#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ha1 s GLY 2 N 0.00 1.70 0.21 0.23 0.00 -1.26 -4.93 107.32 103.26 2ha1 s GLY 2 Ca 0.00 -1.38 -0.20 0.00 0.00 0.00 0.00 44.72 43.14 2ha1 s GLY 2 CO 0.00 -1.36 0.29 -1.05 0.00 0.00 0.00 173.10 170.97 2ha1 n PRO 3 N 0.70 0.00 -1.90 2.90 -0.02 -1.26 -4.89 135.00 130.52 2ha1 n PRO 3 Ca -0.15 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.04 2ha1 n PRO 3 Cb 0.53 -0.78 0.13 0.00 -0.02 0.00 0.00 33.50 33.36 2ha1 n PRO 3 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2ha1 s VAL 4 N -0.96 2.00 -0.20 -1.45 1.01 -1.26 -5.03 120.40 114.50 2ha1 s VAL 4 Ca 0.49 0.00 -0.07 0.00 0.00 0.00 0.00 61.98 62.40 2ha1 s VAL 4 Cb -0.65 -2.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 2ha1 s VAL 4 CO 0.46 0.00 0.05 -1.61 0.00 0.00 0.00 175.10 173.99 2ha1 s GLU 5 N -5.71 3.79 0.01 2.72 2.02 -0.62 -4.95 118.70 115.97 2ha1 s GLU 5 Ca 0.67 -0.43 0.02 0.00 0.02 0.00 0.00 54.97 55.25 2ha1 s GLU 5 Cb -0.08 -3.21 -0.01 0.00 0.10 0.00 0.00 34.13 30.93 2ha1 s GLU 5 CO 0.51 0.08 -0.06 0.54 0.02 0.00 0.00 175.26 176.35 2ha1 s VAL 6 N 0.88 0.41 0.23 2.63 0.11 -1.26 0.27 120.40 123.65 2ha1 s VAL 6 Ca 0.03 -0.54 -0.13 0.00 -2.93 0.00 0.00 61.98 58.40 2ha1 s VAL 6 Cb -0.14 -0.41 0.00 0.00 -1.53 0.00 0.00 36.38 34.31 2ha1 s VAL 6 CO 0.02 -0.10 0.46 0.72 -3.33 0.00 0.00 175.10 172.87 2ha1 s PHE 7 N -0.63 0.26 -0.15 1.54 -0.12 -0.98 -5.01 117.98 112.90 2ha1 s PHE 7 Ca -0.03 -0.63 -0.03 0.00 -0.05 0.00 0.00 56.93 56.19 2ha1 s PHE 7 Cb -0.05 0.20 -0.03 0.00 -0.63 0.00 0.00 43.02 42.51 2ha1 s PHE 7 CO -0.00 -0.94 -0.04 0.42 -0.05 0.00 0.00 175.22 174.61 2ha1 s ILE 8 N -3.98 3.91 0.09 -4.49 1.01 -1.26 -3.60 121.20 112.88 2ha1 s ILE 8 Ca 0.19 -0.36 -0.02 0.00 0.00 0.00 0.00 60.65 60.46 2ha1 s ILE 8 Cb -0.00 -2.70 -0.03 0.00 0.01 0.00 0.00 42.46 39.73 2ha1 s ILE 8 CO 0.05 0.51 0.05 0.42 0.00 0.00 0.00 174.94 175.97 2ha1 s THR 9 N 0.21 0.16 -0.24 2.92 -4.23 -1.26 -4.83 115.64 108.36 2ha1 s THR 9 Ca -0.02 -1.75 -0.03 0.00 -1.18 0.00 0.00 61.69 58.71 2ha1 s THR 9 Cb -0.14 -1.71 0.03 0.00 1.34 0.00 0.00 72.50 72.02 2ha1 s THR 9 CO 0.03 -0.72 0.08 1.21 -0.54 0.00 0.00 174.62 174.67 2ha1 n GLU 10 N -0.00 -2.32 -3.37 3.99 2.13 -1.26 -4.76 120.64 115.04 2ha1 n GLU 10 Ca -0.11 0.02 -0.27 0.00 0.66 0.00 0.00 57.16 57.47 2ha1 n GLU 10 Cb 0.62 -3.65 -0.08 0.00 0.27 0.00 0.00 31.44 28.60 2ha1 n GLU 10 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2ha1 n THR 11 N -2.23 2.03 0.24 6.31 -2.24 -1.26 -4.89 114.28 112.23 2ha1 n THR 11 Ca 0.02 -5.10 0.07 0.00 -2.27 0.00 0.00 64.05 56.77 2ha1 n THR 11 Cb 0.40 -2.05 0.56 0.00 -2.10 0.00 0.00 70.33 67.14 2ha1 n THR 11 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2ha1 h PRO 12 N 4.10 0.00 0.00 -0.78 0.13 -2.00 -3.46 132.00 129.99 2ha1 h PRO 12 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2ha1 h PRO 12 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 2ha1 h PRO 12 CO 0.79 0.15 0.00 0.43 -0.23 0.00 0.00 178.00 179.14 2ha1 n SER 13 N -4.25 0.00 -4.38 1.44 7.64 -1.26 -5.01 113.62 107.80 2ha1 n SER 13 Ca -0.02 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.64 2ha1 n SER 13 Cb 0.22 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.31 2ha1 n SER 13 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2ha1 s GLN 14 N -1.85 1.42 -0.06 1.43 1.11 -1.09 -4.88 119.66 115.74 2ha1 s GLN 14 Ca 0.00 -1.58 -0.01 0.00 0.01 0.00 0.00 55.36 53.78 2ha1 s GLN 14 Cb 0.00 -1.39 -0.00 0.00 -1.01 0.00 0.00 33.01 30.60 2ha1 s GLN 14 CO 0.00 0.26 -0.02 -1.00 0.01 0.00 0.00 175.29 174.54 2ha1 h PRO 15 N 2.71 0.00 0.00 2.91 0.13 -1.85 -2.52 132.00 133.39 2ha1 h PRO 15 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2ha1 h PRO 15 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2ha1 h PRO 15 CO 0.58 0.00 -1.53 0.09 -0.23 0.00 0.00 178.00 176.91 2ha1 n ASN 16 N -3.61 2.05 -4.74 1.44 3.02 -1.26 -3.53 115.26 108.63 2ha1 n ASN 16 Ca -0.01 -0.04 -0.29 0.00 -0.03 0.00 0.00 54.58 54.22 2ha1 n ASN 16 Cb 0.03 1.55 -0.07 0.00 -0.61 0.00 0.00 39.78 40.68 2ha1 n ASN 16 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2ha1 s SER 17 N -3.39 5.25 -0.28 6.41 0.01 -1.26 -0.08 113.70 120.36 2ha1 s SER 17 Ca -0.04 -0.15 0.02 0.00 1.31 0.00 0.00 55.95 57.09 2ha1 s SER 17 Cb 0.08 -1.31 0.17 0.00 0.21 0.00 0.00 66.02 65.17 2ha1 s SER 17 CO 0.52 0.13 0.48 -2.28 0.41 0.00 0.00 173.24 172.51 2ha1 s HIS 18 N -1.51 -1.30 0.30 2.43 2.46 0.40 -4.35 115.29 113.71 2ha1 s HIS 18 Ca 0.28 0.81 -0.22 0.00 0.47 0.00 0.00 55.06 56.40 2ha1 s HIS 18 Cb -0.11 0.10 -0.09 0.00 -0.13 0.00 0.00 32.58 32.35 2ha1 s HIS 18 CO 0.21 -0.96 0.84 -1.25 -2.47 0.00 0.00 174.74 171.11 2ha1 s PRO 19 N 2.67 4.36 0.27 2.88 0.04 -1.26 -1.58 135.00 142.37 2ha1 s PRO 19 Ca 0.12 1.07 0.03 0.00 0.04 0.00 0.00 61.00 62.26 2ha1 s PRO 19 Cb -0.13 -2.72 -0.06 0.00 0.04 0.00 0.00 34.50 31.64 2ha1 s PRO 19 CO -0.25 0.28 0.04 0.96 0.04 0.00 0.00 177.00 178.06 2ha1 s ILE 20 N -1.68 0.99 -0.03 0.56 -4.36 -1.24 -4.83 121.20 110.61 2ha1 s ILE 20 Ca 0.49 -2.02 -0.14 0.00 -0.26 0.00 0.00 60.65 58.73 2ha1 s ILE 20 Cb -0.16 -2.55 0.02 0.00 1.25 0.00 0.00 42.46 41.02 2ha1 s ILE 20 CO 0.21 -0.15 0.30 -1.10 0.24 0.00 0.00 174.94 174.44 2ha1 s GLN 21 N -3.91 0.60 0.05 0.37 -0.21 -1.24 -2.17 119.66 113.15 2ha1 s GLN 21 Ca 0.33 -0.08 -0.04 0.00 0.02 0.00 0.00 55.36 55.60 2ha1 s GLN 21 Cb 0.07 0.27 -0.02 0.00 1.00 0.00 0.00 33.01 34.32 2ha1 s GLN 21 CO 0.12 -0.15 0.05 1.67 -2.12 0.00 0.00 175.29 174.85 2ha1 s TRP 22 N -1.03 0.33 0.14 0.91 -2.14 -0.84 -2.31 118.94 114.00 2ha1 s TRP 22 Ca -0.11 -0.75 0.07 0.00 2.66 0.00 0.00 56.10 57.96 2ha1 s TRP 22 Cb -0.05 -0.24 -0.04 0.00 -3.10 0.00 0.00 33.47 30.05 2ha1 s TRP 22 CO 0.03 -0.38 -0.15 -0.80 -2.66 0.00 0.00 176.95 172.99 2ha1 s ASN 23 N -2.50 2.22 0.32 -2.66 0.01 0.75 -4.73 114.94 108.34 2ha1 s ASN 23 Ca 0.00 -0.84 0.03 0.00 -0.71 0.00 0.00 52.86 51.34 2ha1 s ASN 23 Cb 0.03 -0.09 -0.04 0.00 0.41 0.00 0.00 41.25 41.55 2ha1 s ASN 23 CO -0.07 -0.12 0.11 0.00 -1.51 0.00 0.00 177.10 175.51 2ha1 s ALA 24 N -2.21 2.17 1.08 0.60 0.00 -1.26 -1.58 121.76 120.56 2ha1 s ALA 24 Ca 0.12 -1.75 -0.17 0.00 0.00 0.00 0.00 51.96 50.15 2ha1 s ALA 24 Cb -0.05 0.94 0.12 0.00 0.00 0.00 0.00 23.12 24.13 2ha1 s ALA 24 CO 0.04 -0.42 0.05 -2.30 0.00 0.00 0.00 175.76 173.14 2ha1 n PRO 25 N -0.64 -1.90 -0.08 0.00 -0.02 -1.26 -4.96 135.00 126.14 2ha1 n PRO 25 Ca -0.01 -0.55 -0.15 0.00 -2.02 0.00 0.00 63.50 60.77 2ha1 n PRO 25 Cb 0.66 -1.56 -0.11 0.00 -0.02 0.00 0.00 33.50 32.46 2ha1 n PRO 25 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2ha1 h GLN 26 N -2.32 0.00 -7.14 -0.52 4.20 -2.02 -3.47 115.11 103.84 2ha1 h GLN 26 Ca -0.40 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 57.78 2ha1 h GLN 26 Cb 1.11 0.00 0.13 0.00 0.30 0.00 0.00 27.48 29.02 2ha1 h GLN 26 CO 0.27 0.90 0.43 -2.14 -0.67 0.00 0.00 178.83 177.61 2ha1 s PRO 27 N -2.21 2.62 0.00 1.46 0.02 -1.26 -4.78 135.00 130.84 2ha1 s PRO 27 Ca -0.20 1.74 -0.00 0.00 0.02 0.00 0.00 61.00 62.55 2ha1 s PRO 27 Cb -0.00 -1.89 -0.01 0.00 0.02 0.00 0.00 34.50 32.61 2ha1 s PRO 27 CO 0.60 -1.46 0.52 -1.13 -0.33 0.00 0.00 177.00 175.19 2ha1 n SER 28 N -2.16 0.98 -0.24 2.53 3.41 -1.26 -4.06 113.62 112.82 2ha1 n SER 28 Ca 0.13 -1.35 -0.07 0.00 -0.26 0.00 0.00 58.87 57.32 2ha1 n SER 28 Cb 0.50 -0.22 0.04 0.00 -0.26 0.00 0.00 64.21 64.27 2ha1 n SER 28 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 2ha1 h HIS 29 N 3.88 1.03 -3.55 7.33 6.17 -1.91 -3.42 115.15 124.68 2ha1 h HIS 29 Ca 0.01 -0.09 -0.67 0.00 0.71 0.00 0.00 60.37 60.32 2ha1 h HIS 29 Cb 0.20 -0.30 -0.19 0.00 2.52 0.00 0.00 27.41 29.64 2ha1 h HIS 29 CO 0.60 0.82 -0.68 0.42 0.71 0.00 0.00 177.93 179.79 2ha1 s ILE 30 N -5.49 3.78 0.00 6.26 1.01 -1.26 -4.69 121.20 120.82 2ha1 s ILE 30 Ca -0.13 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.09 2ha1 s ILE 30 Cb 0.14 -2.57 0.00 0.00 0.01 0.00 0.00 42.46 40.04 2ha1 s ILE 30 CO 0.82 0.58 0.00 -1.20 0.00 0.00 0.00 174.94 175.13 2ha1 n SER 31 N 2.50 0.00 -4.85 3.58 7.64 -0.57 -5.01 113.62 116.90 2ha1 n SER 31 Ca -0.18 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.37 2ha1 n SER 31 Cb 0.53 -0.23 -0.06 0.00 -1.01 0.00 0.00 64.21 63.44 2ha1 n SER 31 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2ha1 s LYS 32 N -0.71 3.96 -0.13 1.43 1.02 -0.76 -3.18 119.74 121.37 2ha1 s LYS 32 Ca 0.00 0.53 0.02 0.00 0.02 0.00 0.00 55.97 56.54 2ha1 s LYS 32 Cb 0.00 -2.64 0.01 0.00 -0.52 0.00 0.00 37.83 34.68 2ha1 s LYS 32 CO 0.00 0.29 -0.20 0.71 -0.92 0.00 0.00 175.35 175.24 2ha1 s TYR 33 N -1.78 2.43 -0.07 3.18 2.02 -0.76 -1.17 117.35 121.19 2ha1 s TYR 33 Ca 0.48 -1.21 0.05 0.00 -0.37 0.00 0.00 57.07 56.01 2ha1 s TYR 33 Cb -0.12 -1.68 -0.01 0.00 -0.40 0.00 0.00 41.96 39.74 2ha1 s TYR 33 CO 0.19 -0.57 -0.21 0.42 -1.57 0.00 0.00 175.55 173.81 2ha1 s ILE 34 N 0.90 2.37 -0.11 2.71 1.01 0.14 0.69 121.20 128.90 2ha1 s ILE 34 Ca -0.06 -0.95 0.04 0.00 0.00 0.00 0.00 60.65 59.68 2ha1 s ILE 34 Cb -0.15 -1.90 0.00 0.00 0.01 0.00 0.00 42.46 40.42 2ha1 s ILE 34 CO -0.02 0.57 -0.23 -0.76 0.00 0.00 0.00 174.94 174.49 2ha1 s LEU 35 N -0.13 2.09 -0.01 2.97 1.43 -0.35 -0.12 118.68 124.56 2ha1 s LEU 35 Ca -0.04 -0.57 0.03 0.00 -1.03 0.00 0.00 54.13 52.52 2ha1 s LEU 35 Cb -0.14 -1.42 -0.01 0.00 0.03 0.00 0.00 46.19 44.66 2ha1 s LEU 35 CO 0.04 0.14 -0.11 0.00 0.23 0.00 0.00 176.35 176.64 2ha1 s ARG 36 N 0.48 0.98 0.12 1.70 1.70 -0.48 -0.26 118.95 123.18 2ha1 s ARG 36 Ca -0.16 -0.40 -0.06 0.00 -0.47 0.00 0.00 55.73 54.64 2ha1 s ARG 36 Cb -0.17 -0.93 -0.02 0.00 -0.57 0.00 0.00 34.95 33.26 2ha1 s ARG 36 CO 0.06 0.22 0.18 1.67 -1.08 0.00 0.00 175.30 176.35 2ha1 s TRP 37 N -0.17 0.43 -0.27 5.89 -2.14 -0.32 0.41 118.94 122.76 2ha1 s TRP 37 Ca 0.03 -0.83 -0.25 0.00 2.66 0.00 0.00 56.10 57.71 2ha1 s TRP 37 Cb -0.05 -0.17 0.07 0.00 -3.10 0.00 0.00 33.47 30.21 2ha1 s TRP 37 CO -0.00 -0.59 0.74 -0.98 -2.66 0.00 0.00 176.95 173.45 2ha1 s ARG 38 N -3.95 0.82 -0.12 3.25 1.70 -0.32 -1.82 118.95 118.50 2ha1 s ARG 38 Ca 0.14 0.99 -0.29 0.00 -0.47 0.00 0.00 55.73 56.09 2ha1 s ARG 38 Cb 0.05 0.39 -0.06 0.00 -0.57 0.00 0.00 34.95 34.77 2ha1 s ARG 38 CO -0.04 -0.10 1.91 -1.25 -1.08 0.00 0.00 175.30 174.74 2ha1 s PRO 39 N 0.42 3.74 -0.45 3.89 0.04 -1.26 -1.03 135.00 140.35 2ha1 s PRO 39 Ca -0.00 2.12 -0.10 0.00 0.04 0.00 0.00 61.00 63.05 2ha1 s PRO 39 Cb -0.05 -4.17 -0.11 0.00 0.04 0.00 0.00 34.50 30.21 2ha1 s PRO 39 CO -0.00 -1.39 1.50 1.17 0.04 0.00 0.00 177.00 178.31 2ha1 n LYS 40 N 7.91 0.05 0.00 4.56 4.81 -0.14 -3.26 118.16 132.09 2ha1 n LYS 40 Ca 0.22 -0.57 0.00 0.00 -0.87 0.00 0.00 58.31 57.09 2ha1 n LYS 40 Cb 0.44 -2.04 0.00 0.00 0.02 0.00 0.00 35.03 33.45 2ha1 n LYS 40 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2ha1 n ASN 41 N 10.06 0.00 -3.52 3.14 5.03 -1.26 -4.90 115.26 123.82 2ha1 n ASN 41 Ca 0.20 0.00 -0.13 0.00 0.87 0.00 0.00 54.58 55.52 2ha1 n ASN 41 Cb 0.46 0.00 -0.04 0.00 -1.02 0.00 0.00 39.78 39.18 2ha1 n ASN 41 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 2ha1 s SER 42 N -0.06 -0.47 -0.19 6.41 1.04 -1.20 -5.05 113.70 114.18 2ha1 s SER 42 Ca 0.00 0.04 0.13 0.00 0.48 0.00 0.00 55.95 56.60 2ha1 s SER 42 Cb 0.00 0.54 0.39 0.00 0.10 0.00 0.00 66.02 67.05 2ha1 s SER 42 CO 0.00 -0.85 1.20 1.33 0.98 0.00 0.00 173.24 175.91 2ha1 n VAL 43 N -0.03 2.10 0.00 5.02 0.24 -1.26 -4.84 118.33 119.56 2ha1 n VAL 43 Ca -0.17 -2.99 0.00 0.00 -2.04 0.00 0.00 64.34 59.13 2ha1 n VAL 43 Cb 0.63 -0.22 0.00 0.00 -1.47 0.00 0.00 33.84 32.78 2ha1 n VAL 43 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2ha1 n GLY 44 N -1.16 -0.07 3.46 7.63 0.00 -1.26 -5.04 105.19 108.76 2ha1 n GLY 44 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 2ha1 n GLY 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ha1 s ARG 45 N -0.42 1.67 0.00 1.61 0.52 -1.26 -5.13 118.95 115.94 2ha1 s ARG 45 Ca 0.00 -1.35 0.00 0.00 -0.52 0.00 0.00 55.73 53.86 2ha1 s ARG 45 Cb 0.00 -1.99 0.00 0.00 0.52 0.00 0.00 34.95 33.48 2ha1 s ARG 45 CO 0.00 0.44 0.00 -2.67 0.02 0.00 0.00 175.30 173.09 2ha1 n TRP 46 N 0.48 -0.88 -4.17 -0.53 4.27 -1.26 -4.95 117.44 110.40 2ha1 n TRP 46 Ca -0.14 0.00 -0.30 0.00 -3.89 0.00 0.00 57.50 53.17 2ha1 n TRP 46 Cb 0.54 0.00 -0.09 0.00 -1.36 0.00 0.00 31.31 30.41 2ha1 n TRP 46 CO 0.00 0.00 0.00 0.15 -2.29 0.00 0.00 177.69 175.55 2ha1 s LYS 47 N -1.75 2.42 0.04 -2.67 1.02 -0.76 -5.02 119.74 113.03 2ha1 s LYS 47 Ca 0.00 -0.89 -0.02 0.00 0.02 0.00 0.00 55.97 55.08 2ha1 s LYS 47 Cb 0.00 -2.47 -0.03 0.00 -0.52 0.00 0.00 37.83 34.81 2ha1 s LYS 47 CO 0.00 0.53 0.01 -1.83 -0.92 0.00 0.00 175.35 173.14 2ha1 s GLU 48 N -2.24 0.54 0.10 1.68 -1.05 -1.26 -1.18 118.70 115.29 2ha1 s GLU 48 Ca 0.24 -0.96 -0.16 0.00 -0.15 0.00 0.00 54.97 53.93 2ha1 s GLU 48 Cb -0.11 0.20 0.03 0.00 -0.44 0.00 0.00 34.13 33.81 2ha1 s GLU 48 CO 0.16 -0.11 0.40 0.00 0.95 0.00 0.00 175.26 176.66 2ha1 s ALA 49 N -3.05 -0.93 -0.08 -0.84 0.00 0.64 -4.98 121.76 112.52 2ha1 s ALA 49 Ca -0.01 0.04 0.03 0.00 0.00 0.00 0.00 51.96 52.02 2ha1 s ALA 49 Cb 0.02 0.58 -0.02 0.00 0.00 0.00 0.00 23.12 23.69 2ha1 s ALA 49 CO -0.07 -0.58 -0.16 0.99 0.00 0.00 0.00 175.76 175.94 2ha1 s THR 50 N -3.39 2.87 -0.12 0.00 2.01 -1.26 -1.21 115.64 114.54 2ha1 s THR 50 Ca 0.00 -0.77 0.01 0.00 0.31 0.00 0.00 61.69 61.24 2ha1 s THR 50 Cb 0.01 -2.14 0.02 0.00 0.01 0.00 0.00 72.50 70.40 2ha1 s THR 50 CO -0.09 0.56 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.65 2ha1 s ILE 51 N -0.25 1.36 0.62 1.82 1.09 0.22 -4.97 121.20 121.09 2ha1 s ILE 51 Ca 0.01 -0.52 -0.17 0.00 -1.10 0.00 0.00 60.65 58.86 2ha1 s ILE 51 Cb -0.13 -1.29 -0.10 0.00 -1.06 0.00 0.00 42.46 39.88 2ha1 s ILE 51 CO 0.03 0.42 0.24 -2.65 -0.10 0.00 0.00 174.94 172.88 2ha1 n PRO 52 N 4.62 0.27 0.30 2.79 -0.02 -1.26 -1.83 135.00 139.87 2ha1 n PRO 52 Ca -0.17 0.11 0.17 0.00 -2.02 0.00 0.00 63.50 61.60 2ha1 n PRO 52 Cb 0.50 -1.48 0.95 0.00 -0.02 0.00 0.00 33.50 33.45 2ha1 n PRO 52 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2ha1 h GLY 53 N -0.09 0.00 1.73 -1.23 0.00 -1.91 -2.03 103.07 99.54 2ha1 h GLY 53 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 2ha1 h GLY 53 CO 0.43 0.00 -0.23 1.12 0.00 0.00 0.00 176.54 177.86 2ha1 h HIS 54 N 0.00 0.00 -3.14 5.60 2.07 -1.88 -3.45 115.15 114.35 2ha1 h HIS 54 Ca -0.00 0.00 -0.59 0.00 -2.85 0.00 0.00 60.37 56.93 2ha1 h HIS 54 Cb 0.12 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 30.05 2ha1 h HIS 54 CO 0.00 0.00 -0.13 -0.51 -3.07 0.00 0.00 177.93 174.22 2ha1 s LEU 55 N -5.08 4.47 -0.05 6.12 1.43 -0.76 -4.97 118.68 119.83 2ha1 s LEU 55 Ca 0.07 1.05 0.07 0.00 -1.03 0.00 0.00 54.13 54.30 2ha1 s LEU 55 Cb 0.10 -2.72 0.11 0.00 0.03 0.00 0.00 46.19 43.71 2ha1 s LEU 55 CO 0.66 0.26 1.03 -0.46 0.23 0.00 0.00 176.35 178.07 2ha1 n ASN 56 N 2.07 1.97 -3.75 2.29 6.94 -1.26 -4.82 115.26 118.70 2ha1 n ASN 56 Ca -0.12 -2.35 -0.13 0.00 -0.02 0.00 0.00 54.58 51.96 2ha1 n ASN 56 Cb 0.52 -0.16 -0.10 0.00 -2.36 0.00 0.00 39.78 37.67 2ha1 n ASN 56 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 2ha1 s SER 57 N -1.64 -0.32 0.00 0.53 1.04 -1.26 -1.99 113.70 110.06 2ha1 s SER 57 Ca 0.12 0.51 0.00 0.00 0.48 0.00 0.00 55.95 57.06 2ha1 s SER 57 Cb 0.10 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.81 2ha1 s SER 57 CO 0.01 -0.24 0.00 0.00 0.98 0.00 0.00 173.24 173.99 2ha1 n TYR 58 N 2.32 -0.73 -3.68 5.02 9.36 -0.92 -5.01 117.16 123.51 2ha1 n TYR 58 Ca -0.16 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 60.96 2ha1 n TYR 58 Cb 0.57 0.00 -0.10 0.00 -0.63 0.00 0.00 39.34 39.18 2ha1 n TYR 58 CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 2ha1 s THR 59 N -0.38 -0.28 -0.18 2.97 -1.32 -1.26 -3.61 115.64 111.59 2ha1 s THR 59 Ca 0.00 0.13 -0.01 0.00 -1.21 0.00 0.00 61.69 60.59 2ha1 s THR 59 Cb 0.00 -0.63 -0.00 0.00 -1.51 0.00 0.00 72.50 70.35 2ha1 s THR 59 CO 0.00 0.05 -0.11 -0.63 -2.21 0.00 0.00 174.62 171.72 2ha1 s ILE 60 N 1.90 2.91 0.25 5.08 1.01 -0.62 -4.98 121.20 126.76 2ha1 s ILE 60 Ca -0.06 -0.67 0.07 0.00 0.00 0.00 0.00 60.65 59.98 2ha1 s ILE 60 Cb -0.10 -2.27 -0.05 0.00 0.01 0.00 0.00 42.46 40.05 2ha1 s ILE 60 CO -0.13 0.49 -0.08 -0.54 0.00 0.00 0.00 174.94 174.68 2ha1 s LYS 61 N 1.07 1.46 0.00 2.79 1.02 -1.26 0.15 119.74 124.97 2ha1 s LYS 61 Ca -0.00 -1.71 0.00 0.00 0.02 0.00 0.00 55.97 54.28 2ha1 s LYS 61 Cb -0.15 -1.09 0.00 0.00 -0.52 0.00 0.00 37.83 36.07 2ha1 s LYS 61 CO -0.03 0.07 0.00 0.41 -0.92 0.00 0.00 175.35 174.89 2ha1 n GLY 62 N -0.50 0.55 3.85 -3.33 0.00 -0.54 -4.96 105.19 100.26 2ha1 n GLY 62 Ca -0.06 -0.73 -0.32 0.00 0.00 0.00 0.00 46.02 44.91 2ha1 n GLY 62 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ha1 s LEU 63 N 0.00 3.40 -0.16 0.99 1.43 0.88 -5.05 118.68 120.17 2ha1 s LEU 63 Ca 0.00 1.53 -0.09 0.00 -1.03 0.00 0.00 54.13 54.54 2ha1 s LEU 63 Cb 0.00 -4.49 -0.05 0.00 0.03 0.00 0.00 46.19 41.68 2ha1 s LEU 63 CO 0.00 -0.83 0.16 -0.54 0.23 0.00 0.00 176.35 175.36 2ha1 s LYS 64 N -4.62 3.91 0.41 1.70 1.02 -1.26 -4.21 119.74 116.69 2ha1 s LYS 64 Ca 0.58 -0.14 -0.25 0.00 0.02 0.00 0.00 55.97 56.17 2ha1 s LYS 64 Cb -0.11 -3.33 -0.08 0.00 -0.52 0.00 0.00 37.83 33.79 2ha1 s LYS 64 CO 0.43 0.49 1.23 -1.25 -0.92 0.00 0.00 175.35 175.33 2ha1 s PRO 65 N -0.19 3.97 -1.01 -1.68 0.04 -1.23 -2.99 135.00 131.90 2ha1 s PRO 65 Ca 0.12 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.15 2ha1 s PRO 65 Cb -0.12 -2.68 0.00 0.00 0.04 0.00 0.00 34.50 31.74 2ha1 s PRO 65 CO 0.01 -0.44 0.00 0.41 0.04 0.00 0.00 177.00 177.02 2ha1 n GLY 66 N 0.65 0.48 3.30 0.56 0.00 0.29 -4.99 105.19 105.49 2ha1 n GLY 66 Ca 0.04 -0.48 -0.17 0.00 0.00 0.00 0.00 46.02 45.41 2ha1 n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ha1 s VAL 67 N -2.48 1.53 -0.03 1.61 0.11 -1.10 -4.99 120.40 115.06 2ha1 s VAL 67 Ca 0.00 -2.07 0.06 0.00 -2.93 0.00 0.00 61.98 57.04 2ha1 s VAL 67 Cb 0.00 -1.90 -0.02 0.00 -1.53 0.00 0.00 36.38 32.93 2ha1 s VAL 67 CO 0.00 -0.59 -0.20 0.54 -3.33 0.00 0.00 175.10 171.52 2ha1 s VAL 68 N -2.86 2.54 -0.04 2.04 0.11 -1.26 -0.76 120.40 120.16 2ha1 s VAL 68 Ca 0.18 -0.92 0.06 0.00 -2.93 0.00 0.00 61.98 58.37 2ha1 s VAL 68 Cb -0.01 -1.94 -0.01 0.00 -1.53 0.00 0.00 36.38 32.89 2ha1 s VAL 68 CO 0.05 0.59 -0.22 -0.31 -3.33 0.00 0.00 175.10 171.87 2ha1 s TYR 69 N -0.67 2.10 -0.18 1.54 2.02 -0.52 -0.97 117.35 120.69 2ha1 s TYR 69 Ca 0.11 -0.56 -0.11 0.00 -0.37 0.00 0.00 57.07 56.14 2ha1 s TYR 69 Cb -0.10 -1.38 -0.05 0.00 -0.40 0.00 0.00 41.96 40.03 2ha1 s TYR 69 CO -0.00 -0.15 0.17 -1.83 -1.57 0.00 0.00 175.55 172.17 2ha1 s GLU 70 N -0.19 4.13 0.18 -0.62 -1.05 -0.19 -1.54 118.70 119.41 2ha1 s GLU 70 Ca -0.01 -0.13 0.10 0.00 -0.15 0.00 0.00 54.97 54.79 2ha1 s GLU 70 Cb -0.12 -3.40 -0.04 0.00 -0.44 0.00 0.00 34.13 30.13 2ha1 s GLU 70 CO 0.02 0.34 -0.23 0.20 0.95 0.00 0.00 175.26 176.54 2ha1 s GLY 71 N 0.24 1.59 -0.00 -3.83 0.00 0.22 -1.18 107.32 104.37 2ha1 s GLY 71 Ca 0.11 -1.57 0.02 0.00 0.00 0.00 0.00 44.72 43.28 2ha1 s GLY 71 CO 0.00 -1.59 -0.07 1.20 0.00 0.00 0.00 173.10 172.64 2ha1 s GLN 72 N -2.60 0.55 -0.21 2.90 -0.21 0.17 0.51 119.66 120.76 2ha1 s GLN 72 Ca 0.18 -0.29 -0.01 0.00 0.02 0.00 0.00 55.36 55.26 2ha1 s GLN 72 Cb -0.08 -0.51 0.01 0.00 1.00 0.00 0.00 33.01 33.43 2ha1 s GLN 72 CO 0.08 0.14 -0.11 -1.17 -2.12 0.00 0.00 175.29 172.11 2ha1 s LEU 73 N -0.29 2.67 -0.15 2.90 2.96 0.21 -1.38 118.68 125.59 2ha1 s LEU 73 Ca 0.02 -0.60 -0.02 0.00 -0.22 0.00 0.00 54.13 53.31 2ha1 s LEU 73 Cb -0.03 -1.62 -0.02 0.00 0.50 0.00 0.00 46.19 45.02 2ha1 s LEU 73 CO -0.00 -0.04 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.27 2ha1 s ILE 74 N 1.37 3.34 -0.22 6.68 1.01 0.83 0.61 121.20 134.82 2ha1 s ILE 74 Ca 0.04 -0.55 -0.04 0.00 0.00 0.00 0.00 60.65 60.09 2ha1 s ILE 74 Cb -0.14 -2.43 -0.01 0.00 0.01 0.00 0.00 42.46 39.88 2ha1 s ILE 74 CO -0.07 0.51 -0.03 -0.94 0.00 0.00 0.00 174.94 174.41 2ha1 s SER 75 N 0.46 4.46 0.01 3.58 1.04 0.64 0.23 113.70 124.12 2ha1 s SER 75 Ca -0.07 -0.34 -0.00 0.00 0.48 0.00 0.00 55.95 56.01 2ha1 s SER 75 Cb -0.15 -1.77 -0.04 0.00 0.10 0.00 0.00 66.02 64.16 2ha1 s SER 75 CO 0.04 -0.01 0.10 -0.63 0.98 0.00 0.00 173.24 173.73 2ha1 s ILE 76 N 1.40 4.85 0.15 -1.02 1.09 -0.32 -1.31 121.20 126.03 2ha1 s ILE 76 Ca 0.05 -0.42 0.05 0.00 -1.10 0.00 0.00 60.65 59.23 2ha1 s ILE 76 Cb -0.14 -3.25 -0.04 0.00 -1.06 0.00 0.00 42.46 37.97 2ha1 s ILE 76 CO -0.01 0.30 0.11 -1.10 -0.10 0.00 0.00 174.94 174.14 2ha1 s GLN 77 N -1.90 2.85 -0.82 2.79 -0.21 -0.61 -1.52 119.66 120.25 2ha1 s GLN 77 Ca 0.25 -0.85 -0.07 0.00 0.02 0.00 0.00 55.36 54.70 2ha1 s GLN 77 Cb -0.12 -2.64 -0.28 0.00 1.00 0.00 0.00 33.01 30.97 2ha1 s GLN 77 CO 0.17 0.50 1.90 1.04 -2.12 0.00 0.00 175.29 176.77 2ha1 n GLN 78 N -0.17 0.00 -3.00 2.91 6.02 -1.26 -0.58 117.38 121.30 2ha1 n GLN 78 Ca -0.08 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.79 2ha1 n GLN 78 Cb 0.54 -0.96 -0.02 0.00 1.02 0.00 0.00 30.24 30.83 2ha1 n GLN 78 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2ha1 n TYR 79 N 5.12 -1.77 0.00 1.08 4.01 -1.26 -4.80 117.16 119.55 2ha1 n TYR 79 Ca 0.56 0.18 0.00 0.00 -0.16 0.00 0.00 57.90 58.48 2ha1 n TYR 79 Cb 0.18 -1.42 0.00 0.00 -0.31 0.00 0.00 39.34 37.79 2ha1 n TYR 79 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2ha1 n GLY 80 N -0.68 1.29 3.94 2.72 0.00 0.25 -5.13 105.19 107.58 2ha1 n GLY 80 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 2ha1 n GLY 80 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2ha1 s HIS 81 N 2.73 1.70 -0.01 1.61 3.76 -1.26 -4.80 115.29 119.01 2ha1 s HIS 81 Ca 0.00 0.28 -0.12 0.00 -0.15 0.00 0.00 55.06 55.06 2ha1 s HIS 81 Cb 0.00 -3.94 0.02 0.00 1.11 0.00 0.00 32.58 29.76 2ha1 s HIS 81 CO 0.00 -2.47 0.26 -0.65 -0.85 0.00 0.00 174.74 171.03 2ha1 s GLN 82 N -5.78 0.60 0.01 1.40 -0.21 -1.26 -1.57 119.66 112.85 2ha1 s GLN 82 Ca 0.72 -0.23 0.00 0.00 0.02 0.00 0.00 55.36 55.88 2ha1 s GLN 82 Cb -0.05 0.26 -0.01 0.00 1.00 0.00 0.00 33.01 34.22 2ha1 s GLN 82 CO 0.52 -0.16 -0.02 -2.00 -2.12 0.00 0.00 175.29 171.50 2ha1 s GLU 83 N -1.28 0.22 -0.03 2.91 2.56 -0.43 -3.20 118.70 119.45 2ha1 s GLU 83 Ca -0.13 -0.32 0.04 0.00 0.00 0.00 0.00 54.97 54.55 2ha1 s GLU 83 Cb -0.06 -0.03 -0.00 0.00 2.00 0.00 0.00 34.13 36.04 2ha1 s GLU 83 CO 0.03 -0.00 -0.15 0.54 -0.56 0.00 0.00 175.26 175.13 2ha1 s VAL 84 N -0.69 1.22 0.00 3.70 0.11 -1.26 -0.26 120.40 123.22 2ha1 s VAL 84 Ca -0.07 -0.61 0.07 0.00 -2.93 0.00 0.00 61.98 58.44 2ha1 s VAL 84 Cb -0.05 -1.05 -0.02 0.00 -1.53 0.00 0.00 36.38 33.73 2ha1 s VAL 84 CO -0.00 0.36 -0.21 -0.89 -3.33 0.00 0.00 175.10 171.03 2ha1 s THR 85 N 0.03 1.66 -0.04 5.04 2.01 0.20 -4.55 115.64 119.99 2ha1 s THR 85 Ca -0.02 -0.98 0.06 0.00 0.31 0.00 0.00 61.69 61.05 2ha1 s THR 85 Cb -0.10 -1.40 -0.02 0.00 0.01 0.00 0.00 72.50 70.99 2ha1 s THR 85 CO 0.01 0.39 -0.21 -0.60 -0.69 0.00 0.00 174.62 173.53 2ha1 s ARG 86 N -0.69 2.38 0.17 4.92 3.52 -1.26 0.67 118.95 128.66 2ha1 s ARG 86 Ca 0.08 -0.83 -0.14 0.00 -0.13 0.00 0.00 55.73 54.71 2ha1 s ARG 86 Cb -0.08 -2.21 0.01 0.00 -1.56 0.00 0.00 34.95 31.11 2ha1 s ARG 86 CO -0.00 0.54 0.41 -0.59 -0.81 0.00 0.00 175.30 174.85 2ha1 s PHE 87 N -0.54 0.07 0.01 5.12 -0.71 0.18 -4.98 117.98 117.13 2ha1 s PHE 87 Ca 0.07 -0.42 -0.08 0.00 -1.04 0.00 0.00 56.93 55.47 2ha1 s PHE 87 Cb -0.11 0.20 0.00 0.00 -1.21 0.00 0.00 43.02 41.90 2ha1 s PHE 87 CO 0.01 -0.81 0.15 0.16 -1.34 0.00 0.00 175.22 173.39 2ha1 s ASP 88 N -2.90 0.04 0.26 1.98 1.47 -1.26 0.73 116.67 116.99 2ha1 s ASP 88 Ca 0.11 -0.27 -0.05 0.00 1.18 0.00 0.00 52.55 53.52 2ha1 s ASP 88 Cb 0.01 0.23 -0.02 0.00 -0.34 0.00 0.00 42.92 42.80 2ha1 s ASP 88 CO -0.03 -0.43 0.35 0.72 0.68 0.00 0.00 175.17 176.46 2ha1 s PHE 89 N -1.78 0.89 0.29 2.11 -0.71 -0.59 -4.94 117.98 113.24 2ha1 s PHE 89 Ca -0.12 -1.14 0.11 0.00 -1.04 0.00 0.00 56.93 54.75 2ha1 s PHE 89 Cb -0.05 -0.18 -0.05 0.00 -1.21 0.00 0.00 43.02 41.53 2ha1 s PHE 89 CO -0.00 -0.91 -0.15 -0.08 -1.34 0.00 0.00 175.22 172.74 2ha1 s THR 90 N -3.79 2.62 -0.08 -4.49 -1.32 -1.26 -1.43 115.64 105.89 2ha1 s THR 90 Ca 0.31 -2.29 -0.01 0.00 -1.21 0.00 0.00 61.69 58.49 2ha1 s THR 90 Cb 0.02 -2.44 0.03 0.00 -1.51 0.00 0.00 72.50 68.60 2ha1 s THR 90 CO 0.14 -0.37 -0.03 -0.89 -2.21 0.00 0.00 174.62 171.26 2ha1 s THR 91 N -2.49 0.61 0.26 5.08 2.01 0.06 -4.90 115.64 116.27 2ha1 s THR 91 Ca 0.31 -0.05 0.06 0.00 0.31 0.00 0.00 61.69 62.31 2ha1 s THR 91 Cb -0.04 -0.70 -0.06 0.00 0.01 0.00 0.00 72.50 71.71 2ha1 s THR 91 CO 0.16 0.29 -0.05 0.42 -0.69 0.00 0.00 174.62 174.75 2ha1 s THR 92 N 1.68 1.48 0.16 -0.82 -4.23 -0.95 -0.54 115.64 112.42 2ha1 s THR 92 Ca 0.02 -2.10 0.03 0.00 -1.18 0.00 0.00 61.69 58.45 2ha1 s THR 92 Cb -0.13 -2.41 -0.05 0.00 1.34 0.00 0.00 72.50 71.25 2ha1 s THR 92 CO -0.05 -0.31 -0.04 -0.55 -0.54 0.00 0.00 174.62 173.13 2ha1 s SER 93 N -3.40 1.42 0.00 3.99 0.15 -1.26 -2.36 113.70 112.24 2ha1 s SER 93 Ca 0.29 -1.10 0.00 0.00 0.70 0.00 0.00 55.95 55.84 2ha1 s SER 93 Cb 0.04 0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.42 2ha1 s SER 93 CO 0.11 -0.48 0.83 0.35 1.20 0.00 0.00 173.24 175.25 2ha1 n THR 94 N -0.21 1.37 -0.95 6.45 -2.24 -1.26 -4.65 114.28 112.79 2ha1 n THR 94 Ca -0.08 0.38 -0.30 0.00 -2.27 0.00 0.00 64.05 61.77 2ha1 n THR 94 Cb 0.62 -1.38 0.15 0.00 -2.10 0.00 0.00 70.33 67.62 2ha1 n THR 94 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2ha1 s SER 95 N -2.66 3.15 -0.62 3.42 1.04 -1.26 -5.00 113.70 111.78 2ha1 s SER 95 Ca 0.00 1.81 0.06 0.00 0.48 0.00 0.00 55.95 58.30 2ha1 s SER 95 Cb 0.00 -2.41 0.21 0.00 0.10 0.00 0.00 66.02 63.92 2ha1 s SER 95 CO 0.00 -2.89 0.60 0.41 0.98 0.00 0.00 173.24 172.34 2ha1 n THR 96 N -4.07 1.46 -1.74 2.02 -1.04 -1.26 -5.08 114.28 104.56 2ha1 n THR 96 Ca 0.09 -4.81 -0.39 0.00 -2.04 0.00 0.00 64.05 56.90 2ha1 n THR 96 Cb 0.53 -2.08 0.04 0.00 -1.82 0.00 0.00 70.33 67.01 2ha1 n THR 96 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2ha1 n PRO 97 N 1.47 1.75 -0.63 -2.82 -0.04 -1.26 -4.93 135.00 128.53 2ha1 n PRO 97 Ca 0.25 0.64 0.01 0.00 -0.04 0.00 0.00 63.50 64.36 2ha1 n PRO 97 Cb 0.41 -2.57 0.21 0.00 -0.04 0.00 0.00 33.50 31.51 2ha1 n PRO 97 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2ha1 n VAL 98 N -0.94 2.39 -3.51 0.52 3.14 -1.26 -4.95 118.33 113.73 2ha1 n VAL 98 Ca 0.10 -2.56 -0.25 0.00 -2.96 0.00 0.00 64.34 58.66 2ha1 n VAL 98 Cb 0.44 -0.29 -0.01 0.00 -1.06 0.00 0.00 33.84 32.92 2ha1 n VAL 98 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 2ha1 n THR 99 N -1.02 -0.93 -4.53 1.55 -2.24 -1.26 -4.95 114.28 100.90 2ha1 n THR 99 Ca 0.27 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.84 2ha1 n THR 99 Cb 0.93 -1.68 -0.14 0.00 -2.10 0.00 0.00 70.33 67.33 2ha1 n THR 99 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2ha1 s SER 100 N -2.80 1.59 -0.17 3.42 0.15 -1.26 -5.14 113.70 109.49 2ha1 s SER 100 Ca 0.46 -0.30 -0.05 0.00 0.70 0.00 0.00 55.95 56.75 2ha1 s SER 100 Cb -0.24 -0.15 -0.03 0.00 -1.71 0.00 0.00 66.02 63.88 2ha1 s SER 100 CO 0.56 0.12 -0.01 0.20 1.20 0.00 0.00 173.24 175.32 2ha1 s ASN 101 N -0.56 5.03 0.22 5.45 0.01 -1.26 -5.00 114.94 118.83 2ha1 s ASN 101 Ca 0.04 -0.08 -0.07 0.00 -0.71 0.00 0.00 52.86 52.04 2ha1 s ASN 101 Cb -0.06 -1.84 0.18 0.00 0.41 0.00 0.00 41.25 39.94 2ha1 s ASN 101 CO 0.00 0.16 1.74 0.00 -1.51 0.00 0.00 177.10 177.49 2ha1 h THR 102 N 5.10 1.26 -4.03 1.60 1.03 -2.00 -3.43 112.91 112.43 2ha1 h THR 102 Ca -0.33 -0.95 -0.41 0.00 -0.01 0.00 0.00 66.41 64.71 2ha1 h THR 102 Cb 1.18 0.55 -0.26 0.00 -1.07 0.00 0.00 68.15 68.56 2ha1 h THR 102 CO 0.65 0.36 -0.78 0.54 -0.01 0.00 0.00 175.52 176.28 2ha1 s VAL 103 N -5.29 0.92 -0.04 0.00 0.11 -1.26 -5.15 120.40 109.69 2ha1 s VAL 103 Ca -0.12 -0.80 0.06 0.00 -2.93 0.00 0.00 61.98 58.19 2ha1 s VAL 103 Cb 0.15 -0.83 -0.02 0.00 -1.53 0.00 0.00 36.38 34.15 2ha1 s VAL 103 CO 0.84 0.03 -0.21 -0.89 -3.33 0.00 0.00 175.10 171.54 2ha1 s THR 104 N -0.69 2.47 -0.01 5.04 2.01 -1.26 -4.97 115.64 118.22 2ha1 s THR 104 Ca 0.01 -0.94 -0.04 0.00 0.31 0.00 0.00 61.69 61.02 2ha1 s THR 104 Cb -0.07 -1.91 0.01 0.00 0.01 0.00 0.00 72.50 70.54 2ha1 s THR 104 CO 0.01 0.58 0.19 0.61 -0.69 0.00 0.00 174.62 175.32 2ha1 n GLY 105 N 2.51 0.47 0.29 4.40 0.00 -1.26 -5.00 105.19 106.60 2ha1 n GLY 105 Ca -0.17 -0.85 0.04 0.00 0.00 0.00 0.00 46.02 45.05 2ha1 n GLY 105 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ha1 h GLU 106 N 0.00 0.43 -5.74 1.61 5.08 -2.07 -3.43 114.58 110.45 2ha1 h GLU 106 Ca -0.03 -0.03 -0.54 0.00 -1.00 0.00 0.00 59.36 57.76 2ha1 h GLU 106 Cb 0.17 -0.09 -0.14 0.00 0.50 0.00 0.00 28.75 29.19 2ha1 h GLU 106 CO 0.04 0.31 -0.70 0.95 -1.00 0.00 0.00 179.01 178.62 2ha1 s THR 107 N -5.33 1.95 -0.61 1.13 -4.23 -1.26 -5.10 115.64 102.19 2ha1 s THR 107 Ca -0.07 -2.21 0.06 0.00 -1.18 0.00 0.00 61.69 58.29 2ha1 s THR 107 Cb 0.17 -2.41 0.22 0.00 1.34 0.00 0.00 72.50 71.81 2ha1 s THR 107 CO 0.72 -0.34 0.61 0.35 -0.54 0.00 0.00 174.62 175.42 2ha1 n THR 108 N -0.61 1.47 -1.80 3.99 -2.24 -1.26 -4.90 114.28 108.92 2ha1 n THR 108 Ca -0.06 -4.82 -0.39 0.00 -2.27 0.00 0.00 64.05 56.52 2ha1 n THR 108 Cb 0.62 -2.07 0.03 0.00 -2.10 0.00 0.00 70.33 66.81 2ha1 n THR 108 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2ha1 s PRO 109 N -1.80 3.27 0.34 -0.78 0.04 -1.26 -4.91 135.00 129.90 2ha1 s PRO 109 Ca 0.34 2.25 0.03 0.00 0.04 0.00 0.00 61.00 63.67 2ha1 s PRO 109 Cb 0.08 -2.34 0.65 0.00 0.04 0.00 0.00 34.50 32.93 2ha1 s PRO 109 CO -0.09 -1.10 1.95 0.74 0.04 0.00 0.00 177.00 178.55 2ha1 h PHE 110 N 1.64 0.86 0.00 0.56 -1.00 -1.99 -3.43 116.94 113.59 2ha1 h PHE 110 Ca -0.51 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.29 2ha1 h PHE 110 Cb 1.29 -0.29 0.00 0.00 3.61 0.00 0.00 35.95 40.57 2ha1 h PHE 110 CO 0.47 0.47 0.00 -1.13 -1.61 0.00 0.00 178.31 176.51 2ha1 n SER 111 N -4.47 0.00 -4.67 2.17 3.41 -1.26 -5.08 113.62 103.72 2ha1 n SER 111 Ca 0.11 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.30 2ha1 n SER 111 Cb 0.18 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.13 2ha1 n SER 111 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 2ha1 n PRO 112 N -1.00 1.76 0.00 4.33 -0.02 -1.26 -4.89 135.00 133.93 2ha1 n PRO 112 Ca 0.00 0.63 0.14 0.00 -2.02 0.00 0.00 63.50 62.25 2ha1 n PRO 112 Cb 0.00 -2.23 0.59 0.00 -0.02 0.00 0.00 33.50 31.84 2ha1 n PRO 112 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2ha1 n LEU 113 N 0.51 0.53 -0.73 2.45 4.77 -1.26 -4.78 117.00 118.49 2ha1 n LEU 113 Ca 0.07 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 2ha1 n LEU 113 Cb 0.38 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 2ha1 n LEU 113 CO 0.59 0.10 0.00 1.33 -1.33 0.00 0.00 177.39 178.08 2ha1 n VAL 114 N -0.90 0.00 -1.82 4.08 0.24 -1.26 -4.77 118.33 113.90 2ha1 n VAL 114 Ca 0.14 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 62.06 2ha1 n VAL 114 Cb 0.28 -0.52 0.03 0.00 -1.47 0.00 0.00 33.84 32.16 2ha1 n VAL 114 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ha1 s ALA 115 N 0.00 2.98 0.24 2.33 0.00 -1.26 -4.89 121.76 121.16 2ha1 s ALA 115 Ca 0.00 1.35 -0.06 0.00 0.00 0.00 0.00 51.96 53.26 2ha1 s ALA 115 Cb 0.00 -3.56 0.31 0.00 0.00 0.00 0.00 23.12 19.87 2ha1 s ALA 115 CO 0.00 -1.26 1.86 1.15 0.00 0.00 0.00 175.76 177.51 2ha1 h THR 116 N 1.79 1.07 -3.84 0.00 2.02 -1.98 -3.42 112.91 108.54 2ha1 h THR 116 Ca -0.51 -0.34 -0.52 0.00 0.77 0.00 0.00 66.41 65.81 2ha1 h THR 116 Cb 1.28 -0.02 -0.21 0.00 -1.74 0.00 0.00 68.15 67.46 2ha1 h THR 116 CO 0.59 0.18 -0.81 -0.44 0.37 0.00 0.00 175.52 175.41 2ha1 s SER 117 N -5.80 2.39 0.00 4.18 0.01 -1.26 -5.12 113.70 108.10 2ha1 s SER 117 Ca -0.13 -0.70 0.00 0.00 1.31 0.00 0.00 55.95 56.43 2ha1 s SER 117 Cb 0.18 -0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.29 2ha1 s SER 117 CO 0.79 0.02 0.00 -0.62 0.41 0.00 0.00 173.24 173.84 2ha1 n GLU 118 N 1.00 0.00 0.00 12.44 4.71 -1.26 -4.71 120.64 132.81 2ha1 n GLU 118 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 56.96 2ha1 n GLU 118 Cb 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.97 2ha1 n GLU 118 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 2ha1 n SER 119 N 0.00 0.00 -1.71 1.62 3.41 -1.26 -4.84 113.62 110.84 2ha1 n SER 119 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2ha1 n SER 119 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2ha1 n SER 119 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2ha1 n VAL 120 N 0.00 -3.28 -4.47 -3.33 0.31 -1.26 -4.97 118.33 101.32 2ha1 n VAL 120 Ca 0.00 1.29 -0.24 0.00 -0.01 0.00 0.00 64.34 65.38 2ha1 n VAL 120 Cb 0.00 -1.79 -0.10 0.00 -0.91 0.00 0.00 33.84 31.04 2ha1 n VAL 120 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2ha1 s THR 121 N -1.24 2.45 -0.06 2.52 -4.23 -1.26 -5.02 115.64 108.79 2ha1 s THR 121 Ca 0.00 -2.39 -0.01 0.00 -1.18 0.00 0.00 61.69 58.11 2ha1 s THR 121 Cb 0.00 -2.32 -0.03 0.00 1.34 0.00 0.00 72.50 71.49 2ha1 s THR 121 CO 0.00 -0.39 -0.00 -0.70 -0.54 0.00 0.00 174.62 172.99 2ha1 s GLU 122 N -3.52 2.92 -0.10 3.99 2.12 -1.26 -5.11 118.70 117.74 2ha1 s GLU 122 Ca 0.30 -0.46 0.01 0.00 0.36 0.00 0.00 54.97 55.18 2ha1 s GLU 122 Cb -0.04 -2.75 -0.02 0.00 0.26 0.00 0.00 34.13 31.58 2ha1 s GLU 122 CO 0.15 0.68 -0.12 0.42 -0.54 0.00 0.00 175.26 175.85 2ha1 s ILE 123 N -0.93 3.15 -0.41 -3.70 1.01 -1.26 -5.07 121.20 113.99 2ha1 s ILE 123 Ca 0.15 -0.65 -0.29 0.00 0.00 0.00 0.00 60.65 59.86 2ha1 s ILE 123 Cb -0.11 -2.29 0.01 0.00 0.01 0.00 0.00 42.46 40.07 2ha1 s ILE 123 CO 0.04 0.55 1.35 0.28 0.00 0.00 0.00 174.94 177.16 2ha1 s THR 124 N -0.10 3.98 0.00 2.92 -1.32 -1.26 -4.85 115.64 115.01 2ha1 s THR 124 Ca -0.01 1.01 0.00 0.00 -1.21 0.00 0.00 61.69 61.48 2ha1 s THR 124 Cb -0.14 -4.27 0.00 0.00 -1.51 0.00 0.00 72.50 66.59 2ha1 s THR 124 CO 0.03 -0.77 0.00 0.00 -2.21 0.00 0.00 174.62 171.68 2ha1 n ALA 125 N 8.52 0.51 0.30 11.08 0.00 -1.26 -4.79 120.51 134.88 2ha1 n ALA 125 Ca 0.16 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.71 2ha1 n ALA 125 Cb 0.48 0.00 0.53 0.00 0.00 0.00 0.00 19.45 20.46 2ha1 n ALA 125 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2ha1 n SER 126 N 0.00 0.63 -4.35 0.00 3.41 -1.26 -4.76 113.62 107.29 2ha1 n SER 126 Ca 0.00 0.70 -0.32 0.00 -0.26 0.00 0.00 58.87 59.00 2ha1 n SER 126 Cb 0.00 -0.82 0.18 0.00 -0.26 0.00 0.00 64.21 63.31 2ha1 n SER 126 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2ha1 n SER 127 N -2.24 -2.13 -4.07 4.04 3.41 -1.26 -4.57 113.62 106.80 2ha1 n SER 127 Ca 0.01 -0.04 -0.17 0.00 -0.26 0.00 0.00 58.87 58.41 2ha1 n SER 127 Cb 0.15 -1.07 -0.13 0.00 -0.26 0.00 0.00 64.21 62.91 2ha1 n SER 127 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2ha1 s PHE 128 N -2.30 0.83 -0.31 7.33 0.08 -0.27 -4.94 117.98 118.40 2ha1 s PHE 128 Ca 0.59 -0.33 0.02 0.00 0.12 0.00 0.00 56.93 57.33 2ha1 s PHE 128 Cb -0.16 -0.50 0.09 0.00 -0.57 0.00 0.00 43.02 41.88 2ha1 s PHE 128 CO 0.66 -0.02 0.05 0.08 -0.10 0.00 0.00 175.22 175.89 2ha1 s VAL 129 N -0.82 1.76 -0.06 -0.44 1.01 -1.26 0.33 120.40 120.93 2ha1 s VAL 129 Ca -0.02 -1.90 0.03 0.00 0.00 0.00 0.00 61.98 60.09 2ha1 s VAL 129 Cb -0.07 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 2ha1 s VAL 129 CO 0.01 -0.54 -0.12 -0.69 0.00 0.00 0.00 175.10 173.76 2ha1 s VAL 130 N 1.18 3.28 0.11 2.92 1.01 -0.81 -4.98 120.40 123.12 2ha1 s VAL 130 Ca 0.08 -0.64 0.06 0.00 0.00 0.00 0.00 61.98 61.48 2ha1 s VAL 130 Cb -0.18 -2.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 2ha1 s VAL 130 CO -0.13 0.59 -0.15 -0.94 0.00 0.00 0.00 175.10 174.47 2ha1 s SER 131 N -0.73 2.04 0.00 3.32 1.04 -1.26 -1.18 113.70 116.92 2ha1 s SER 131 Ca 0.11 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 55.81 2ha1 s SER 131 Cb -0.11 -0.08 0.00 0.00 0.10 0.00 0.00 66.02 65.93 2ha1 s SER 131 CO 0.01 -0.08 0.00 -2.67 0.98 0.00 0.00 173.24 171.48 2ha1 n TRP 132 N 0.82 -0.12 -4.68 5.02 2.14 -0.19 -4.98 117.44 115.47 2ha1 n TRP 132 Ca -0.18 0.00 -0.29 0.00 2.07 0.00 0.00 57.50 59.10 2ha1 n TRP 132 Cb 0.56 0.00 -0.17 0.00 -0.81 0.00 0.00 31.31 30.89 2ha1 n TRP 132 CO 0.00 0.00 0.00 0.08 2.07 0.00 0.00 177.69 179.84 2ha1 s VAL 133 N -1.85 1.64 0.00 -1.67 1.01 -1.26 -4.79 120.40 113.47 2ha1 s VAL 133 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.24 2ha1 s VAL 133 Cb 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 36.38 34.92 2ha1 s VAL 133 CO 0.00 0.47 0.82 -1.54 0.00 0.00 0.00 175.10 174.85 2ha1 n SER 134 N 3.96 0.00 -0.85 3.32 3.41 -1.26 -4.58 113.62 117.62 2ha1 n SER 134 Ca -0.20 -1.76 0.00 0.00 -0.26 0.00 0.00 58.87 56.65 2ha1 n SER 134 Cb 0.52 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 2ha1 n SER 134 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ha1 n ALA 135 N 4.43 0.00 0.00 7.33 0.00 -1.26 -3.87 120.51 127.14 2ha1 n ALA 135 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2ha1 n ALA 135 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2ha1 n ALA 135 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2ha1 n SER 136 N 0.20 0.00 -0.01 0.00 7.64 -1.26 -5.01 113.62 115.17 2ha1 n SER 136 Ca 0.00 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.01 2ha1 n SER 136 Cb 0.00 0.00 0.39 0.00 -1.01 0.00 0.00 64.21 63.59 2ha1 n SER 136 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2ha1 n ASP 137 N 0.00 0.35 -0.34 6.43 8.00 -1.25 -3.34 116.55 126.39 2ha1 n ASP 137 Ca 0.00 -0.04 0.14 0.00 0.71 0.00 0.00 54.79 55.61 2ha1 n ASP 137 Cb 0.00 -0.02 0.63 0.00 -0.02 0.00 0.00 41.12 41.72 2ha1 n ASP 137 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2ha1 n THR 138 N -1.45 0.01 -2.02 -3.53 -2.24 -1.26 -4.89 114.28 98.90 2ha1 n THR 138 Ca 0.07 -0.18 -0.41 0.00 -2.27 0.00 0.00 64.05 61.25 2ha1 n THR 138 Cb 0.33 0.21 -0.02 0.00 -2.10 0.00 0.00 70.33 68.75 2ha1 n THR 138 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2ha1 s VAL 139 N -1.99 2.61 -0.51 2.28 0.11 -1.21 -2.89 120.40 118.79 2ha1 s VAL 139 Ca 0.40 0.55 0.22 0.00 -2.93 0.00 0.00 61.98 60.23 2ha1 s VAL 139 Cb 0.21 -3.35 -0.18 0.00 -1.53 0.00 0.00 36.38 31.53 2ha1 s VAL 139 CO 0.34 0.11 0.87 -1.54 -3.33 0.00 0.00 175.10 171.55 2ha1 n SER 140 N 1.60 0.54 0.00 3.54 3.41 1.29 -4.60 113.62 119.40 2ha1 n SER 140 Ca 0.04 -0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.39 2ha1 n SER 140 Cb 0.41 1.10 0.00 0.00 -0.26 0.00 0.00 64.21 65.46 2ha1 n SER 140 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ha1 n GLY 141 N 1.35 -0.42 3.33 5.00 0.00 -1.11 -3.29 105.19 110.06 2ha1 n GLY 141 Ca 0.01 -0.95 -0.25 0.00 0.00 0.00 0.00 46.02 44.83 2ha1 n GLY 141 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ha1 s PHE 142 N -2.00 1.96 -0.09 1.61 0.08 0.51 0.13 117.98 120.18 2ha1 s PHE 142 Ca 0.00 -0.41 -0.01 0.00 0.12 0.00 0.00 56.93 56.63 2ha1 s PHE 142 Cb 0.00 -1.04 0.03 0.00 -0.57 0.00 0.00 43.02 41.44 2ha1 s PHE 142 CO 0.00 0.29 -0.04 0.50 -0.10 0.00 0.00 175.22 175.87 2ha1 s ARG 143 N -2.22 1.10 -0.12 0.44 3.52 0.90 0.44 118.95 123.01 2ha1 s ARG 143 Ca 0.12 -0.10 -0.04 0.00 -0.13 0.00 0.00 55.73 55.58 2ha1 s ARG 143 Cb -0.09 -1.26 -0.04 0.00 -1.56 0.00 0.00 34.95 32.00 2ha1 s ARG 143 CO 0.06 -0.26 0.04 0.08 -0.81 0.00 0.00 175.30 174.41 2ha1 s VAL 144 N 1.71 4.61 -0.06 7.11 1.01 0.91 -0.72 120.40 134.96 2ha1 s VAL 144 Ca 0.03 -0.12 0.02 0.00 0.00 0.00 0.00 61.98 61.91 2ha1 s VAL 144 Cb -0.13 -2.99 0.01 0.00 0.00 0.00 0.00 36.38 33.27 2ha1 s VAL 144 CO -0.06 0.56 -0.11 -0.70 0.00 0.00 0.00 175.10 174.79 2ha1 s GLU 145 N -0.49 1.61 -0.01 2.72 2.12 -0.75 -0.37 118.70 123.52 2ha1 s GLU 145 Ca 0.09 -0.38 0.00 0.00 0.36 0.00 0.00 54.97 55.05 2ha1 s GLU 145 Cb -0.12 -1.35 0.01 0.00 0.26 0.00 0.00 34.13 32.94 2ha1 s GLU 145 CO 0.02 0.01 -0.00 1.52 -0.54 0.00 0.00 175.26 176.27 2ha1 s TYR 146 N 0.70 0.17 0.10 5.30 1.13 -1.00 -1.34 117.35 122.40 2ha1 s TYR 146 Ca -0.14 0.01 -0.07 0.00 -1.41 0.00 0.00 57.07 55.46 2ha1 s TYR 146 Cb -0.16 -0.21 -0.01 0.00 -1.10 0.00 0.00 41.96 40.48 2ha1 s TYR 146 CO 0.03 -0.05 0.16 -1.83 -2.51 0.00 0.00 175.55 171.35 2ha1 s GLU 147 N 0.47 0.86 -0.01 -3.49 -1.05 -0.99 -2.58 118.70 111.91 2ha1 s GLU 147 Ca -0.04 -1.08 -0.30 0.00 -0.15 0.00 0.00 54.97 53.40 2ha1 s GLU 147 Cb -0.07 0.32 -0.05 0.00 -0.44 0.00 0.00 34.13 33.89 2ha1 s GLU 147 CO -0.01 -0.27 1.39 -0.51 0.95 0.00 0.00 175.26 176.82 2ha1 s LEU 148 N -2.90 4.31 0.00 1.83 1.43 -1.26 -0.14 118.68 121.95 2ha1 s LEU 148 Ca 0.09 2.09 0.18 0.00 -1.03 0.00 0.00 54.13 55.45 2ha1 s LEU 148 Cb 0.05 -3.56 0.83 0.00 0.03 0.00 0.00 46.19 43.55 2ha1 s LEU 148 CO -0.08 -0.72 1.55 -1.54 0.23 0.00 0.00 176.35 175.79 2ha1 n SER 149 N 5.44 0.00 -0.00 2.29 3.41 0.14 -1.89 113.62 123.01 2ha1 n SER 149 Ca 0.13 0.24 -0.00 0.00 -0.26 0.00 0.00 58.87 58.98 2ha1 n SER 149 Cb 0.44 -0.38 -0.00 0.00 -0.26 0.00 0.00 64.21 64.01 2ha1 n SER 149 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2ha1 n GLU 150 N -1.38 0.01 -0.07 4.33 1.02 -1.26 -4.75 120.64 118.54 2ha1 n GLU 150 Ca 0.07 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.23 2ha1 n GLU 150 Cb 0.17 -0.28 0.34 0.00 -0.02 0.00 0.00 31.44 31.65 2ha1 n GLU 150 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2ha1 h GLU 151 N -0.02 0.69 0.00 3.49 5.08 -1.92 -3.46 114.58 118.44 2ha1 h GLU 151 Ca 0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2ha1 h GLU 151 Cb 0.02 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.12 2ha1 h GLU 151 CO 0.00 0.49 0.00 0.41 -1.00 0.00 0.00 179.01 178.91 2ha1 n GLY 152 N -1.35 0.60 0.19 -3.84 0.00 -0.80 -5.00 105.19 95.00 2ha1 n GLY 152 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2ha1 n GLY 152 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ha1 n ASP 153 N -0.04 -0.14 -4.76 1.61 2.03 -1.26 -4.73 116.55 109.26 2ha1 n ASP 153 Ca 0.00 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.91 2ha1 n ASP 153 Cb 0.02 -0.04 -0.06 0.00 -0.72 0.00 0.00 41.12 40.33 2ha1 n ASP 153 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 2ha1 s GLU 154 N -0.14 4.69 0.44 -0.67 1.03 -1.26 -4.75 118.70 118.03 2ha1 s GLU 154 Ca 0.00 1.31 -0.24 0.00 0.03 0.00 0.00 54.97 56.07 2ha1 s GLU 154 Cb 0.00 -3.29 -0.08 0.00 -0.80 0.00 0.00 34.13 29.96 2ha1 s GLU 154 CO 0.00 0.49 1.15 -1.25 -1.33 0.00 0.00 175.26 174.32 2ha1 s PRO 155 N -0.96 3.90 0.05 -4.83 0.04 -1.26 -4.86 135.00 127.07 2ha1 s PRO 155 Ca 0.39 1.74 0.07 0.00 0.04 0.00 0.00 61.00 63.24 2ha1 s PRO 155 Cb -0.24 -2.49 -0.03 0.00 0.04 0.00 0.00 34.50 31.78 2ha1 s PRO 155 CO 0.29 -0.43 -0.17 -0.65 0.04 0.00 0.00 177.00 176.08 2ha1 s GLN 156 N -2.57 2.07 0.00 4.56 -0.21 -1.07 -4.91 119.66 117.54 2ha1 s GLN 156 Ca 0.61 -0.99 0.07 0.00 0.02 0.00 0.00 55.36 55.08 2ha1 s GLN 156 Cb -0.28 -2.20 -0.02 0.00 1.00 0.00 0.00 33.01 31.51 2ha1 s GLN 156 CO 0.34 0.54 -0.22 0.71 -2.12 0.00 0.00 175.29 174.54 2ha1 s TYR 157 N -0.96 1.95 -0.08 0.91 2.02 -1.26 -2.37 117.35 117.57 2ha1 s TYR 157 Ca 0.15 -0.37 0.02 0.00 -0.37 0.00 0.00 57.07 56.50 2ha1 s TYR 157 Cb -0.11 -1.23 0.02 0.00 -0.40 0.00 0.00 41.96 40.24 2ha1 s TYR 157 CO 0.06 0.01 -0.12 -0.51 -1.57 0.00 0.00 175.55 173.42 2ha1 s LEU 158 N -0.72 1.59 -0.18 -1.29 1.43 0.50 -4.93 118.68 115.07 2ha1 s LEU 158 Ca 0.08 -0.32 -0.09 0.00 -1.03 0.00 0.00 54.13 52.78 2ha1 s LEU 158 Cb -0.09 -0.88 -0.05 0.00 0.03 0.00 0.00 46.19 45.21 2ha1 s LEU 158 CO -0.00 0.01 0.10 -0.62 0.23 0.00 0.00 176.35 176.07 2ha1 s ASP 159 N 0.88 5.98 0.16 2.29 -1.08 -1.26 -0.06 116.67 123.58 2ha1 s ASP 159 Ca -0.10 0.19 0.07 0.00 -0.52 0.00 0.00 52.55 52.19 2ha1 s ASP 159 Cb -0.15 -2.02 -0.04 0.00 -1.46 0.00 0.00 42.92 39.24 2ha1 s ASP 159 CO 0.01 0.21 -0.14 -0.76 0.52 0.00 0.00 175.17 175.00 2ha1 s LEU 160 N 0.20 2.49 0.73 -1.34 1.43 0.17 -4.95 118.68 117.40 2ha1 s LEU 160 Ca 0.07 -0.93 -0.12 0.00 -1.03 0.00 0.00 54.13 52.12 2ha1 s LEU 160 Cb -0.12 -0.61 0.03 0.00 0.03 0.00 0.00 46.19 45.53 2ha1 s LEU 160 CO -0.01 -0.17 1.10 -2.16 0.23 0.00 0.00 176.35 175.35 2ha1 s PRO 161 N -3.23 2.48 0.14 1.29 0.04 -1.26 0.19 135.00 134.66 2ha1 s PRO 161 Ca 0.16 1.25 0.09 0.00 0.04 0.00 0.00 61.00 62.55 2ha1 s PRO 161 Cb -0.02 -1.92 0.51 0.00 0.04 0.00 0.00 34.50 33.11 2ha1 s PRO 161 CO 0.05 -1.48 1.27 -1.13 0.04 0.00 0.00 177.00 175.75 2ha1 n SER 162 N -3.08 0.24 -0.08 6.66 3.41 -1.21 0.27 113.62 119.84 2ha1 n SER 162 Ca 0.10 0.60 0.12 0.00 -0.26 0.00 0.00 58.87 59.42 2ha1 n SER 162 Cb 0.53 -0.63 0.18 0.00 -0.26 0.00 0.00 64.21 64.03 2ha1 n SER 162 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2ha1 n THR 163 N -1.82 0.00 -2.90 6.66 -2.24 -1.26 -4.89 114.28 107.83 2ha1 n THR 163 Ca -0.01 -0.04 -0.40 0.00 -2.27 0.00 0.00 64.05 61.33 2ha1 n THR 163 Cb 0.04 0.50 -0.05 0.00 -2.10 0.00 0.00 70.33 68.71 2ha1 n THR 163 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ha1 s ALA 164 N -2.88 3.34 -0.03 6.98 0.00 0.14 -4.93 121.76 124.39 2ha1 s ALA 164 Ca 0.13 0.38 0.04 0.00 0.00 0.00 0.00 51.96 52.52 2ha1 s ALA 164 Cb 0.18 -3.08 0.07 0.00 0.00 0.00 0.00 23.12 20.29 2ha1 s ALA 164 CO 0.70 0.07 0.93 0.25 0.00 0.00 0.00 175.76 177.71 2ha1 n THR 165 N 2.60 0.54 -3.59 0.00 -2.24 -1.26 -4.88 114.28 105.46 2ha1 n THR 165 Ca -0.02 -0.63 -0.11 0.00 -2.27 0.00 0.00 64.05 61.03 2ha1 n THR 165 Cb 0.50 0.44 -0.06 0.00 -2.10 0.00 0.00 70.33 69.11 2ha1 n THR 165 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2ha1 s SER 166 N -1.22 -0.43 -0.02 3.42 1.04 -1.26 -1.02 113.70 114.22 2ha1 s SER 166 Ca 0.07 0.58 -0.19 0.00 0.48 0.00 0.00 55.95 56.90 2ha1 s SER 166 Cb 0.06 0.50 0.03 0.00 0.10 0.00 0.00 66.02 66.72 2ha1 s SER 166 CO 0.01 -0.31 0.40 0.54 0.98 0.00 0.00 173.24 174.85 2ha1 s VAL 167 N -0.72 0.04 -0.21 5.02 0.11 -0.33 -4.99 120.40 119.32 2ha1 s VAL 167 Ca -0.01 -0.37 -0.06 0.00 -2.93 0.00 0.00 61.98 58.60 2ha1 s VAL 167 Cb -0.02 -0.74 -0.03 0.00 -1.53 0.00 0.00 36.38 34.07 2ha1 s VAL 167 CO 0.00 -0.20 0.04 0.21 -3.33 0.00 0.00 175.10 171.82 2ha1 s ASN 168 N -1.37 5.18 -0.48 3.54 3.04 -1.26 -1.92 114.94 121.66 2ha1 s ASN 168 Ca -0.12 -0.11 -0.16 0.00 0.04 0.00 0.00 52.86 52.51 2ha1 s ASN 168 Cb -0.04 -1.90 0.08 0.00 -1.54 0.00 0.00 41.25 37.85 2ha1 s ASN 168 CO 0.05 0.07 0.42 -0.63 -3.04 0.00 0.00 177.10 173.97 2ha1 s ILE 169 N 0.98 5.20 0.74 -5.21 1.01 0.15 -4.89 121.20 119.18 2ha1 s ILE 169 Ca 0.03 -1.04 -0.02 0.00 0.00 0.00 0.00 60.65 59.62 2ha1 s ILE 169 Cb -0.14 -4.16 0.15 0.00 0.01 0.00 0.00 42.46 38.32 2ha1 s ILE 169 CO 0.02 -0.62 1.02 -0.81 0.00 0.00 0.00 174.94 174.55 2ha1 n PRO 170 N 5.29 -0.24 -2.67 2.79 -0.04 -1.26 -1.12 135.00 137.76 2ha1 n PRO 170 Ca -0.12 -2.58 -0.20 0.00 -0.04 0.00 0.00 63.50 60.56 2ha1 n PRO 170 Cb 0.44 -0.73 0.01 0.00 -0.04 0.00 0.00 33.50 33.18 2ha1 n PRO 170 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2ha1 n ASP 171 N -3.02 -5.68 -4.84 3.54 8.00 -1.26 -4.94 116.55 108.35 2ha1 n ASP 171 Ca 0.16 -0.14 -0.33 0.00 0.71 0.00 0.00 54.79 55.18 2ha1 n ASP 171 Cb 0.58 -4.61 -0.06 0.00 -0.02 0.00 0.00 41.12 37.01 2ha1 n ASP 171 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2ha1 s LEU 172 N -5.88 4.14 -0.35 0.64 1.43 -1.26 -5.03 118.68 112.37 2ha1 s LEU 172 Ca 0.14 1.28 -0.22 0.00 -1.03 0.00 0.00 54.13 54.30 2ha1 s LEU 172 Cb -0.06 -3.91 0.01 0.00 0.03 0.00 0.00 46.19 42.25 2ha1 s LEU 172 CO 0.18 -0.13 0.74 -0.76 0.23 0.00 0.00 176.35 176.60 2ha1 s LEU 173 N -2.71 4.16 0.39 1.79 1.43 -1.26 -4.72 118.68 117.76 2ha1 s LEU 173 Ca 0.51 0.33 -0.27 0.00 -1.03 0.00 0.00 54.13 53.66 2ha1 s LEU 173 Cb -0.12 -2.96 -0.11 0.00 0.03 0.00 0.00 46.19 43.04 2ha1 s LEU 173 CO 0.18 -0.67 1.44 -2.65 0.23 0.00 0.00 176.35 174.88 2ha1 n PRO 174 N 6.27 2.49 -1.21 1.29 -0.02 -1.26 -2.49 135.00 140.08 2ha1 n PRO 174 Ca 0.02 0.88 -0.03 0.00 -2.02 0.00 0.00 63.50 62.34 2ha1 n PRO 174 Cb 0.48 -2.60 -0.01 0.00 -0.02 0.00 0.00 33.50 31.35 2ha1 n PRO 174 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ha1 n GLY 175 N 0.53 0.57 3.25 -1.23 0.00 -1.19 -5.02 105.19 102.10 2ha1 n GLY 175 Ca 0.03 -0.92 -0.22 0.00 0.00 0.00 0.00 46.02 44.91 2ha1 n GLY 175 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ha1 s ARG 176 N -2.49 1.03 -0.19 1.61 1.81 -1.04 -4.95 118.95 114.74 2ha1 s ARG 176 Ca 0.00 -1.10 -0.09 0.00 -1.72 0.00 0.00 55.73 52.81 2ha1 s ARG 176 Cb 0.00 -1.21 -0.05 0.00 -0.45 0.00 0.00 34.95 33.24 2ha1 s ARG 176 CO 0.00 0.28 0.13 0.21 -0.68 0.00 0.00 175.30 175.24 2ha1 s LYS 177 N -1.88 4.05 0.10 3.54 2.20 -1.26 -1.77 119.74 124.73 2ha1 s LYS 177 Ca 0.04 -0.21 0.10 0.00 -0.36 0.00 0.00 55.97 55.54 2ha1 s LYS 177 Cb -0.10 -3.37 -0.04 0.00 -1.51 0.00 0.00 37.83 32.81 2ha1 s LYS 177 CO 0.04 0.38 -0.26 0.71 -0.36 0.00 0.00 175.35 175.85 2ha1 s TYR 178 N 0.12 2.26 -0.21 4.03 1.51 0.03 0.28 117.35 125.37 2ha1 s TYR 178 Ca 0.09 -0.39 -0.07 0.00 -1.01 0.00 0.00 57.07 55.69 2ha1 s TYR 178 Cb -0.11 -1.26 -0.03 0.00 -0.11 0.00 0.00 41.96 40.44 2ha1 s TYR 178 CO -0.01 0.27 0.06 0.42 -1.11 0.00 0.00 175.55 175.17 2ha1 s ILE 179 N -0.99 4.49 -0.11 2.71 1.01 0.81 -1.20 121.20 127.92 2ha1 s ILE 179 Ca 0.13 -0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.66 2ha1 s ILE 179 Cb -0.10 -3.06 -0.02 0.00 0.01 0.00 0.00 42.46 39.30 2ha1 s ILE 179 CO 0.05 0.40 -0.14 -0.69 0.00 0.00 0.00 174.94 174.56 2ha1 s VAL 180 N 0.96 2.99 -0.06 2.92 1.01 0.85 -2.34 120.40 126.73 2ha1 s VAL 180 Ca 0.04 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.30 2ha1 s VAL 180 Cb -0.14 -2.23 0.03 0.00 0.00 0.00 0.00 36.38 34.04 2ha1 s VAL 180 CO 0.03 0.54 0.01 0.20 0.00 0.00 0.00 175.10 175.88 2ha1 s ASN 181 N 0.08 1.26 -0.23 3.32 -0.87 -0.45 -0.33 114.94 117.72 2ha1 s ASN 181 Ca -0.06 -0.05 -0.10 0.00 -1.57 0.00 0.00 52.86 51.08 2ha1 s ASN 181 Cb -0.15 -0.36 -0.05 0.00 -0.02 0.00 0.00 41.25 40.68 2ha1 s ASN 181 CO 0.05 -0.17 0.14 -0.69 -2.57 0.00 0.00 177.10 173.85 2ha1 s VAL 182 N 1.74 5.18 -0.05 1.60 1.01 0.15 -1.81 120.40 128.21 2ha1 s VAL 182 Ca 0.01 0.12 0.05 0.00 0.00 0.00 0.00 61.98 62.16 2ha1 s VAL 182 Cb -0.13 -3.40 -0.02 0.00 0.00 0.00 0.00 36.38 32.83 2ha1 s VAL 182 CO -0.04 0.36 -0.20 -0.31 0.00 0.00 0.00 175.10 174.92 2ha1 s TYR 183 N 0.99 2.55 -0.16 5.22 2.02 0.10 -1.42 117.35 126.65 2ha1 s TYR 183 Ca 0.07 -0.42 -0.08 0.00 -0.37 0.00 0.00 57.07 56.27 2ha1 s TYR 183 Cb -0.13 -1.61 -0.04 0.00 -0.40 0.00 0.00 41.96 39.77 2ha1 s TYR 183 CO 0.04 -0.01 0.12 1.14 -1.57 0.00 0.00 175.55 175.27 2ha1 s GLN 184 N -0.45 3.76 -0.25 -0.62 -2.07 -0.79 -0.07 119.66 119.17 2ha1 s GLN 184 Ca 0.05 -0.20 -0.12 0.00 -1.82 0.00 0.00 55.36 53.28 2ha1 s GLN 184 Cb -0.12 -3.26 -0.05 0.00 -1.09 0.00 0.00 33.01 28.49 2ha1 s GLN 184 CO 0.01 0.54 0.21 0.42 -1.32 0.00 0.00 175.29 175.15 2ha1 s ILE 185 N -0.34 5.31 0.73 3.63 1.01 0.12 -2.24 121.20 129.42 2ha1 s ILE 185 Ca 0.11 0.26 -0.08 0.00 0.00 0.00 0.00 60.65 60.94 2ha1 s ILE 185 Cb -0.12 -3.55 0.06 0.00 0.01 0.00 0.00 42.46 38.87 2ha1 s ILE 185 CO 0.01 0.29 1.06 -0.94 0.00 0.00 0.00 174.94 175.36 2ha1 s SER 186 N 1.33 4.77 0.30 3.58 1.04 -0.15 0.39 113.70 124.97 2ha1 s SER 186 Ca 0.09 0.56 0.20 0.00 0.48 0.00 0.00 55.95 57.28 2ha1 s SER 186 Cb -0.15 -1.18 1.10 0.00 0.10 0.00 0.00 66.02 65.89 2ha1 s SER 186 CO 0.07 -1.66 1.62 -0.62 0.98 0.00 0.00 173.24 173.63 2ha1 n GLU 187 N -3.02 0.13 0.00 4.02 1.02 -1.14 -0.01 120.64 121.64 2ha1 n GLU 187 Ca 0.08 0.63 0.12 0.00 -0.02 0.00 0.00 57.16 57.97 2ha1 n GLU 187 Cb 0.60 -1.94 0.16 0.00 -0.02 0.00 0.00 31.44 30.25 2ha1 n GLU 187 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2ha1 n ASP 188 N -2.21 1.75 0.00 1.62 5.68 -1.26 -4.59 116.55 117.54 2ha1 n ASP 188 Ca -0.01 -1.35 0.00 0.00 -0.50 0.00 0.00 54.79 52.92 2ha1 n ASP 188 Cb 0.04 0.30 0.00 0.00 -1.14 0.00 0.00 41.12 40.32 2ha1 n ASP 188 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ha1 n GLY 189 N 1.37 0.67 3.77 6.12 0.00 0.99 -4.58 105.19 113.53 2ha1 n GLY 189 Ca 0.11 -0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 2ha1 n GLY 189 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ha1 s GLU 190 N -0.71 4.53 -0.07 1.61 2.12 -1.26 -4.77 118.70 120.16 2ha1 s GLU 190 Ca 0.00 1.11 -0.01 0.00 0.36 0.00 0.00 54.97 56.43 2ha1 s GLU 190 Cb 0.00 -3.28 -0.03 0.00 0.26 0.00 0.00 34.13 31.08 2ha1 s GLU 190 CO 0.00 0.53 0.01 -0.65 -0.54 0.00 0.00 175.26 174.61 2ha1 s GLN 191 N -0.95 2.97 -0.04 4.30 -0.21 -1.26 -0.98 119.66 123.49 2ha1 s GLN 191 Ca 0.36 -0.44 0.00 0.00 0.02 0.00 0.00 55.36 55.30 2ha1 s GLN 191 Cb -0.22 -2.79 0.03 0.00 1.00 0.00 0.00 33.01 31.02 2ha1 s GLN 191 CO 0.25 0.69 -0.01 -1.12 -2.12 0.00 0.00 175.29 172.99 2ha1 s SER 192 N -1.04 0.82 -0.14 5.90 0.01 -0.95 -4.91 113.70 113.39 2ha1 s SER 192 Ca 0.15 -0.05 -0.29 0.00 1.31 0.00 0.00 55.95 57.06 2ha1 s SER 192 Cb -0.11 -0.31 -0.04 0.00 0.21 0.00 0.00 66.02 65.77 2ha1 s SER 192 CO 0.04 -0.12 1.64 -0.22 0.41 0.00 0.00 173.24 175.00 2ha1 s LEU 193 N 1.26 4.09 -0.03 2.44 2.96 -1.26 -1.89 118.68 126.25 2ha1 s LEU 193 Ca -0.06 1.93 0.12 0.00 -0.22 0.00 0.00 54.13 55.89 2ha1 s LEU 193 Cb -0.13 -3.53 -0.18 0.00 0.50 0.00 0.00 46.19 42.85 2ha1 s LEU 193 CO -0.02 -1.11 0.22 2.30 -1.32 0.00 0.00 176.35 176.43 2ha1 n ILE 194 N 5.97 0.13 -3.66 6.68 -5.35 -0.51 -4.99 119.36 117.64 2ha1 n ILE 194 Ca 0.18 -0.31 -0.06 0.00 -0.27 0.00 0.00 62.75 62.29 2ha1 n ILE 194 Cb 0.44 0.06 -0.07 0.00 -1.74 0.00 0.00 39.64 38.33 2ha1 n ILE 194 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 2ha1 s LEU 195 N -4.00 -0.77 -0.09 7.28 2.96 -1.20 -4.91 118.68 117.94 2ha1 s LEU 195 Ca -0.05 1.32 -0.01 0.00 -0.22 0.00 0.00 54.13 55.17 2ha1 s LEU 195 Cb 0.07 1.98 0.03 0.00 0.50 0.00 0.00 46.19 48.76 2ha1 s LEU 195 CO 0.49 -0.22 -0.03 -0.55 -1.32 0.00 0.00 176.35 174.71 2ha1 s SER 196 N 2.08 1.84 -0.00 3.68 0.15 -1.26 0.29 113.70 120.48 2ha1 s SER 196 Ca -0.07 -0.18 -0.22 0.00 0.70 0.00 0.00 55.95 56.17 2ha1 s SER 196 Cb -0.09 -0.62 0.05 0.00 -1.71 0.00 0.00 66.02 63.65 2ha1 s SER 196 CO -0.17 -0.16 0.48 0.28 1.20 0.00 0.00 173.24 174.87 2ha1 s THR 197 N 1.82 0.03 0.24 6.45 -1.32 0.55 -5.01 115.64 118.41 2ha1 s THR 197 Ca 0.05 -0.28 0.08 0.00 -1.21 0.00 0.00 61.69 60.32 2ha1 s THR 197 Cb -0.12 -0.86 -0.04 0.00 -1.51 0.00 0.00 72.50 69.97 2ha1 s THR 197 CO -0.06 -0.16 0.05 -0.94 -2.21 0.00 0.00 174.62 171.30 2ha1 s SER 198 N -1.52 4.88 0.07 8.08 1.04 -1.26 -0.10 113.70 124.88 2ha1 s SER 198 Ca -0.10 -0.47 -0.08 0.00 0.48 0.00 0.00 55.95 55.78 2ha1 s SER 198 Cb -0.02 -1.05 -0.00 0.00 0.10 0.00 0.00 66.02 65.05 2ha1 s SER 198 CO 0.04 0.01 0.17 -1.10 0.98 0.00 0.00 173.24 173.34 2ha1 s GLN 199 N -3.53 0.76 -0.30 4.02 -0.21 -0.34 -4.96 119.66 115.10 2ha1 s GLN 199 Ca 0.31 -0.87 0.03 0.00 0.02 0.00 0.00 55.36 54.85 2ha1 s GLN 199 Cb -0.08 0.31 0.08 0.00 1.00 0.00 0.00 33.01 34.32 2ha1 s GLN 199 CO 0.21 -0.22 -0.00 0.99 -2.12 0.00 0.00 175.29 174.14 2ha1 s THR 200 N -3.38 1.96 -0.78 -0.19 2.01 -1.26 -0.79 115.64 113.22 2ha1 s THR 200 Ca 0.01 -1.86 0.00 0.00 0.31 0.00 0.00 61.69 60.15 2ha1 s THR 200 Cb 0.03 -2.31 0.00 0.00 0.01 0.00 0.00 72.50 70.23 2ha1 s THR 200 CO -0.08 -0.38 0.19 0.35 -0.69 0.00 0.00 174.62 174.02