 0.71 0.02 0.00 0.00 175.30 175.75 1t21 s TYR 7 N -0.69 2.30 -0.09 -0.53 1.51 -0.28 -0.38 117.35 119.20 1t21 s TYR 7 Ca -0.08 -0.78 0.04 0.00 -1.01 0.00 0.00 57.07 55.24 1t21 s TYR 7 Cb -0.05 -1.53 -0.01 0.00 -0.11 0.00 0.00 41.96 40.26 1t21 s TYR 7 CO 0.01 -0.28 -0.22 -0.06 -1.11 0.00 0.00 175.55 173.89 1t21 s PHE 8 N 0.08 2.57 -0.05 2.71 0.40 -0.19 -2.11 117.98 121.39 1t21 s PHE 8 Ca -0.09 -0.83 0.02 0.00 -0.60 0.00 0.00 56.93 55.42 1t21 s PHE 8 Cb -0.15 -1.69 0.01 0.00 0.51 0.00 0.00 43.02 41.70 1t21 s PHE 8 CO 0.05 -0.29 -0.11 -0.06 0.70 0.00 0.00 175.22 175.51 1t21 s PHE 9 N 0.13 1.27 -0.05 0.36 0.08 0.00 -1.41 117.98 118.36 1t21 s PHE 9 Ca -0.11 -0.42 0.03 0.00 0.12 0.00 0.00 56.93 56.54 1t21 s PHE 9 Cb -0.16 -0.94 0.01 0.00 -0.57 0.00 0.00 43.02 41.36 1t21 s PHE 9 CO 0.06 -0.22 -0.12 0.99 -0.10 0.00 0.00 175.22 175.83 1t21 s THR 10 N 0.57 1.08 -0.07 0.64 2.01 0.01 -1.34 115.64 118.53 1t21 s THR 10 Ca -0.11 -0.48 0.01 0.00 0.31 0.00 0.00 61.69 61.41 1t21 s THR 10 Cb -0.14 -0.97 0.02 0.00 0.01 0.00 0.00 72.50 71.42 1t21 s THR 10 CO 0.02 0.33 -0.07 -0.44 -0.69 0.00 0.00 174.62 173.77 1t21 s SER 11 N 0.40 1.65 -0.17 3.53 0.01 -0.44 -0.69 113.70 117.99 1t21 s SER 11 Ca -0.09 -0.23 0.01 0.00 1.31 0.00 0.00 55.95 56.96 1t21 s SER 11 Cb -0.13 -0.68 0.02 0.00 0.21 0.00 0.00 66.02 65.44 1t21 s SER 11 CO 0.02 -0.06 -0.20 -0.69 0.41 0.00 0.00 173.24 172.72 1t21 s VAL 12 N 1.20 2.10 0.56 3.43 1.01 0.25 -1.28 120.40 127.68 1t21 s VAL 12 Ca -0.05 -0.94 -0.18 0.00 0.00 0.00 0.00 61.98 60.80 1t21 s VAL 12 Cb -0.14 -1.87 -0.05 0.00 0.00 0.00 0.00 36.38 34.32 1t21 s VAL 12 CO -0.02 0.54 1.10 -0.94 0.00 0.00 0.00 175.10 175.78 1t21 s SER 13 N 1.12 5.71 -0.49 3.32 1.04 -0.43 -0.04 113.70 123.93 1t21 s SER 13 Ca 0.01 2.06 0.05 0.00 0.48 0.00 0.00 55.95 58.54 1t21 s SER 13 Cb -0.14 -2.57 0.18 0.00 0.10 0.00 0.00 66.02 63.59 1t21 s SER 13 CO -0.09 -1.22 0.41 0.54 0.98 0.00 0.00 173.24 173.86 1t21 n ARG 14 N -1.55 0.73 -0.28 4.02 1.74 -1.26 -4.32 116.66 115.74 1t21 n ARG 14 Ca 0.11 -3.56 0.26 0.00 -0.77 0.00 0.00 57.85 53.89 1t21 n ARG 14 Cb 0.52 -1.81 0.61 0.00 -1.02 0.00 0.00 32.46 30.76 1t21 n ARG 14 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1t21 h PRO 15 N 5.37 0.21 -0.88 5.56 0.13 -1.85 -2.14 132.00 138.40 1t21 h PRO 15 Ca 0.22 -0.01 0.09 0.00 -0.87 0.00 0.00 66.00 65.42 1t21 h PRO 15 Cb 0.86 -0.05 -0.07 0.00 0.13 0.00 0.00 31.00 31.87 1t21 h PRO 15 CO 0.48 0.14 0.53 0.78 -0.23 0.00 0.00 178.00 179.70 1t21 h GLY 16 N 0.22 1.36 -5.82 1.56 0.00 -1.91 -3.45 103.07 95.02 1t21 h GLY 16 Ca 0.53 -0.37 0.16 0.00 0.00 0.00 0.00 47.33 47.65 1t21 h GLY 16 CO -0.15 0.19 0.77 -1.60 0.00 0.00 0.00 176.54 175.76 1t21 s ARG 17 N -6.03 0.17 1.51 4.80 3.52 -0.80 -5.17 118.95 116.95 1t21 s ARG 17 Ca -0.12 0.21 0.00 0.00 -0.13 0.00 0.00 55.73 55.68 1t21 s ARG 17 Cb 0.19 0.08 0.00 0.00 -1.56 0.00 0.00 34.95 33.67 1t21 s ARG 17 CO 0.79 -0.02 0.00 0.41 -0.81 0.00 0.00 175.30 175.67 1t21 n GLY 18 N 1.79 -1.76 3.95 8.12 0.00 -1.26 -4.83 105.19 111.20 1t21 n GLY 18 Ca -0.11 -1.36 -0.23 0.00 0.00 0.00 0.00 46.02 44.32 1t21 n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1t21 s GLU 19 N 0.00 2.89 0.74 1.61 2.02 -1.26 -4.69 118.70 120.01 1t21 s GLU 19 Ca 0.00 -0.49 -0.14 0.00 0.02 0.00 0.00 54.97 54.36 1t21 s GLU 19 Cb 0.00 -2.49 0.05 0.00 0.10 0.00 0.00 34.13 31.79 1t21 s GLU 19 CO 0.00 -0.47 1.19 -2.14 0.02 0.00 0.00 175.26 173.86 1t21 s PRO 20 N -4.69 2.09 -0.01 0.39 0.02 -1.26 -4.52 135.00 127.02 1t21 s PRO 20 Ca 0.52 1.68 -0.28 0.00 0.02 0.00 0.00 61.00 62.94 1t21 s PRO 20 Cb -0.10 -1.84 -0.04 0.00 0.02 0.00 0.00 34.50 32.55 1t21 s PRO 20 CO 0.39 -1.86 0.89 0.50 -0.33 0.00 0.00 177.00 176.59 1t21 s ARG 21 N -4.04 4.53 -0.10 5.54 6.06 0.94 -4.83 118.95 127.05 1t21 s ARG 21 Ca 0.72 1.25 0.02 0.00 -2.50 0.00 0.00 55.73 55.23 1t21 s ARG 21 Cb -0.27 -3.44 0.01 0.00 0.06 0.00 0.00 34.95 31.31 1t21 s ARG 21 CO 0.47 0.03 -0.16 0.12 -2.50 0.00 0.00 175.30 173.25 1t21 s PHE 22 N 0.79 1.97 -0.05 5.12 5.36 -1.26 -0.58 117.98 129.33 1t21 s PHE 22 Ca 0.47 -0.89 0.01 0.00 -0.96 0.00 0.00 56.93 55.55 1t21 s PHE 22 Cb -0.20 -1.41 0.02 0.00 -0.34 0.00 0.00 43.02 41.09 1t21 s PHE 22 CO 0.25 -0.45 -0.06 0.42 -1.46 0.00 0.00 175.22 173.92 1t21 s ILE 23 N 0.88 0.68 0.01 3.12 1.01 0.13 -1.26 121.20 125.77 1t21 s ILE 23 Ca -0.09 -0.19 0.05 0.00 0.00 0.00 0.00 60.65 60.42 1t21 s ILE 23 Cb -0.15 -0.69 -0.02 0.00 0.01 0.00 0.00 42.46 41.61 1t21 s ILE 23 CO 0.00 0.26 -0.16 0.00 0.00 0.00 0.00 174.94 175.04 1t21 s ALA 24 N 0.97 1.35 0.02 9.38 0.00 -0.05 -0.81 121.76 132.62 1t21 s ALA 24 Ca -0.10 -0.77 0.01 0.00 0.00 0.00 0.00 51.96 51.09 1t21 s ALA 24 Cb -0.14 -0.30 -0.01 0.00 0.00 0.00 0.00 23.12 22.66 1t21 s ALA 24 CO 0.00 0.31 -0.03 0.14 0.00 0.00 0.00 175.76 176.18 1t21 s VAL 25 N -0.55 0.19 0.03 0.00 -7.23 -0.50 -0.73 120.40 111.60 1t21 s VAL 25 Ca 0.05 -0.67 0.08 0.00 -1.81 0.00 0.00 61.98 59.63 1t21 s VAL 25 Cb -0.07 -0.27 -0.03 0.00 0.56 0.00 0.00 36.38 36.57 1t21 s VAL 25 CO 0.00 -0.31 -0.24 -0.83 -0.31 0.00 0.00 175.10 173.41 1t21 s GLY 26 N -1.03 1.41 0.05 2.32 0.00 -0.37 -1.02 107.32 108.68 1t21 s GLY 26 Ca -0.10 -1.21 0.03 0.00 0.00 0.00 0.00 44.72 43.45 1t21 s GLY 26 CO -0.00 -1.08 -0.10 -0.19 0.00 0.00 0.00 173.10 171.73 1t21 s TYR 27 N -0.78 0.90 -0.16 1.90 1.51 0.49 -0.68 117.35 120.53 1t21 s TYR 27 Ca 0.12 -0.47 0.01 0.00 -1.01 0.00 0.00 57.07 55.72 1t21 s TYR 27 Cb -0.10 -0.52 0.02 0.00 -0.11 0.00 0.00 41.96 41.25 1t21 s TYR 27 CO 0.02 -0.02 -0.18 0.08 -1.11 0.00 0.00 175.55 174.34 1t21 s VAL 28 N -1.29 1.83 0.00 0.71 1.01 -0.04 -1.15 120.40 121.47 1t21 s VAL 28 Ca -0.06 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.11 1t21 s VAL 28 Cb -0.10 -1.67 0.00 0.00 0.00 0.00 0.00 36.38 34.61 1t21 s VAL 28 CO 0.01 0.50 0.00 0.47 0.00 0.00 0.00 175.10 176.08 1t21 n ASP 29 N 4.58 0.00 -1.90 3.32 8.00 0.13 -0.25 116.55 130.44 1t21 n ASP 29 Ca -0.19 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.28 1t21 n ASP 29 Cb 0.50 0.00 0.32 0.00 -0.02 0.00 0.00 41.12 41.93 1t21 n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1t21 n ASP 30 N 4.09 4.92 -4.25 -2.24 8.00 -1.26 -4.89 116.55 120.92 1t21 n ASP 30 Ca 0.00 -3.17 -0.35 0.00 0.71 0.00 0.00 54.79 51.98 1t21 n ASP 30 Cb 0.00 -0.72 -0.14 0.00 -0.02 0.00 0.00 41.12 40.24 1t21 n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1t21 s THR 31 N -2.95 3.20 0.23 -3.53 2.01 0.65 -5.02 115.64 110.23 1t21 s THR 31 Ca 0.54 -0.87 -0.30 0.00 0.31 0.00 0.00 61.69 61.37 1t21 s THR 31 Cb 0.43 -2.61 -0.09 0.00 0.01 0.00 0.00 72.50 70.25 1t21 s THR 31 CO 0.13 0.20 1.17 -1.58 -0.69 0.00 0.00 174.62 173.86 1t21 s GLN 32 N 1.39 4.53 0.00 4.92 0.74 -1.26 -0.86 119.66 129.12 1t21 s GLN 32 Ca 0.02 1.88 0.00 0.00 0.05 0.00 0.00 55.36 57.31 1t21 s GLN 32 Cb -0.16 -3.21 0.00 0.00 1.10 0.00 0.00 33.01 30.74 1t21 s GLN 32 CO -0.03 0.01 0.00 1.97 -0.55 0.00 0.00 175.29 176.69 1t21 n PHE 33 N 1.88 0.00 -3.98 1.67 -1.74 0.14 -4.22 117.46 111.21 1t21 n PHE 33 Ca 0.02 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.81 1t21 n PHE 33 Cb 0.44 0.00 -0.07 0.00 1.52 0.00 0.00 39.48 41.37 1t21 n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1t21 s VAL 34 N -1.38 0.08 0.12 1.97 -7.23 -1.21 -0.90 120.40 111.85 1t21 s VAL 34 Ca 0.00 -1.45 -0.24 0.00 -1.81 0.00 0.00 61.98 58.48 1t21 s VAL 34 Cb 0.00 -1.83 0.08 0.00 0.56 0.00 0.00 36.38 35.19 1t21 s VAL 34 CO 0.00 -0.36 0.65 0.00 -0.31 0.00 0.00 175.10 175.09 1t21 s ARG 35 N -3.97 1.19 -0.11 4.82 1.70 -0.68 -1.24 118.95 120.66 1t21 s ARG 35 Ca 0.17 -0.39 -0.06 0.00 -0.47 0.00 0.00 55.73 54.98 1t21 s ARG 35 Cb 0.04 0.55 0.05 0.00 -0.57 0.00 0.00 34.95 35.02 1t21 s ARG 35 CO -0.01 -0.51 0.27 0.12 -1.08 0.00 0.00 175.30 174.09 1t21 s PHE 36 N -3.46 -0.37 -0.16 5.89 5.36 0.10 -0.43 117.98 124.91 1t21 s PHE 36 Ca 0.01 0.85 -0.02 0.00 -0.96 0.00 0.00 56.93 56.81 1t21 s PHE 36 Cb -0.01 0.07 0.05 0.00 -0.34 0.00 0.00 43.02 42.79 1t21 s PHE 36 CO -0.11 -0.25 -0.01 0.34 -1.46 0.00 0.00 175.22 173.73 1t21 s ASP 37 N 1.32 2.60 0.65 6.13 -1.08 -1.26 -0.87 116.67 124.16 1t21 s ASP 37 Ca -0.09 -0.60 0.34 0.00 -0.52 0.00 0.00 52.55 51.67 1t21 s ASP 37 Cb -0.10 -0.69 1.85 0.00 -1.46 0.00 0.00 42.92 42.51 1t21 s ASP 37 CO -0.09 -0.23 2.08 0.77 0.52 0.00 0.00 175.17 178.21 1t21 h SER 38 N 8.21 0.00 0.95 -0.34 4.64 -1.58 0.21 113.55 125.64 1t21 h SER 38 Ca -0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 1t21 h SER 38 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1t21 h SER 38 CO 0.35 0.00 -0.33 0.47 -0.87 0.00 0.00 176.83 176.44 1t21 n ASP 39 N -3.16 0.54 -4.87 4.97 9.92 -1.26 -4.90 116.55 117.79 1t21 n ASP 39 Ca -0.01 0.22 -0.31 0.00 -0.53 0.00 0.00 54.79 54.16 1t21 n ASP 39 Cb 0.30 -0.17 -0.01 0.00 -0.64 0.00 0.00 41.12 40.60 1t21 n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1t21 s ALA 40 N -3.08 3.16 0.26 2.24 0.00 0.74 -5.01 121.76 120.07 1t21 s ALA 40 Ca 0.10 -0.07 0.03 0.00 0.00 0.00 0.00 51.96 52.03 1t21 s ALA 40 Cb 0.15 -2.99 0.33 0.00 0.00 0.00 0.00 23.12 20.61 1t21 s ALA 40 CO 0.65 -0.42 1.63 0.00 0.00 0.00 0.00 175.76 177.62 1t21 h ALA 41 N 0.33 0.96 -0.35 0.00 0.00 -1.90 -3.29 119.26 115.00 1t21 h ALA 41 Ca -0.46 -0.46 -0.09 0.00 0.00 0.00 0.00 54.91 53.91 1t21 h ALA 41 Cb 1.19 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1t21 h ALA 41 CO 0.62 0.64 -0.14 0.66 0.00 0.00 0.00 179.25 181.03 1t21 h SER 42 N 0.27 0.61 -4.29 0.00 4.64 -1.94 -3.46 113.55 109.39 1t21 h SER 42 Ca 0.02 -0.18 -0.40 0.00 -0.47 0.00 0.00 61.79 60.76 1t21 h SER 42 Cb 0.92 -0.17 0.03 0.00 -0.31 0.00 0.00 62.40 62.88 1t21 h SER 42 CO 0.08 0.78 -0.58 0.00 -0.87 0.00 0.00 176.83 176.24 1t21 n GLN 43 N -4.17 -4.05 -4.13 4.77 1.13 -1.24 -4.97 117.38 104.71 1t21 n GLN 43 Ca 0.01 0.87 -0.11 0.00 -1.94 0.00 0.00 57.00 55.83 1t21 n GLN 43 Cb 0.36 -5.67 -0.10 0.00 0.11 0.00 0.00 30.24 24.93 1t21 n GLN 43 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1t21 s ARG 44 N -5.59 0.74 0.25 -1.09 1.81 -1.26 -5.03 118.95 108.77 1t21 s ARG 44 Ca 0.25 -1.15 -0.30 0.00 -1.72 0.00 0.00 55.73 52.80 1t21 s ARG 44 Cb -0.11 -0.22 -0.10 0.00 -0.45 0.00 0.00 34.95 34.07 1t21 s ARG 44 CO 0.30 0.00 1.34 1.41 -0.68 0.00 0.00 175.30 177.68 1t21 s MET 45 N -3.14 4.35 0.12 3.54 -2.45 -1.26 -4.70 119.30 115.76 1t21 s MET 45 Ca 0.05 2.16 0.10 0.00 -1.25 0.00 0.00 55.69 56.75 1t21 s MET 45 Cb 0.01 -3.14 -0.04 0.00 1.25 0.00 0.00 34.83 32.91 1t21 s MET 45 CO -0.03 -0.27 -0.24 -1.21 1.05 0.00 0.00 175.02 174.31 1t21 s GLU 46 N -0.66 1.30 0.45 4.11 2.02 0.43 -4.91 118.70 121.43 1t21 s GLU 46 Ca 0.55 -1.27 -0.21 0.00 0.02 0.00 0.00 54.97 54.06 1t21 s GLU 46 Cb -0.39 -1.69 -0.09 0.00 0.10 0.00 0.00 34.13 32.06 1t21 s GLU 46 CO 0.43 0.40 1.02 -1.25 0.02 0.00 0.00 175.26 175.88 1t21 s PRO 47 N -1.98 4.01 0.00 0.39 0.04 -1.26 -1.69 135.00 134.51 1t21 s PRO 47 Ca 0.11 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.48 1t21 s PRO 47 Cb -0.10 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.21 1t21 s PRO 47 CO 0.05 -0.25 0.42 0.54 0.04 0.00 0.00 177.00 177.80 1t21 n ARG 48 N -0.64 0.17 -3.82 4.56 5.12 -0.08 -4.87 116.66 117.09 1t21 n ARG 48 Ca 0.08 -0.45 -0.12 0.00 -1.93 0.00 0.00 57.85 55.42 1t21 n ARG 48 Cb 0.52 -0.54 -0.12 0.00 -1.16 0.00 0.00 32.46 31.16 1t21 n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1t21 s ALA 49 N -0.06 -0.42 0.19 7.54 0.00 -1.24 -4.71 121.76 123.07 1t21 s ALA 49 Ca 0.00 0.40 -0.11 0.00 0.00 0.00 0.00 51.96 52.25 1t21 s ALA 49 Cb 0.00 -0.23 0.22 0.00 0.00 0.00 0.00 23.12 23.11 1t21 s ALA 49 CO 0.00 -0.10 1.74 -1.00 0.00 0.00 0.00 175.76 176.40 1t21 h PRO 50 N 5.64 0.35 0.00 0.00 0.13 -1.95 -2.67 132.00 133.50 1t21 h PRO 50 Ca -0.26 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1t21 h PRO 50 Cb 1.20 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1t21 h PRO 50 CO 0.40 0.23 0.00 -2.67 -0.23 0.00 0.00 178.00 175.73 1t21 n TRP 51 N -5.02 0.11 0.30 1.56 4.27 -1.26 -1.49 117.44 115.91 1t21 n TRP 51 Ca 0.07 0.05 0.11 0.00 -3.89 0.00 0.00 57.50 53.84 1t21 n TRP 51 Cb 0.24 -0.58 -0.02 0.00 -1.36 0.00 0.00 31.31 29.59 1t21 n TRP 51 CO 0.00 0.00 0.00 1.51 -2.29 0.00 0.00 177.69 176.91 1t21 n ILE 52 N -1.60 0.30 0.31 -1.67 0.13 -1.01 -3.98 119.36 111.84 1t21 n ILE 52 Ca 0.01 -0.40 0.20 0.00 -1.10 0.00 0.00 62.75 61.46 1t21 n ILE 52 Cb 0.07 -0.03 0.95 0.00 -0.84 0.00 0.00 39.64 39.79 1t21 n ILE 52 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 1t21 h GLU 53 N 0.00 0.00 -0.20 9.51 5.08 -1.34 -2.27 114.58 125.36 1t21 h GLU 53 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1t21 h GLU 53 Cb 0.87 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 1t21 h GLU 53 CO 0.00 0.00 0.13 1.96 -1.00 0.00 0.00 179.01 180.10 1t21 h GLN 54 N 0.00 0.24 -6.78 2.33 4.20 -1.71 -3.43 115.11 109.96 1t21 h GLN 54 Ca 0.00 -0.01 -0.56 0.00 0.06 0.00 0.00 58.65 58.14 1t21 h GLN 54 Cb 0.20 -0.06 0.10 0.00 0.30 0.00 0.00 27.48 28.02 1t21 h GLN 54 CO 0.00 0.16 0.65 0.39 -0.67 0.00 0.00 178.83 179.36 1t21 n GLU 55 N -4.51 2.35 -1.84 1.46 -0.58 -0.86 -5.00 120.64 111.67 1t21 n GLU 55 Ca 0.00 0.83 -0.30 0.00 -0.42 0.00 0.00 57.16 57.27 1t21 n GLU 55 Cb 0.09 -2.49 0.20 0.00 -0.57 0.00 0.00 31.44 28.67 1t21 n GLU 55 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1t21 s GLY 56 N -0.05 1.77 0.25 0.62 0.00 -1.26 -4.86 107.32 103.79 1t21 s GLY 56 Ca 0.58 -1.22 -0.04 0.00 0.00 0.00 0.00 44.72 44.05 1t21 s GLY 56 CO 0.59 -0.41 1.74 -2.55 0.00 0.00 0.00 173.10 172.47 1t21 h PRO 57 N -1.80 0.49 -0.88 2.90 0.11 -1.97 -0.79 132.00 130.05 1t21 h PRO 57 Ca -0.44 -0.03 0.11 0.00 0.11 0.00 0.00 66.00 65.75 1t21 h PRO 57 Cb 1.23 -0.11 -0.07 0.00 0.11 0.00 0.00 31.00 32.17 1t21 h PRO 57 CO 0.35 0.32 0.57 1.05 -0.21 0.00 0.00 178.00 180.09 1t21 h GLU 58 N 0.50 0.79 0.71 1.05 9.09 -1.98 0.10 114.58 124.84 1t21 h GLU 58 Ca 0.42 -0.05 -0.03 0.00 0.05 0.00 0.00 59.36 59.75 1t21 h GLU 58 Cb 0.61 -0.18 0.01 0.00 -1.65 0.00 0.00 28.75 27.54 1t21 h GLU 58 CO -0.38 0.52 -0.34 -0.92 0.05 0.00 0.00 179.01 177.94 1t21 h TYR 59 N 0.81 -0.89 -0.63 2.06 3.20 -1.49 -1.01 116.97 119.01 1t21 h TYR 59 Ca 0.42 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.30 1t21 h TYR 59 Cb 0.51 0.29 -0.04 0.00 1.54 0.00 0.00 36.73 39.04 1t21 h TYR 59 CO -0.00 -0.53 0.42 -1.49 -1.64 0.00 0.00 178.16 174.92 1t21 h TRP 60 N -1.12 0.73 -0.30 -3.82 4.06 -1.32 -0.23 115.95 113.94 1t21 h TRP 60 Ca -0.10 0.02 -0.12 0.00 2.06 0.00 0.00 58.89 60.75 1t21 h TRP 60 Cb 0.76 -0.24 -0.00 0.00 -1.00 0.00 0.00 29.16 28.67 1t21 h TRP 60 CO -0.00 0.43 -0.28 -0.44 -3.56 0.00 0.00 178.44 174.58 1t21 h ASP 61 N 0.76 0.77 -0.26 -3.49 3.32 -0.77 -1.13 116.42 115.62 1t21 h ASP 61 Ca 0.25 -0.47 -0.03 0.00 0.02 0.00 0.00 57.03 56.80 1t21 h ASP 61 Cb 0.07 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1t21 h ASP 61 CO -0.07 1.08 0.03 1.23 -1.72 0.00 0.00 179.24 179.79 1t21 h GLY 62 N 0.48 0.47 1.44 2.75 0.00 -0.65 -1.40 103.07 106.16 1t21 h GLY 62 Ca 0.05 -0.32 -0.05 0.00 0.00 0.00 0.00 47.33 47.00 1t21 h GLY 62 CO 0.07 0.30 0.05 0.83 0.00 0.00 0.00 176.54 177.79 1t21 h GLU 63 N 0.23 0.70 -0.23 4.80 4.39 -1.06 -0.72 114.58 122.69 1t21 h GLU 63 Ca 0.08 -0.15 -0.06 0.00 0.34 0.00 0.00 59.36 59.56 1t21 h GLU 63 Cb 0.36 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 1t21 h GLU 63 CO 0.01 0.68 -0.10 1.15 -1.16 0.00 0.00 179.01 179.59 1t21 h THR 64 N 0.67 1.30 -0.13 1.13 2.02 -1.11 -0.28 112.91 116.50 1t21 h THR 64 Ca 0.14 -1.15 -0.00 0.00 0.77 0.00 0.00 66.41 66.17 1t21 h THR 64 Cb 0.34 1.56 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 1t21 h THR 64 CO 0.01 0.36 0.08 -0.09 0.37 0.00 0.00 175.52 176.24 1t21 h ARG 65 N 0.20 0.18 -0.72 6.66 2.43 -0.95 -1.92 114.38 120.26 1t21 h ARG 65 Ca 0.05 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.16 1t21 h ARG 65 Cb 0.59 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.07 1t21 h ARG 65 CO 0.03 0.17 0.26 0.87 -1.51 0.00 0.00 179.97 179.80 1t21 h LYS 66 N 0.14 1.10 -0.09 0.20 1.57 -1.12 -1.92 116.57 116.45 1t21 h LYS 66 Ca 0.05 -0.21 -0.11 0.00 -1.87 0.00 0.00 60.65 58.50 1t21 h LYS 66 Cb 0.04 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 1t21 h LYS 66 CO -0.01 0.92 -0.45 -0.24 -0.57 0.00 0.00 179.45 179.10 1t21 h VAL 67 N 1.05 1.33 -0.50 0.50 3.04 -0.91 -0.85 116.25 119.92 1t21 h VAL 67 Ca 0.24 -1.62 -0.08 0.00 -1.01 0.00 0.00 66.70 64.23 1t21 h VAL 67 Cb 0.25 1.76 -0.02 0.00 -2.01 0.00 0.00 31.29 31.28 1t21 h VAL 67 CO -0.01 0.48 0.01 0.11 -1.01 0.00 0.00 177.57 177.14 1t21 h LYS 68 N 0.18 0.87 -0.49 4.17 1.57 -1.16 -1.17 116.57 120.55 1t21 h LYS 68 Ca 0.01 -0.28 -0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1t21 h LYS 68 Cb 0.88 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.08 1t21 h LYS 68 CO 0.07 0.91 0.29 0.00 -0.57 0.00 0.00 179.45 180.14 1t21 h ALA 69 N 0.94 1.59 -0.31 3.86 0.00 -0.83 -1.66 119.26 122.85 1t21 h ALA 69 Ca 0.14 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1t21 h ALA 69 Cb 0.51 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1t21 h ALA 69 CO 0.02 0.36 0.09 0.45 0.00 0.00 0.00 179.25 180.17 1t21 h HIS 70 N 0.67 0.50 -0.93 0.00 3.86 -0.37 -2.41 115.15 116.46 1t21 h HIS 70 Ca 0.18 -0.05 0.02 0.00 -1.16 0.00 0.00 60.37 59.36 1t21 h HIS 70 Cb -0.01 -0.14 -0.05 0.00 1.06 0.00 0.00 27.41 28.26 1t21 h HIS 70 CO 0.00 0.51 0.61 0.66 0.86 0.00 0.00 177.93 180.58 1t21 h SER 71 N 0.34 1.03 -0.40 2.45 4.64 -0.36 -1.14 113.55 120.11 1t21 h SER 71 Ca 0.10 -0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 61.32 1t21 h SER 71 Cb 0.25 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1t21 h SER 71 CO -0.00 0.73 -0.03 1.56 -0.87 0.00 0.00 176.83 178.22 1t21 h GLN 72 N 1.21 0.81 -0.49 4.77 1.08 -1.16 0.11 115.11 121.45 1t21 h GLN 72 Ca 0.35 -0.23 -0.03 0.00 -1.45 0.00 0.00 58.65 57.29 1t21 h GLN 72 Cb -0.07 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.25 1t21 h GLN 72 CO -0.09 0.83 0.18 1.15 -0.95 0.00 0.00 178.83 179.95 1t21 h THR 73 N 0.75 1.22 -0.62 -0.54 2.02 -0.90 -0.36 112.91 114.47 1t21 h THR 73 Ca 0.14 -0.69 -0.08 0.00 0.77 0.00 0.00 66.41 66.55 1t21 h THR 73 Cb 0.49 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 1t21 h THR 73 CO 0.02 0.26 0.07 0.45 0.37 0.00 0.00 175.52 176.69 1t21 h HIS 74 N 0.65 1.10 -0.20 3.16 3.86 -0.66 0.26 115.15 123.32 1t21 h HIS 74 Ca 0.16 -0.16 0.02 0.00 -1.16 0.00 0.00 60.37 59.23 1t21 h HIS 74 Cb 0.22 -0.30 -0.02 0.00 1.06 0.00 0.00 27.41 28.37 1t21 h HIS 74 CO 0.01 0.95 0.07 -0.09 0.86 0.00 0.00 177.93 179.73 1t21 h ARG 75 N 0.96 0.16 -0.56 2.45 2.43 -0.40 -0.19 114.38 119.24 1t21 h ARG 75 Ca 0.19 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1t21 h ARG 75 Cb 0.46 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.95 1t21 h ARG 75 CO 0.02 0.11 0.33 0.28 -1.51 0.00 0.00 179.97 179.20 1t21 h VAL 76 N 0.17 1.17 -0.52 0.20 2.07 -0.66 -2.95 116.25 115.73 1t21 h VAL 76 Ca 0.09 -0.39 0.06 0.00 0.82 0.00 0.00 66.70 67.27 1t21 h VAL 76 Cb 0.05 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 30.19 1t21 h VAL 76 CO -0.09 0.18 0.23 0.44 0.02 0.00 0.00 177.57 178.35 1t21 h ASP 77 N 0.75 0.28 -0.93 0.57 3.32 0.18 -0.74 116.42 119.85 1t21 h ASP 77 Ca 0.20 0.05 0.15 0.00 0.02 0.00 0.00 57.03 57.44 1t21 h ASP 77 Cb -0.00 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.47 1t21 h ASP 77 CO -0.04 0.19 0.59 -0.07 -1.72 0.00 0.00 179.24 178.20 1t21 h LEU 78 N 0.44 0.71 -0.06 1.55 3.38 -0.88 0.28 115.31 120.73 1t21 h LEU 78 Ca 0.24 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.20 1t21 h LEU 78 Cb 0.21 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1t21 h LEU 78 CO -0.21 0.35 -0.20 1.23 0.09 0.00 0.00 178.44 179.70 1t21 h GLY 79 N 0.75 0.27 0.77 0.83 0.00 -1.24 -2.30 103.07 102.16 1t21 h GLY 79 Ca 0.47 -0.35 0.04 0.00 0.00 0.00 0.00 47.33 47.49 1t21 h GLY 79 CO -0.23 0.32 0.35 -0.84 0.00 0.00 0.00 176.54 176.13 1t21 h THR 80 N -0.26 1.01 -0.26 4.70 2.02 -0.32 -2.51 112.91 117.29 1t21 h THR 80 Ca -0.01 -0.23 -0.09 0.00 0.77 0.00 0.00 66.41 66.86 1t21 h THR 80 Cb 0.82 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 1t21 h THR 80 CO 0.04 0.12 -0.22 -0.07 0.37 0.00 0.00 175.52 175.77 1t21 h LEU 81 N 0.67 0.48 -0.59 2.58 3.38 -0.52 -1.49 115.31 119.82 1t21 h LEU 81 Ca 0.26 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.10 1t21 h LEU 81 Cb 0.10 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 1t21 h LEU 81 CO -0.14 0.70 0.37 -0.09 0.09 0.00 0.00 178.44 179.37 1t21 h ARG 82 N 0.43 0.71 0.14 1.13 2.43 -0.99 -1.24 114.38 117.01 1t21 h ARG 82 Ca 0.07 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1t21 h ARG 82 Cb 0.62 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1t21 h ARG 82 CO 0.04 0.47 -0.07 0.78 -1.51 0.00 0.00 179.97 179.69 1t21 h GLY 83 N 0.73 -0.20 0.05 2.80 0.00 -1.20 0.21 103.07 105.47 1t21 h GLY 83 Ca 0.23 0.07 0.16 0.00 0.00 0.00 0.00 47.33 47.80 1t21 h GLY 83 CO -0.08 -0.07 0.32 -0.97 0.00 0.00 0.00 176.54 175.73 1t21 h TYR 84 N -0.50 0.54 -0.17 5.60 0.05 -1.03 0.85 116.97 122.31 1t21 h TYR 84 Ca -0.02 0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.80 1t21 h TYR 84 Cb 0.39 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 38.02 1t21 h TYR 84 CO 0.02 0.04 0.00 0.66 -1.05 0.00 0.00 178.16 177.83 1t21 n TYR 85 N -5.02 0.22 -3.64 4.88 4.01 -0.49 -4.93 117.16 112.19 1t21 n TYR 85 Ca 0.16 -0.11 -0.23 0.00 -0.16 0.00 0.00 57.90 57.56 1t21 n TYR 85 Cb 0.47 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.54 1t21 n TYR 85 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1t21 n ASN 86 N 0.45 -2.93 -4.82 7.72 5.15 0.29 -4.97 115.26 116.15 1t21 n ASN 86 Ca 0.17 -0.86 -0.25 0.00 -0.60 0.00 0.00 54.58 53.04 1t21 n ASN 86 Cb 0.36 -4.00 -0.05 0.00 -0.53 0.00 0.00 39.78 35.57 1t21 n ASN 86 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1t21 s GLN 87 N -5.78 2.97 0.83 1.20 -0.21 0.61 -5.02 119.66 114.26 1t21 s GLN 87 Ca 0.19 -0.90 -0.11 0.00 0.02 0.00 0.00 55.36 54.55 1t21 s GLN 87 Cb -0.05 -2.66 0.10 0.00 1.00 0.00 0.00 33.01 31.40 1t21 s GLN 87 CO 0.82 0.46 1.14 0.45 -2.12 0.00 0.00 175.29 176.04 1t21 s SER 88 N -3.37 3.64 0.00 5.90 0.15 -1.26 -4.79 113.70 113.97 1t21 s SER 88 Ca 0.32 2.12 0.27 0.00 0.70 0.00 0.00 55.95 59.36 1t21 s SER 88 Cb -0.09 -2.56 0.78 0.00 -1.71 0.00 0.00 66.02 62.44 1t21 s SER 88 CO 0.24 -2.62 1.58 -0.62 1.20 0.00 0.00 173.24 173.03 1t21 n GLU 89 N -3.70 0.76 0.14 5.44 1.02 -1.26 -3.99 120.64 119.05 1t21 n GLU 89 Ca 0.11 -0.43 0.09 0.00 -0.02 0.00 0.00 57.16 56.91 1t21 n GLU 89 Cb 0.52 -1.49 0.05 0.00 -0.02 0.00 0.00 31.44 30.50 1t21 n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1t21 h ALA 90 N 3.62 0.72 -2.56 0.62 0.00 -1.96 -3.43 119.26 116.27 1t21 h ALA 90 Ca 0.00 -0.17 -0.55 0.00 0.00 0.00 0.00 54.91 54.19 1t21 h ALA 90 Cb 0.49 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1t21 h ALA 90 CO 0.00 0.21 -0.16 0.20 0.00 0.00 0.00 179.25 179.49 1t21 s GLY 91 N -4.38 2.25 0.07 0.00 0.00 -1.26 -4.76 107.32 99.25 1t21 s GLY 91 Ca 0.02 -0.35 -0.25 0.00 0.00 0.00 0.00 44.72 44.15 1t21 s GLY 91 CO 0.74 -0.23 0.76 -0.45 0.00 0.00 0.00 173.10 173.93 1t21 s SER 92 N -2.41 7.25 0.28 1.64 0.15 -1.26 -4.75 113.70 114.60 1t21 s SER 92 Ca 0.46 1.49 0.04 0.00 0.70 0.00 0.00 55.95 58.64 1t21 s SER 92 Cb -0.11 -2.47 -0.06 0.00 -1.71 0.00 0.00 66.02 61.67 1t21 s SER 92 CO 0.22 0.07 0.02 -1.00 1.20 0.00 0.00 173.24 173.75 1t21 s HIS 93 N -0.35 1.83 -0.05 3.44 3.76 -1.26 -4.94 115.29 117.72 1t21 s HIS 93 Ca 0.38 -0.90 0.02 0.00 -0.15 0.00 0.00 55.06 54.41 1t21 s HIS 93 Cb -0.21 -1.12 0.01 0.00 1.11 0.00 0.00 32.58 32.37 1t21 s HIS 93 CO 0.24 0.05 -0.11 0.99 -0.85 0.00 0.00 174.74 175.06 1t21 s THR 94 N -3.28 0.98 -0.08 1.30 2.01 -1.26 -1.31 115.64 114.00 1t21 s THR 94 Ca 0.33 -0.41 0.04 0.00 0.31 0.00 0.00 61.69 61.96 1t21 s THR 94 Cb 0.07 -0.90 -0.02 0.00 0.01 0.00 0.00 72.50 71.66 1t21 s THR 94 CO 0.13 0.32 -0.19 0.68 -0.69 0.00 0.00 174.62 174.86 1t21 s VAL 95 N 0.60 2.57 0.08 3.82 -7.23 -0.40 -0.31 120.40 119.52 1t21 s VAL 95 Ca -0.12 -0.87 0.07 0.00 -1.81 0.00 0.00 61.98 59.25 1t21 s VAL 95 Cb -0.14 -2.00 -0.03 0.00 0.56 0.00 0.00 36.38 34.77 1t21 s VAL 95 CO 0.02 0.56 -0.18 -1.10 -0.31 0.00 0.00 175.10 174.09 1t21 s GLN 96 N -0.16 1.06 -0.03 4.82 -0.21 -0.44 -1.33 119.66 123.37 1t21 s GLN 96 Ca -0.02 -1.03 -0.05 0.00 0.02 0.00 0.00 55.36 54.28 1t21 s GLN 96 Cb -0.14 -1.22 0.01 0.00 1.00 0.00 0.00 33.01 32.66 1t21 s GLN 96 CO 0.04 0.29 0.11 0.50 -2.12 0.00 0.00 175.29 174.10 1t21 s ARG 97 N -1.68 0.26 -0.06 2.91 3.52 -0.45 -0.61 118.95 122.83 1t21 s ARG 97 Ca 0.04 -0.07 -0.04 0.00 -0.13 0.00 0.00 55.73 55.53 1t21 s ARG 97 Cb -0.10 0.11 0.03 0.00 -1.56 0.00 0.00 34.95 33.44 1t21 s ARG 97 CO 0.03 -0.05 0.15 1.41 -0.81 0.00 0.00 175.30 176.04 1t21 s MET 98 N -0.51 0.13 0.17 5.12 -2.45 -0.67 -0.82 119.30 120.28 1t21 s MET 98 Ca -0.06 0.32 -0.13 0.00 -1.25 0.00 0.00 55.69 54.57 1t21 s MET 98 Cb -0.04 -0.08 0.01 0.00 1.25 0.00 0.00 34.83 35.98 1t21 s MET 98 CO 0.00 -0.11 0.40 1.52 1.05 0.00 0.00 175.02 177.88 1t21 s TYR 99 N 0.76 0.10 -5.00 4.11 -0.85 -0.90 -1.04 117.35 114.54 1t21 s TYR 99 Ca -0.06 -0.46 0.00 0.00 -0.52 0.00 0.00 57.07 56.04 1t21 s TYR 99 Cb -0.07 0.17 0.00 0.00 0.38 0.00 0.00 41.96 42.44 1t21 s TYR 99 CO -0.04 -0.80 0.00 0.41 -1.52 0.00 0.00 175.55 173.61 1t21 n GLY 100 N -0.26 -1.72 3.09 5.49 0.00 -0.44 -1.13 105.19 110.22 1t21 n GLY 100 Ca -0.10 -1.28 -0.08 0.00 0.00 0.00 0.00 46.02 44.56 1t21 n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t21 s ASP 102 N -2.52 3.61 -0.03 0.00 1.01 0.77 -0.89 116.67 118.62 1t21 s ASP 102 Ca 0.01 -0.71 0.07 0.00 0.71 0.00 0.00 52.55 52.63 1t21 s ASP 102 Cb 0.03 -0.37 -0.02 0.00 1.01 0.00 0.00 42.92 43.57 1t21 s ASP 102 CO -0.08 0.16 -0.23 0.68 0.21 0.00 0.00 175.17 175.91 1t21 s VAL 103 N -1.31 1.85 0.31 -1.27 -7.23 0.83 -1.35 120.40 112.24 1t21 s VAL 103 Ca 0.18 -0.99 -0.05 0.00 -1.81 0.00 0.00 61.98 59.31 1t21 s VAL 103 Cb -0.09 -1.54 0.07 0.00 0.56 0.00 0.00 36.38 35.38 1t21 s VAL 103 CO 0.09 0.52 0.43 0.61 -0.31 0.00 0.00 175.10 176.44 1t21 n GLY 104 N 2.61 -1.21 0.32 2.32 0.00 0.19 -1.22 105.19 108.21 1t21 n GLY 104 Ca -0.16 -1.69 0.19 0.00 0.00 0.00 0.00 46.02 44.36 1t21 n GLY 104 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1t21 h SER 105 N -0.55 0.00 -0.08 1.61 4.64 -1.89 0.61 113.55 117.89 1t21 h SER 105 Ca -0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1t21 h SER 105 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1t21 h SER 105 CO 0.10 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.16 1t21 n ASP 106 N -3.42 0.71 -0.00 4.97 5.68 -1.26 -4.61 116.55 118.62 1t21 n ASP 106 Ca -0.02 -1.58 -0.00 0.00 -0.50 0.00 0.00 54.79 52.69 1t21 n ASP 106 Cb 0.13 -0.05 -0.00 0.00 -1.14 0.00 0.00 41.12 40.06 1t21 n ASP 106 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1t21 n TRP 107 N -0.30 0.00 -4.02 2.11 7.02 0.21 -4.98 117.44 117.47 1t21 n TRP 107 Ca 0.14 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 56.41 1t21 n TRP 107 Cb 0.17 -1.21 -0.03 0.00 -2.42 0.00 0.00 31.31 27.81 1t21 n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1t21 s ARG 108 N -1.22 3.10 0.09 -0.99 0.52 -1.26 -4.80 118.95 114.40 1t21 s ARG 108 Ca 0.00 -0.97 -0.36 0.00 -0.52 0.00 0.00 55.73 53.88 1t21 s ARG 108 Cb 0.00 -2.68 -0.17 0.00 0.52 0.00 0.00 34.95 32.62 1t21 s ARG 108 CO 0.00 0.38 1.21 0.34 0.02 0.00 0.00 175.30 177.25 1t21 n PHE 109 N -1.29 1.21 -0.02 -0.53 7.35 -1.26 -0.64 117.46 122.28 1t21 n PHE 109 Ca -0.07 0.75 -0.06 0.00 -0.76 0.00 0.00 57.45 57.31 1t21 n PHE 109 Cb 0.58 -2.26 -0.02 0.00 0.35 0.00 0.00 39.48 38.13 1t21 n PHE 109 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 1t21 n LEU 110 N 2.17 0.63 -3.50 -2.13 7.94 -0.46 -4.64 117.00 117.02 1t21 n LEU 110 Ca 0.18 0.10 -0.11 0.00 -1.11 0.00 0.00 56.01 55.07 1t21 n LEU 110 Cb 0.18 -0.24 -0.02 0.00 0.53 0.00 0.00 43.42 43.87 1t21 n LEU 110 CO 0.61 -0.04 0.42 0.00 -1.11 0.00 0.00 177.39 177.28 1t21 s ARG 111 N -2.13 1.35 0.11 1.96 1.70 -1.19 -4.99 118.95 115.76 1t21 s ARG 111 Ca -0.08 -0.55 0.03 0.00 -0.47 0.00 0.00 55.73 54.65 1t21 s ARG 111 Cb 0.03 0.59 -0.04 0.00 -0.57 0.00 0.00 34.95 34.95 1t21 s ARG 111 CO 0.11 -0.60 -0.08 0.20 -1.08 0.00 0.00 175.30 173.85 1t21 s GLY 112 N -2.77 0.86 0.06 3.88 0.00 -1.26 -0.16 107.32 107.92 1t21 s GLY 112 Ca 0.03 -1.39 -0.10 0.00 0.00 0.00 0.00 44.72 43.26 1t21 s GLY 112 CO -0.10 -1.49 0.21 -2.52 0.00 0.00 0.00 173.10 169.20 1t21 s TYR 113 N -3.50 0.07 -0.29 1.90 -0.85 0.69 -4.81 117.35 110.54 1t21 s TYR 113 Ca 0.13 -0.35 -0.00 0.00 -0.52 0.00 0.00 57.07 56.33 1t21 s TYR 113 Cb 0.04 -0.02 0.19 0.00 0.38 0.00 0.00 41.96 42.56 1t21 s TYR 113 CO -0.03 -0.48 0.72 -1.58 -1.52 0.00 0.00 175.55 172.66 1t21 s HIS 114 N -3.05 -1.44 0.22 -3.49 2.46 -1.25 -1.33 115.29 107.42 1t21 s HIS 114 Ca -0.01 0.98 0.08 0.00 0.47 0.00 0.00 55.06 56.58 1t21 s HIS 114 Cb 0.01 0.30 -0.05 0.00 -0.13 0.00 0.00 32.58 32.71 1t21 s HIS 114 CO -0.07 -0.83 -0.15 1.14 -2.47 0.00 0.00 174.74 172.37 1t21 s GLN 115 N 2.87 1.40 -0.00 2.88 -2.07 -0.21 0.05 119.66 124.58 1t21 s GLN 115 Ca 0.15 -1.63 -0.01 0.00 -1.82 0.00 0.00 55.36 52.05 1t21 s GLN 115 Cb -0.09 -1.23 -0.00 0.00 -1.09 0.00 0.00 33.01 30.60 1t21 s GLN 115 CO -0.23 0.20 0.01 -0.47 -1.32 0.00 0.00 175.29 173.48 1t21 s TYR 116 N -2.90 0.02 0.07 9.60 6.14 0.95 -1.66 117.35 129.57 1t21 s TYR 116 Ca 0.24 -0.04 0.04 0.00 0.64 0.00 0.00 57.07 57.95 1t21 s TYR 116 Cb -0.01 -0.02 -0.03 0.00 0.42 0.00 0.00 41.96 42.31 1t21 s TYR 116 CO 0.08 -0.04 -0.11 0.00 0.64 0.00 0.00 175.55 176.12 1t21 s ALA 117 N -0.24 1.01 -0.08 3.97 0.00 0.22 -0.67 121.76 125.96 1t21 s ALA 117 Ca -0.03 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 50.96 1t21 s ALA 117 Cb -0.02 -0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.09 1t21 s ALA 117 CO -0.00 0.07 -0.12 -0.47 0.00 0.00 0.00 175.76 175.23 1t21 s TYR 118 N -1.60 1.57 -1.62 0.00 5.04 -0.76 -1.33 117.35 118.65 1t21 s TYR 118 Ca -0.02 -0.64 -0.14 0.00 -2.44 0.00 0.00 57.07 53.83 1t21 s TYR 118 Cb -0.08 -1.16 0.11 0.00 0.35 0.00 0.00 41.96 41.18 1t21 s TYR 118 CO 0.01 -0.34 0.72 -0.25 -1.34 0.00 0.00 175.55 174.35 1t21 n ASP 119 N 4.01 -2.74 -0.06 4.32 8.00 0.57 -2.11 116.55 128.54 1t21 n ASP 119 Ca -0.21 -0.99 -0.01 0.00 0.71 0.00 0.00 54.79 54.29 1t21 n ASP 119 Cb 0.51 -2.93 -0.00 0.00 -0.02 0.00 0.00 41.12 38.68 1t21 n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1t21 n GLY 120 N -1.58 0.47 3.14 0.44 0.00 -1.26 -5.02 105.19 101.38 1t21 n GLY 120 Ca -0.02 -0.21 -0.22 0.00 0.00 0.00 0.00 46.02 45.57 1t21 n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t21 s LYS 121 N -0.80 1.07 0.20 1.61 1.02 -0.90 -5.10 119.74 116.85 1t21 s LYS 121 Ca 0.00 -0.68 -0.29 0.00 0.02 0.00 0.00 55.97 55.02 1t21 s LYS 121 Cb 0.00 -1.07 -0.16 0.00 -0.52 0.00 0.00 37.83 36.07 1t21 s LYS 121 CO 0.00 0.28 0.73 -0.25 -0.92 0.00 0.00 175.35 175.18 1t21 n ASP 122 N 2.22 -0.36 0.01 2.83 8.00 -1.26 -1.83 116.55 126.15 1t21 n ASP 122 Ca -0.16 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.48 1t21 n ASP 122 Cb 0.55 -1.05 0.00 0.00 -0.02 0.00 0.00 41.12 40.60 1t21 n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1t21 n TYR 123 N 0.28 -0.00 -3.81 1.24 9.36 0.15 -4.71 117.16 119.67 1t21 n TYR 123 Ca 0.16 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.26 1t21 n TYR 123 Cb 0.25 0.00 -0.11 0.00 -0.63 0.00 0.00 39.34 38.85 1t21 n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1t21 s ILE 124 N -1.14 0.02 -0.01 2.97 2.07 -1.04 -1.20 121.20 122.88 1t21 s ILE 124 Ca 0.00 -0.19 -0.03 0.00 -1.41 0.00 0.00 60.65 59.02 1t21 s ILE 124 Cb 0.00 -0.36 -0.00 0.00 0.13 0.00 0.00 42.46 42.23 1t21 s ILE 124 CO 0.00 -0.10 0.06 0.00 -1.91 0.00 0.00 174.94 172.99 1t21 s ALA 125 N -0.33 -0.14 0.06 1.50 0.00 0.08 -0.03 121.76 122.89 1t21 s ALA 125 Ca -0.04 -0.08 -0.30 0.00 0.00 0.00 0.00 51.96 51.53 1t21 s ALA 125 Cb -0.03 0.00 -0.05 0.00 0.00 0.00 0.00 23.12 23.05 1t21 s ALA 125 CO 0.01 -0.11 1.06 -1.17 0.00 0.00 0.00 175.76 175.55 1t21 s LEU 126 N -0.70 4.40 0.82 0.00 2.96 0.11 -0.03 118.68 126.24 1t21 s LEU 126 Ca -0.08 1.84 -0.11 0.00 -0.22 0.00 0.00 54.13 55.56 1t21 s LEU 126 Cb -0.05 -3.58 0.09 0.00 0.50 0.00 0.00 46.19 43.15 1t21 s LEU 126 CO 0.00 -0.29 1.09 -0.54 -1.32 0.00 0.00 176.35 175.29 1t21 s LYS 127 N 0.71 1.85 0.37 1.98 1.02 0.48 -4.58 119.74 121.56 1t21 s LYS 127 Ca 0.53 0.75 0.12 0.00 0.02 0.00 0.00 55.97 57.39 1t21 s LYS 127 Cb -0.25 -1.88 0.91 0.00 -0.52 0.00 0.00 37.83 36.09 1t21 s LYS 127 CO 0.29 -1.81 1.84 1.49 -0.92 0.00 0.00 175.35 176.24 1t21 h GLU 128 N -1.23 0.58 0.00 1.68 4.81 -1.88 0.31 114.58 118.85 1t21 h GLU 128 Ca -0.47 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1t21 h GLU 128 Cb 1.27 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1t21 h GLU 128 CO 0.57 0.38 0.00 -0.40 -0.73 0.00 0.00 179.01 178.83 1t21 n ASP 129 N -4.60 0.00 -2.32 1.04 3.85 -1.26 -4.77 116.55 108.50 1t21 n ASP 129 Ca 0.20 -0.20 -0.15 0.00 -0.71 0.00 0.00 54.79 53.93 1t21 n ASP 129 Cb 0.60 -0.17 -0.01 0.00 -1.35 0.00 0.00 41.12 40.19 1t21 n ASP 129 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 1t21 n LEU 130 N -1.17 -1.40 0.00 -2.12 4.77 0.11 -4.76 117.00 112.43 1t21 n LEU 130 Ca 0.10 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 1t21 n LEU 130 Cb 0.10 -2.41 0.00 0.00 -2.33 0.00 0.00 43.42 38.78 1t21 n LEU 130 CO 0.12 -0.23 -0.26 0.54 -1.33 0.00 0.00 177.39 176.22 1t21 n ARG 131 N -2.78 2.75 -4.48 3.23 1.74 -1.26 -4.64 116.66 111.22 1t21 n ARG 131 Ca -0.18 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.67 1t21 n ARG 131 Cb 0.62 -0.76 -0.10 0.00 -1.02 0.00 0.00 32.46 31.20 1t21 n ARG 131 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1t21 s SER 132 N -1.20 3.12 0.05 0.55 1.04 -1.26 -4.92 113.70 111.08 1t21 s SER 132 Ca 0.00 -1.21 0.08 0.00 0.48 0.00 0.00 55.95 55.30 1t21 s SER 132 Cb 0.00 -0.23 -0.03 0.00 0.10 0.00 0.00 66.02 65.85 1t21 s SER 132 CO 0.00 -0.31 -0.20 0.26 0.98 0.00 0.00 173.24 173.97 1t21 s TRP 133 N -2.88 2.50 -0.30 5.02 0.52 -1.26 -0.39 118.94 122.15 1t21 s TRP 133 Ca 0.31 -0.29 -0.07 0.00 0.02 0.00 0.00 56.10 56.07 1t21 s TRP 133 Cb 0.04 -1.42 0.01 0.00 -1.15 0.00 0.00 33.47 30.94 1t21 s TRP 133 CO 0.14 0.25 0.08 0.99 0.02 0.00 0.00 176.95 178.42 1t21 s THR 134 N -0.93 3.94 -0.20 2.01 2.01 0.95 -4.90 115.64 118.52 1t21 s THR 134 Ca 0.14 -0.72 -0.05 0.00 0.31 0.00 0.00 61.69 61.37 1t21 s THR 134 Cb -0.10 -3.04 -0.02 0.00 0.01 0.00 0.00 72.50 69.34 1t21 s THR 134 CO 0.05 0.07 -0.00 0.00 -0.69 0.00 0.00 174.62 174.04 1t21 s ALA 135 N 1.49 3.02 0.22 7.40 0.00 -1.26 -0.74 121.76 131.89 1t21 s ALA 135 Ca 0.02 -0.99 0.13 0.00 0.00 0.00 0.00 51.96 51.12 1t21 s ALA 135 Cb -0.17 -1.76 0.43 0.00 0.00 0.00 0.00 23.12 21.62 1t21 s ALA 135 CO 0.02 -0.15 1.63 0.00 0.00 0.00 0.00 175.76 177.27 1t21 h ALA 136 N 7.49 0.95 -2.70 0.00 0.00 -1.44 -3.46 119.26 120.11 1t21 h ALA 136 Ca -0.36 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 54.00 1t21 h ALA 136 Cb 1.18 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1t21 h ALA 136 CO 0.61 0.69 0.01 -0.40 0.00 0.00 0.00 179.25 180.16 1t21 n ASP 137 N -3.68 -0.51 0.23 0.00 5.68 -1.26 -5.04 116.55 111.98 1t21 n ASP 137 Ca -0.01 -1.51 0.11 0.00 -0.50 0.00 0.00 54.79 52.88 1t21 n ASP 137 Cb 0.60 0.89 0.50 0.00 -1.14 0.00 0.00 41.12 41.97 1t21 n ASP 137 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 1t21 h MET 138 N 0.00 0.00 0.19 0.11 2.86 -1.98 0.33 114.93 116.44 1t21 h MET 138 Ca -0.09 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 1t21 h MET 138 Cb 0.35 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1t21 h MET 138 CO 0.11 0.19 -0.09 0.00 1.06 0.00 0.00 176.91 178.19 1t21 h ALA 139 N 1.81 -0.25 -0.06 6.32 0.00 -1.97 -2.80 119.26 122.31 1t21 h ALA 139 Ca -0.00 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.73 1t21 h ALA 139 Cb 0.70 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1t21 h ALA 139 CO 0.03 -0.43 0.04 0.00 0.00 0.00 0.00 179.25 178.88 1t21 h ALA 140 N 0.01 2.04 -0.71 0.00 0.00 -1.76 -1.84 119.26 117.01 1t21 h ALA 140 Ca -0.03 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1t21 h ALA 140 Cb 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1t21 h ALA 140 CO 0.04 -0.07 0.26 1.96 0.00 0.00 0.00 179.25 181.44 1t21 h GLN 141 N 0.00 1.06 -0.49 0.00 1.08 -0.81 0.73 115.11 116.68 1t21 h GLN 141 Ca 0.03 -0.20 -0.10 0.00 -1.45 0.00 0.00 58.65 56.93 1t21 h GLN 141 Cb 0.11 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.35 1t21 h GLN 141 CO -0.00 0.88 -0.10 1.79 -0.95 0.00 0.00 178.83 180.45 1t21 h THR 142 N 1.04 1.27 -0.37 -0.54 1.35 -1.07 -0.88 112.91 113.70 1t21 h THR 142 Ca 0.24 -1.23 -0.00 0.00 -0.55 0.00 0.00 66.41 64.86 1t21 h THR 142 Cb 0.24 1.05 -0.02 0.00 -1.73 0.00 0.00 68.15 67.69 1t21 h THR 142 CO -0.02 0.43 0.23 0.74 -0.25 0.00 0.00 175.52 176.65 1t21 h THR 143 N 0.79 1.12 -0.61 6.82 2.02 -1.25 -2.10 112.91 119.70 1t21 h THR 143 Ca 0.13 -0.27 0.06 0.00 0.77 0.00 0.00 66.41 67.10 1t21 h THR 143 Cb 0.65 0.63 -0.05 0.00 -1.74 0.00 0.00 68.15 67.64 1t21 h THR 143 CO 0.04 0.12 0.32 0.50 0.37 0.00 0.00 175.52 176.88 1t21 h LYS 144 N 0.48 0.58 -0.85 6.66 3.64 -0.53 0.60 116.57 127.15 1t21 h LYS 144 Ca 0.13 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 1t21 h LYS 144 Cb -0.00 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 31.64 1t21 h LYS 144 CO -0.03 0.39 0.44 0.45 -2.27 0.00 0.00 179.45 178.43 1t21 h HIS 145 N 0.60 1.20 -0.42 1.91 3.86 -0.86 -0.48 115.15 120.96 1t21 h HIS 145 Ca 0.28 -0.04 -0.07 0.00 -1.16 0.00 0.00 60.37 59.38 1t21 h HIS 145 Cb 0.19 -0.38 -0.01 0.00 1.06 0.00 0.00 27.41 28.27 1t21 h HIS 145 CO -0.09 0.85 -0.00 -0.22 0.86 0.00 0.00 177.93 179.32 1t21 h LYS 146 N 1.20 0.75 0.00 2.45 3.64 -0.67 -2.39 116.57 121.55 1t21 h LYS 146 Ca 0.30 -0.24 -0.10 0.00 -1.27 0.00 0.00 60.65 59.34 1t21 h LYS 146 Cb 0.07 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1t21 h LYS 146 CO -0.04 0.83 -0.46 -1.49 -2.27 0.00 0.00 179.45 176.02 1t21 h TRP 147 N 0.58 0.00 -0.30 1.91 4.06 -0.67 -1.83 115.95 119.71 1t21 h TRP 147 Ca 0.12 0.00 -0.12 0.00 2.06 0.00 0.00 58.89 60.95 1t21 h TRP 147 Cb 0.49 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.65 1t21 h TRP 147 CO 0.04 0.46 -0.26 0.93 -3.56 0.00 0.00 178.44 176.04 1t21 h GLU 148 N 0.00 0.70 -0.18 0.49 5.08 -0.90 -0.32 114.58 119.45 1t21 h GLU 148 Ca -0.00 -0.36 -0.09 0.00 -1.00 0.00 0.00 59.36 57.91 1t21 h GLU 148 Cb 0.87 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 1t21 h GLU 148 CO 0.06 0.97 -0.28 0.00 -1.00 0.00 0.00 179.01 178.77 1t21 h ALA 149 N 0.72 1.20 -0.04 3.43 0.00 -1.28 -1.98 119.26 121.30 1t21 h ALA 149 Ca 0.05 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1t21 h ALA 149 Cb 0.83 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1t21 h ALA 149 CO 0.07 0.52 0.00 0.00 0.00 0.00 0.00 179.25 179.84 1t21 n ALA 150 N -2.48 2.57 -3.81 0.00 0.00 -0.70 -4.94 120.51 111.15 1t21 n ALA 150 Ca -0.01 -0.45 -0.26 0.00 0.00 0.00 0.00 53.44 52.73 1t21 n ALA 150 Cb 0.40 -1.16 0.03 0.00 0.00 0.00 0.00 19.45 18.71 1t21 n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1t21 n HIS 151 N 0.16 -2.10 -0.07 0.00 -0.00 -0.44 -4.88 115.22 107.88 1t21 n HIS 151 Ca 0.19 0.87 -0.02 0.00 -0.00 0.00 0.00 57.72 58.76 1t21 n HIS 151 Cb 0.34 -4.19 0.22 0.00 -0.00 0.00 0.00 29.99 26.37 1t21 n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 1t21 h VAL 152 N -1.99 1.22 -0.79 1.59 2.07 -1.38 -2.98 116.25 114.00 1t21 h VAL 152 Ca -0.60 -0.86 0.01 0.00 0.82 0.00 0.00 66.70 66.08 1t21 h VAL 152 Cb 1.37 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 31.93 1t21 h VAL 152 CO 0.62 0.30 0.52 0.00 0.02 0.00 0.00 177.57 179.03 1t21 h ALA 153 N 1.38 1.01 -0.66 1.67 0.00 -1.90 -1.64 119.26 119.13 1t21 h ALA 153 Ca 0.14 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1t21 h ALA 153 Cb 0.35 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1t21 h ALA 153 CO 0.01 0.39 0.39 1.49 0.00 0.00 0.00 179.25 181.52 1t21 h GLU 154 N 1.05 0.90 -0.56 0.00 4.81 -1.79 0.88 114.58 119.87 1t21 h GLU 154 Ca 0.30 -0.09 -0.09 0.00 -0.13 0.00 0.00 59.36 59.35 1t21 h GLU 154 Cb -0.09 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.09 1t21 h GLU 154 CO -0.08 0.65 -0.02 1.96 -0.73 0.00 0.00 179.01 180.79 1t21 h GLN 155 N 0.89 0.98 -0.28 1.92 4.20 -1.42 -2.49 115.11 118.91 1t21 h GLN 155 Ca 0.23 -0.31 -0.12 0.00 0.06 0.00 0.00 58.65 58.51 1t21 h GLN 155 Cb -0.01 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.68 1t21 h GLN 155 CO -0.04 0.98 -0.30 -0.07 -0.67 0.00 0.00 178.83 178.73 1t21 h LEU 156 N 0.90 0.76 -0.94 1.46 3.38 -0.98 -2.92 115.31 116.95 1t21 h LEU 156 Ca 0.16 -0.48 0.09 0.00 0.09 0.00 0.00 57.88 57.75 1t21 h LEU 156 Cb 0.55 -0.21 -0.08 0.00 0.09 0.00 0.00 40.66 41.02 1t21 h LEU 156 CO 0.03 1.08 0.59 -0.09 0.09 0.00 0.00 178.44 180.14 1t21 h ARG 157 N 0.45 0.96 -0.50 1.13 2.43 -0.73 0.23 114.38 118.34 1t21 h ARG 157 Ca 0.04 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1t21 h ARG 157 Cb 0.87 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 1t21 h ARG 157 CO 0.07 0.63 0.29 0.00 -1.51 0.00 0.00 179.97 179.45 1t21 h ALA 158 N 1.48 0.64 -0.01 2.80 0.00 -1.36 -1.19 119.26 121.63 1t21 h ALA 158 Ca 0.44 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 1t21 h ALA 158 Cb 0.35 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1t21 h ALA 158 CO -0.23 0.15 -0.00 -0.92 0.00 0.00 0.00 179.25 178.25 1t21 h TYR 159 N 0.67 0.01 -0.78 0.00 3.20 -0.97 -1.58 116.97 117.53 1t21 h TYR 159 Ca 0.18 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 1t21 h TYR 159 Cb 0.03 -0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.26 1t21 h TYR 159 CO -0.02 0.37 0.44 -0.07 -1.64 0.00 0.00 178.16 177.24 1t21 h LEU 160 N -0.35 0.95 0.00 2.82 3.38 -0.54 0.31 115.31 121.88 1t21 h LEU 160 Ca 0.00 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1t21 h LEU 160 Cb 0.37 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1t21 h LEU 160 CO 0.00 0.75 -0.66 -0.33 0.09 0.00 0.00 178.44 178.29 1t21 h GLU 161 N 1.08 0.00 0.00 1.13 5.08 -1.28 -3.34 114.58 117.25 1t21 h GLU 161 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1t21 h GLU 161 Cb -0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1t21 h GLU 161 CO -0.05 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.37 1t21 n GLY 162 N 1.15 0.38 0.36 -3.84 0.00 -0.59 -4.63 105.19 98.03 1t21 n GLY 162 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.04 1t21 n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1t21 h THR 163 N 0.00 0.04 -0.33 2.61 2.02 -1.57 0.79 112.91 116.46 1t21 h THR 163 Ca 0.00 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.24 1t21 h THR 163 Cb 0.00 0.04 -0.06 0.00 -1.74 0.00 0.00 68.15 66.39 1t21 h THR 163 CO 0.00 0.00 -0.04 0.00 0.37 0.00 0.00 175.52 175.85 1t21 h VAL 165 N 0.05 1.28 -0.66 0.00 2.07 -1.26 -1.36 116.25 116.36 1t21 h VAL 165 Ca 0.16 -1.28 0.01 0.00 0.82 0.00 0.00 66.70 66.41 1t21 h VAL 165 Cb 0.23 1.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 1t21 h VAL 165 CO -0.30 0.43 0.43 -0.33 0.02 0.00 0.00 177.57 177.82 1t21 h GLU 166 N 0.67 0.85 -0.07 1.57 5.08 -0.52 -1.52 114.58 120.64 1t21 h GLU 166 Ca 0.10 -0.05 -0.19 0.00 -1.00 0.00 0.00 59.36 58.22 1t21 h GLU 166 Cb 0.70 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1t21 h GLU 166 CO 0.05 0.56 -0.74 -1.49 -1.00 0.00 0.00 179.01 176.39 1t21 h TRP 167 N 0.87 0.55 -0.59 4.33 4.06 -1.10 -1.88 115.95 122.20 1t21 h TRP 167 Ca 0.25 -0.25 0.02 0.00 2.06 0.00 0.00 58.89 60.97 1t21 h TRP 167 Cb -0.07 -0.08 -0.03 0.00 -1.00 0.00 0.00 29.16 27.98 1t21 h TRP 167 CO -0.03 1.01 0.37 1.25 -3.56 0.00 0.00 178.44 177.48 1t21 h LEU 168 N 0.27 0.62 -0.84 -4.49 5.85 -0.88 0.13 115.31 115.97 1t21 h LEU 168 Ca -0.03 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.62 1t21 h LEU 168 Cb 1.32 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 42.19 1t21 h LEU 168 CO 0.13 0.44 0.14 0.03 -0.34 0.00 0.00 178.44 178.84 1t21 h ARG 169 N 0.74 1.00 -0.11 1.25 3.08 -1.17 -0.04 114.38 119.14 1t21 h ARG 169 Ca 0.23 -0.23 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1t21 h ARG 169 Cb -0.02 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 1t21 h ARG 169 CO -0.08 0.90 0.06 -0.09 -1.07 0.00 0.00 179.97 179.69 1t21 h ARG 170 N 0.96 0.16 -0.83 0.04 2.43 -0.61 -2.03 114.38 114.50 1t21 h ARG 170 Ca 0.20 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.32 1t21 h ARG 170 Cb 0.36 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.84 1t21 h ARG 170 CO 0.00 0.20 0.41 1.88 -1.51 0.00 0.00 179.97 180.96 1t21 h TYR 171 N 0.07 1.17 -0.68 2.20 0.05 -0.43 -1.45 116.97 117.90 1t21 h TYR 171 Ca 0.04 -0.05 0.03 0.00 0.05 0.00 0.00 58.73 58.80 1t21 h TYR 171 Cb 0.10 -0.37 -0.04 0.00 1.01 0.00 0.00 36.73 37.43 1t21 h TYR 171 CO -0.04 0.84 0.43 -0.07 -1.05 0.00 0.00 178.16 178.27 1t21 h LEU 172 N 1.17 0.70 -0.03 3.88 3.38 -0.77 -0.95 115.31 122.71 1t21 h LEU 172 Ca 0.29 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 1t21 h LEU 172 Cb 0.09 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 1t21 h LEU 172 CO -0.04 0.49 -0.01 -0.08 0.09 0.00 0.00 178.44 178.88 1t21 h GLU 173 N 0.84 0.06 -0.65 1.13 4.81 -1.01 -0.88 114.58 118.87 1t21 h GLU 173 Ca 0.27 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.51 1t21 h GLU 173 Cb 0.01 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.36 1t21 h GLU 173 CO -0.10 0.47 0.43 -0.91 -0.73 0.00 0.00 179.01 178.16 1t21 h ASN 174 N -0.36 0.67 -0.39 1.04 2.35 -1.10 -2.45 115.58 115.35 1t21 h ASN 174 Ca 0.01 -0.01 -0.13 0.00 -0.55 0.00 0.00 56.30 55.61 1t21 h ASN 174 Cb 0.45 -0.16 -0.08 0.00 0.05 0.00 0.00 38.32 38.59 1t21 h ASN 174 CO 0.00 0.47 0.03 0.61 -1.65 0.00 0.00 177.43 176.89 1t21 n GLY 175 N -1.45 4.42 0.44 2.83 0.00 -0.37 -4.75 105.19 106.32 1t21 n GLY 175 Ca 0.08 -1.12 0.26 0.00 0.00 0.00 0.00 46.02 45.23 1t21 n GLY 175 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1t21 h LYS 176 N 1.46 0.21 -0.63 1.61 2.10 -0.64 0.14 116.57 120.81 1t21 h LYS 176 Ca 0.16 -0.01 0.16 0.00 -2.00 0.00 0.00 60.65 58.96 1t21 h LYS 176 Cb 1.71 -0.05 -0.03 0.00 -0.90 0.00 0.00 32.23 32.96 1t21 h LYS 176 CO 0.40 0.14 0.44 0.93 -2.00 0.00 0.00 179.45 179.36 1t21 h GLU 177 N 0.22 0.16 0.00 0.07 3.07 -1.85 -2.42 114.58 113.83 1t21 h GLU 177 Ca 0.51 -0.01 -0.09 0.00 -0.50 0.00 0.00 59.36 59.28 1t21 h GLU 177 Cb 1.62 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 29.48 1t21 h GLU 177 CO -0.13 0.11 -1.30 0.25 -1.40 0.00 0.00 179.01 176.53 1t21 n THR 178 N -4.41 0.30 0.11 1.13 -2.24 -0.37 -4.52 114.28 104.26 1t21 n THR 178 Ca 0.12 -0.09 0.05 0.00 -2.27 0.00 0.00 64.05 61.86 1t21 n THR 178 Cb 0.59 -1.20 0.49 0.00 -2.10 0.00 0.00 70.33 68.12 1t21 n THR 178 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1t21 h LEU 179 N -0.11 0.28 -3.51 3.22 3.38 -0.86 -1.99 115.31 115.72 1t21 h LEU 179 Ca -0.13 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 1t21 h LEU 179 Cb 1.14 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.78 1t21 h LEU 179 CO -0.06 0.23 0.07 0.00 0.09 0.00 0.00 178.44 178.78 1t21 n GLN 180 N -4.47 3.71 -5.09 1.13 6.02 -0.91 -4.90 117.38 112.87 1t21 n GLN 180 Ca 0.00 -3.05 -0.32 0.00 -0.01 0.00 0.00 57.00 53.63 1t21 n GLN 180 Cb 0.10 -2.09 -0.15 0.00 1.02 0.00 0.00 30.24 29.11 1t21 n GLN 180 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1t21 s ARG 181 N -2.90 2.76 -0.11 -1.09 3.52 -0.75 -5.01 118.95 115.38 1t21 s ARG 181 Ca 0.50 -0.82 -0.06 0.00 -0.13 0.00 0.00 55.73 55.23 1t21 s ARG 181 Cb 0.40 -2.32 -0.04 0.00 -1.56 0.00 0.00 34.95 31.44 1t21 s ARG 181 CO 0.12 0.38 0.12 0.95 -0.81 0.00 0.00 175.30 176.05 1t21 s THR 182 N -0.12 5.30 -0.37 4.11 -4.23 -1.26 -4.82 115.64 114.25 1t21 s THR 182 Ca -0.03 0.11 -0.07 0.00 -1.18 0.00 0.00 61.69 60.51 1t21 s THR 182 Cb -0.14 -3.31 0.05 0.00 1.34 0.00 0.00 72.50 70.45 1t21 s THR 182 CO 0.04 0.60 0.16 -1.81 -0.54 0.00 0.00 174.62 173.07 1t21 s ASP 183 N -1.06 5.42 0.46 3.99 1.01 0.52 -4.95 116.67 122.06 1t21 s ASP 183 Ca 0.15 -1.30 -0.24 0.00 0.71 0.00 0.00 52.55 51.87 1t21 s ASP 183 Cb -0.12 -1.91 -0.07 0.00 1.01 0.00 0.00 42.92 41.83 1t21 s ASP 183 CO 0.05 -0.40 1.30 0.00 0.21 0.00 0.00 175.17 176.32 1t21 s ALA 184 N 1.40 3.08 0.39 5.23 0.00 -1.26 -0.88 121.76 129.72 1t21 s ALA 184 Ca 0.01 1.22 -0.26 0.00 0.00 0.00 0.00 51.96 52.92 1t21 s ALA 184 Cb -0.21 -3.50 -0.09 0.00 0.00 0.00 0.00 23.12 19.33 1t21 s ALA 184 CO 0.02 -0.97 1.27 -1.25 0.00 0.00 0.00 175.76 174.84 1t21 s PRO 185 N -2.53 4.03 -0.23 0.00 0.04 -1.26 -4.53 135.00 130.52 1t21 s PRO 185 Ca 0.63 2.09 -0.15 0.00 0.04 0.00 0.00 61.00 63.60 1t21 s PRO 185 Cb -0.37 -2.78 -0.04 0.00 0.04 0.00 0.00 34.50 31.35 1t21 s PRO 185 CO 0.46 -0.42 0.38 0.15 0.04 0.00 0.00 177.00 177.61 1t21 s LYS 186 N -2.19 4.11 0.17 4.56 1.02 0.37 -4.82 119.74 122.96 1t21 s LYS 186 Ca 0.56 0.12 0.11 0.00 0.02 0.00 0.00 55.97 56.78 1t21 s LYS 186 Cb -0.37 -3.58 -0.04 0.00 -0.52 0.00 0.00 37.83 33.32 1t21 s LYS 186 CO 0.47 -0.13 -0.24 0.95 -0.92 0.00 0.00 175.35 175.48 1t21 s THR 187 N 1.60 2.25 0.17 2.17 -4.23 -1.26 0.14 115.64 116.48 1t21 s THR 187 Ca 0.17 -1.92 -0.24 0.00 -1.18 0.00 0.00 61.69 58.52 1t21 s THR 187 Cb -0.15 -2.04 0.06 0.00 1.34 0.00 0.00 72.50 71.71 1t21 s THR 187 CO 0.08 -0.07 0.89 -1.38 -0.54 0.00 0.00 174.62 173.60 1t21 s HIS 188 N -1.49 -0.18 0.03 3.99 -3.43 -1.05 -5.01 115.29 108.15 1t21 s HIS 188 Ca 0.18 -0.14 0.06 0.00 -0.80 0.00 0.00 55.06 54.35 1t21 s HIS 188 Cb -0.08 0.64 -0.02 0.00 -1.43 0.00 0.00 32.58 31.69 1t21 s HIS 188 CO 0.08 -0.89 -0.17 1.41 -2.00 0.00 0.00 174.74 173.17 1t21 s MET 189 N -3.43 1.20 0.23 -0.38 1.75 -1.26 -0.60 119.30 116.82 1t21 s MET 189 Ca 0.11 -0.79 0.11 0.00 -1.25 0.00 0.00 55.69 53.87 1t21 s MET 189 Cb -0.02 -1.24 -0.05 0.00 2.84 0.00 0.00 34.83 36.36 1t21 s MET 189 CO 0.02 0.32 -0.18 0.95 -0.65 0.00 0.00 175.02 175.48 1t21 s THR 190 N -0.73 2.66 -0.07 10.11 -4.23 -0.21 -4.96 115.64 118.20 1t21 s THR 190 Ca 0.05 -2.10 0.02 0.00 -1.18 0.00 0.00 61.69 58.48 1t21 s THR 190 Cb -0.08 -2.34 0.01 0.00 1.34 0.00 0.00 72.50 71.43 1t21 s THR 190 CO 0.01 -0.25 -0.13 -2.28 -0.54 0.00 0.00 174.62 171.43 1t21 s HIS 191 N -2.06 1.58 -0.09 3.99 2.46 -1.26 -1.42 115.29 118.49 1t21 s HIS 191 Ca 0.26 -0.62 -0.01 0.00 0.47 0.00 0.00 55.06 55.16 1t21 s HIS 191 Cb -0.07 -1.15 0.03 0.00 -0.13 0.00 0.00 32.58 31.26 1t21 s HIS 191 CO 0.14 -0.32 -0.01 -1.01 -2.47 0.00 0.00 174.74 171.06 1t21 s HIS 192 N 0.74 0.89 -0.10 3.88 3.76 -0.15 -4.97 115.29 119.34 1t21 s HIS 192 Ca -0.13 -0.35 -0.30 0.00 -0.15 0.00 0.00 55.06 54.13 1t21 s HIS 192 Cb -0.16 -0.92 -0.02 0.00 1.11 0.00 0.00 32.58 32.59 1t21 s HIS 192 CO 0.03 -0.39 1.20 0.00 -0.85 0.00 0.00 174.74 174.73 1t21 s ALA 193 N 1.90 3.55 -0.85 -1.40 0.00 -1.26 0.10 121.76 123.80 1t21 s ALA 193 Ca 0.05 0.53 0.22 0.00 0.00 0.00 0.00 51.96 52.76 1t21 s ALA 193 Cb -0.13 -3.54 -0.14 0.00 0.00 0.00 0.00 23.12 19.31 1t21 s ALA 193 CO -0.06 -0.89 0.92 1.33 0.00 0.00 0.00 175.76 177.05 1t21 n VAL 194 N 4.87 0.02 -3.87 0.00 0.24 -0.67 -4.94 118.33 113.98 1t21 n VAL 194 Ca 0.12 -0.08 -0.03 0.00 -2.04 0.00 0.00 64.34 62.30 1t21 n VAL 194 Cb 0.46 0.73 0.02 0.00 -1.47 0.00 0.00 33.84 33.58 1t21 n VAL 194 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1t21 s SER 195 N -3.27 -0.01 0.21 -1.34 1.04 -1.05 -4.95 113.70 104.35 1t21 s SER 195 Ca 0.06 -0.67 0.22 0.00 0.48 0.00 0.00 55.95 56.05 1t21 s SER 195 Cb 0.16 0.50 0.92 0.00 0.10 0.00 0.00 66.02 67.70 1t21 s SER 195 CO 0.85 -1.00 1.68 0.47 0.98 0.00 0.00 173.24 176.22 1t21 n ASP 196 N -1.18 0.57 0.00 7.02 8.00 -1.26 -3.36 116.55 126.33 1t21 n ASP 196 Ca -0.03 0.63 0.00 0.00 0.71 0.00 0.00 54.79 56.10 1t21 n ASP 196 Cb 0.59 -0.76 0.00 0.00 -0.02 0.00 0.00 41.12 40.94 1t21 n ASP 196 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1t21 n HIS 197 N -2.12 0.00 -4.17 1.24 8.25 -1.26 -4.91 115.22 112.25 1t21 n HIS 197 Ca 0.03 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.30 1t21 n HIS 197 Cb 0.24 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.23 1t21 n HIS 197 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1t21 s GLU 198 N -0.30 0.82 0.03 -0.41 8.01 -1.21 -1.06 118.70 124.58 1t21 s GLU 198 Ca 0.00 -0.96 -0.04 0.00 0.01 0.00 0.00 54.97 53.98 1t21 s GLU 198 Cb 0.00 -0.83 -0.02 0.00 -4.31 0.00 0.00 34.13 28.98 1t21 s GLU 198 CO 0.00 0.18 0.05 0.00 0.01 0.00 0.00 175.26 175.50 1t21 s ALA 199 N -1.29 0.02 -0.14 5.21 0.00 -0.40 -1.67 121.76 123.49 1t21 s ALA 199 Ca -0.02 -0.59 -0.02 0.00 0.00 0.00 0.00 51.96 51.33 1t21 s ALA 199 Cb -0.10 0.21 -0.02 0.00 0.00 0.00 0.00 23.12 23.21 1t21 s ALA 199 CO 0.02 -0.27 -0.07 0.99 0.00 0.00 0.00 175.76 176.43 1t21 s THR 200 N -2.31 3.59 -0.20 0.00 2.01 0.12 -0.69 115.64 118.17 1t21 s THR 200 Ca -0.08 -0.47 -0.05 0.00 0.31 0.00 0.00 61.69 61.40 1t21 s THR 200 Cb -0.03 -2.55 -0.03 0.00 0.01 0.00 0.00 72.50 69.90 1t21 s THR 200 CO -0.03 0.51 0.00 -0.76 -0.69 0.00 0.00 174.62 173.65 1t21 s LEU 201 N 0.30 3.31 -0.15 4.42 1.43 -0.31 -0.97 118.68 126.70 1t21 s LEU 201 Ca -0.06 -0.17 0.01 0.00 -1.03 0.00 0.00 54.13 52.88 1t21 s LEU 201 Cb -0.15 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.24 1t21 s LEU 201 CO 0.04 0.08 -0.16 -0.60 0.23 0.00 0.00 176.35 175.94 1t21 s ARG 202 N 0.89 3.17 -0.29 1.70 3.52 -0.51 -1.31 118.95 126.13 1t21 s ARG 202 Ca 0.01 -0.77 -0.10 0.00 -0.13 0.00 0.00 55.73 54.74 1t21 s ARG 202 Cb -0.14 -2.60 -0.03 0.00 -1.56 0.00 0.00 34.95 30.62 1t21 s ARG 202 CO 0.02 -0.01 0.17 0.00 -0.81 0.00 0.00 175.30 174.68 1t21 s TRP 204 N 1.70 3.49 -0.18 0.00 0.52 0.23 -1.35 118.94 123.35 1t21 s TRP 204 Ca 0.06 0.43 -0.01 0.00 0.02 0.00 0.00 56.10 56.61 1t21 s TRP 204 Cb -0.16 -1.89 0.05 0.00 -1.15 0.00 0.00 33.47 30.32 1t21 s TRP 204 CO 0.09 0.67 -0.04 0.00 0.02 0.00 0.00 176.95 177.69 1t21 s ALA 205 N -1.04 1.49 0.20 0.98 0.00 -0.36 -2.53 121.76 120.51 1t21 s ALA 205 Ca 0.16 -0.90 0.10 0.00 0.00 0.00 0.00 51.96 51.32 1t21 s ALA 205 Cb -0.12 -1.18 -0.04 0.00 0.00 0.00 0.00 23.12 21.77 1t21 s ALA 205 CO 0.06 -0.91 -0.20 -0.51 0.00 0.00 0.00 175.76 174.20 1t21 s LEU 206 N 1.62 2.48 -1.59 0.00 1.43 0.12 -1.98 118.68 120.77 1t21 s LEU 206 Ca -0.01 -0.92 -0.13 0.00 -1.03 0.00 0.00 54.13 52.04 1t21 s LEU 206 Cb -0.16 -0.96 0.10 0.00 0.03 0.00 0.00 46.19 45.20 1t21 s LEU 206 CO -0.07 0.01 0.77 -0.24 0.23 0.00 0.00 176.35 177.05 1t21 n SER 207 N 0.01 -3.10 -4.94 2.29 2.88 -0.78 -0.47 113.62 109.51 1t21 n SER 207 Ca -0.11 -0.94 -0.21 0.00 -1.33 0.00 0.00 58.87 56.29 1t21 n SER 207 Cb 0.58 -3.18 -0.02 0.00 -0.75 0.00 0.00 64.21 60.83 1t21 n SER 207 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1t21 s PHE 208 N -3.43 3.33 -0.27 0.66 -0.12 -0.98 -4.71 117.98 112.45 1t21 s PHE 208 Ca 0.55 -0.07 -0.19 0.00 -0.05 0.00 0.00 56.93 57.18 1t21 s PHE 208 Cb -0.29 -1.59 0.08 0.00 -0.63 0.00 0.00 43.02 40.58 1t21 s PHE 208 CO 0.89 0.40 0.68 -0.47 -0.05 0.00 0.00 175.22 176.67 1t21 s TYR 209 N -2.04 -0.95 0.87 3.49 5.04 -0.06 -0.63 117.35 123.07 1t21 s TYR 209 Ca 0.35 2.01 -0.15 0.00 -2.44 0.00 0.00 57.07 56.85 1t21 s TYR 209 Cb -0.09 0.50 0.22 0.00 0.35 0.00 0.00 41.96 42.93 1t21 s TYR 209 CO 0.28 -0.47 0.75 -0.35 -1.34 0.00 0.00 175.55 174.43 1t21 n PRO 210 N 3.77 -2.61 0.13 4.97 -0.04 -1.26 -0.35 135.00 139.60 1t21 n PRO 210 Ca -0.18 -1.20 -0.02 0.00 -0.04 0.00 0.00 63.50 62.06 1t21 n PRO 210 Cb 0.58 -1.15 0.18 0.00 -0.04 0.00 0.00 33.50 33.06 1t21 n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1t21 h ALA 211 N -2.56 1.00 -2.16 0.55 0.00 -1.96 -3.45 119.26 110.67 1t21 h ALA 211 Ca -0.29 -0.54 -0.60 0.00 0.00 0.00 0.00 54.91 53.49 1t21 h ALA 211 Cb 0.88 -0.09 0.06 0.00 0.00 0.00 0.00 17.79 18.63 1t21 h ALA 211 CO 0.19 0.73 0.71 -1.91 0.00 0.00 0.00 179.25 178.97 1t21 n GLU 212 N -3.85 1.95 -3.53 0.00 4.07 -1.26 -4.96 120.64 113.05 1t21 n GLU 212 Ca -0.01 0.70 -0.08 0.00 -0.06 0.00 0.00 57.16 57.71 1t21 n GLU 212 Cb 0.59 -2.43 -0.02 0.00 -0.06 0.00 0.00 31.44 29.51 1t21 n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 1t21 s ILE 213 N 0.74 0.00 -0.05 6.31 2.07 -1.26 -4.67 121.20 124.34 1t21 s ILE 213 Ca 0.79 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 60.03 1t21 s ILE 213 Cb -0.73 -1.00 0.03 0.00 0.13 0.00 0.00 42.46 40.89 1t21 s ILE 213 CO 0.41 0.00 -0.02 -0.89 -1.91 0.00 0.00 174.94 172.53 1t21 s THR 214 N -2.71 0.41 -0.13 4.00 2.01 -0.68 -5.01 115.64 113.53 1t21 s THR 214 Ca 0.05 0.01 0.01 0.00 0.31 0.00 0.00 61.69 62.08 1t21 s THR 214 Cb -0.01 -0.50 -0.00 0.00 0.01 0.00 0.00 72.50 72.00 1t21 s THR 214 CO -0.07 0.22 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.15 1t21 s LEU 215 N 1.34 2.39 0.02 4.42 1.43 -1.26 -1.27 118.68 125.75 1t21 s LEU 215 Ca -0.05 -0.48 0.02 0.00 -1.03 0.00 0.00 54.13 52.60 1t21 s LEU 215 Cb -0.13 -1.52 -0.01 0.00 0.03 0.00 0.00 46.19 44.55 1t21 s LEU 215 CO -0.02 0.12 -0.07 -0.89 0.23 0.00 0.00 176.35 175.72 1t21 s THR 216 N 0.58 0.54 -0.03 5.49 2.01 -0.32 -4.96 115.64 118.95 1t21 s THR 216 Ca -0.10 -0.68 -0.01 0.00 0.31 0.00 0.00 61.69 61.20 1t21 s THR 216 Cb -0.16 -0.53 -0.04 0.00 0.01 0.00 0.00 72.50 71.78 1t21 s THR 216 CO 0.03 -0.11 0.06 0.26 -0.69 0.00 0.00 174.62 174.18 1t21 s TRP 217 N -0.75 3.27 0.06 4.92 0.52 -1.26 0.22 118.94 125.92 1t21 s TRP 217 Ca -0.03 0.23 0.05 0.00 0.02 0.00 0.00 56.10 56.36 1t21 s TRP 217 Cb -0.06 -1.76 -0.03 0.00 -1.15 0.00 0.00 33.47 30.47 1t21 s TRP 217 CO 0.00 0.54 -0.15 -0.65 0.02 0.00 0.00 176.95 176.72 1t21 s GLN 218 N -1.47 0.90 -0.15 4.98 -0.21 -0.07 -0.72 119.66 122.94 1t21 s GLN 218 Ca 0.20 -0.86 0.01 0.00 0.02 0.00 0.00 55.36 54.72 1t21 s GLN 218 Cb -0.12 -0.93 0.02 0.00 1.00 0.00 0.00 33.01 32.99 1t21 s GLN 218 CO 0.10 0.22 -0.16 0.50 -2.12 0.00 0.00 175.29 173.83 1t21 s ARG 219 N -1.43 2.49 -1.39 2.91 3.00 0.24 -1.28 118.95 123.49 1t21 s ARG 219 Ca 0.00 -0.64 -0.03 0.00 -1.00 0.00 0.00 55.73 54.07 1t21 s ARG 219 Cb -0.09 -2.19 0.00 0.00 0.00 0.00 0.00 34.95 32.67 1t21 s ARG 219 CO 0.02 -0.18 0.43 -0.25 0.00 0.00 0.00 175.30 175.32 1t21 n ASP 220 N 4.56 -0.72 -0.14 -2.12 8.00 0.37 -1.63 116.55 124.87 1t21 n ASP 220 Ca -0.18 -1.03 -0.02 0.00 0.71 0.00 0.00 54.79 54.27 1t21 n ASP 220 Cb 0.50 -2.98 -0.01 0.00 -0.02 0.00 0.00 41.12 38.62 1t21 n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1t21 n GLY 221 N -1.99 0.46 2.89 0.44 0.00 -1.26 -5.01 105.19 100.71 1t21 n GLY 221 Ca -0.29 -0.15 -0.16 0.00 0.00 0.00 0.00 46.02 45.42 1t21 n GLY 221 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1t21 s GLU 222 N -1.22 0.35 0.13 1.61 2.56 -0.65 -5.07 118.70 116.41 1t21 s GLU 222 Ca 0.00 -0.05 -0.34 0.00 0.00 0.00 0.00 54.97 54.58 1t21 s GLU 222 Cb 0.00 -0.41 -0.17 0.00 2.00 0.00 0.00 34.13 35.54 1t21 s GLU 222 CO 0.00 -0.01 0.99 -0.25 -0.56 0.00 0.00 175.26 175.43 1t21 n ASP 223 N 3.52 0.39 -3.97 -1.70 8.00 -1.26 -0.59 116.55 120.94 1t21 n ASP 223 Ca -0.19 1.14 -0.22 0.00 0.71 0.00 0.00 54.79 56.23 1t21 n ASP 223 Cb 0.55 -1.07 -0.16 0.00 -0.02 0.00 0.00 41.12 40.41 1t21 n ASP 223 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1t21 s GLN 224 N -0.41 1.30 -0.03 -1.24 0.74 0.11 -4.78 119.66 115.34 1t21 s GLN 224 Ca 0.76 -0.28 0.04 0.00 0.05 0.00 0.00 55.36 55.93 1t21 s GLN 224 Cb -0.98 -1.14 -0.05 0.00 1.10 0.00 0.00 33.01 31.93 1t21 s GLN 224 CO 0.54 -0.02 0.04 0.25 -0.55 0.00 0.00 175.29 175.56 1t21 n THR 225 N 3.89 0.19 -1.94 -0.34 -2.24 -1.26 -4.32 114.28 108.25 1t21 n THR 225 Ca -0.24 -0.15 -0.34 0.00 -2.27 0.00 0.00 64.05 61.05 1t21 n THR 225 Cb 0.51 -0.49 0.03 0.00 -2.10 0.00 0.00 70.33 68.29 1t21 n THR 225 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1t21 s GLN 226 N -2.16 2.96 -1.66 -0.78 -0.21 -1.26 -2.88 119.66 113.67 1t21 s GLN 226 Ca -0.02 1.57 0.00 0.00 0.02 0.00 0.00 55.36 56.93 1t21 s GLN 226 Cb 0.02 -1.96 0.00 0.00 1.00 0.00 0.00 33.01 32.07 1t21 s GLN 226 CO 0.17 -1.16 0.00 -0.25 -2.12 0.00 0.00 175.29 171.93 1t21 n ASP 227 N -1.92 -4.67 -4.63 5.90 8.00 -1.26 -4.91 116.55 113.06 1t21 n ASP 227 Ca 0.12 0.28 -0.26 0.00 0.71 0.00 0.00 54.79 55.64 1t21 n ASP 227 Cb 0.51 -4.10 -0.10 0.00 -0.02 0.00 0.00 41.12 37.42 1t21 n ASP 227 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1t21 s THR 228 N -2.60 2.28 -0.18 -3.53 -4.23 -1.14 -1.60 115.64 104.63 1t21 s THR 228 Ca 0.00 -1.98 -0.10 0.00 -1.18 0.00 0.00 61.69 58.43 1t21 s THR 228 Cb 0.00 -2.87 0.07 0.00 1.34 0.00 0.00 72.50 71.04 1t21 s THR 228 CO 0.00 -0.10 0.44 -0.70 -0.54 0.00 0.00 174.62 173.72 1t21 s GLU 229 N -3.73 0.41 -0.12 3.99 2.12 0.68 -4.96 118.70 117.10 1t21 s GLU 229 Ca 0.36 0.87 0.01 0.00 0.36 0.00 0.00 54.97 56.56 1t21 s GLU 229 Cb 0.05 0.04 0.02 0.00 0.26 0.00 0.00 34.13 34.50 1t21 s GLU 229 CO 0.19 -0.17 -0.12 -0.48 -0.54 0.00 0.00 175.26 174.14 1t21 s LEU 230 N 1.60 1.50 0.58 2.70 2.34 -1.26 0.56 118.68 126.70 1t21 s LEU 230 Ca -0.09 -0.39 -0.11 0.00 0.06 0.00 0.00 54.13 53.60 1t21 s LEU 230 Cb -0.09 -1.00 -0.05 0.00 -0.56 0.00 0.00 46.19 44.49 1t21 s LEU 230 CO -0.13 -0.06 0.99 0.68 -1.06 0.00 0.00 176.35 176.77 1t21 s VAL 231 N 1.39 4.70 0.41 1.48 -7.23 -1.01 -5.02 120.40 115.13 1t21 s VAL 231 Ca 0.01 0.86 -0.25 0.00 -1.81 0.00 0.00 61.98 60.80 1t21 s VAL 231 Cb -0.13 -3.84 -0.08 0.00 0.56 0.00 0.00 36.38 32.89 1t21 s VAL 231 CO -0.07 -1.02 1.16 -1.61 -0.31 0.00 0.00 175.10 173.26 1t21 s GLU 232 N -4.89 3.99 0.27 4.82 0.41 -1.26 -4.58 118.70 117.45 1t21 s GLU 232 Ca 0.55 1.80 -0.31 0.00 -0.41 0.00 0.00 54.97 56.60 1t21 s GLU 232 Cb -0.11 -2.60 -0.12 0.00 -1.78 0.00 0.00 34.13 29.52 1t21 s GLU 232 CO 0.48 -0.36 1.54 2.41 -0.49 0.00 0.00 175.26 178.84 1t21 n THR 233 N -0.08 0.95 -4.18 3.63 -1.04 -1.26 -4.85 114.28 107.45 1t21 n THR 233 Ca 0.05 -0.24 -0.18 0.00 -2.04 0.00 0.00 64.05 61.64 1t21 n THR 233 Cb 0.47 -1.80 -0.12 0.00 -1.82 0.00 0.00 70.33 67.07 1t21 n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1t21 s ARG 234 N -0.39 0.84 0.19 -2.82 1.70 -0.45 -4.97 118.95 113.05 1t21 s ARG 234 Ca 0.66 -0.99 -0.30 0.00 -0.47 0.00 0.00 55.73 54.63 1t21 s ARG 234 Cb -0.55 -0.81 -0.08 0.00 -0.57 0.00 0.00 34.95 32.94 1t21 s ARG 234 CO 0.48 0.17 1.07 -1.25 -1.08 0.00 0.00 175.30 174.70 1t21 s PRO 235 N -1.90 4.63 0.35 3.89 0.04 -1.26 -0.46 135.00 140.29 1t21 s PRO 235 Ca -0.01 1.68 0.19 0.00 0.04 0.00 0.00 61.00 62.90 1t21 s PRO 235 Cb -0.09 -3.28 0.48 0.00 0.04 0.00 0.00 34.50 31.65 1t21 s PRO 235 CO 0.02 0.14 1.63 0.00 0.04 0.00 0.00 177.00 178.83 1t21 h ALA 236 N 4.96 0.87 0.00 8.56 0.00 -1.02 -3.46 119.26 129.16 1t21 h ALA 236 Ca -0.44 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.11 1t21 h ALA 236 Cb 1.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1t21 h ALA 236 CO 0.71 0.48 0.00 0.41 0.00 0.00 0.00 179.25 180.86 1t21 n GLY 237 N 0.64 1.40 0.94 0.00 0.00 -1.26 -4.91 105.19 102.00 1t21 n GLY 237 Ca 0.01 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.09 1t21 n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1t21 n ASP 238 N 0.00 3.62 0.00 1.61 5.68 -1.26 -4.93 116.55 121.27 1t21 n ASP 238 Ca 0.00 -3.15 0.00 0.00 -0.50 0.00 0.00 54.79 51.14 1t21 n ASP 238 Cb 0.00 -0.56 0.00 0.00 -1.14 0.00 0.00 41.12 39.42 1t21 n ASP 238 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1t21 n GLY 239 N -0.65 2.61 4.02 6.12 0.00 -1.26 -5.06 105.19 110.97 1t21 n GLY 239 Ca 0.24 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.06 1t21 n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1t21 s THR 240 N -2.50 2.15 0.31 2.61 -4.23 -1.26 -4.93 115.64 107.78 1t21 s THR 240 Ca 0.00 -1.05 0.06 0.00 -1.18 0.00 0.00 61.69 59.53 1t21 s THR 240 Cb 0.00 -2.19 -0.06 0.00 1.34 0.00 0.00 72.50 71.59 1t21 s THR 240 CO 0.00 0.00 -0.03 -0.36 -0.54 0.00 0.00 174.62 173.69 1t21 s PHE 241 N -2.66 2.06 0.06 3.99 0.08 0.20 -0.39 117.98 121.32 1t21 s PHE 241 Ca 0.59 -0.73 0.01 0.00 0.12 0.00 0.00 56.93 56.91 1t21 s PHE 241 Cb -0.06 -1.25 -0.03 0.00 -0.57 0.00 0.00 43.02 41.11 1t21 s PHE 241 CO 0.37 0.27 -0.05 -0.65 -0.10 0.00 0.00 175.22 175.06 1t21 s GLN 242 N -3.75 0.63 -0.08 0.44 -0.21 0.39 -1.86 119.66 115.21 1t21 s GLN 242 Ca 0.32 -1.09 -0.30 0.00 0.02 0.00 0.00 55.36 54.31 1t21 s GLN 242 Cb 0.05 -0.05 0.11 0.00 1.00 0.00 0.00 33.01 34.13 1t21 s GLN 242 CO 0.14 -0.04 0.94 0.21 -2.12 0.00 0.00 175.29 174.42 1t21 s LYS 243 N -3.10 0.71 0.07 2.91 2.20 -0.84 -1.34 119.74 120.36 1t21 s LYS 243 Ca 0.02 -0.06 -0.13 0.00 -0.36 0.00 0.00 55.97 55.44 1t21 s LYS 243 Cb 0.01 0.33 0.02 0.00 -1.51 0.00 0.00 37.83 36.68 1t21 s LYS 243 CO -0.05 -0.27 0.31 1.67 -0.36 0.00 0.00 175.35 176.65 1t21 s TRP 244 N -2.06 -0.08 -0.02 4.03 1.48 -1.26 -1.22 118.94 119.81 1t21 s TRP 244 Ca 0.01 -0.15 0.01 0.00 -1.06 0.00 0.00 56.10 54.92 1t21 s TRP 244 Cb -0.01 0.10 0.01 0.00 -1.16 0.00 0.00 33.47 32.41 1t21 s TRP 244 CO -0.03 -0.56 -0.04 0.00 -4.06 0.00 0.00 176.95 172.26 1t21 s ALA 245 N -3.07 0.49 0.19 2.67 0.00 -0.46 -2.40 121.76 119.18 1t21 s ALA 245 Ca -0.01 -0.12 0.09 0.00 0.00 0.00 0.00 51.96 51.92 1t21 s ALA 245 Cb 0.01 -0.23 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 1t21 s ALA 245 CO -0.07 0.05 -0.19 0.00 0.00 0.00 0.00 175.76 175.56 1t21 s ALA 246 N 0.33 2.15 -0.04 0.00 0.00 0.19 0.11 121.76 124.50 1t21 s ALA 246 Ca -0.04 -1.57 -0.06 0.00 0.00 0.00 0.00 51.96 50.29 1t21 s ALA 246 Cb -0.07 -0.20 0.01 0.00 0.00 0.00 0.00 23.12 22.86 1t21 s ALA 246 CO -0.00 0.24 0.15 0.54 0.00 0.00 0.00 175.76 176.68 1t21 s VAL 247 N -2.18 0.02 -0.16 0.00 0.11 -0.43 -0.23 120.40 117.53 1t21 s VAL 247 Ca 0.19 -0.19 -0.12 0.00 -2.93 0.00 0.00 61.98 58.93 1t21 s VAL 247 Cb -0.05 -0.27 -0.05 0.00 -1.53 0.00 0.00 36.38 34.48 1t21 s VAL 247 CO 0.08 -0.10 0.24 -0.69 -3.33 0.00 0.00 175.10 171.30 1t21 s VAL 248 N -0.30 5.34 0.13 2.04 1.01 -0.63 -1.16 120.40 126.83 1t21 s VAL 248 Ca -0.04 0.44 0.02 0.00 0.00 0.00 0.00 61.98 62.40 1t21 s VAL 248 Cb -0.03 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 1t21 s VAL 248 CO 0.01 0.42 -0.04 0.68 0.00 0.00 0.00 175.10 176.16 1t21 s VAL 249 N 0.30 0.74 0.07 2.92 -7.23 0.14 -4.96 120.40 112.37 1t21 s VAL 249 Ca 0.14 -1.97 -0.31 0.00 -1.81 0.00 0.00 61.98 58.04 1t21 s VAL 249 Cb -0.12 -1.87 -0.07 0.00 0.56 0.00 0.00 36.38 34.88 1t21 s VAL 249 CO 0.03 -0.71 1.35 -2.84 -0.31 0.00 0.00 175.10 172.62 1t21 s PRO 250 N -3.86 4.34 0.20 4.82 0.02 -1.26 -1.28 135.00 137.98 1t21 s PRO 250 Ca 0.17 1.97 -0.32 0.00 0.02 0.00 0.00 61.00 62.84 1t21 s PRO 250 Cb 0.05 -3.36 -0.14 0.00 0.02 0.00 0.00 34.50 31.07 1t21 s PRO 250 CO -0.01 -0.43 1.40 0.43 -0.33 0.00 0.00 177.00 178.06 1t21 n SER 251 N 4.34 2.50 0.00 2.53 7.64 -0.22 -1.11 113.62 129.29 1t21 n SER 251 Ca 0.11 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.12 1t21 n SER 251 Cb 0.44 -1.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.26 1t21 n SER 251 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1t21 n GLY 252 N 2.43 1.43 0.74 0.23 0.00 -1.26 -4.89 105.19 103.87 1t21 n GLY 252 Ca 0.14 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.22 1t21 n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1t21 n GLN 253 N -2.00 2.90 -0.34 1.61 1.13 -0.27 -4.72 117.38 115.70 1t21 n GLN 253 Ca 0.00 -2.21 0.21 0.00 -1.94 0.00 0.00 57.00 53.06 1t21 n GLN 253 Cb 0.00 -1.37 0.46 0.00 0.11 0.00 0.00 30.24 29.43 1t21 n GLN 253 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 1t21 h GLU 254 N 2.19 0.46 -0.04 -1.09 3.07 -1.91 -1.93 114.58 115.33 1t21 h GLU 254 Ca 0.00 -0.03 0.01 0.00 -0.50 0.00 0.00 59.36 58.84 1t21 h GLU 254 Cb 0.85 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 28.66 1t21 h GLU 254 CO 0.03 0.30 0.10 1.96 -1.40 0.00 0.00 179.01 180.01 1t21 h GLN 255 N 0.47 0.00 0.00 2.33 1.08 -1.84 -1.69 115.11 115.45 1t21 h GLN 255 Ca 0.63 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.83 1t21 h GLN 255 Cb 1.42 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.85 1t21 h GLN 255 CO -0.39 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 177.49 1t21 h ARG 256 N 0.00 0.00 -5.53 1.46 3.08 -1.74 -3.45 114.38 108.21 1t21 h ARG 256 Ca 0.02 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.44 1t21 h ARG 256 Cb 0.23 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.19 1t21 h ARG 256 CO -0.00 0.00 -0.44 0.71 -1.07 0.00 0.00 179.97 179.17 1t21 s TYR 257 N -3.31 3.53 -0.00 3.04 1.51 -0.64 -0.48 117.35 121.00 1t21 s TYR 257 Ca 0.06 0.51 0.04 0.00 -1.01 0.00 0.00 57.07 56.66 1t21 s TYR 257 Cb 0.09 -2.09 -0.01 0.00 -0.11 0.00 0.00 41.96 39.84 1t21 s TYR 257 CO 0.53 0.52 -0.13 0.95 -1.11 0.00 0.00 175.55 176.32 1t21 s THR 258 N -0.38 0.99 -0.18 -0.71 -4.23 -0.40 -4.31 115.64 106.42 1t21 s THR 258 Ca 0.13 -0.58 -0.07 0.00 -1.18 0.00 0.00 61.69 60.00 1t21 s THR 258 Cb -0.12 -0.83 -0.04 0.00 1.34 0.00 0.00 72.50 72.84 1t21 s THR 258 CO 0.03 0.25 0.06 0.00 -0.54 0.00 0.00 174.62 174.41 1t21 s HIS 260 N 0.28 2.95 -0.21 0.00 3.76 0.13 -0.80 115.29 121.41 1t21 s HIS 260 Ca 0.03 -0.57 -0.00 0.00 -0.15 0.00 0.00 55.06 54.37 1t21 s HIS 260 Cb -0.12 -1.98 0.02 0.00 1.11 0.00 0.00 32.58 31.61 1t21 s HIS 260 CO 0.00 -0.24 -0.14 0.08 -0.85 0.00 0.00 174.74 173.60 1t21 s VAL 261 N 0.72 2.45 -0.10 -0.90 1.01 -0.17 -1.17 120.40 122.24 1t21 s VAL 261 Ca -0.03 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.03 1t21 s VAL 261 Cb -0.15 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.09 1t21 s VAL 261 CO 0.02 0.41 -0.14 -1.10 0.00 0.00 0.00 175.10 174.28 1t21 s GLN 262 N 1.31 3.07 -0.20 2.72 -0.21 -0.40 -1.07 119.66 124.88 1t21 s GLN 262 Ca 0.03 -0.70 -0.27 0.00 0.02 0.00 0.00 55.36 54.43 1t21 s GLN 262 Cb -0.15 -2.52 0.08 0.00 1.00 0.00 0.00 33.01 31.43 1t21 s GLN 262 CO -0.09 0.35 0.78 -1.58 -2.12 0.00 0.00 175.29 172.63 1t21 s HIS 263 N -0.01 -0.66 0.57 0.91 2.46 -1.26 -1.68 115.29 115.62 1t21 s HIS 263 Ca -0.04 1.44 0.28 0.00 0.47 0.00 0.00 55.06 57.22 1t21 s HIS 263 Cb -0.14 0.34 1.49 0.00 -0.13 0.00 0.00 32.58 34.14 1t21 s HIS 263 CO 0.04 -0.42 1.95 1.49 -2.47 0.00 0.00 174.74 175.34 1t21 h GLU 264 N 4.04 0.00 -0.00 2.88 4.81 -1.94 -0.31 114.58 124.06 1t21 h GLU 264 Ca -0.27 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 1t21 h GLU 264 Cb 1.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1t21 h GLU 264 CO 0.19 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.88 1t21 n GLY 265 N -1.54 -0.85 3.34 1.92 0.00 -1.26 -4.73 105.19 102.06 1t21 n GLY 265 Ca 0.09 -0.23 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 1t21 n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1t21 s LEU 266 N -1.97 3.39 0.35 0.99 1.43 -0.13 -4.54 118.68 118.20 1t21 s LEU 266 Ca 0.45 -0.53 0.12 0.00 -1.03 0.00 0.00 54.13 53.14 1t21 s LEU 266 Cb 0.21 -1.82 0.91 0.00 0.03 0.00 0.00 46.19 45.52 1t21 s LEU 266 CO 0.36 -0.10 1.78 -0.65 0.23 0.00 0.00 176.35 177.97 1t21 h PRO 267 N 8.17 0.57 -3.64 1.29 0.11 -1.85 -3.42 132.00 133.24 1t21 h PRO 267 Ca -0.36 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.58 1t21 h PRO 267 Cb 1.14 -0.13 -0.19 0.00 0.11 0.00 0.00 31.00 31.94 1t21 h PRO 267 CO 0.59 0.38 -0.49 -1.59 -0.21 0.00 0.00 178.00 176.68 1t21 s LYS 268 N -5.68 0.55 0.48 1.05 -2.85 -1.26 -5.14 119.74 106.89 1t21 s LYS 268 Ca -0.10 -0.57 -0.23 0.00 -1.00 0.00 0.00 55.97 54.07 1t21 s LYS 268 Cb 0.25 0.22 -0.08 0.00 -2.06 0.00 0.00 37.83 36.16 1t21 s LYS 268 CO 0.80 -0.14 1.23 -0.35 0.10 0.00 0.00 175.35 176.99 1t21 n PRO 269 N 1.09 1.68 -3.32 1.78 -0.04 -1.26 -4.97 135.00 129.96 1t21 n PRO 269 Ca -0.21 0.61 -0.31 0.00 -0.04 0.00 0.00 63.50 63.55 1t21 n PRO 269 Cb 0.57 -2.38 -0.05 0.00 -0.04 0.00 0.00 33.50 31.60 1t21 n PRO 269 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1t21 s LEU 270 N -2.14 4.11 -0.10 1.53 1.43 -0.24 -4.89 118.68 118.38 1t21 s LEU 270 Ca 0.66 0.94 0.00 0.00 -1.03 0.00 0.00 54.13 54.70 1t21 s LEU 270 Cb -0.47 -3.73 0.02 0.00 0.03 0.00 0.00 46.19 42.04 1t21 s LEU 270 CO 0.54 -0.14 -0.09 -0.89 0.23 0.00 0.00 176.35 176.01 1t21 s THR 271 N -1.93 1.03 0.00 5.49 2.01 -1.26 -1.00 115.64 119.98 1t21 s THR 271 Ca 0.48 -0.32 0.05 0.00 0.31 0.00 0.00 61.69 62.20 1t21 s THR 271 Cb -0.11 -1.02 -0.03 0.00 0.01 0.00 0.00 72.50 71.35 1t21 s THR 271 CO 0.23 0.36 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.63 1t21 s LEU 272 N 1.42 2.84 -0.01 4.42 1.02 0.02 -4.94 118.68 123.46 1t21 s LEU 272 Ca -0.00 -0.27 0.00 0.00 0.02 0.00 0.00 54.13 53.88 1t21 s LEU 272 Cb -0.13 -1.63 0.01 0.00 0.02 0.00 0.00 46.19 44.45 1t21 s LEU 272 CO -0.05 0.29 0.01 -0.60 0.02 0.00 0.00 176.35 176.02 1t21 s ARG 273 N -1.25 0.01 0.39 1.70 3.52 -1.26 -0.17 118.95 121.88 1t21 s ARG 273 Ca 0.15 0.04 -0.27 0.00 -0.13 0.00 0.00 55.73 55.52 1t21 s ARG 273 Cb -0.11 -0.09 -0.09 0.00 -1.56 0.00 0.00 34.95 33.10 1t21 s ARG 273 CO 0.05 -0.04 1.36 -0.46 -0.81 0.00 0.00 175.30 175.40 1t21 s TRP 274 N 0.29 2.77 0.00 5.12 -0.11 -1.26 -5.05 118.94 120.70 1t21 s TRP 274 Ca -0.02 1.34 0.00 0.00 1.22 0.00 0.00 56.10 58.63 1t21 s TRP 274 Cb -0.04 -3.78 0.00 0.00 -1.50 0.00 0.00 33.47 28.15 1t21 s TRP 274 CO -0.01 -2.35 0.00 0.39 -4.62 0.00 0.00 176.95 170.36