#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qu1 s ILE -1 N 0.00 2.54 0.00 0.00 2.07 -1.26 -5.19 121.20 119.36 2qu1 s ILE -1 Ca 0.00 0.48 0.00 0.00 -1.41 0.00 0.00 60.65 59.72 2qu1 s ILE -1 Cb 0.00 -3.28 0.00 0.00 0.13 0.00 0.00 42.46 39.31 2qu1 s ILE -1 CO 0.00 0.07 0.00 0.00 -1.91 0.00 0.00 174.94 173.10 2qu1 n ALA 0 N 0.09 0.00 -1.10 1.50 0.00 -1.26 -5.15 120.51 114.59 2qu1 n ALA 0 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.11 2qu1 n ALA 0 Cb 0.43 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.93 2qu1 n ALA 0 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2qu1 n SER 2 N 0.00 -3.80 -0.29 0.00 3.41 -1.26 -5.10 113.62 106.58 2qu1 n SER 2 Ca 0.00 0.42 -0.01 0.00 -0.26 0.00 0.00 58.87 59.02 2qu1 n SER 2 Cb 0.00 -0.94 0.11 0.00 -0.26 0.00 0.00 64.21 63.12 2qu1 n SER 2 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 2qu1 h LYS 3 N -0.65 0.94 -0.56 4.33 3.64 -1.93 -3.11 116.57 119.23 2qu1 h LYS 3 Ca -0.43 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2qu1 h LYS 3 Cb 1.35 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 32.93 2qu1 h LYS 3 CO 0.34 0.62 0.34 0.78 -2.27 0.00 0.00 179.45 179.26 2qu1 h GLY 4 N 0.97 0.81 -0.22 5.01 0.00 -1.80 -2.82 103.07 105.01 2qu1 h GLY 4 Ca 0.34 -0.32 0.23 0.00 0.00 0.00 0.00 47.33 47.58 2qu1 h GLY 4 CO -0.14 0.31 0.44 -2.09 0.00 0.00 0.00 176.54 175.07 2qu1 h GLU 5 N 0.77 0.41 0.00 4.80 4.81 -1.66 -0.60 114.58 123.12 2qu1 h GLU 5 Ca 0.20 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 2qu1 h GLU 5 Cb -0.03 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.26 2qu1 h GLU 5 CO -0.04 0.27 0.00 0.93 -0.73 0.00 0.00 179.01 179.44 2qu1 h GLU 6 N 0.43 0.00 0.00 1.92 5.08 -1.65 -2.25 114.58 118.11 2qu1 h GLU 6 Ca 0.59 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.95 2qu1 h GLU 6 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 2qu1 h GLU 6 CO -0.53 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 178.76 2qu1 n LEU 7 N -2.98 0.00 -0.01 1.33 4.77 -0.23 -3.74 117.00 116.14 2qu1 n LEU 7 Ca -0.02 0.29 0.01 0.00 -0.03 0.00 0.00 56.01 56.27 2qu1 n LEU 7 Cb 0.14 -0.29 0.01 0.00 -2.33 0.00 0.00 43.42 40.95 2qu1 n LEU 7 CO 0.21 -0.05 0.50 0.49 -1.33 0.00 0.00 177.39 177.21 2qu1 n PHE 8 N -1.29 0.00 0.33 -1.77 3.01 -0.85 -4.72 117.46 112.18 2qu1 n PHE 8 Ca 0.12 -0.52 0.15 0.00 1.01 0.00 0.00 57.45 58.20 2qu1 n PHE 8 Cb 0.21 -0.06 0.55 0.00 -0.01 0.00 0.00 39.48 40.17 2qu1 n PHE 8 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 2qu1 h THR 9 N 0.12 0.00 -3.86 4.37 1.35 -1.71 -3.37 112.91 109.82 2qu1 h THR 9 Ca 0.00 -0.48 -0.05 0.00 -0.55 0.00 0.00 66.41 65.32 2qu1 h THR 9 Cb 0.56 1.40 -0.01 0.00 -1.73 0.00 0.00 68.15 68.37 2qu1 h THR 9 CO 0.00 0.00 -0.04 0.61 -0.25 0.00 0.00 175.52 175.84 2qu1 n GLY 10 N 0.24 4.12 3.72 5.82 0.00 -1.26 -4.78 105.19 113.04 2qu1 n GLY 10 Ca 0.02 -2.15 -0.42 0.00 0.00 0.00 0.00 46.02 43.47 2qu1 n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qu1 s VAL 11 N -1.28 4.04 -0.12 1.61 1.01 -1.26 -4.51 120.40 119.90 2qu1 s VAL 11 Ca 0.00 1.57 0.02 0.00 0.00 0.00 0.00 61.98 63.58 2qu1 s VAL 11 Cb 0.00 -4.00 0.01 0.00 0.00 0.00 0.00 36.38 32.39 2qu1 s VAL 11 CO 0.00 0.18 -0.20 -0.69 0.00 0.00 0.00 175.10 174.39 2qu1 s VAL 12 N 0.56 1.84 0.39 2.92 1.01 -0.26 -4.96 120.40 121.89 2qu1 s VAL 12 Ca 0.55 -0.85 -0.26 0.00 0.00 0.00 0.00 61.98 61.42 2qu1 s VAL 12 Cb -0.29 -1.63 -0.09 0.00 0.00 0.00 0.00 36.38 34.37 2qu1 s VAL 12 CO 0.31 0.51 1.18 -2.16 0.00 0.00 0.00 175.10 174.94 2qu1 s PRO 13 N 0.80 4.09 -0.02 2.72 0.04 -1.26 -0.76 135.00 140.60 2qu1 s PRO 13 Ca -0.09 1.87 0.07 0.00 0.04 0.00 0.00 61.00 62.89 2qu1 s PRO 13 Cb -0.16 -2.72 -0.02 0.00 0.04 0.00 0.00 34.50 31.64 2qu1 s PRO 13 CO 0.00 -0.29 -0.23 0.42 0.04 0.00 0.00 177.00 176.94 2qu1 s ILE 14 N -1.38 1.81 -0.01 0.56 1.01 -0.25 -1.04 121.20 121.90 2qu1 s ILE 14 Ca 0.56 -0.97 0.07 0.00 0.00 0.00 0.00 60.65 60.31 2qu1 s ILE 14 Cb -0.31 -1.51 -0.02 0.00 0.01 0.00 0.00 42.46 40.62 2qu1 s ILE 14 CO 0.40 0.51 -0.23 -0.76 0.00 0.00 0.00 174.94 174.86 2qu1 s LEU 15 N -0.45 2.07 -0.08 2.97 1.43 -0.27 -2.18 118.68 122.16 2qu1 s LEU 15 Ca 0.06 -0.43 0.02 0.00 -1.03 0.00 0.00 54.13 52.76 2qu1 s LEU 15 Cb -0.10 -1.15 0.01 0.00 0.03 0.00 0.00 46.19 44.98 2qu1 s LEU 15 CO -0.00 0.26 -0.15 -0.69 0.23 0.00 0.00 176.35 176.00 2qu1 s VAL 16 N -0.58 1.39 -0.09 -1.59 1.01 -0.26 -0.93 120.40 119.35 2qu1 s VAL 16 Ca 0.09 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.45 2qu1 s VAL 16 Cb -0.09 -1.25 0.02 0.00 0.00 0.00 0.00 36.38 35.06 2qu1 s VAL 16 CO -0.00 0.41 -0.08 -1.61 0.00 0.00 0.00 175.10 173.82 2qu1 s GLU 17 N 0.66 1.47 -0.07 2.72 0.41 -0.18 0.28 118.70 124.00 2qu1 s GLU 17 Ca -0.14 -0.27 0.03 0.00 -0.41 0.00 0.00 54.97 54.19 2qu1 s GLU 17 Cb -0.16 -1.44 0.00 0.00 -1.78 0.00 0.00 34.13 30.75 2qu1 s GLU 17 CO 0.04 -0.17 -0.17 -1.17 -0.49 0.00 0.00 175.26 173.30 2qu1 s LEU 18 N 1.36 1.85 -0.14 1.80 0.20 -0.39 -0.40 118.68 122.96 2qu1 s LEU 18 Ca -0.02 -0.39 -0.01 0.00 0.69 0.00 0.00 54.13 54.40 2qu1 s LEU 18 Cb -0.14 -1.04 -0.02 0.00 -0.43 0.00 0.00 46.19 44.57 2qu1 s LEU 18 CO -0.04 0.11 -0.11 -1.81 -0.29 0.00 0.00 176.35 174.21 2qu1 s ASP 19 N 0.39 4.13 0.13 3.68 -0.00 -0.52 -1.15 116.67 123.32 2qu1 s ASP 19 Ca -0.13 -0.31 0.06 0.00 -0.00 0.00 0.00 52.55 52.17 2qu1 s ASP 19 Cb -0.15 -1.65 -0.04 0.00 -0.00 0.00 0.00 42.92 41.08 2qu1 s ASP 19 CO 0.05 0.14 -0.13 -0.83 -0.00 0.00 0.00 175.17 174.40 2qu1 s GLY 20 N 0.49 1.09 -0.17 0.21 0.00 -0.19 -0.73 107.32 108.02 2qu1 s GLY 20 Ca -0.08 -1.34 -0.04 0.00 0.00 0.00 0.00 44.72 43.26 2qu1 s GLY 20 CO 0.04 -1.40 0.19 -0.35 0.00 0.00 0.00 173.10 171.58 2qu1 s ASP 21 N -2.60 1.34 -0.25 1.64 -1.08 -0.66 -1.36 116.67 113.71 2qu1 s ASP 21 Ca 0.11 -0.13 -0.00 0.00 -0.52 0.00 0.00 52.55 52.00 2qu1 s ASP 21 Cb -0.04 0.29 0.04 0.00 -1.46 0.00 0.00 42.92 41.76 2qu1 s ASP 21 CO 0.03 -0.31 -0.09 -0.69 0.52 0.00 0.00 175.17 174.63 2qu1 s VAL 22 N 2.30 2.58 -1.40 1.11 1.01 0.22 -0.12 120.40 126.10 2qu1 s VAL 22 Ca 0.05 -1.22 -0.08 0.00 0.00 0.00 0.00 61.98 60.73 2qu1 s VAL 22 Cb -0.15 -2.36 0.05 0.00 0.00 0.00 0.00 36.38 33.92 2qu1 s VAL 22 CO -0.10 0.15 0.58 0.59 0.00 0.00 0.00 175.10 176.31 2qu1 n ASN 23 N 4.59 -4.71 0.00 3.32 4.13 -0.21 -0.66 115.26 121.72 2qu1 n ASN 23 Ca -0.16 -0.38 0.00 0.00 1.68 0.00 0.00 54.58 55.72 2qu1 n ASN 23 Cb 0.46 -3.84 0.00 0.00 -1.54 0.00 0.00 39.78 34.86 2qu1 n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2qu1 n GLY 24 N -1.35 1.98 3.59 7.41 0.00 -1.26 -5.00 105.19 110.55 2qu1 n GLY 24 Ca -0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 2qu1 n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qu1 s HIS 25 N -3.01 2.90 0.01 1.61 3.76 0.17 -5.03 115.29 115.70 2qu1 s HIS 25 Ca 0.00 0.66 -0.07 0.00 -0.15 0.00 0.00 55.06 55.50 2qu1 s HIS 25 Cb 0.00 -4.16 -0.05 0.00 1.11 0.00 0.00 32.58 29.48 2qu1 s HIS 25 CO 0.00 -1.14 0.28 0.15 -0.85 0.00 0.00 174.74 173.18 2qu1 s LYS 26 N 4.08 3.60 0.18 1.40 1.02 -1.26 -0.61 119.74 128.16 2qu1 s LYS 26 Ca 0.43 -0.04 -0.22 0.00 0.02 0.00 0.00 55.97 56.16 2qu1 s LYS 26 Cb -0.09 -3.08 0.06 0.00 -0.52 0.00 0.00 37.83 34.20 2qu1 s LYS 26 CO 0.27 0.65 0.61 -0.59 -0.92 0.00 0.00 175.35 175.37 2qu1 s PHE 27 N -1.29 -0.43 0.01 3.18 -0.71 -0.46 -4.96 117.98 113.32 2qu1 s PHE 27 Ca 0.27 0.15 0.02 0.00 -1.04 0.00 0.00 56.93 56.34 2qu1 s PHE 27 Cb -0.13 0.56 -0.01 0.00 -1.21 0.00 0.00 43.02 42.23 2qu1 s PHE 27 CO 0.16 -0.92 -0.07 -1.12 -1.34 0.00 0.00 175.22 171.93 2qu1 s SER 28 N -2.79 0.77 -0.05 1.98 0.01 -1.26 -1.02 113.70 111.33 2qu1 s SER 28 Ca 0.04 -0.28 0.04 0.00 1.31 0.00 0.00 55.95 57.05 2qu1 s SER 28 Cb -0.02 -0.03 -0.00 0.00 0.21 0.00 0.00 66.02 66.18 2qu1 s SER 28 CO -0.08 -0.04 -0.17 -0.69 0.41 0.00 0.00 173.24 172.67 2qu1 s VAL 29 N -0.63 1.43 -0.07 3.43 1.01 -0.30 -1.65 120.40 123.62 2qu1 s VAL 29 Ca -0.02 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.30 2qu1 s VAL 29 Cb -0.05 -1.24 -0.02 0.00 0.00 0.00 0.00 36.38 35.07 2qu1 s VAL 29 CO 0.00 0.41 -0.19 -0.44 0.00 0.00 0.00 175.10 174.89 2qu1 s SER 30 N 0.17 3.61 0.01 3.32 0.01 -0.03 -1.26 113.70 119.54 2qu1 s SER 30 Ca -0.07 -0.36 0.05 0.00 1.31 0.00 0.00 55.95 56.88 2qu1 s SER 30 Cb -0.13 -1.00 -0.02 0.00 0.21 0.00 0.00 66.02 65.08 2qu1 s SER 30 CO 0.03 0.26 -0.15 -0.83 0.41 0.00 0.00 173.24 172.96 2qu1 s GLY 31 N -0.26 0.78 0.02 3.44 0.00 0.14 -0.29 107.32 111.16 2qu1 s GLY 31 Ca 0.00 -0.74 0.03 0.00 0.00 0.00 0.00 44.72 44.01 2qu1 s GLY 31 CO 0.03 -0.67 -0.10 -0.54 0.00 0.00 0.00 173.10 171.82 2qu1 s GLU 32 N -0.72 0.71 0.00 2.90 2.02 -0.69 -1.10 118.70 121.82 2qu1 s GLU 32 Ca 0.04 -0.56 0.00 0.00 0.02 0.00 0.00 54.97 54.48 2qu1 s GLU 32 Cb -0.07 -0.65 0.00 0.00 0.10 0.00 0.00 34.13 33.51 2qu1 s GLU 32 CO 0.00 0.16 0.00 0.41 0.02 0.00 0.00 175.26 175.86 2qu1 n GLY 33 N 2.21 -0.78 3.25 -1.39 0.00 -0.93 -1.08 105.19 106.47 2qu1 n GLY 33 Ca -0.17 -0.32 -0.12 0.00 0.00 0.00 0.00 46.02 45.41 2qu1 n GLY 33 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qu1 s GLU 34 N -0.30 0.75 0.06 1.61 2.02 -0.34 -1.09 118.70 121.42 2qu1 s GLU 34 Ca 0.00 -0.39 0.06 0.00 0.02 0.00 0.00 54.97 54.66 2qu1 s GLU 34 Cb 0.00 0.33 -0.03 0.00 0.10 0.00 0.00 34.13 34.53 2qu1 s GLU 34 CO 0.00 -0.23 -0.17 0.20 0.02 0.00 0.00 175.26 175.08 2qu1 s GLY 35 N -1.79 1.00 -0.38 -1.39 0.00 0.06 -1.50 107.32 103.32 2qu1 s GLY 35 Ca -0.08 -1.03 0.00 0.00 0.00 0.00 0.00 44.72 43.61 2qu1 s GLY 35 CO -0.00 -1.01 0.20 -0.35 0.00 0.00 0.00 173.10 171.94 2qu1 s ASP 36 N -1.49 3.36 0.52 1.64 -1.08 0.61 -1.11 116.67 119.12 2qu1 s ASP 36 Ca 0.03 -2.23 0.24 0.00 -0.52 0.00 0.00 52.55 50.07 2qu1 s ASP 36 Cb -0.09 -0.67 1.42 0.00 -1.46 0.00 0.00 42.92 42.11 2qu1 s ASP 36 CO 0.02 -0.31 2.09 0.00 0.52 0.00 0.00 175.17 177.49 2qu1 h ALA 37 N 7.11 1.45 -0.65 3.66 0.00 -1.74 -1.12 119.26 127.96 2qu1 h ALA 37 Ca -0.00 -0.10 0.17 0.00 0.00 0.00 0.00 54.91 54.98 2qu1 h ALA 37 Cb 0.96 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 2qu1 h ALA 37 CO 0.37 0.13 0.46 1.15 0.00 0.00 0.00 179.25 181.37 2qu1 h THR 38 N 0.00 0.72 -0.15 0.00 2.02 -1.87 -1.34 112.91 112.28 2qu1 h THR 38 Ca -0.00 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.14 2qu1 h THR 38 Cb 0.26 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 2qu1 h THR 38 CO 0.01 0.02 0.00 -1.22 0.37 0.00 0.00 175.52 174.70 2qu1 n TYR 39 N -4.39 0.22 -2.64 3.16 4.01 -0.52 -4.96 117.16 112.05 2qu1 n TYR 39 Ca 0.13 -0.52 -0.18 0.00 -0.16 0.00 0.00 57.90 57.16 2qu1 n TYR 39 Cb 0.65 -0.05 0.00 0.00 -0.31 0.00 0.00 39.34 39.63 2qu1 n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2qu1 n GLY 40 N -0.10 -0.50 3.49 2.72 0.00 -0.50 -4.74 105.19 105.56 2qu1 n GLY 40 Ca 0.06 0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 2qu1 n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qu1 s LYS 41 N -5.27 3.67 -0.06 1.61 2.20 -0.65 -1.00 119.74 120.24 2qu1 s LYS 41 Ca 0.10 -0.51 0.06 0.00 -0.36 0.00 0.00 55.97 55.25 2qu1 s LYS 41 Cb -0.05 -2.98 -0.01 0.00 -1.51 0.00 0.00 37.83 33.29 2qu1 s LYS 41 CO 0.12 0.17 -0.24 -0.51 -0.36 0.00 0.00 175.35 174.54 2qu1 s LEU 42 N 0.55 2.13 -0.09 5.43 1.43 -0.17 -0.28 118.68 127.68 2qu1 s LEU 42 Ca -0.02 -0.49 0.01 0.00 -1.03 0.00 0.00 54.13 52.59 2qu1 s LEU 42 Cb -0.14 -1.39 0.02 0.00 0.03 0.00 0.00 46.19 44.70 2qu1 s LEU 42 CO 0.02 0.24 -0.09 0.42 0.23 0.00 0.00 176.35 177.17 2qu1 s THR 43 N -0.12 1.01 -0.01 5.49 -4.23 -0.57 -1.33 115.64 115.89 2qu1 s THR 43 Ca -0.05 -0.33 -0.08 0.00 -1.18 0.00 0.00 61.69 60.05 2qu1 s THR 43 Cb -0.14 -0.99 0.01 0.00 1.34 0.00 0.00 72.50 72.71 2qu1 s THR 43 CO 0.04 0.35 0.16 -0.76 -0.54 0.00 0.00 174.62 173.87 2qu1 s LEU 44 N 1.28 1.45 -0.11 4.79 1.43 -0.67 -1.19 118.68 125.65 2qu1 s LEU 44 Ca -0.03 -0.10 0.03 0.00 -1.03 0.00 0.00 54.13 53.00 2qu1 s LEU 44 Cb -0.14 0.72 0.01 0.00 0.03 0.00 0.00 46.19 46.81 2qu1 s LEU 44 CO -0.03 -0.33 -0.21 -0.75 0.23 0.00 0.00 176.35 175.25 2qu1 s LYS 45 N -1.16 2.84 -0.06 1.70 2.20 -0.24 -0.72 119.74 124.30 2qu1 s LYS 45 Ca -0.12 -0.80 0.01 0.00 -0.36 0.00 0.00 55.97 54.70 2qu1 s LYS 45 Cb -0.06 -2.23 -0.03 0.00 -1.51 0.00 0.00 37.83 33.99 2qu1 s LYS 45 CO 0.02 0.07 -0.06 -0.06 -0.36 0.00 0.00 175.35 174.96 2qu1 s PHE 46 N 0.61 2.96 -0.06 4.03 0.40 -1.26 -1.71 117.98 122.96 2qu1 s PHE 46 Ca -0.13 0.04 0.04 0.00 -0.60 0.00 0.00 56.93 56.28 2qu1 s PHE 46 Cb -0.17 -1.71 -0.00 0.00 0.51 0.00 0.00 43.02 41.65 2qu1 s PHE 46 CO 0.03 0.36 -0.19 0.42 0.70 0.00 0.00 175.22 176.54 2qu1 s ILE 47 N -0.84 1.58 -0.46 0.64 -1.09 0.60 -4.34 121.20 117.28 2qu1 s ILE 47 Ca 0.13 -0.78 -0.25 0.00 -2.23 0.00 0.00 60.65 57.52 2qu1 s ILE 47 Cb -0.11 -1.37 0.03 0.00 -1.58 0.00 0.00 42.46 39.43 2qu1 s ILE 47 CO 0.02 0.45 0.91 0.00 -1.23 0.00 0.00 174.94 175.09 2qu1 n THR 49 N 6.39 0.00 0.29 0.00 -2.24 -0.66 -3.69 114.28 114.37 2qu1 n THR 49 Ca 0.06 -0.05 0.06 0.00 -2.27 0.00 0.00 64.05 61.85 2qu1 n THR 49 Cb 0.48 -0.21 0.09 0.00 -2.10 0.00 0.00 70.33 68.59 2qu1 n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2qu1 n THR 50 N -1.00 0.31 0.00 4.28 -2.24 -1.26 -4.97 114.28 109.41 2qu1 n THR 50 Ca 0.16 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 2qu1 n THR 50 Cb 0.25 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.50 2qu1 n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qu1 n GLY 51 N 0.67 0.11 3.73 3.38 0.00 -1.24 -4.99 105.19 106.85 2qu1 n GLY 51 Ca 0.09 -1.49 -0.41 0.00 0.00 0.00 0.00 46.02 44.21 2qu1 n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qu1 s LYS 52 N 0.00 4.69 -0.00 1.61 2.20 -1.26 -4.44 119.74 122.54 2qu1 s LYS 52 Ca 0.00 1.53 -0.30 0.00 -0.36 0.00 0.00 55.97 56.83 2qu1 s LYS 52 Cb 0.00 -3.34 -0.05 0.00 -1.51 0.00 0.00 37.83 32.93 2qu1 s LYS 52 CO 0.00 0.21 1.27 -1.17 -0.36 0.00 0.00 175.35 175.30 2qu1 s LEU 53 N -0.22 4.32 0.00 5.43 2.96 -1.26 -4.93 118.68 124.97 2qu1 s LEU 53 Ca 0.47 1.98 0.26 0.00 -0.22 0.00 0.00 54.13 56.62 2qu1 s LEU 53 Cb -0.25 -3.57 1.40 0.00 0.50 0.00 0.00 46.19 44.27 2qu1 s LEU 53 CO 0.31 -0.60 1.92 -0.81 -1.32 0.00 0.00 176.35 175.85 2qu1 n PRO 54 N 4.87 1.21 -4.26 0.98 -0.04 -1.26 -4.80 135.00 131.70 2qu1 n PRO 54 Ca 0.11 -0.32 -0.14 0.00 -0.04 0.00 0.00 63.50 63.11 2qu1 n PRO 54 Cb 0.45 -1.43 -0.10 0.00 -0.04 0.00 0.00 33.50 32.38 2qu1 n PRO 54 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2qu1 s VAL 55 N -1.98 1.00 0.29 0.52 -7.23 -1.26 -4.61 120.40 107.14 2qu1 s VAL 55 Ca 0.39 -2.03 -0.29 0.00 -1.81 0.00 0.00 61.98 58.24 2qu1 s VAL 55 Cb 0.19 -2.01 -0.10 0.00 0.56 0.00 0.00 36.38 35.02 2qu1 s VAL 55 CO 0.31 -0.60 1.33 -2.84 -0.31 0.00 0.00 175.10 172.99 2qu1 s PRO 56 N -3.81 4.35 0.23 4.82 0.02 -1.26 -4.94 135.00 134.40 2qu1 s PRO 56 Ca 0.21 2.20 -0.09 0.00 0.02 0.00 0.00 61.00 63.33 2qu1 s PRO 56 Cb 0.04 -3.10 0.36 0.00 0.02 0.00 0.00 34.50 31.82 2qu1 s PRO 56 CO 0.03 -0.24 1.65 -1.49 -0.33 0.00 0.00 177.00 176.62 2qu1 h TRP 57 N 4.08 -0.06 -1.03 6.54 4.06 -1.95 -1.27 115.95 126.31 2qu1 h TRP 57 Ca -0.48 0.05 0.26 0.00 2.06 0.00 0.00 58.89 60.79 2qu1 h TRP 57 Cb 1.22 0.13 -0.09 0.00 -1.00 0.00 0.00 29.16 29.43 2qu1 h TRP 57 CO 0.58 -0.21 0.67 -1.35 -3.56 0.00 0.00 178.44 174.57 2qu1 h PRO 58 N 0.11 0.37 0.00 0.49 0.11 -1.89 0.71 132.00 131.90 2qu1 h PRO 58 Ca 0.37 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.45 2qu1 h PRO 58 Cb 0.62 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.64 2qu1 h PRO 58 CO -0.60 0.25 0.00 0.25 -0.21 0.00 0.00 178.00 177.68 2qu1 n THR 59 N -4.60 0.99 0.93 -1.15 -2.24 -0.48 -2.37 114.28 105.36 2qu1 n THR 59 Ca 0.25 0.40 0.10 0.00 -2.27 0.00 0.00 64.05 62.53 2qu1 n THR 59 Cb 0.87 -1.33 0.02 0.00 -2.10 0.00 0.00 70.33 67.79 2qu1 n THR 59 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2qu1 n LEU 60 N -2.11 2.20 0.02 3.22 4.77 0.24 -4.64 117.00 120.69 2qu1 n LEU 60 Ca 0.01 -0.83 -0.11 0.00 -0.03 0.00 0.00 56.01 55.05 2qu1 n LEU 60 Cb 0.15 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.18 2qu1 n LEU 60 CO 0.15 0.40 0.85 0.58 -1.33 0.00 0.00 177.39 178.04 2qu1 h VAL 61 N 2.88 0.93 -0.27 4.08 2.07 -1.49 -0.95 116.25 123.50 2qu1 h VAL 61 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 2qu1 h VAL 61 Cb 0.77 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 2qu1 h VAL 61 CO 0.00 0.00 0.14 0.71 0.02 0.00 0.00 177.57 178.44 2qu1 h THR 62 N -0.01 1.09 -0.08 2.57 1.35 -1.82 -2.86 112.91 113.15 2qu1 h THR 62 Ca 0.03 -0.25 -0.16 0.00 -0.55 0.00 0.00 66.41 65.47 2qu1 h THR 62 Cb 0.05 0.74 0.01 0.00 -1.73 0.00 0.00 68.15 67.23 2qu1 h THR 62 CO -0.06 0.10 -0.59 0.74 -0.25 0.00 0.00 175.52 175.47 2qu1 h THR 63 N 0.37 1.36 0.00 6.82 2.02 -1.68 -3.46 112.91 118.34 2qu1 h THR 63 Ca 0.10 -1.92 -0.20 0.00 0.77 0.00 0.00 66.41 65.15 2qu1 h THR 63 Cb 0.03 2.27 -0.03 0.00 -1.74 0.00 0.00 68.15 68.67 2qu1 h THR 63 CO -0.01 0.58 0.51 0.18 0.37 0.00 0.00 175.52 177.14 2qu1 n LEU 64 N -4.17 4.18 0.00 2.58 4.77 -0.43 -5.02 117.00 118.91 2qu1 n LEU 64 Ca -0.09 -2.58 0.00 0.00 -0.03 0.00 0.00 56.01 53.32 2qu1 n LEU 64 Cb 0.65 -1.05 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 2qu1 n LEU 64 CO 0.48 1.05 0.00 1.33 -1.33 0.00 0.00 177.39 178.92 2qu1 n VAL 68 N 2.92 0.00 0.86 4.08 0.24 -1.26 -4.99 118.33 120.17 2qu1 n VAL 68 Ca 0.35 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.74 2qu1 n VAL 68 Cb 0.55 0.00 0.44 0.00 -1.47 0.00 0.00 33.84 33.36 2qu1 n VAL 68 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qu1 n GLN 69 N 0.00 0.30 0.03 7.34 6.02 -1.26 -1.07 117.38 128.74 2qu1 n GLN 69 Ca 0.00 0.10 0.07 0.00 -0.01 0.00 0.00 57.00 57.16 2qu1 n GLN 69 Cb 0.00 -1.50 0.30 0.00 1.02 0.00 0.00 30.24 30.06 2qu1 n GLN 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2qu1 n PHE 71 N -1.67 0.34 -1.99 0.00 3.72 -0.23 -4.71 117.46 112.91 2qu1 n PHE 71 Ca 0.02 -0.17 -0.38 0.00 -0.05 0.00 0.00 57.45 56.87 2qu1 n PHE 71 Cb 0.14 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.70 2qu1 n PHE 71 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2qu1 s SER 72 N -1.47 5.77 -0.43 4.37 0.01 -0.96 -3.96 113.70 117.03 2qu1 s SER 72 Ca 0.34 2.59 -0.25 0.00 1.31 0.00 0.00 55.95 59.94 2qu1 s SER 72 Cb 0.19 -2.63 0.02 0.00 0.21 0.00 0.00 66.02 63.81 2qu1 s SER 72 CO 0.27 -1.22 0.87 -0.60 0.41 0.00 0.00 173.24 172.98 2qu1 s ARG 73 N -2.71 3.60 -0.25 12.44 3.52 -0.07 -4.73 118.95 130.74 2qu1 s ARG 73 Ca 0.66 0.21 -0.18 0.00 -0.13 0.00 0.00 55.73 56.29 2qu1 s ARG 73 Cb -0.36 -3.89 -0.03 0.00 -1.56 0.00 0.00 34.95 29.12 2qu1 s ARG 73 CO 0.44 -1.09 0.53 0.71 -0.81 0.00 0.00 175.30 175.07 2qu1 s TYR 74 N 3.50 3.28 0.59 5.12 1.51 -1.26 -0.33 117.35 129.77 2qu1 s TYR 74 Ca 0.35 0.67 -0.19 0.00 -1.01 0.00 0.00 57.07 56.89 2qu1 s TYR 74 Cb -0.11 -2.72 -0.05 0.00 -0.11 0.00 0.00 41.96 38.96 2qu1 s TYR 74 CO 0.23 -0.26 0.95 -2.30 -1.11 0.00 0.00 175.55 173.05 2qu1 n PRO 75 N 5.45 0.90 -0.30 -1.71 -0.02 -1.26 -4.73 135.00 133.34 2qu1 n PRO 75 Ca -0.04 0.35 0.13 0.00 -2.02 0.00 0.00 63.50 61.91 2qu1 n PRO 75 Cb 0.50 -2.15 0.29 0.00 -0.02 0.00 0.00 33.50 32.12 2qu1 n PRO 75 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2qu1 h ASP 76 N 0.51 0.12 0.00 2.55 3.58 -2.00 -2.77 116.42 118.40 2qu1 h ASP 76 Ca -0.48 0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.15 2qu1 h ASP 76 Cb 1.36 0.22 0.00 0.00 1.72 0.00 0.00 39.33 42.63 2qu1 h ASP 76 CO 0.51 -0.10 0.00 0.00 -2.88 0.00 0.00 179.24 176.77 2qu1 n HIS 77 N -5.16 0.00 0.00 0.28 1.44 -1.26 -4.70 115.22 105.82 2qu1 n HIS 77 Ca 0.21 -0.43 0.00 0.00 -2.01 0.00 0.00 57.72 55.49 2qu1 n HIS 77 Cb 0.66 -0.32 0.00 0.00 0.12 0.00 0.00 29.99 30.45 2qu1 n HIS 77 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 2qu1 n LYS 79 N 1.46 0.00 0.00 -1.40 5.02 -1.05 -4.98 118.16 117.21 2qu1 n LYS 79 Ca 0.00 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.42 2qu1 n LYS 79 Cb 0.25 -0.57 0.69 0.00 -0.02 0.00 0.00 35.03 35.39 2qu1 n LYS 79 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qu1 n GLN 80 N -2.00 0.53 -0.24 1.97 0.00 -1.26 -3.20 117.38 113.18 2qu1 n GLN 80 Ca 0.00 0.03 0.07 0.00 0.00 0.00 0.00 57.00 57.10 2qu1 n GLN 80 Cb 0.00 -1.50 0.19 0.00 0.00 0.00 0.00 30.24 28.93 2qu1 n GLN 80 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 2qu1 n HIS 81 N -1.18 0.62 -3.13 2.61 8.25 -1.26 -4.64 115.22 116.48 2qu1 n HIS 81 Ca 0.15 -0.53 -0.45 0.00 -0.26 0.00 0.00 57.72 56.63 2qu1 n HIS 81 Cb 0.16 -0.05 -0.02 0.00 1.12 0.00 0.00 29.99 31.21 2qu1 n HIS 81 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2qu1 s ASP 82 N -1.06 6.78 0.16 0.41 -1.08 -1.19 -4.50 116.67 116.19 2qu1 s ASP 82 Ca 0.30 -2.52 -0.15 0.00 -0.52 0.00 0.00 52.55 49.65 2qu1 s ASP 82 Cb 0.16 -2.31 0.03 0.00 -1.46 0.00 0.00 42.92 39.35 2qu1 s ASP 82 CO 0.18 -0.77 1.78 0.15 0.52 0.00 0.00 175.17 177.04 2qu1 h PHE 83 N 8.08 0.63 0.16 -5.34 3.57 -1.91 -3.10 116.94 119.02 2qu1 h PHE 83 Ca 0.15 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.65 2qu1 h PHE 83 Cb 1.01 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.53 2qu1 h PHE 83 CO 1.08 0.45 -0.15 0.74 -2.23 0.00 0.00 178.31 178.20 2qu1 h PHE 84 N 0.62 -0.39 -0.32 0.41 0.04 -1.88 -1.94 116.94 113.48 2qu1 h PHE 84 Ca 0.17 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.87 2qu1 h PHE 84 Cb 0.02 0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.30 2qu1 h PHE 84 CO -0.03 -0.23 -0.11 0.87 -0.60 0.00 0.00 178.31 178.21 2qu1 h LYS 85 N -0.33 0.54 0.00 1.51 1.57 -1.85 -3.15 116.57 114.86 2qu1 h LYS 85 Ca 0.00 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 2qu1 h LYS 85 Cb 0.31 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 2qu1 h LYS 85 CO -0.03 0.65 -0.05 0.66 -0.57 0.00 0.00 179.45 180.10 2qu1 h SER 86 N 0.50 0.00 -0.22 0.86 4.64 -1.28 -3.34 113.55 114.70 2qu1 h SER 86 Ca 0.09 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.19 2qu1 h SER 86 Cb 0.50 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.50 2qu1 h SER 86 CO 0.03 0.05 -0.15 0.00 -0.87 0.00 0.00 176.83 175.89 2qu1 n ALA 87 N -2.19 5.99 0.17 5.18 0.00 -1.02 -4.54 120.51 124.10 2qu1 n ALA 87 Ca -0.02 -1.78 0.07 0.00 0.00 0.00 0.00 53.44 51.71 2qu1 n ALA 87 Cb 0.20 -2.05 0.35 0.00 0.00 0.00 0.00 19.45 17.95 2qu1 n ALA 87 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2qu1 n PRO 89 N 1.95 0.09 -0.11 0.00 -0.04 -1.26 -0.10 135.00 135.53 2qu1 n PRO 89 Ca 0.37 0.57 0.05 0.00 -0.04 0.00 0.00 63.50 64.45 2qu1 n PRO 89 Cb 0.77 -2.11 0.37 0.00 -0.04 0.00 0.00 33.50 32.50 2qu1 n PRO 89 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2qu1 h GLU 90 N 0.00 0.68 0.00 0.54 3.07 -1.94 -2.56 114.58 114.37 2qu1 h GLU 90 Ca 0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 2qu1 h GLU 90 Cb 0.65 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.41 2qu1 h GLU 90 CO 0.00 0.45 0.00 0.41 -1.40 0.00 0.00 179.01 178.47 2qu1 n GLY 91 N -1.46 -3.22 3.15 -3.84 0.00 0.86 -4.60 105.19 96.08 2qu1 n GLY 91 Ca 0.07 -2.09 -0.10 0.00 0.00 0.00 0.00 46.02 43.91 2qu1 n GLY 91 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2qu1 s TYR 92 N -0.57 0.79 -0.10 1.61 -0.85 -0.25 -0.98 117.35 116.99 2qu1 s TYR 92 Ca 0.00 -0.98 -0.18 0.00 -0.52 0.00 0.00 57.07 55.39 2qu1 s TYR 92 Cb 0.00 -0.48 -0.04 0.00 0.38 0.00 0.00 41.96 41.81 2qu1 s TYR 92 CO 0.00 -0.24 0.46 0.08 -1.52 0.00 0.00 175.55 174.34 2qu1 s VAL 93 N -3.73 5.17 -0.14 -3.49 1.01 0.60 -1.27 120.40 118.55 2qu1 s VAL 93 Ca 0.11 0.93 0.02 0.00 0.00 0.00 0.00 61.98 63.04 2qu1 s VAL 93 Cb 0.06 -3.80 0.02 0.00 0.00 0.00 0.00 36.38 32.66 2qu1 s VAL 93 CO -0.06 0.36 -0.19 -1.58 0.00 0.00 0.00 175.10 173.63 2qu1 s GLN 94 N 0.42 2.70 0.04 2.72 0.74 -0.05 -1.32 119.66 124.91 2qu1 s GLN 94 Ca 0.25 -0.73 0.07 0.00 0.05 0.00 0.00 55.36 55.01 2qu1 s GLN 94 Cb -0.15 -2.28 -0.02 0.00 1.10 0.00 0.00 33.01 31.65 2qu1 s GLN 94 CO 0.10 -0.11 -0.21 -1.21 -0.55 0.00 0.00 175.29 173.32 2qu1 s GLU 95 N 1.07 1.41 0.03 1.67 2.02 0.41 -0.45 118.70 124.87 2qu1 s GLU 95 Ca -0.02 -0.92 -0.05 0.00 0.02 0.00 0.00 54.97 54.00 2qu1 s GLU 95 Cb -0.14 -1.51 -0.01 0.00 0.10 0.00 0.00 34.13 32.56 2qu1 s GLU 95 CO -0.06 0.39 0.08 1.03 0.02 0.00 0.00 175.26 176.72 2qu1 s ARG 96 N -1.12 0.56 -0.16 1.61 0.52 -0.89 -0.60 118.95 118.86 2qu1 s ARG 96 Ca 0.07 -0.75 -0.00 0.00 -0.52 0.00 0.00 55.73 54.53 2qu1 s ARG 96 Cb -0.09 0.22 -0.00 0.00 0.52 0.00 0.00 34.95 35.59 2qu1 s ARG 96 CO 0.02 -0.13 -0.13 0.99 0.02 0.00 0.00 175.30 176.06 2qu1 s THR 97 N -2.51 2.81 -0.25 0.02 2.01 -0.57 -1.37 115.64 115.78 2qu1 s THR 97 Ca -0.06 -0.72 -0.03 0.00 0.31 0.00 0.00 61.69 61.20 2qu1 s THR 97 Cb -0.02 -2.20 0.02 0.00 0.01 0.00 0.00 72.50 70.31 2qu1 s THR 97 CO -0.04 0.50 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.73 2qu1 s ILE 98 N 0.87 3.11 -0.35 1.82 1.01 0.48 -1.71 121.20 126.43 2qu1 s ILE 98 Ca -0.04 -0.91 -0.09 0.00 0.00 0.00 0.00 60.65 59.61 2qu1 s ILE 98 Cb -0.15 -2.57 0.03 0.00 0.01 0.00 0.00 42.46 39.78 2qu1 s ILE 98 CO -0.00 0.20 0.16 -0.44 0.00 0.00 0.00 174.94 174.86 2qu1 s SER 99 N 1.37 5.54 -0.21 3.58 0.01 -0.17 -0.62 113.70 123.20 2qu1 s SER 99 Ca 0.01 -0.97 -0.26 0.00 1.31 0.00 0.00 55.95 56.05 2qu1 s SER 99 Cb -0.16 -1.96 -0.01 0.00 0.21 0.00 0.00 66.02 64.10 2qu1 s SER 99 CO -0.03 -0.33 0.87 -0.36 0.41 0.00 0.00 173.24 173.80 2qu1 s PHE 100 N 1.51 3.36 0.18 2.43 0.40 -0.42 -1.17 117.98 124.28 2qu1 s PHE 100 Ca 0.01 1.26 -0.33 0.00 -0.60 0.00 0.00 56.93 57.27 2qu1 s PHE 100 Cb -0.19 -3.08 -0.13 0.00 0.51 0.00 0.00 43.02 40.13 2qu1 s PHE 100 CO 0.05 -0.35 1.58 1.17 0.70 0.00 0.00 175.22 178.37 2qu1 n LYS 101 N 5.74 2.25 -1.74 0.44 4.81 -0.25 -1.04 118.16 128.37 2qu1 n LYS 101 Ca 0.06 0.81 -0.16 0.00 -0.87 0.00 0.00 58.31 58.15 2qu1 n LYS 101 Cb 0.48 -2.58 -0.05 0.00 0.02 0.00 0.00 35.03 32.90 2qu1 n LYS 101 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2qu1 n ASP 102 N 3.29 -4.93 0.00 3.14 2.03 -1.26 -4.82 116.55 114.00 2qu1 n ASP 102 Ca 0.16 0.27 0.00 0.00 0.52 0.00 0.00 54.79 55.74 2qu1 n ASP 102 Cb 0.30 -3.92 0.00 0.00 -0.72 0.00 0.00 41.12 36.78 2qu1 n ASP 102 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2qu1 n ASP 103 N -0.79 0.00 -2.13 1.67 -0.08 -0.21 -4.94 116.55 110.07 2qu1 n ASP 103 Ca -0.17 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.11 2qu1 n ASP 103 Cb 0.57 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.03 2qu1 n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2qu1 n GLY 104 N 0.00 -0.63 3.01 0.27 0.00 -1.15 -4.59 105.19 102.10 2qu1 n GLY 104 Ca 0.00 -1.72 -0.12 0.00 0.00 0.00 0.00 46.02 44.18 2qu1 n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qu1 s ASN 105 N -1.00 0.57 -0.12 1.61 2.20 -0.65 -1.30 114.94 116.25 2qu1 s ASN 105 Ca 0.00 -0.45 -0.08 0.00 -0.94 0.00 0.00 52.86 51.39 2qu1 s ASN 105 Cb 0.00 0.04 -0.04 0.00 -2.00 0.00 0.00 41.25 39.25 2qu1 s ASN 105 CO 0.00 -0.20 0.16 -0.31 -2.94 0.00 0.00 177.10 173.81 2qu1 s TYR 106 N -1.19 3.58 -0.10 1.54 2.02 0.20 -1.75 117.35 121.67 2qu1 s TYR 106 Ca -0.10 0.53 0.02 0.00 -0.37 0.00 0.00 57.07 57.15 2qu1 s TYR 106 Cb -0.09 -1.99 -0.02 0.00 -0.40 0.00 0.00 41.96 39.47 2qu1 s TYR 106 CO -0.00 0.68 -0.15 0.15 -1.57 0.00 0.00 175.55 174.65 2qu1 s LYS 107 N -0.86 3.01 0.02 -0.62 1.02 0.88 -0.39 119.74 122.80 2qu1 s LYS 107 Ca 0.15 -0.73 0.05 0.00 0.02 0.00 0.00 55.97 55.46 2qu1 s LYS 107 Cb -0.12 -2.48 -0.02 0.00 -0.52 0.00 0.00 37.83 34.69 2qu1 s LYS 107 CO 0.04 0.35 -0.15 0.95 -0.92 0.00 0.00 175.35 175.62 2qu1 s THR 108 N -0.03 1.22 -0.06 2.17 -4.23 -0.47 -0.69 115.64 113.54 2qu1 s THR 108 Ca -0.04 -0.91 0.02 0.00 -1.18 0.00 0.00 61.69 59.58 2qu1 s THR 108 Cb -0.14 -1.07 0.02 0.00 1.34 0.00 0.00 72.50 72.65 2qu1 s THR 108 CO 0.04 0.15 -0.08 -0.60 -0.54 0.00 0.00 174.62 173.58 2qu1 s ARG 109 N -0.88 1.29 0.07 3.99 3.52 -0.69 -2.10 118.95 124.14 2qu1 s ARG 109 Ca 0.04 -0.26 0.03 0.00 -0.13 0.00 0.00 55.73 55.41 2qu1 s ARG 109 Cb -0.07 -1.15 -0.03 0.00 -1.56 0.00 0.00 34.95 32.13 2qu1 s ARG 109 CO 0.01 -0.04 -0.09 0.00 -0.81 0.00 0.00 175.30 174.37 2qu1 s ALA 110 N 0.84 0.84 -0.15 6.12 0.00 0.40 -1.25 121.76 128.56 2qu1 s ALA 110 Ca -0.12 -0.97 0.01 0.00 0.00 0.00 0.00 51.96 50.88 2qu1 s ALA 110 Cb -0.15 0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.01 2qu1 s ALA 110 CO 0.01 -0.02 -0.19 -1.21 0.00 0.00 0.00 175.76 174.35 2qu1 s GLU 111 N -2.16 3.11 -0.22 0.00 2.02 -0.29 -0.88 118.70 120.29 2qu1 s GLU 111 Ca -0.03 -0.81 -0.03 0.00 0.02 0.00 0.00 54.97 54.13 2qu1 s GLU 111 Cb -0.06 -2.52 -0.00 0.00 0.10 0.00 0.00 34.13 31.64 2qu1 s GLU 111 CO -0.00 0.00 -0.07 0.08 0.02 0.00 0.00 175.26 175.29 2qu1 s VAL 112 N 0.81 3.16 0.20 2.63 1.01 -0.40 -1.43 120.40 126.38 2qu1 s VAL 112 Ca -0.06 -0.57 -0.23 0.00 0.00 0.00 0.00 61.98 61.11 2qu1 s VAL 112 Cb -0.15 -2.43 0.05 0.00 0.00 0.00 0.00 36.38 33.85 2qu1 s VAL 112 CO -0.01 0.43 0.74 -1.59 0.00 0.00 0.00 175.10 174.68 2qu1 s LYS 113 N 1.45 1.45 0.19 2.72 -2.85 -0.57 -1.09 119.74 121.02 2qu1 s LYS 113 Ca 0.06 -0.72 -0.30 0.00 -1.00 0.00 0.00 55.97 54.01 2qu1 s LYS 113 Cb -0.14 0.55 -0.08 0.00 -2.06 0.00 0.00 37.83 36.10 2qu1 s LYS 113 CO -0.05 -0.65 0.96 -0.06 0.10 0.00 0.00 175.35 175.65 2qu1 s PHE 114 N -3.68 3.90 -0.36 1.78 0.08 -0.97 -0.88 117.98 117.85 2qu1 s PHE 114 Ca 0.08 1.86 0.03 0.00 0.12 0.00 0.00 56.93 59.02 2qu1 s PHE 114 Cb -0.03 -3.03 0.10 0.00 -0.57 0.00 0.00 43.02 39.49 2qu1 s PHE 114 CO -0.01 0.30 0.08 -1.21 -0.10 0.00 0.00 175.22 174.28 2qu1 s GLU 115 N -0.68 1.57 6.88 0.44 0.41 0.18 -4.93 118.70 122.56 2qu1 s GLU 115 Ca 0.44 -1.90 0.00 0.00 -0.41 0.00 0.00 54.97 53.10 2qu1 s GLU 115 Cb -0.25 -3.27 0.00 0.00 -1.78 0.00 0.00 34.13 28.83 2qu1 s GLU 115 CO 0.31 -0.96 0.00 0.41 -0.49 0.00 0.00 175.26 174.53 2qu1 n GLY 116 N 4.26 2.18 1.67 -1.39 0.00 -1.26 -2.28 105.19 108.36 2qu1 n GLY 116 Ca 0.03 -0.39 0.09 0.00 0.00 0.00 0.00 46.02 45.75 2qu1 n GLY 116 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qu1 n ASP 117 N 5.33 5.07 -4.58 1.61 8.00 -1.26 -4.90 116.55 125.81 2qu1 n ASP 117 Ca 0.00 -2.62 -0.34 0.00 0.71 0.00 0.00 54.79 52.54 2qu1 n ASP 117 Cb 0.00 -0.61 -0.11 0.00 -0.02 0.00 0.00 41.12 40.38 2qu1 n ASP 117 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2qu1 s THR 118 N -2.17 4.29 -0.22 -3.53 2.01 -0.97 -4.34 115.64 110.72 2qu1 s THR 118 Ca 0.52 -0.22 -0.22 0.00 0.31 0.00 0.00 61.69 62.08 2qu1 s THR 118 Cb 0.36 -2.89 -0.02 0.00 0.01 0.00 0.00 72.50 69.97 2qu1 s THR 118 CO 0.22 0.50 0.72 -0.22 -0.69 0.00 0.00 174.62 175.15 2qu1 s LEU 119 N 0.13 4.10 -0.11 4.42 1.98 -0.21 -0.65 118.68 128.35 2qu1 s LEU 119 Ca 0.01 0.90 0.02 0.00 -2.89 0.00 0.00 54.13 52.18 2qu1 s LEU 119 Cb -0.13 -3.02 -0.01 0.00 0.66 0.00 0.00 46.19 43.69 2qu1 s LEU 119 CO 0.02 -0.39 -0.17 -0.69 -1.89 0.00 0.00 176.35 173.22 2qu1 s VAL 120 N 2.40 2.68 -0.33 1.68 1.01 -0.06 -1.12 120.40 126.66 2qu1 s VAL 120 Ca 0.31 -0.80 -0.03 0.00 0.00 0.00 0.00 61.98 61.46 2qu1 s VAL 120 Cb -0.16 -2.08 0.06 0.00 0.00 0.00 0.00 36.38 34.20 2qu1 s VAL 120 CO 0.09 0.54 0.07 0.21 0.00 0.00 0.00 175.10 176.02 2qu1 s ASN 121 N 0.22 5.06 -0.20 3.32 2.47 -0.10 -1.52 114.94 124.18 2qu1 s ASN 121 Ca -0.11 -1.44 -0.06 0.00 0.42 0.00 0.00 52.86 51.66 2qu1 s ASN 121 Cb -0.16 -1.77 -0.03 0.00 -1.45 0.00 0.00 41.25 37.84 2qu1 s ASN 121 CO 0.06 -0.34 0.04 -0.13 -3.72 0.00 0.00 177.10 173.00 2qu1 s ARG 122 N 1.25 3.74 -0.02 0.43 0.52 -0.52 -1.01 118.95 123.35 2qu1 s ARG 122 Ca -0.01 -0.46 0.04 0.00 -0.52 0.00 0.00 55.73 54.78 2qu1 s ARG 122 Cb -0.20 -3.17 -0.01 0.00 0.52 0.00 0.00 34.95 32.08 2qu1 s ARG 122 CO -0.01 0.05 -0.13 0.42 0.02 0.00 0.00 175.30 175.65 2qu1 s ILE 123 N 0.93 1.03 -0.13 1.52 1.09 0.47 -1.14 121.20 124.97 2qu1 s ILE 123 Ca 0.03 -0.54 -0.02 0.00 -1.10 0.00 0.00 60.65 59.02 2qu1 s ILE 123 Cb -0.14 -0.88 -0.02 0.00 -1.06 0.00 0.00 42.46 40.36 2qu1 s ILE 123 CO 0.02 0.30 -0.07 -1.61 -0.10 0.00 0.00 174.94 173.48 2qu1 s GLU 124 N -0.16 3.44 -0.07 2.79 2.02 -0.38 -1.44 118.70 124.90 2qu1 s GLU 124 Ca 0.02 -0.57 0.05 0.00 0.02 0.00 0.00 54.97 54.49 2qu1 s GLU 124 Cb -0.07 -2.78 -0.00 0.00 0.10 0.00 0.00 34.13 31.38 2qu1 s GLU 124 CO 0.00 0.31 -0.22 -1.17 0.02 0.00 0.00 175.26 174.20 2qu1 s LEU 125 N 0.14 2.01 -0.12 1.80 0.20 0.09 -1.70 118.68 121.10 2qu1 s LEU 125 Ca -0.03 -0.47 0.00 0.00 0.69 0.00 0.00 54.13 54.32 2qu1 s LEU 125 Cb -0.14 -1.25 0.02 0.00 -0.43 0.00 0.00 46.19 44.39 2qu1 s LEU 125 CO 0.03 0.18 -0.11 -0.75 -0.29 0.00 0.00 176.35 175.41 2qu1 s LYS 126 N 0.09 1.91 -0.13 1.98 2.47 0.13 -1.65 119.74 124.55 2qu1 s LYS 126 Ca -0.09 -0.41 -0.00 0.00 -1.56 0.00 0.00 55.97 53.90 2qu1 s LYS 126 Cb -0.15 -1.81 -0.02 0.00 -1.46 0.00 0.00 37.83 34.40 2qu1 s LYS 126 CO 0.05 -0.22 -0.12 0.20 0.16 0.00 0.00 175.35 175.42 2qu1 s GLY 127 N 1.48 1.56 0.09 5.54 0.00 0.83 -0.08 107.32 116.74 2qu1 s GLY 127 Ca 0.03 -0.88 0.02 0.00 0.00 0.00 0.00 44.72 43.88 2qu1 s GLY 127 CO -0.08 -0.18 -0.06 -0.26 0.00 0.00 0.00 173.10 172.52 2qu1 s ILE 128 N 0.34 0.63 -1.29 0.90 -4.36 -0.71 -1.05 121.20 115.66 2qu1 s ILE 128 Ca -0.10 -1.83 0.00 0.00 -0.26 0.00 0.00 60.65 58.45 2qu1 s ILE 128 Cb -0.16 -1.55 0.00 0.00 1.25 0.00 0.00 42.46 42.00 2qu1 s ILE 128 CO 0.05 -0.84 0.00 0.47 0.24 0.00 0.00 174.94 174.87 2qu1 n ASP 129 N 0.13 -4.42 -4.77 4.36 10.43 -1.26 -1.64 116.55 119.37 2qu1 n ASP 129 Ca -0.13 0.10 -0.38 0.00 2.57 0.00 0.00 54.79 56.95 2qu1 n ASP 129 Cb 0.60 -3.45 -0.06 0.00 1.84 0.00 0.00 41.12 40.05 2qu1 n ASP 129 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 2qu1 s PHE 130 N -2.64 3.63 0.06 1.24 0.40 -1.26 -2.95 117.98 116.46 2qu1 s PHE 130 Ca 0.00 1.76 -0.30 0.00 -0.60 0.00 0.00 56.93 57.79 2qu1 s PHE 130 Cb 0.00 -3.01 -0.05 0.00 0.51 0.00 0.00 43.02 40.47 2qu1 s PHE 130 CO 0.00 -0.01 1.03 0.15 0.70 0.00 0.00 175.22 177.09 2qu1 s LYS 131 N -1.97 4.57 0.36 0.44 1.02 -1.26 -4.92 119.74 117.99 2qu1 s LYS 131 Ca 0.50 1.53 0.13 0.00 0.02 0.00 0.00 55.97 58.15 2qu1 s LYS 131 Cb -0.22 -3.40 0.96 0.00 -0.52 0.00 0.00 37.83 34.66 2qu1 s LYS 131 CO 0.27 -0.02 1.78 0.93 -0.92 0.00 0.00 175.35 177.40 2qu1 h GLU 132 N 6.32 0.51 -0.34 1.68 4.39 -1.97 -1.74 114.58 123.45 2qu1 h GLU 132 Ca -0.42 -0.03 -0.25 0.00 0.34 0.00 0.00 59.36 59.00 2qu1 h GLU 132 Cb 1.22 -0.12 -0.22 0.00 -0.10 0.00 0.00 28.75 29.53 2qu1 h GLU 132 CO 0.75 0.34 -0.70 -3.47 -1.16 0.00 0.00 179.01 174.78 2qu1 n ASP 133 N -4.69 3.03 -2.46 1.42 -0.08 -1.26 -3.79 116.55 108.72 2qu1 n ASP 133 Ca 0.24 -3.65 -0.06 0.00 -1.51 0.00 0.00 54.79 49.81 2qu1 n ASP 133 Cb 0.75 -0.43 0.05 0.00 2.34 0.00 0.00 41.12 43.82 2qu1 n ASP 133 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2qu1 n GLY 134 N -0.83 -1.38 0.24 0.27 0.00 -0.65 -4.75 105.19 98.09 2qu1 n GLY 134 Ca 0.28 -1.65 0.12 0.00 0.00 0.00 0.00 46.02 44.78 2qu1 n GLY 134 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2qu1 h ASN 135 N -0.51 0.00 0.00 1.61 2.35 -1.93 -1.31 115.58 115.78 2qu1 h ASN 135 Ca -0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 2qu1 h ASN 135 Cb 0.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.63 2qu1 h ASN 135 CO 0.07 0.14 0.00 -0.38 -1.65 0.00 0.00 177.43 175.61 2qu1 n ILE 136 N -3.27 0.00 0.27 2.81 -0.00 -1.26 -1.11 119.36 116.79 2qu1 n ILE 136 Ca 0.01 0.44 0.11 0.00 -0.00 0.00 0.00 62.75 63.31 2qu1 n ILE 136 Cb 0.40 -1.34 0.73 0.00 -0.00 0.00 0.00 39.64 39.42 2qu1 n ILE 136 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 2qu1 h LEU 137 N 0.00 0.00 -0.14 1.39 3.38 -1.76 -0.58 115.31 117.60 2qu1 h LEU 137 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qu1 h LEU 137 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2qu1 h LEU 137 CO 0.00 0.08 -0.04 0.61 0.09 0.00 0.00 178.44 179.18 2qu1 n GLY 138 N -1.07 -1.00 3.66 0.83 0.00 -0.49 -4.93 105.19 102.19 2qu1 n GLY 138 Ca -0.02 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 2qu1 n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2qu1 n HIS 139 N -0.99 -1.94 -0.31 1.61 8.25 -0.23 -4.91 115.22 116.70 2qu1 n HIS 139 Ca 0.18 0.47 0.08 0.00 -0.26 0.00 0.00 57.72 58.19 2qu1 n HIS 139 Cb 0.22 -3.45 0.23 0.00 1.12 0.00 0.00 29.99 28.12 2qu1 n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2qu1 n LYS 140 N -4.11 2.89 -3.83 -0.41 5.02 -0.27 -4.99 118.16 112.46 2qu1 n LYS 140 Ca -0.09 -2.37 -0.36 0.00 -2.02 0.00 0.00 58.31 53.47 2qu1 n LYS 140 Cb 0.59 -1.45 -0.07 0.00 -0.02 0.00 0.00 35.03 34.08 2qu1 n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2qu1 s LEU 141 N -1.14 4.23 0.59 -0.35 1.43 -1.25 -0.79 118.68 121.40 2qu1 s LEU 141 Ca 0.35 0.31 -0.19 0.00 -1.03 0.00 0.00 54.13 53.57 2qu1 s LEU 141 Cb 0.19 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 2qu1 s LEU 141 CO 0.22 0.28 1.24 -1.61 0.23 0.00 0.00 176.35 176.72 2qu1 s GLU 142 N -0.25 2.99 -1.31 1.70 2.02 -0.38 -4.86 118.70 118.62 2qu1 s GLU 142 Ca 0.11 1.92 -0.13 0.00 0.02 0.00 0.00 54.97 56.89 2qu1 s GLU 142 Cb -0.12 -2.00 0.12 0.00 0.10 0.00 0.00 34.13 32.24 2qu1 s GLU 142 CO 0.01 -1.22 1.83 0.98 0.02 0.00 0.00 175.26 176.88 2qu1 n TYR 143 N -1.48 3.82 -3.69 1.61 9.36 -1.26 -4.81 117.16 120.72 2qu1 n TYR 143 Ca 0.13 -2.98 -0.07 0.00 3.32 0.00 0.00 57.90 58.30 2qu1 n TYR 143 Cb 0.49 -2.25 -0.00 0.00 -0.63 0.00 0.00 39.34 36.95 2qu1 n TYR 143 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 2qu1 n ASN 144 N 5.48 -1.14 -3.64 2.98 0.23 -1.26 -4.88 115.26 113.03 2qu1 n ASN 144 Ca 0.43 -2.10 -0.10 0.00 -0.53 0.00 0.00 54.58 52.29 2qu1 n ASN 144 Cb 0.40 1.99 -0.07 0.00 -2.08 0.00 0.00 39.78 40.02 2qu1 n ASN 144 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 2qu1 s TYR 145 N -4.22 -0.96 0.66 -2.53 6.14 -1.26 -4.86 117.35 110.31 2qu1 s TYR 145 Ca 0.14 2.05 -0.02 0.00 0.64 0.00 0.00 57.07 59.88 2qu1 s TYR 145 Cb -0.02 0.50 0.08 0.00 0.42 0.00 0.00 41.96 42.93 2qu1 s TYR 145 CO 0.10 -0.47 0.92 -0.80 0.64 0.00 0.00 175.55 175.95 2qu1 s ASN 146 N 1.16 4.79 -0.14 4.32 0.01 -1.26 -4.64 114.94 119.18 2qu1 s ASN 146 Ca -0.06 0.01 -0.12 0.00 -0.71 0.00 0.00 52.86 51.98 2qu1 s ASN 146 Cb -0.05 -0.65 -0.05 0.00 0.41 0.00 0.00 41.25 40.91 2qu1 s ASN 146 CO -0.12 -1.54 0.26 -0.55 -1.51 0.00 0.00 177.10 173.64 2qu1 s SER 147 N -4.56 6.45 0.21 -1.22 0.15 -1.26 -4.46 113.70 109.01 2qu1 s SER 147 Ca 0.61 0.53 0.02 0.00 0.70 0.00 0.00 55.95 57.81 2qu1 s SER 147 Cb -0.09 -2.16 -0.05 0.00 -1.71 0.00 0.00 66.02 62.02 2qu1 s SER 147 CO 0.42 0.20 0.04 -1.00 1.20 0.00 0.00 173.24 174.10 2qu1 s HIS 148 N -0.04 1.37 -0.17 3.44 3.76 -1.07 -4.96 115.29 117.63 2qu1 s HIS 148 Ca 0.16 -1.07 -0.01 0.00 -0.15 0.00 0.00 55.06 54.00 2qu1 s HIS 148 Cb -0.13 -0.79 -0.00 0.00 1.11 0.00 0.00 32.58 32.76 2qu1 s HIS 148 CO 0.04 -0.24 -0.13 -0.80 -0.85 0.00 0.00 174.74 172.77 2qu1 s ASN 149 N -3.24 3.81 -0.41 1.40 0.01 -1.26 -0.40 114.94 114.85 2qu1 s ASN 149 Ca 0.30 -0.45 -0.16 0.00 -0.71 0.00 0.00 52.86 51.84 2qu1 s ASN 149 Cb 0.07 -1.60 0.02 0.00 0.41 0.00 0.00 41.25 40.14 2qu1 s ASN 149 CO 0.08 0.06 0.35 -0.69 -1.51 0.00 0.00 177.10 175.39 2qu1 s VAL 150 N 0.95 5.20 -0.29 1.60 1.01 0.97 -4.64 120.40 125.20 2qu1 s VAL 150 Ca -0.02 -0.52 -0.22 0.00 0.00 0.00 0.00 61.98 61.21 2qu1 s VAL 150 Cb -0.15 -3.96 -0.00 0.00 0.00 0.00 0.00 36.38 32.27 2qu1 s VAL 150 CO -0.01 -0.33 0.73 -0.31 0.00 0.00 0.00 175.10 175.17 2qu1 s TYR 151 N 1.84 3.22 -0.08 5.22 2.02 -0.94 -0.78 117.35 127.86 2qu1 s TYR 151 Ca 0.08 0.78 -0.00 0.00 -0.37 0.00 0.00 57.07 57.55 2qu1 s TYR 151 Cb -0.18 -3.10 -0.03 0.00 -0.40 0.00 0.00 41.96 38.25 2qu1 s TYR 151 CO 0.11 -0.50 -0.04 0.42 -1.57 0.00 0.00 175.55 173.97 2qu1 s ILE 152 N 2.80 3.92 0.04 2.71 1.01 0.35 -1.08 121.20 130.96 2qu1 s ILE 152 Ca 0.30 -0.39 0.02 0.00 0.00 0.00 0.00 60.65 60.58 2qu1 s ILE 152 Cb -0.15 -2.63 -0.02 0.00 0.01 0.00 0.00 42.46 39.67 2qu1 s ILE 152 CO 0.11 0.59 -0.07 -0.89 0.00 0.00 0.00 174.94 174.68 2qu1 s THR 153 N -0.72 0.53 0.43 2.92 2.01 -0.37 -2.56 115.64 117.87 2qu1 s THR 153 Ca 0.11 -1.11 -0.24 0.00 0.31 0.00 0.00 61.69 60.76 2qu1 s THR 153 Cb -0.11 -0.65 -0.08 0.00 0.01 0.00 0.00 72.50 71.67 2qu1 s THR 153 CO 0.02 -0.41 1.13 0.00 -0.69 0.00 0.00 174.62 174.66 2qu1 s ALA 154 N -1.50 3.05 -0.56 7.40 0.00 -1.24 -1.07 121.76 127.85 2qu1 s ALA 154 Ca -0.09 0.86 0.02 0.00 0.00 0.00 0.00 51.96 52.75 2qu1 s ALA 154 Cb -0.09 -3.34 0.14 0.00 0.00 0.00 0.00 23.12 19.83 2qu1 s ALA 154 CO 0.00 -0.48 0.33 0.34 0.00 0.00 0.00 175.76 175.95 2qu1 s ASP 155 N -1.38 4.66 0.17 0.00 3.68 0.12 -4.69 116.67 119.22 2qu1 s ASP 155 Ca 0.60 -2.96 -0.09 0.00 2.13 0.00 0.00 52.55 52.22 2qu1 s ASP 155 Cb -0.27 -1.72 0.04 0.00 -1.45 0.00 0.00 42.92 39.52 2qu1 s ASP 155 CO 0.33 -0.28 1.59 0.11 0.13 0.00 0.00 175.17 177.05 2qu1 h LYS 156 N 6.68 1.03 -0.94 4.34 1.57 -1.96 -0.82 116.57 126.47 2qu1 h LYS 156 Ca -0.05 -0.39 0.18 0.00 -1.87 0.00 0.00 60.65 58.52 2qu1 h LYS 156 Cb 0.91 -0.06 -0.11 0.00 0.08 0.00 0.00 32.23 33.06 2qu1 h LYS 156 CO 0.70 1.08 0.53 1.96 -0.57 0.00 0.00 179.45 183.15 2qu1 h GLN 157 N 0.91 0.65 -0.36 3.15 4.20 -1.94 -1.47 115.11 120.25 2qu1 h GLN 157 Ca 0.14 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.81 2qu1 h GLN 157 Cb 0.70 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.34 2qu1 h GLN 157 CO 0.05 0.43 0.00 1.63 -0.67 0.00 0.00 178.83 180.27 2qu1 n LYS 158 N -4.84 2.46 -3.63 1.46 5.02 -1.07 -4.96 118.16 112.60 2qu1 n LYS 158 Ca 0.21 -2.21 -0.26 0.00 -2.02 0.00 0.00 58.31 54.04 2qu1 n LYS 158 Cb 0.55 -1.51 0.06 0.00 -0.02 0.00 0.00 35.03 34.11 2qu1 n LYS 158 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2qu1 n ASN 159 N 1.43 -5.93 0.00 4.39 5.15 -0.55 -4.77 115.26 114.98 2qu1 n ASN 159 Ca 0.19 -0.58 0.00 0.00 -0.60 0.00 0.00 54.58 53.59 2qu1 n ASN 159 Cb 0.59 -4.69 0.00 0.00 -0.53 0.00 0.00 39.78 35.15 2qu1 n ASN 159 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2qu1 n GLY 160 N -1.88 4.12 3.22 8.20 0.00 -0.40 -4.28 105.19 114.17 2qu1 n GLY 160 Ca 0.01 -0.88 -0.13 0.00 0.00 0.00 0.00 46.02 45.02 2qu1 n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2qu1 s ILE 161 N -1.03 0.88 0.25 -0.61 -4.36 -0.76 0.10 121.20 115.68 2qu1 s ILE 161 Ca 0.00 -1.99 0.11 0.00 -0.26 0.00 0.00 60.65 58.50 2qu1 s ILE 161 Cb 0.00 -1.84 -0.05 0.00 1.25 0.00 0.00 42.46 41.82 2qu1 s ILE 161 CO 0.00 -0.74 -0.19 -0.54 0.24 0.00 0.00 174.94 173.71 2qu1 s LYS 162 N -3.82 1.56 0.01 0.37 1.02 -0.23 -1.59 119.74 117.07 2qu1 s LYS 162 Ca 0.16 -1.69 -0.01 0.00 0.02 0.00 0.00 55.97 54.45 2qu1 s LYS 162 Cb 0.04 -1.58 -0.02 0.00 -0.52 0.00 0.00 37.83 35.75 2qu1 s LYS 162 CO -0.01 0.29 -0.01 0.00 -0.92 0.00 0.00 175.35 174.70 2qu1 s ALA 163 N -2.56 0.06 -0.02 5.17 0.00 -0.37 -1.23 121.76 122.81 2qu1 s ALA 163 Ca 0.27 -0.46 0.02 0.00 0.00 0.00 0.00 51.96 51.80 2qu1 s ALA 163 Cb -0.04 0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.20 2qu1 s ALA 163 CO 0.12 -0.14 -0.08 -0.80 0.00 0.00 0.00 175.76 174.86 2qu1 s ASN 164 N -1.22 1.05 0.14 0.00 0.01 -0.24 -1.37 114.94 113.31 2qu1 s ASN 164 Ca -0.13 -0.16 -0.25 0.00 -0.71 0.00 0.00 52.86 51.61 2qu1 s ASN 164 Cb -0.08 -0.24 0.07 0.00 0.41 0.00 0.00 41.25 41.40 2qu1 s ASN 164 CO -0.01 0.06 0.81 0.72 -1.51 0.00 0.00 177.10 177.18 2qu1 s PHE 165 N 0.12 -0.29 -0.21 2.20 -0.71 -1.00 -2.22 117.98 115.87 2qu1 s PHE 165 Ca -0.02 0.03 0.02 0.00 -1.04 0.00 0.00 56.93 55.92 2qu1 s PHE 165 Cb -0.07 0.61 0.04 0.00 -1.21 0.00 0.00 43.02 42.39 2qu1 s PHE 165 CO 0.00 -0.84 -0.15 0.15 -1.34 0.00 0.00 175.22 173.05 2qu1 s LYS 166 N -3.47 2.56 0.03 1.99 1.02 -1.26 -0.53 119.74 120.08 2qu1 s LYS 166 Ca 0.07 -1.02 -0.22 0.00 0.02 0.00 0.00 55.97 54.82 2qu1 s LYS 166 Cb -0.02 -2.66 -0.06 0.00 -0.52 0.00 0.00 37.83 34.57 2qu1 s LYS 166 CO -0.03 -0.38 0.65 0.42 -0.92 0.00 0.00 175.35 175.08 2qu1 s ILE 167 N 1.24 4.81 -0.29 2.17 -1.09 -0.19 -4.89 121.20 122.96 2qu1 s ILE 167 Ca -0.01 1.37 -0.04 0.00 -2.23 0.00 0.00 60.65 59.74 2qu1 s ILE 167 Cb -0.16 -3.99 0.03 0.00 -1.58 0.00 0.00 42.46 36.76 2qu1 s ILE 167 CO -0.09 0.43 0.02 -0.13 -1.23 0.00 0.00 174.94 173.93 2qu1 s ARG 168 N -0.34 2.74 -0.27 2.79 0.52 -1.26 -0.59 118.95 122.54 2qu1 s ARG 168 Ca 0.33 -1.07 -0.13 0.00 -0.52 0.00 0.00 55.73 54.34 2qu1 s ARG 168 Cb -0.19 -3.21 -0.04 0.00 0.52 0.00 0.00 34.95 32.03 2qu1 s ARG 168 CO 0.19 -0.52 0.27 -1.01 0.02 0.00 0.00 175.30 174.25 2qu1 s HIS 169 N 1.36 3.25 0.20 -0.53 3.76 -0.02 -4.35 115.29 118.95 2qu1 s HIS 169 Ca -0.01 0.26 -0.30 0.00 -0.15 0.00 0.00 55.06 54.86 2qu1 s HIS 169 Cb -0.18 -2.45 -0.09 0.00 1.11 0.00 0.00 32.58 30.97 2qu1 s HIS 169 CO -0.01 -0.16 1.32 -0.80 -0.85 0.00 0.00 174.74 174.24 2qu1 s ASN 170 N 1.62 6.88 0.06 1.40 0.01 -1.26 -0.32 114.94 123.32 2qu1 s ASN 170 Ca 0.11 2.42 -0.03 0.00 -0.71 0.00 0.00 52.86 54.65 2qu1 s ASN 170 Cb -0.16 -2.61 -0.04 0.00 0.41 0.00 0.00 41.25 38.85 2qu1 s ASN 170 CO 0.10 -0.54 0.25 -0.63 -1.51 0.00 0.00 177.10 174.77 2qu1 s ILE 171 N 0.13 5.33 -0.10 0.60 1.01 -0.22 -1.24 121.20 126.70 2qu1 s ILE 171 Ca 0.57 -0.15 0.25 0.00 0.00 0.00 0.00 60.65 61.32 2qu1 s ILE 171 Cb -0.37 -3.60 0.26 0.00 0.01 0.00 0.00 42.46 38.76 2qu1 s ILE 171 CO 0.38 0.19 1.78 1.05 0.00 0.00 0.00 174.94 178.34 2qu1 h GLU 172 N 3.31 0.00 -0.01 2.79 4.11 -1.28 -0.48 114.58 123.02 2qu1 h GLU 172 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 2qu1 h GLU 172 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2qu1 h GLU 172 CO 0.72 0.00 -0.04 -0.40 0.07 0.00 0.00 179.01 179.36 2qu1 n ASP 173 N -2.39 1.23 0.00 3.06 5.75 -1.26 -4.93 116.55 118.01 2qu1 n ASP 173 Ca -0.01 -1.32 0.00 0.00 -0.01 0.00 0.00 54.79 53.45 2qu1 n ASP 173 Cb 0.07 0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 2qu1 n ASP 173 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qu1 n GLY 174 N 1.19 0.95 1.18 6.12 0.00 -0.19 -5.08 105.19 109.36 2qu1 n GLY 174 Ca 0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 2qu1 n GLY 174 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2qu1 n SER 175 N 0.00 0.12 -4.03 1.61 2.88 -1.25 -4.80 113.62 108.15 2qu1 n SER 175 Ca 0.00 -1.20 -0.20 0.00 -1.33 0.00 0.00 58.87 56.15 2qu1 n SER 175 Cb 0.00 -0.28 -0.15 0.00 -0.75 0.00 0.00 64.21 63.03 2qu1 n SER 175 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2qu1 s VAL 176 N -1.62 0.80 -0.36 2.46 -7.23 -1.26 -1.06 120.40 112.12 2qu1 s VAL 176 Ca 0.22 -0.42 -0.10 0.00 -1.81 0.00 0.00 61.98 59.88 2qu1 s VAL 176 Cb -0.01 -0.67 0.03 0.00 0.56 0.00 0.00 36.38 36.29 2qu1 s VAL 176 CO 0.16 0.23 0.17 -1.58 -0.31 0.00 0.00 175.10 173.77 2qu1 s GLN 177 N -0.16 2.78 0.28 4.82 2.00 0.57 -4.92 119.66 125.02 2qu1 s GLN 177 Ca 0.03 -1.10 -0.29 0.00 -2.00 0.00 0.00 55.36 52.00 2qu1 s GLN 177 Cb -0.05 -3.64 -0.09 0.00 0.80 0.00 0.00 33.01 30.03 2qu1 s GLN 177 CO -0.00 -0.68 1.00 -1.17 -0.50 0.00 0.00 175.29 173.94 2qu1 s LEU 178 N 1.51 4.52 -0.31 3.68 2.96 -1.26 -0.84 118.68 128.94 2qu1 s LEU 178 Ca 0.01 2.04 0.00 0.00 -0.22 0.00 0.00 54.13 55.96 2qu1 s LEU 178 Cb -0.19 -3.74 0.10 0.00 0.50 0.00 0.00 46.19 42.86 2qu1 s LEU 178 CO 0.05 -0.03 0.09 0.00 -1.32 0.00 0.00 176.35 175.14 2qu1 s ALA 179 N -1.29 1.78 0.00 5.97 0.00 0.25 -1.09 121.76 127.38 2qu1 s ALA 179 Ca 0.45 -1.81 -0.30 0.00 0.00 0.00 0.00 51.96 50.29 2qu1 s ALA 179 Cb -0.26 -1.68 -0.04 0.00 0.00 0.00 0.00 23.12 21.13 2qu1 s ALA 179 CO 0.33 -1.66 1.20 -0.51 0.00 0.00 0.00 175.76 175.12 2qu1 s ASP 180 N 1.49 7.07 -0.16 0.00 1.01 -0.32 -1.02 116.67 124.74 2qu1 s ASP 180 Ca 0.10 1.91 -0.02 0.00 0.71 0.00 0.00 52.55 55.25 2qu1 s ASP 180 Cb -0.18 -2.57 -0.01 0.00 1.01 0.00 0.00 42.92 41.17 2qu1 s ASP 180 CO -0.22 -0.52 -0.09 -1.00 0.21 0.00 0.00 175.17 173.55 2qu1 s HIS 181 N 1.66 2.90 -0.07 4.23 3.76 0.31 -1.00 115.29 127.08 2qu1 s HIS 181 Ca 0.57 -0.68 0.05 0.00 -0.15 0.00 0.00 55.06 54.84 2qu1 s HIS 181 Cb -0.27 -1.95 -0.01 0.00 1.11 0.00 0.00 32.58 31.46 2qu1 s HIS 181 CO 0.26 -0.29 -0.22 -0.47 -0.85 0.00 0.00 174.74 173.16 2qu1 s TYR 182 N 0.72 2.54 0.00 1.40 5.04 -0.69 -2.36 117.35 123.99 2qu1 s TYR 182 Ca -0.04 -0.70 0.01 0.00 -2.44 0.00 0.00 57.07 53.89 2qu1 s TYR 182 Cb -0.15 -1.65 -0.00 0.00 0.35 0.00 0.00 41.96 40.50 2qu1 s TYR 182 CO 0.02 -0.20 -0.02 -1.14 -1.34 0.00 0.00 175.55 172.86 2qu1 s GLN 183 N -0.08 0.19 -0.02 4.97 0.74 -0.47 -1.51 119.66 123.47 2qu1 s GLN 183 Ca -0.05 -0.14 0.01 0.00 0.05 0.00 0.00 55.36 55.23 2qu1 s GLN 183 Cb -0.14 -0.14 0.01 0.00 1.10 0.00 0.00 33.01 33.83 2qu1 s GLN 183 CO 0.04 0.04 -0.05 -0.65 -0.55 0.00 0.00 175.29 174.13 2qu1 s GLN 184 N -0.21 0.54 -0.02 1.67 -0.21 0.24 -1.23 119.66 120.44 2qu1 s GLN 184 Ca -0.01 -0.14 0.05 0.00 0.02 0.00 0.00 55.36 55.28 2qu1 s GLN 184 Cb -0.02 -0.56 -0.01 0.00 1.00 0.00 0.00 33.01 33.42 2qu1 s GLN 184 CO -0.00 0.03 -0.16 -0.80 -2.12 0.00 0.00 175.29 172.24 2qu1 s ASN 185 N 0.31 1.98 0.02 5.90 -0.87 -0.62 -0.45 114.94 121.21 2qu1 s ASN 185 Ca -0.04 -0.31 0.01 0.00 -1.57 0.00 0.00 52.86 50.96 2qu1 s ASN 185 Cb -0.07 -0.31 -0.01 0.00 -0.02 0.00 0.00 41.25 40.83 2qu1 s ASN 185 CO -0.00 0.19 -0.05 0.42 -2.57 0.00 0.00 177.10 175.09 2qu1 s THR 186 N -0.26 0.32 0.47 1.60 -4.23 -0.43 -1.83 115.64 111.27 2qu1 s THR 186 Ca 0.04 -0.57 -0.23 0.00 -1.18 0.00 0.00 61.69 59.74 2qu1 s THR 186 Cb -0.08 -0.35 -0.07 0.00 1.34 0.00 0.00 72.50 73.34 2qu1 s THR 186 CO 0.00 -0.17 1.22 -2.16 -0.54 0.00 0.00 174.62 172.96 2qu1 s PRO 187 N -0.80 3.65 -0.05 3.99 0.04 -1.26 -0.29 135.00 140.29 2qu1 s PRO 187 Ca -0.05 1.90 -0.05 0.00 0.04 0.00 0.00 61.00 62.84 2qu1 s PRO 187 Cb -0.06 -2.41 -0.28 0.00 0.04 0.00 0.00 34.50 31.79 2qu1 s PRO 187 CO -0.00 -0.67 0.66 0.82 0.04 0.00 0.00 177.00 177.85 2qu1 h ILE 188 N 1.84 0.93 -4.05 0.56 2.04 -1.34 -3.45 117.51 114.04 2qu1 h ILE 188 Ca -0.50 -2.59 -0.45 0.00 1.00 0.00 0.00 64.86 62.33 2qu1 h ILE 188 Cb 1.26 2.67 0.16 0.00 -0.74 0.00 0.00 36.82 40.17 2qu1 h ILE 188 CO 0.60 0.82 0.42 -0.83 0.00 0.00 0.00 178.15 179.16 2qu1 s GLY 189 N -5.17 1.77 -0.00 5.37 0.00 -1.26 -5.01 107.32 103.02 2qu1 s GLY 189 Ca -0.14 -1.17 0.19 0.00 0.00 0.00 0.00 44.72 43.60 2qu1 s GLY 189 CO 0.83 -0.42 0.81 1.22 0.00 0.00 0.00 173.10 175.55 2qu1 n ASP 190 N -3.76 0.90 -4.72 1.64 10.43 -1.26 -4.98 116.55 114.80 2qu1 n ASP 190 Ca 0.15 -0.95 -0.34 0.00 2.57 0.00 0.00 54.79 56.22 2qu1 n ASP 190 Cb 0.59 1.00 0.09 0.00 1.84 0.00 0.00 41.12 44.65 2qu1 n ASP 190 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 2qu1 s GLY 191 N -2.81 2.37 0.61 0.44 0.00 -1.26 -4.98 107.32 101.69 2qu1 s GLY 191 Ca 0.07 0.90 -0.17 0.00 0.00 0.00 0.00 44.72 45.52 2qu1 s GLY 191 CO 0.78 1.31 1.15 2.56 0.00 0.00 0.00 173.10 178.89 2qu1 s PRO 192 N -3.88 2.95 0.30 2.90 0.04 -1.26 -5.05 135.00 131.00 2qu1 s PRO 192 Ca 0.75 1.59 0.06 0.00 0.04 0.00 0.00 61.00 63.44 2qu1 s PRO 192 Cb -0.30 -1.95 -0.06 0.00 0.04 0.00 0.00 34.50 32.23 2qu1 s PRO 192 CO 0.45 -1.16 -0.04 0.14 0.04 0.00 0.00 177.00 176.42 2qu1 s VAL 193 N -1.96 1.65 -0.20 -0.36 -7.23 -1.26 -4.79 120.40 106.24 2qu1 s VAL 193 Ca 0.72 -2.11 -0.22 0.00 -1.81 0.00 0.00 61.98 58.57 2qu1 s VAL 193 Cb -0.24 -2.54 -0.02 0.00 0.56 0.00 0.00 36.38 34.13 2qu1 s VAL 193 CO 0.35 -0.24 0.67 -0.76 -0.31 0.00 0.00 175.10 174.81 2qu1 s LEU 194 N -3.48 4.14 -0.39 1.32 1.43 -1.26 -5.04 118.68 115.40 2qu1 s LEU 194 Ca 0.31 0.88 -0.14 0.00 -1.03 0.00 0.00 54.13 54.15 2qu1 s LEU 194 Cb 0.05 -2.95 0.01 0.00 0.03 0.00 0.00 46.19 43.33 2qu1 s LEU 194 CO 0.13 -0.31 0.28 -0.76 0.23 0.00 0.00 176.35 175.92 2qu1 s LEU 195 N 2.03 4.93 0.47 1.79 1.43 -1.26 -3.95 118.68 124.12 2qu1 s LEU 195 Ca 0.30 -0.76 -0.15 0.00 -1.03 0.00 0.00 54.13 52.50 2qu1 s LEU 195 Cb -0.16 -2.15 -0.08 0.00 0.03 0.00 0.00 46.19 43.83 2qu1 s LEU 195 CO 0.10 -0.39 0.90 -2.16 0.23 0.00 0.00 176.35 175.04 2qu1 s PRO 196 N 1.69 3.91 0.89 1.29 0.04 -1.26 -4.92 135.00 136.63 2qu1 s PRO 196 Ca 0.05 0.78 -0.11 0.00 0.04 0.00 0.00 61.00 61.77 2qu1 s PRO 196 Cb -0.19 -2.24 0.13 0.00 0.04 0.00 0.00 34.50 32.24 2qu1 s PRO 196 CO 0.10 -0.16 1.11 -0.51 0.04 0.00 0.00 177.00 177.58 2qu1 s ASP 197 N -3.02 3.38 0.19 6.66 -0.00 -1.26 -3.60 116.67 119.01 2qu1 s ASP 197 Ca 0.56 1.86 -0.33 0.00 -0.00 0.00 0.00 52.55 54.65 2qu1 s ASP 197 Cb -0.10 -2.45 -0.14 0.00 -0.00 0.00 0.00 42.92 40.23 2qu1 s ASP 197 CO 0.30 -2.76 1.46 0.59 -0.00 0.00 0.00 175.17 174.76 2qu1 n ASN 198 N -3.99 2.72 -2.92 0.27 3.02 -1.26 -4.80 115.26 108.31 2qu1 n ASN 198 Ca 0.09 1.12 -0.05 0.00 -0.03 0.00 0.00 54.58 55.71 2qu1 n ASN 198 Cb 0.53 -1.40 0.02 0.00 -0.61 0.00 0.00 39.78 38.33 2qu1 n ASN 198 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qu1 n HIS 199 N 2.53 -1.69 -4.15 3.10 1.44 -1.06 -4.77 115.22 110.62 2qu1 n HIS 199 Ca 0.14 -1.39 -0.10 0.00 -2.01 0.00 0.00 57.72 54.37 2qu1 n HIS 199 Cb 0.29 0.69 -0.10 0.00 0.12 0.00 0.00 29.99 30.99 2qu1 n HIS 199 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 2qu1 s TYR 200 N -2.54 0.80 -0.16 -1.40 -0.85 -0.73 -0.49 117.35 111.98 2qu1 s TYR 200 Ca 0.18 -1.07 -0.04 0.00 -0.52 0.00 0.00 57.07 55.62 2qu1 s TYR 200 Cb -0.03 -0.49 -0.03 0.00 0.38 0.00 0.00 41.96 41.78 2qu1 s TYR 200 CO 0.07 -0.33 -0.01 -0.51 -1.52 0.00 0.00 175.55 173.25 2qu1 s LEU 201 N -3.02 3.40 -0.25 -3.49 1.43 0.04 -0.51 118.68 116.28 2qu1 s LEU 201 Ca 0.15 -0.06 -0.14 0.00 -1.03 0.00 0.00 54.13 53.05 2qu1 s LEU 201 Cb 0.07 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.42 2qu1 s LEU 201 CO -0.04 0.19 0.34 -0.55 0.23 0.00 0.00 176.35 176.52 2qu1 s SER 202 N 0.27 6.28 0.23 2.29 0.15 0.23 -0.02 113.70 123.14 2qu1 s SER 202 Ca -0.01 0.32 0.11 0.00 0.70 0.00 0.00 55.95 57.06 2qu1 s SER 202 Cb -0.14 -2.20 -0.05 0.00 -1.71 0.00 0.00 66.02 61.93 2qu1 s SER 202 CO 0.02 -0.11 -0.17 0.42 1.20 0.00 0.00 173.24 174.61 2qu1 s THR 203 N 1.68 2.71 -0.19 6.45 -4.23 0.46 -1.65 115.64 120.86 2qu1 s THR 203 Ca 0.15 -2.08 -0.14 0.00 -1.18 0.00 0.00 61.69 58.44 2qu1 s THR 203 Cb -0.15 -2.37 0.06 0.00 1.34 0.00 0.00 72.50 71.37 2qu1 s THR 203 CO 0.09 -0.25 0.48 -1.58 -0.54 0.00 0.00 174.62 172.82 2qu1 s GLN 204 N -3.14 0.52 -0.01 3.99 0.74 -0.53 -2.59 119.66 118.64 2qu1 s GLN 204 Ca 0.26 0.80 -0.00 0.00 0.05 0.00 0.00 55.36 56.47 2qu1 s GLN 204 Cb -0.07 0.13 0.01 0.00 1.10 0.00 0.00 33.01 34.19 2qu1 s GLN 204 CO 0.14 -0.12 0.01 -1.12 -0.55 0.00 0.00 175.29 173.66 2qu1 s SER 205 N 0.92 0.02 -0.12 6.67 0.01 -1.26 -0.85 113.70 119.09 2qu1 s SER 205 Ca -0.05 0.02 0.03 0.00 1.31 0.00 0.00 55.95 57.26 2qu1 s SER 205 Cb -0.06 -0.01 0.01 0.00 0.21 0.00 0.00 66.02 66.17 2qu1 s SER 205 CO -0.08 -0.04 -0.21 0.00 0.41 0.00 0.00 173.24 173.32 2qu1 s ALA 206 N 0.35 2.12 -0.11 1.44 0.00 0.49 -4.52 121.76 121.53 2qu1 s ALA 206 Ca -0.03 -0.99 -0.05 0.00 0.00 0.00 0.00 51.96 50.89 2qu1 s ALA 206 Cb -0.04 -0.90 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 2qu1 s ALA 206 CO -0.01 0.07 0.09 -0.51 0.00 0.00 0.00 175.76 175.40 2qu1 s LEU 207 N 0.68 4.07 0.32 0.00 1.43 -1.26 -1.39 118.68 122.53 2qu1 s LEU 207 Ca -0.11 0.34 -0.06 0.00 -1.03 0.00 0.00 54.13 53.28 2qu1 s LEU 207 Cb -0.16 -1.97 0.00 0.00 0.03 0.00 0.00 46.19 44.09 2qu1 s LEU 207 CO 0.02 0.40 0.49 -0.94 0.23 0.00 0.00 176.35 176.55 2qu1 s SER 208 N -0.97 0.62 0.16 2.29 1.04 0.05 -4.95 113.70 111.93 2qu1 s SER 208 Ca 0.14 -1.35 0.11 0.00 0.48 0.00 0.00 55.95 55.34 2qu1 s SER 208 Cb -0.12 0.66 -0.04 0.00 0.10 0.00 0.00 66.02 66.62 2qu1 s SER 208 CO 0.03 -1.29 -0.25 -0.54 0.98 0.00 0.00 173.24 172.17 2qu1 s LYS 209 N -3.20 1.44 -0.29 4.02 -0.14 -1.26 -1.41 119.74 118.90 2qu1 s LYS 209 Ca 0.28 -1.43 -0.19 0.00 -1.36 0.00 0.00 55.97 53.27 2qu1 s LYS 209 Cb -0.01 -1.85 -0.02 0.00 -1.68 0.00 0.00 37.83 34.28 2qu1 s LYS 209 CO 0.17 0.42 0.57 0.34 -0.76 0.00 0.00 175.35 176.10 2qu1 s ASP 210 N -2.34 6.46 0.12 2.83 -1.08 -1.26 -4.95 116.67 116.44 2qu1 s ASP 210 Ca 0.17 0.43 0.19 0.00 -0.52 0.00 0.00 52.55 52.82 2qu1 s ASP 210 Cb -0.09 -2.31 0.80 0.00 -1.46 0.00 0.00 42.92 39.87 2qu1 s ASP 210 CO 0.08 -0.40 1.60 -0.81 0.52 0.00 0.00 175.17 176.15 2qu1 n PRO 211 N 5.73 0.09 0.00 4.34 -0.04 -1.26 -1.63 135.00 142.23 2qu1 n PRO 211 Ca -0.03 0.32 0.11 0.00 -0.04 0.00 0.00 63.50 63.86 2qu1 n PRO 211 Cb 0.49 -1.67 0.08 0.00 -0.04 0.00 0.00 33.50 32.36 2qu1 n PRO 211 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2qu1 n ASN 212 N -1.84 1.74 -4.64 3.54 3.02 -1.26 -4.92 115.26 110.89 2qu1 n ASN 212 Ca 0.03 -1.34 -0.39 0.00 -0.03 0.00 0.00 54.58 52.85 2qu1 n ASN 212 Cb 0.21 0.42 -0.07 0.00 -0.61 0.00 0.00 39.78 39.73 2qu1 n ASN 212 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2qu1 s GLU 213 N -2.51 4.13 0.06 3.52 2.56 -0.65 -4.94 118.70 120.87 2qu1 s GLU 213 Ca 0.19 0.33 0.21 0.00 0.00 0.00 0.00 54.97 55.70 2qu1 s GLU 213 Cb 0.18 -3.60 -0.17 0.00 2.00 0.00 0.00 34.13 32.54 2qu1 s GLU 213 CO 0.58 -0.22 0.72 1.63 -0.56 0.00 0.00 175.26 177.41 2qu1 n LYS 214 N 5.08 0.63 -1.54 4.30 5.02 -1.26 -4.89 118.16 125.50 2qu1 n LYS 214 Ca -0.05 0.01 -0.31 0.00 -2.02 0.00 0.00 58.31 55.94 2qu1 n LYS 214 Cb 0.50 -1.69 0.06 0.00 -0.02 0.00 0.00 35.03 33.88 2qu1 n LYS 214 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2qu1 s ARG 215 N -3.28 2.80 -0.00 1.97 0.52 -1.26 -4.98 118.95 114.72 2qu1 s ARG 215 Ca -0.04 0.94 -0.30 0.00 -0.52 0.00 0.00 55.73 55.81 2qu1 s ARG 215 Cb 0.11 -1.98 -0.05 0.00 0.52 0.00 0.00 34.95 33.55 2qu1 s ARG 215 CO 0.84 -1.19 1.32 0.34 0.02 0.00 0.00 175.30 176.63 2qu1 s ASP 216 N -3.77 6.93 0.00 0.23 -1.08 -1.26 -4.96 116.67 112.75 2qu1 s ASP 216 Ca 0.59 2.04 0.00 0.00 -0.52 0.00 0.00 52.55 54.65 2qu1 s ASP 216 Cb -0.14 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.75 2qu1 s ASP 216 CO 0.55 -0.65 0.00 0.00 0.52 0.00 0.00 175.17 175.59 2qu1 n HIS 217 N 5.08 0.00 -3.77 -5.34 1.44 -1.26 -0.84 115.22 110.52 2qu1 n HIS 217 Ca 0.12 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.70 2qu1 n HIS 217 Cb 0.44 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.42 2qu1 n HIS 217 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2qu1 s VAL 219 N -1.70 -0.03 -0.05 0.61 1.01 -0.50 -4.96 120.40 114.78 2qu1 s VAL 219 Ca 0.00 0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.10 2qu1 s VAL 219 Cb 0.00 -0.28 0.01 0.00 0.00 0.00 0.00 36.38 36.11 2qu1 s VAL 219 CO 0.00 0.04 -0.10 -0.22 0.00 0.00 0.00 175.10 174.82 2qu1 s LEU 220 N 0.78 1.59 -0.12 3.92 2.96 0.10 -0.77 118.68 127.14 2qu1 s LEU 220 Ca -0.06 -0.24 0.03 0.00 -0.22 0.00 0.00 54.13 53.64 2qu1 s LEU 220 Cb -0.07 -0.70 0.01 0.00 0.50 0.00 0.00 46.19 45.92 2qu1 s LEU 220 CO -0.04 0.02 -0.22 -0.22 -1.32 0.00 0.00 176.35 174.57 2qu1 s LEU 221 N 0.65 2.07 -0.00 -0.68 2.96 -0.49 -1.67 118.68 121.51 2qu1 s LEU 221 Ca -0.12 -0.57 0.00 0.00 -0.22 0.00 0.00 54.13 53.22 2qu1 s LEU 221 Cb -0.15 -1.40 -0.00 0.00 0.50 0.00 0.00 46.19 45.14 2qu1 s LEU 221 CO 0.02 0.10 -0.01 -0.70 -1.32 0.00 0.00 176.35 174.45 2qu1 s GLU 222 N 0.67 0.05 -0.09 1.98 2.12 -0.44 -0.38 118.70 122.60 2qu1 s GLU 222 Ca -0.11 -0.02 0.03 0.00 0.36 0.00 0.00 54.97 55.23 2qu1 s GLU 222 Cb -0.16 -0.05 0.01 0.00 0.26 0.00 0.00 34.13 34.18 2qu1 s GLU 222 CO 0.02 0.01 -0.20 -0.06 -0.54 0.00 0.00 175.26 174.50 2qu1 s PHE 223 N -0.01 2.18 -0.03 5.30 0.40 -0.03 -1.00 117.98 124.80 2qu1 s PHE 223 Ca 0.00 -0.91 0.01 0.00 -0.60 0.00 0.00 56.93 55.43 2qu1 s PHE 223 Cb -0.00 -1.50 0.02 0.00 0.51 0.00 0.00 43.02 42.04 2qu1 s PHE 223 CO -0.00 -0.40 -0.04 0.08 0.70 0.00 0.00 175.22 175.57 2qu1 s VAL 224 N 0.53 0.43 -0.04 -0.44 1.01 -0.17 -1.46 120.40 120.26 2qu1 s VAL 224 Ca -0.16 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 61.73 2qu1 s VAL 224 Cb -0.17 -0.45 0.02 0.00 0.00 0.00 0.00 36.38 35.79 2qu1 s VAL 224 CO 0.06 0.18 -0.03 -0.89 0.00 0.00 0.00 175.10 174.41 2qu1 s THR 225 N 0.69 0.46 0.46 3.92 2.01 -0.66 -0.89 115.64 121.63 2qu1 s THR 225 Ca -0.08 -0.07 -0.22 0.00 0.31 0.00 0.00 61.69 61.63 2qu1 s THR 225 Cb -0.12 -0.51 -0.08 0.00 0.01 0.00 0.00 72.50 71.81 2qu1 s THR 225 CO -0.00 0.21 1.10 0.00 -0.69 0.00 0.00 174.62 175.24 2qu1 s ALA 226 N 1.02 2.94 0.36 7.40 0.00 0.55 -0.60 121.76 133.44 2qu1 s ALA 226 Ca -0.09 0.78 -0.12 0.00 0.00 0.00 0.00 51.96 52.53 2qu1 s ALA 226 Cb -0.14 -3.32 0.03 0.00 0.00 0.00 0.00 23.12 19.70 2qu1 s ALA 226 CO -0.01 -0.47 0.67 0.00 0.00 0.00 0.00 175.76 175.96 2qu1 s ALA 227 N -1.71 -0.27 0.00 0.00 0.00 0.33 -4.57 121.76 115.55 2qu1 s ALA 227 Ca 0.64 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 51.63 2qu1 s ALA 227 Cb -0.23 0.86 0.00 0.00 0.00 0.00 0.00 23.12 23.74 2qu1 s ALA 227 CO 0.28 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.53 2qu1 n GLY 228 N -0.53 0.57 3.06 0.00 0.00 -1.26 -1.77 105.19 105.25 2qu1 n GLY 228 Ca -0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 2qu1 n GLY 228 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qu1 s ILE 229 N -2.00 1.28 0.48 -0.61 1.01 -1.26 -4.86 121.20 115.24 2qu1 s ILE 229 Ca 0.00 -0.56 -0.02 0.00 0.00 0.00 0.00 60.65 60.06 2qu1 s ILE 229 Cb 0.00 -1.15 -0.01 0.00 0.01 0.00 0.00 42.46 41.31 2qu1 s ILE 229 CO 0.00 0.39 0.73 0.42 0.00 0.00 0.00 174.94 176.48 2qu1 s THR 230 N 0.60 4.20 -2.63 2.92 -4.23 -1.26 -5.10 115.64 110.14 2qu1 s THR 230 Ca -0.15 -0.24 0.21 0.00 -1.18 0.00 0.00 61.69 60.33 2qu1 s THR 230 Cb -0.16 -3.59 0.17 0.00 1.34 0.00 0.00 72.50 70.26 2qu1 s THR 230 CO 0.05 -0.49 1.17 0.00 -0.54 0.00 0.00 174.62 174.81