#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 -4.93 107.32 103.27 2ha1 s GLY 2 Ca 0.00 -1.38 -0.20 0.00 0.00 0.00 0.00 44.72 43.13 2ha1 s GLY 2 CO 0.00 -1.37 0.29 -1.05 0.00 0.00 0.00 173.10 170.97 2ha1 n PRO 3 N 0.68 0.00 -1.91 2.90 -0.02 -1.26 -4.89 135.00 130.50 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 -0.79 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 -0.98 2.00 -0.20 -1.45 1.01 -1.26 -5.03 120.40 114.49 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 -3.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 2ha1 s VAL 4 CO 0.46 0.00 0.05 -1.61 0.00 0.00 0.00 175.10 174.00 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 0.26 120.40 123.65 2ha1 s VAL 6 Ca 0.03 -0.54 -0.13 0.00 -2.93 0.00 0.00 61.98 58.41 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 0.00 175.10 172.88 2ha1 s PHE 7 N -0.62 0.26 -0.15 1.54 -0.12 -0.98 -5.01 117.98 112.91 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 -0.03 0.42 -0.05 0.00 0.00 175.22 174.61 2ha1 s ILE 8 N -3.98 3.93 0.09 -4.49 1.01 -1.26 -3.60 121.20 112.90 2ha1 s ILE 8 Ca 0.19 -0.35 -0.02 0.00 0.00 0.00 0.00 60.65 60.47 2ha1 s ILE 8 Cb -0.00 -2.71 -0.03 0.00 0.01 0.00 0.00 42.46 39.72 2ha1 s ILE 8 CO 0.05 0.51 0.04 0.42 0.00 0.00 0.00 174.94 175.96 2ha1 s THR 9 N 0.22 0.16 -0.25 2.92 -4.23 -1.26 -4.83 115.64 108.36 2ha1 s THR 9 Ca -0.02 -1.76 -0.03 0.00 -1.18 0.00 0.00 61.69 58.70 2ha1 s THR 9 Cb -0.14 -1.72 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 -0.62 -0.54 0.00 0.00 174.62 172.85 2ha1 n GLU 10 N -0.00 -2.30 -3.38 3.99 1.02 -1.26 -4.76 120.64 113.95 2ha1 n GLU 10 Ca -0.11 0.02 -0.27 0.00 -0.02 0.00 0.00 57.16 56.79 2ha1 n GLU 10 Cb 0.62 -3.64 -0.08 0.00 -0.02 0.00 0.00 31.44 28.32 2ha1 n GLU 10 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2ha1 n THR 11 N -2.23 2.02 0.24 2.62 -2.24 -1.26 -4.89 114.28 108.53 2ha1 n THR 11 Ca 0.02 -5.09 0.07 0.00 -2.27 0.00 0.00 64.05 56.78 2ha1 n THR 11 Cb 0.39 -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 4.11 0.00 0.00 -0.78 0.13 -2.00 -3.46 132.00 130.00 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 -4.23 0.00 -4.38 1.44 7.64 -1.26 -5.01 113.62 107.82 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 63.32 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 -1.84 1.42 -0.06 1.43 -1.52 -1.08 -4.88 119.66 113.13 2ha1 s GLN 14 Ca 0.00 -1.59 -0.01 0.00 -1.95 0.00 0.00 55.36 51.81 2ha1 s GLN 14 Cb 0.00 -1.41 -0.00 0.00 -0.22 0.00 0.00 33.01 31.38 2ha1 s GLN 14 CO 0.00 0.26 -0.02 -1.00 -0.25 0.00 0.00 175.29 174.28 2ha1 h PRO 15 N 2.71 0.00 0.00 2.91 0.13 -1.86 -2.52 132.00 133.37 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 -1.71 -0.23 0.00 0.00 178.00 175.10 2ha1 n ASN 16 N -3.59 2.04 -4.74 1.44 5.15 -1.26 -3.53 115.26 110.77 2ha1 n ASN 16 Ca -0.01 -0.03 -0.29 0.00 -0.60 0.00 0.00 54.58 53.65 2ha1 n ASN 16 Cb 0.03 1.55 -0.07 0.00 -0.53 0.00 0.00 39.78 40.77 2ha1 n ASN 16 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 2ha1 s SER 17 N -3.40 5.27 -0.28 1.20 1.04 -1.26 -0.07 113.70 116.19 2ha1 s SER 17 Ca -0.04 -0.15 0.02 0.00 0.48 0.00 0.00 55.95 56.26 2ha1 s SER 17 Cb 0.08 -1.32 0.17 0.00 0.10 0.00 0.00 66.02 65.05 2ha1 s SER 17 CO 0.53 0.13 0.48 -2.28 0.98 0.00 0.00 173.24 173.08 2ha1 s HIS 18 N -1.51 -1.31 0.30 5.02 5.04 0.40 -4.36 115.29 118.88 2ha1 s HIS 18 Ca 0.28 0.80 -0.22 0.00 -1.54 0.00 0.00 55.06 54.39 2ha1 s HIS 18 Cb -0.11 0.10 -0.09 0.00 0.04 0.00 0.00 32.58 32.52 2ha1 s HIS 18 CO 0.21 -0.96 0.85 -1.25 -2.34 0.00 0.00 174.74 171.24 2ha1 s PRO 19 N 2.67 4.37 0.27 2.88 0.04 -1.26 -1.58 135.00 142.38 2ha1 s PRO 19 Ca 0.12 1.08 0.03 0.00 0.04 0.00 0.00 61.00 62.27 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 -0.26 0.27 0.04 0.96 0.04 0.00 0.00 177.00 178.05 2ha1 s ILE 20 N -1.69 0.99 -0.04 0.56 -4.36 -1.24 -4.83 121.20 110.60 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 -2.56 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 -2.16 119.66 113.16 2ha1 s GLN 21 Ca 0.33 -0.07 -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 34.33 2ha1 s GLN 21 CO 0.12 -0.15 0.04 1.67 -2.12 0.00 0.00 175.29 174.85 2ha1 s TRP 22 N -1.02 0.33 0.14 0.91 -2.14 -0.84 -2.31 118.94 114.01 2ha1 s TRP 22 Ca -0.11 -0.76 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 -0.10 -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 -2.19 2.17 1.08 0.60 0.00 -1.26 -1.59 121.76 120.58 2ha1 s ALA 24 Ca 0.12 -1.75 -0.17 0.00 0.00 0.00 0.00 51.96 50.16 2ha1 s ALA 24 Cb -0.05 0.94 0.12 0.00 0.00 0.00 0.00 23.12 24.14 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 0.88 0.43 -2.14 -0.67 0.00 0.00 178.83 177.60 2ha1 s PRO 27 N -2.20 2.62 0.00 1.46 0.02 -1.26 -4.78 135.00 130.86 2ha1 s PRO 27 Ca -0.20 1.73 -0.00 0.00 0.02 0.00 0.00 61.00 62.55 2ha1 s PRO 27 Cb -0.00 -1.90 -0.01 0.00 0.02 0.00 0.00 34.50 32.61 2ha1 s PRO 27 CO 0.59 -1.46 0.53 -1.13 -0.33 0.00 0.00 177.00 175.20 2ha1 n SER 28 N -2.16 0.98 -0.23 2.53 3.41 -1.26 -4.06 113.62 112.83 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 3.89 1.02 -3.55 7.33 6.17 -1.91 -3.42 115.15 124.68 2ha1 h HIS 29 Ca 0.01 -0.09 -0.68 0.00 0.71 0.00 0.00 60.37 60.32 2ha1 h HIS 29 Cb 0.21 -0.30 -0.19 0.00 2.52 0.00 0.00 27.41 29.64 2ha1 h HIS 29 CO 0.60 0.81 -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 40.03 2ha1 s ILE 30 CO 0.81 0.58 0.00 -1.20 0.00 0.00 0.00 174.94 175.13 2ha1 n SER 31 N 2.49 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 3.97 -0.13 1.43 1.02 -0.76 -3.18 119.74 121.37 2ha1 s LYS 32 Ca 0.00 0.54 0.02 0.00 0.02 0.00 0.00 55.97 56.55 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 2.44 -0.07 3.18 2.02 -0.76 -1.17 117.35 121.21 2ha1 s TYR 33 Ca 0.48 -1.22 0.05 0.00 -0.37 0.00 0.00 57.07 56.00 2ha1 s TYR 33 Cb -0.12 -1.69 -0.01 0.00 -0.40 0.00 0.00 41.96 39.74 2ha1 s TYR 33 CO 0.19 -0.58 -0.21 0.42 -1.57 0.00 0.00 175.55 173.80 2ha1 s ILE 34 N 0.90 2.37 -0.11 2.71 1.01 0.13 0.68 121.20 128.89 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 -0.11 118.68 124.57 2ha1 s LEU 35 Ca -0.04 -0.57 0.03 0.00 -1.03 0.00 0.00 54.13 52.53 2ha1 s LEU 35 Cb -0.14 -1.41 -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 0.47 0.97 0.12 1.70 1.70 -0.48 -0.27 118.95 123.17 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 -0.33 0.40 118.94 122.76 2ha1 s TRP 37 Ca 0.03 -0.84 -0.25 0.00 2.66 0.00 0.00 56.10 57.70 2ha1 s TRP 37 Cb -0.05 -0.18 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 0.81 -0.13 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 34.76 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 3.73 -0.43 3.89 0.04 -1.26 -1.03 135.00 140.37 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 -4.18 -0.10 0.00 0.04 0.00 0.00 34.50 30.21 2ha1 s PRO 39 CO -0.00 -1.40 1.47 1.17 0.04 0.00 0.00 177.00 178.28 2ha1 n LYS 40 N 7.92 0.05 0.00 4.56 4.81 -0.14 -3.27 118.16 132.09 2ha1 n LYS 40 Ca 0.22 -0.56 0.00 0.00 -0.87 0.00 0.00 58.31 57.10 2ha1 n LYS 40 Cb 0.44 -2.01 0.00 0.00 0.02 0.00 0.00 35.03 33.47 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 9.91 0.00 -3.52 3.14 5.03 -1.26 -4.90 115.26 123.67 2ha1 n ASN 41 Ca 0.19 0.00 -0.13 0.00 0.87 0.00 0.00 54.58 55.51 2ha1 n ASN 41 Cb 0.46 0.00 -0.04 0.00 -1.02 0.00 0.00 39.78 39.19 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 -0.46 -0.19 6.41 1.04 -1.20 -5.05 113.70 114.18 2ha1 s SER 42 Ca 0.00 0.03 0.13 0.00 0.48 0.00 0.00 55.95 56.59 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 -3.00 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 -0.06 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 -0.41 1.67 0.00 1.61 0.52 -1.26 -5.13 118.95 115.95 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 0.49 -0.88 -4.17 -0.53 4.27 -1.26 -4.95 117.44 110.41 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 33.80 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 -3.04 -0.93 -0.08 -0.84 0.00 0.63 -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 0.00 175.76 175.95 2ha1 s THR 50 N -3.39 2.89 -0.12 0.00 2.01 -1.26 -1.21 115.64 114.55 2ha1 s THR 50 Ca 0.00 -0.76 0.01 0.00 0.31 0.00 0.00 61.69 61.25 2ha1 s THR 50 Cb 0.01 -2.15 0.02 0.00 0.01 0.00 0.00 72.50 70.39 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 0.21 -4.97 121.20 121.08 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 4.63 0.27 0.30 2.79 -0.02 -1.26 -1.83 135.00 139.87 2ha1 n PRO 52 Ca -0.16 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 0.96 0.00 -0.02 0.00 0.00 33.50 33.47 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 1.72 -1.23 0.00 -1.91 -2.04 103.07 99.53 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 0.00 176.54 177.85 2ha1 h HIS 54 N 0.00 0.00 -3.14 5.60 2.07 -1.88 -3.45 115.15 114.34 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 -5.05 4.47 -0.05 6.12 1.43 -0.77 -4.97 118.68 119.87 2ha1 s LEU 55 Ca 0.07 1.06 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 51.97 2ha1 n ASN 56 Cb 0.52 -0.16 -0.10 0.00 -2.36 0.00 0.00 39.78 37.68 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 -1.63 -0.31 0.00 0.53 1.04 -1.26 -1.99 113.70 110.07 2ha1 s SER 57 Ca 0.12 0.51 0.00 0.00 0.48 0.00 0.00 55.95 57.05 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 -0.72 -3.68 5.02 9.36 -0.92 -5.01 117.16 123.52 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 0.99 0.22 0.00 0.00 176.86 178.07 2ha1 s THR 59 N -0.37 -0.27 -0.18 2.97 2.01 -1.26 -3.61 115.64 114.93 2ha1 s THR 59 Ca 0.00 0.13 -0.01 0.00 0.31 0.00 0.00 61.69 62.11 2ha1 s THR 59 Cb 0.00 -0.63 -0.00 0.00 0.01 0.00 0.00 72.50 71.88 2ha1 s THR 59 CO 0.00 0.05 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.24 2ha1 s ILE 60 N 1.89 2.91 0.25 1.82 1.01 -0.62 -4.98 121.20 123.49 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 -0.14 -1.26 0.15 119.74 123.81 2ha1 s LYS 61 Ca -0.00 -1.71 0.00 0.00 -1.36 0.00 0.00 55.97 52.90 2ha1 s LYS 61 Cb -0.15 -1.10 0.00 0.00 -1.68 0.00 0.00 37.83 34.91 2ha1 s LYS 61 CO -0.03 0.07 0.00 0.41 -0.76 0.00 0.00 175.35 175.05 2ha1 n GLY 62 N -0.50 0.55 3.85 -3.33 0.00 -0.54 -4.96 105.19 100.25 2ha1 n GLY 62 Ca -0.06 -0.74 -0.32 0.00 0.00 0.00 0.00 46.02 44.90 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 3.41 -0.16 0.99 1.43 0.90 -5.05 118.68 120.19 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 0.00 176.35 175.37 2ha1 s LYS 64 N -4.62 3.92 0.41 1.70 3.01 -1.26 -4.21 119.74 118.70 2ha1 s LYS 64 Ca 0.58 -0.14 -0.25 0.00 -1.01 0.00 0.00 55.97 55.14 2ha1 s LYS 64 Cb -0.11 -3.33 -0.08 0.00 -1.01 0.00 0.00 37.83 33.29 2ha1 s LYS 64 CO 0.43 0.48 1.24 -1.25 0.51 0.00 0.00 175.35 176.76 2ha1 s PRO 65 N -0.17 3.97 -1.02 -1.68 0.04 -1.23 -2.99 135.00 131.91 2ha1 s PRO 65 Ca 0.12 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.16 2ha1 s PRO 65 Cb -0.12 -2.69 0.00 0.00 0.04 0.00 0.00 34.50 31.73 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 3.31 0.56 0.00 0.29 -4.98 105.19 105.50 2ha1 n GLY 66 Ca 0.04 -0.48 -0.18 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 1.54 -0.03 1.61 0.11 -1.10 -4.99 120.40 115.06 2ha1 s VAL 67 Ca 0.00 -2.08 0.06 0.00 -2.93 0.00 0.00 61.98 57.03 2ha1 s VAL 67 Cb 0.00 -1.90 -0.02 0.00 -1.53 0.00 0.00 36.38 32.92 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 -2.87 2.53 -0.04 2.04 0.11 -1.26 -0.76 120.40 120.15 2ha1 s VAL 68 Ca 0.19 -0.93 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 -0.66 2.10 -0.18 1.54 2.02 -0.52 -0.97 117.35 120.68 2ha1 s TYR 69 Ca 0.11 -0.57 -0.11 0.00 -0.37 0.00 0.00 57.07 56.13 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 -0.16 0.18 -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 -1.53 118.70 119.42 2ha1 s GLU 70 Ca -0.01 -0.12 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 0.33 -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 0.23 -1.17 107.32 104.37 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 -1.60 -0.07 1.20 0.00 0.00 0.00 173.10 172.64 2ha1 s GLN 72 N -2.61 0.54 -0.21 2.90 -0.21 0.16 0.51 119.66 120.73 2ha1 s GLN 72 Ca 0.18 -0.28 -0.01 0.00 0.02 0.00 0.00 55.36 55.26 2ha1 s GLN 72 Cb -0.08 -0.50 0.01 0.00 1.00 0.00 0.00 33.01 33.44 2ha1 s GLN 72 CO 0.08 0.13 -0.11 -1.17 -2.12 0.00 0.00 175.29 172.11 2ha1 s LEU 73 N -0.28 2.66 -0.14 2.90 2.96 0.21 -1.39 118.68 125.61 2ha1 s LEU 73 Ca 0.02 -0.59 -0.01 0.00 -0.22 0.00 0.00 54.13 53.32 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 -0.03 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.27 2ha1 s ILE 74 N 1.37 3.32 -0.22 6.68 1.01 0.85 0.62 121.20 134.83 2ha1 s ILE 74 Ca 0.04 -0.56 -0.04 0.00 0.00 0.00 0.00 60.65 60.09 2ha1 s ILE 74 Cb -0.14 -2.42 -0.01 0.00 0.01 0.00 0.00 42.46 39.89 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 0.45 4.45 0.01 3.58 1.04 0.65 0.23 113.70 124.11 2ha1 s SER 75 Ca -0.08 -0.35 -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 4.83 0.15 -1.02 1.09 -0.31 -1.31 121.20 126.03 2ha1 s ILE 76 Ca 0.05 -0.43 0.05 0.00 -1.10 0.00 0.00 60.65 59.21 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 -0.02 0.30 0.11 -1.10 -0.10 0.00 0.00 174.94 174.13 2ha1 s GLN 77 N -1.92 2.85 -0.83 2.79 -0.21 -0.61 -1.51 119.66 120.22 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 1.92 1.04 -2.12 0.00 0.00 175.29 176.79 2ha1 n GLN 78 N -0.16 0.00 -2.98 2.91 6.02 -1.26 -0.59 117.38 121.32 2ha1 n GLN 78 Ca -0.09 0.00 -0.11 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 30.82 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 5.15 -1.77 0.00 1.08 4.01 -1.26 -4.80 117.16 119.57 2ha1 n TYR 79 Ca 0.56 0.17 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 0.24 -5.13 105.19 107.57 2ha1 n GLY 80 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 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 2.74 1.68 -0.01 1.61 3.76 -1.26 -4.80 115.29 119.00 2ha1 s HIS 81 Ca 0.00 0.27 -0.13 0.00 -0.15 0.00 0.00 55.06 55.06 2ha1 s HIS 81 Cb 0.00 -3.95 0.02 0.00 1.11 0.00 0.00 32.58 29.76 2ha1 s HIS 81 CO 0.00 -2.49 0.26 -0.65 -0.85 0.00 0.00 174.74 171.02 2ha1 s GLN 82 N -5.78 0.60 0.01 1.40 -0.21 -1.26 -1.58 119.66 112.84 2ha1 s GLN 82 Ca 0.72 -0.22 0.00 0.00 0.02 0.00 0.00 55.36 55.89 2ha1 s GLN 82 Cb -0.04 0.27 -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 -1.27 0.21 -0.03 2.91 2.56 -0.42 -3.20 118.70 119.46 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 -0.25 120.40 123.23 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 0.00 175.10 171.02 2ha1 s THR 85 N 0.04 1.66 -0.04 5.04 2.01 0.20 -4.55 115.64 120.00 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 2.37 0.17 4.92 3.52 -1.26 0.68 118.95 128.67 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 -2.20 0.01 0.00 -1.56 0.00 0.00 34.95 31.12 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 -4.98 117.98 117.14 2ha1 s PHE 87 Ca 0.07 -0.42 -0.08 0.00 -1.04 0.00 0.00 56.93 55.46 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 0.16 0.16 -1.34 0.00 0.00 175.22 173.39 2ha1 s ASP 88 N -2.90 0.03 0.26 1.98 1.47 -1.26 0.74 116.67 116.99 2ha1 s ASP 88 Ca 0.11 -0.26 -0.05 0.00 1.18 0.00 0.00 52.55 53.53 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 -1.76 0.90 0.29 2.11 -0.71 -0.58 -4.94 117.98 113.28 2ha1 s PHE 89 Ca -0.12 -1.15 0.11 0.00 -1.04 0.00 0.00 56.93 54.74 2ha1 s PHE 89 Cb -0.05 -0.19 -0.05 0.00 -1.21 0.00 0.00 43.02 41.52 2ha1 s PHE 89 CO 0.00 -0.90 -0.15 -0.08 -1.34 0.00 0.00 175.22 172.75 2ha1 s THR 90 N -3.79 2.62 -0.08 -4.49 -1.32 -1.26 -1.44 115.64 105.89 2ha1 s THR 90 Ca 0.31 -2.29 -0.01 0.00 -1.21 0.00 0.00 61.69 58.50 2ha1 s THR 90 Cb 0.02 -2.44 0.03 0.00 -1.51 0.00 0.00 72.50 68.59 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 0.22 5.08 2.01 0.07 -4.90 115.64 116.24 2ha1 s THR 91 Ca 0.31 -0.05 0.07 0.00 0.31 0.00 0.00 61.69 62.33 2ha1 s THR 91 Cb -0.04 -0.70 -0.05 0.00 0.01 0.00 0.00 72.50 71.72 2ha1 s THR 91 CO 0.16 0.29 -0.12 0.42 -0.69 0.00 0.00 174.62 174.68 2ha1 s THR 92 N 1.69 1.68 0.09 -0.82 -4.23 -0.95 -0.55 115.64 112.55 2ha1 s THR 92 Ca 0.02 -2.18 0.05 0.00 -1.18 0.00 0.00 61.69 58.39 2ha1 s THR 92 Cb -0.13 -2.15 -0.03 0.00 1.34 0.00 0.00 72.50 71.53 2ha1 s THR 92 CO -0.05 -0.52 -0.13 -0.55 -0.54 0.00 0.00 174.62 172.84 2ha1 s SER 93 N -3.34 1.69 0.03 3.99 0.15 -1.26 -2.45 113.70 112.52 2ha1 s SER 93 Ca 0.24 -0.74 0.04 0.00 0.70 0.00 0.00 55.95 56.19 2ha1 s SER 93 Cb 0.01 -0.04 0.18 0.00 -1.71 0.00 0.00 66.02 64.46 2ha1 s SER 93 CO 0.08 -0.16 1.11 0.35 1.20 0.00 0.00 173.24 175.82 2ha1 n THR 94 N 0.83 1.81 -1.18 6.45 -2.24 -1.26 -4.66 114.28 114.03 2ha1 n THR 94 Ca -0.18 0.50 -0.30 0.00 -2.27 0.00 0.00 64.05 61.80 2ha1 n THR 94 Cb 0.56 -1.48 0.13 0.00 -2.10 0.00 0.00 70.33 67.44 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 -3.11 3.75 0.33 3.42 1.04 -1.26 -4.99 113.70 112.87 2ha1 s SER 95 Ca 0.00 1.65 0.07 0.00 0.48 0.00 0.00 55.95 58.15 2ha1 s SER 95 Cb 0.01 -2.32 -0.02 0.00 0.10 0.00 0.00 66.02 63.80 2ha1 s SER 95 CO 0.05 -2.49 0.41 0.42 0.98 0.00 0.00 173.24 172.61 2ha1 s THR 96 N -2.89 3.96 0.48 2.02 -4.23 -1.26 -5.05 115.64 108.65 2ha1 s THR 96 Ca 0.63 -1.12 -0.22 0.00 -1.18 0.00 0.00 61.69 59.80 2ha1 s THR 96 Cb -0.18 -3.36 -0.09 0.00 1.34 0.00 0.00 72.50 70.21 2ha1 s THR 96 CO 0.57 -0.17 0.91 -2.65 -0.54 0.00 0.00 174.62 172.74 2ha1 n PRO 97 N -1.54 1.11 -4.84 3.99 -0.02 -1.26 -4.97 135.00 127.47 2ha1 n PRO 97 Ca -0.01 0.41 -0.33 0.00 -2.02 0.00 0.00 63.50 61.55 2ha1 n PRO 97 Cb 0.59 -1.99 -0.14 0.00 -0.02 0.00 0.00 33.50 31.93 2ha1 n PRO 97 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2ha1 s VAL 98 N -1.39 3.06 0.37 -1.45 1.01 -1.26 -5.01 120.40 115.73 2ha1 s VAL 98 Ca 0.66 -0.69 0.17 0.00 0.00 0.00 0.00 61.98 62.12 2ha1 s VAL 98 Cb -0.52 -2.24 0.16 0.00 0.00 0.00 0.00 36.38 33.78 2ha1 s VAL 98 CO 0.55 0.56 1.90 0.71 0.00 0.00 0.00 175.10 178.82 2ha1 h THR 99 N 4.84 1.04 0.00 3.92 1.35 -2.07 -3.47 112.91 118.52 2ha1 h THR 99 Ca -0.37 -1.01 0.00 0.00 -0.55 0.00 0.00 66.41 64.49 2ha1 h THR 99 Cb 1.18 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 69.17 2ha1 h THR 99 CO 0.53 0.27 0.00 -1.20 -0.25 0.00 0.00 175.52 174.87 2ha1 n SER 100 N -3.97 0.00 -3.54 5.36 7.64 -1.26 -4.88 113.62 112.96 2ha1 n SER 100 Ca -0.02 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.65 2ha1 n SER 100 Cb 0.35 0.00 0.08 0.00 -1.01 0.00 0.00 64.21 63.63 2ha1 n SER 100 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2ha1 n ASN 101 N -1.89 -4.01 -4.78 6.43 4.05 -1.26 -4.97 115.26 108.83 2ha1 n ASN 101 Ca 0.00 -0.61 -0.39 0.00 0.45 0.00 0.00 54.58 54.03 2ha1 n ASN 101 Cb 0.00 -4.96 -0.06 0.00 1.23 0.00 0.00 39.78 35.99 2ha1 n ASN 101 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 2ha1 s THR 102 N -3.36 4.56 0.01 -0.44 2.01 -1.26 -5.07 115.64 112.08 2ha1 s THR 102 Ca 0.29 1.51 0.04 0.00 0.31 0.00 0.00 61.69 63.84 2ha1 s THR 102 Cb -0.13 -4.04 -0.01 0.00 0.01 0.00 0.00 72.50 68.32 2ha1 s THR 102 CO 0.74 0.51 -0.13 0.54 -0.69 0.00 0.00 174.62 175.60 2ha1 s VAL 103 N -0.98 1.01 0.01 3.82 0.11 -1.26 -5.15 120.40 117.95 2ha1 s VAL 103 Ca 0.33 -0.71 0.07 0.00 -2.93 0.00 0.00 61.98 58.74 2ha1 s VAL 103 Cb -0.21 -0.87 -0.02 0.00 -1.53 0.00 0.00 36.38 33.74 2ha1 s VAL 103 CO 0.23 0.16 -0.22 -0.89 -3.33 0.00 0.00 175.10 171.05 2ha1 s THR 104 N -0.52 1.71 0.00 5.04 2.01 -1.26 -4.68 115.64 117.94 2ha1 s THR 104 Ca 0.03 -1.05 0.00 0.00 0.31 0.00 0.00 61.69 60.99 2ha1 s THR 104 Cb -0.06 -1.45 0.00 0.00 0.01 0.00 0.00 72.50 71.00 2ha1 s THR 104 CO 0.00 0.38 0.00 0.61 -0.69 0.00 0.00 174.62 174.92 2ha1 n GLY 105 N 2.26 0.80 0.35 4.40 0.00 -1.26 -4.95 105.19 106.78 2ha1 n GLY 105 Ca -0.16 -0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.98 2ha1 n GLY 105 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2ha1 h GLU 106 N 2.77 0.35 -6.01 1.61 4.57 -2.04 -3.42 114.58 112.40 2ha1 h GLU 106 Ca 0.00 -0.02 -0.59 0.00 -1.18 0.00 0.00 59.36 57.56 2ha1 h GLU 106 Cb 0.00 -0.08 -0.14 0.00 -0.16 0.00 0.00 28.75 28.37 2ha1 h GLU 106 CO 0.00 0.23 -0.72 0.95 -1.18 0.00 0.00 179.01 178.29 2ha1 s THR 107 N -5.34 2.28 -0.62 0.32 -4.23 -1.26 -5.10 115.64 101.68 2ha1 s THR 107 Ca -0.07 -2.30 0.05 0.00 -1.18 0.00 0.00 61.69 58.19 2ha1 s THR 107 Cb 0.19 -2.43 0.17 0.00 1.34 0.00 0.00 72.50 71.77 2ha1 s THR 107 CO 0.74 -0.33 0.46 0.41 -0.54 0.00 0.00 174.62 175.36 2ha1 n THR 108 N -0.67 0.79 -1.61 3.99 -1.04 -1.26 -5.11 114.28 109.36 2ha1 n THR 108 Ca -0.05 -4.44 -0.40 0.00 -2.04 0.00 0.00 64.05 57.11 2ha1 n THR 108 Cb 0.62 -2.02 0.02 0.00 -1.82 0.00 0.00 70.33 67.13 2ha1 n THR 108 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2ha1 n PRO 109 N 2.18 1.24 -3.77 -2.82 -0.02 -1.26 -4.99 135.00 125.57 2ha1 n PRO 109 Ca 0.23 0.45 -0.36 0.00 -2.02 0.00 0.00 63.50 61.80 2ha1 n PRO 109 Cb 0.39 -2.10 -0.07 0.00 -0.02 0.00 0.00 33.50 31.71 2ha1 n PRO 109 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2ha1 s PHE 110 N -1.36 3.53 -0.52 6.00 5.36 -1.26 -5.07 117.98 124.66 2ha1 s PHE 110 Ca 0.67 0.51 -0.02 0.00 -0.96 0.00 0.00 56.93 57.13 2ha1 s PHE 110 Cb -0.50 -2.08 0.14 0.00 -0.34 0.00 0.00 43.02 40.23 2ha1 s PHE 110 CO 0.54 0.53 0.32 -1.12 -1.46 0.00 0.00 175.22 174.03 2ha1 s SER 111 N -0.42 5.14 0.36 6.13 0.01 -1.26 -4.94 113.70 118.71 2ha1 s SER 111 Ca 0.14 -2.54 0.25 0.00 1.31 0.00 0.00 55.95 55.11 2ha1 s SER 111 Cb -0.12 -1.82 1.28 0.00 0.21 0.00 0.00 66.02 65.58 2ha1 s SER 111 CO 0.03 -0.42 1.76 1.55 0.41 0.00 0.00 173.24 176.57 2ha1 h PRO 112 N 7.38 0.00 -0.88 12.44 0.13 -1.99 -2.85 132.00 146.22 2ha1 h PRO 112 Ca -0.06 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 65.20 2ha1 h PRO 112 Cb 0.98 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.05 2ha1 h PRO 112 CO 0.70 0.00 0.57 1.25 -0.23 0.00 0.00 178.00 180.29 2ha1 h LEU 113 N 0.00 0.68 -8.67 1.56 5.85 -1.99 -3.42 115.31 109.33 2ha1 h LEU 113 Ca 0.00 0.04 -0.48 0.00 0.84 0.00 0.00 57.88 58.27 2ha1 h LEU 113 Cb 0.09 -0.10 -0.19 0.00 0.37 0.00 0.00 40.66 40.83 2ha1 h LEU 113 CO 0.00 0.36 -0.79 0.68 -0.34 0.00 0.00 178.44 178.35 2ha1 s VAL 114 N -5.70 1.55 0.37 1.05 -7.23 -1.08 -5.04 120.40 104.32 2ha1 s VAL 114 Ca -0.10 -1.68 0.09 0.00 -1.81 0.00 0.00 61.98 58.47 2ha1 s VAL 114 Cb 0.22 -1.58 0.15 0.00 0.56 0.00 0.00 36.38 35.73 2ha1 s VAL 114 CO 0.79 -0.27 1.89 0.00 -0.31 0.00 0.00 175.10 177.20 2ha1 h ALA 115 N 3.67 1.45 -4.57 1.32 0.00 -1.85 -3.43 119.26 115.85 2ha1 h ALA 115 Ca -0.42 -0.23 -0.70 0.00 0.00 0.00 0.00 54.91 53.56 2ha1 h ALA 115 Cb 1.19 -0.09 -0.30 0.00 0.00 0.00 0.00 17.79 18.60 2ha1 h ALA 115 CO 0.47 0.39 -0.89 0.99 0.00 0.00 0.00 179.25 180.20 2ha1 s THR 116 N -4.69 2.07 0.73 0.00 2.01 -1.26 -5.12 115.64 109.38 2ha1 s THR 116 Ca -0.06 -1.13 -0.15 0.00 0.31 0.00 0.00 61.69 60.66 2ha1 s THR 116 Cb 0.15 -1.72 0.04 0.00 0.01 0.00 0.00 72.50 70.98 2ha1 s THR 116 CO 0.74 0.56 1.20 -0.44 -0.69 0.00 0.00 174.62 175.98 2ha1 s SER 117 N -0.68 4.25 0.26 3.53 0.01 -1.26 -5.04 113.70 114.77 2ha1 s SER 117 Ca 0.10 2.32 0.09 0.00 1.31 0.00 0.00 55.95 59.77 2ha1 s SER 117 Cb -0.10 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.50 2ha1 s SER 117 CO -0.01 -2.23 0.06 -1.61 0.41 0.00 0.00 173.24 169.86 2ha1 s GLU 118 N -3.95 2.49 0.90 12.44 0.41 -1.26 -5.12 118.70 124.61 2ha1 s GLU 118 Ca 0.73 -1.30 -0.11 0.00 -0.41 0.00 0.00 54.97 53.88 2ha1 s GLU 118 Cb -0.28 -2.29 0.13 0.00 -1.78 0.00 0.00 34.13 29.91 2ha1 s GLU 118 CO 0.45 0.38 1.10 -1.54 -0.49 0.00 0.00 175.26 175.16 2ha1 s SER 119 N -3.71 3.30 -0.10 -0.19 1.04 -1.26 -5.02 113.70 107.76 2ha1 s SER 119 Ca 0.32 1.84 0.01 0.00 0.48 0.00 0.00 55.95 58.60 2ha1 s SER 119 Cb -0.07 -2.43 -0.02 0.00 0.10 0.00 0.00 66.02 63.60 2ha1 s SER 119 CO 0.21 -2.80 -0.12 -0.69 0.98 0.00 0.00 173.24 170.83 2ha1 s VAL 120 N -2.77 3.21 0.28 5.02 1.01 -1.26 -5.12 120.40 120.77 2ha1 s VAL 120 Ca 0.64 -0.63 0.09 0.00 0.00 0.00 0.00 61.98 62.08 2ha1 s VAL 120 Cb -0.20 -2.32 -0.06 0.00 0.00 0.00 0.00 36.38 33.80 2ha1 s VAL 120 CO 0.58 0.55 -0.11 0.42 0.00 0.00 0.00 175.10 176.54 2ha1 s THR 121 N -0.15 1.96 0.38 3.92 -4.23 -1.26 -5.11 115.64 111.15 2ha1 s THR 121 Ca -0.00 -2.21 -0.27 0.00 -1.18 0.00 0.00 61.69 58.02 2ha1 s THR 121 Cb -0.13 -2.39 -0.11 0.00 1.34 0.00 0.00 72.50 71.21 2ha1 s THR 121 CO 0.03 -0.35 1.38 -0.62 -0.54 0.00 0.00 174.62 174.52 2ha1 n GLU 122 N -0.60 2.32 -4.89 3.99 1.02 -1.26 -5.00 120.64 116.22 2ha1 n GLU 122 Ca -0.06 0.82 -0.26 0.00 -0.02 0.00 0.00 57.16 57.64 2ha1 n GLU 122 Cb 0.62 -2.50 -0.15 0.00 -0.02 0.00 0.00 31.44 29.39 2ha1 n GLU 122 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 2ha1 s ILE 123 N -1.13 1.50 0.25 -3.67 1.10 -1.26 -5.15 121.20 112.84 2ha1 s ILE 123 Ca 0.56 -0.83 0.11 0.00 -0.51 0.00 0.00 60.65 59.97 2ha1 s ILE 123 Cb -0.51 -1.25 -0.05 0.00 0.15 0.00 0.00 42.46 40.80 2ha1 s ILE 123 CO 0.62 0.40 -0.18 0.42 -2.11 0.00 0.00 174.94 174.09 2ha1 s THR 124 N -0.47 2.23 0.05 4.00 -4.23 -1.26 -4.88 115.64 111.08 2ha1 s THR 124 Ca 0.07 -2.31 -0.11 0.00 -1.18 0.00 0.00 61.69 58.16 2ha1 s THR 124 Cb -0.07 -2.20 0.01 0.00 1.34 0.00 0.00 72.50 71.58 2ha1 s THR 124 CO -0.01 -0.44 0.24 0.00 -0.54 0.00 0.00 174.62 173.88 2ha1 s ALA 125 N -2.59 -0.49 -0.11 3.99 0.00 -1.26 -4.86 121.76 116.44 2ha1 s ALA 125 Ca 0.27 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.03 2ha1 s ALA 125 Cb -0.04 0.33 0.00 0.00 0.00 0.00 0.00 23.12 23.41 2ha1 s ALA 125 CO 0.12 -0.41 0.00 -1.13 0.00 0.00 0.00 175.76 174.34 2ha1 n SER 126 N 0.53 -0.29 -4.35 0.00 3.41 -1.26 -3.00 113.62 108.67 2ha1 n SER 126 Ca -0.18 0.03 -0.32 0.00 -0.26 0.00 0.00 58.87 58.14 2ha1 n SER 126 Cb 0.60 -0.72 0.18 0.00 -0.26 0.00 0.00 64.21 64.00 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 0.95 -2.12 -4.07 4.04 3.41 -1.26 -4.57 113.62 110.00 2ha1 n SER 127 Ca -0.01 -0.04 -0.17 0.00 -0.26 0.00 0.00 58.87 58.40 2ha1 n SER 127 Cb 0.04 -1.07 -0.13 0.00 -0.26 0.00 0.00 64.21 62.78 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 -2.31 0.84 -0.31 7.33 0.08 -0.27 -4.94 117.98 118.39 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 0.04 0.08 -0.10 0.00 0.00 175.22 175.89 2ha1 s VAL 129 N -0.82 1.77 -0.06 -0.44 1.01 -1.26 0.34 120.40 120.94 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 34.02 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 3.27 0.11 2.92 1.01 -0.81 -4.98 120.40 123.10 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 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 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 -0.72 2.03 0.00 3.32 1.04 -1.26 -1.19 113.70 116.91 2ha1 s SER 131 Ca 0.11 -0.73 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 0.84 -0.12 -4.67 5.02 2.14 -0.19 -4.98 117.44 115.48 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 -4.79 120.40 113.48 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 -1.47 0.00 0.00 0.00 0.00 0.00 36.38 34.91 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 3.97 0.00 -0.86 3.32 3.41 -1.26 -4.58 113.62 117.61 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 4.42 0.00 0.00 7.33 0.00 -1.26 -3.87 120.51 127.13 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 0.21 0.00 -0.01 0.00 7.64 -1.26 -5.01 113.62 115.18 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 0.40 0.00 -1.01 0.00 0.00 64.21 63.60 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 -0.35 6.43 8.00 -1.25 -3.34 116.55 126.39 2ha1 n ASP 137 Ca 0.00 -0.03 0.14 0.00 0.71 0.00 0.00 54.79 55.61 2ha1 n ASP 137 Cb 0.00 -0.02 0.64 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 0.22 -0.02 0.00 -2.10 0.00 0.00 70.33 68.76 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 2.60 -0.50 2.28 0.11 -1.21 -2.89 120.40 118.78 2ha1 s VAL 139 Ca 0.40 0.54 0.22 0.00 -2.93 0.00 0.00 61.98 60.22 2ha1 s VAL 139 Cb 0.21 -3.34 -0.18 0.00 -1.53 0.00 0.00 36.38 31.54 2ha1 s VAL 139 CO 0.34 0.10 0.88 -1.54 -3.33 0.00 0.00 175.10 171.55 2ha1 n SER 140 N 1.63 0.54 0.00 3.54 3.41 1.29 -4.60 113.62 119.43 2ha1 n SER 140 Ca 0.04 -0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 2ha1 n SER 140 Cb 0.41 1.09 0.00 0.00 -0.26 0.00 0.00 64.21 65.45 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 1.97 -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 41.43 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 1.09 -0.12 0.44 3.52 0.91 0.44 118.95 123.01 2ha1 s ARG 143 Ca 0.12 -0.09 -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 32.01 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 4.60 -0.06 7.11 1.01 0.91 -0.72 120.40 134.95 2ha1 s VAL 144 Ca 0.03 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 61.90 2ha1 s VAL 144 Cb -0.13 -2.99 0.01 0.00 0.00 0.00 0.00 36.38 33.28 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 -0.48 1.61 -0.01 2.72 2.12 -0.75 -0.36 118.70 123.54 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 0.71 0.18 0.10 5.30 1.13 -1.00 -1.34 117.35 122.42 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 -0.22 -0.01 0.00 -1.10 0.00 0.00 41.96 40.48 2ha1 s TYR 146 CO 0.03 -0.05 0.15 -1.83 -2.51 0.00 0.00 175.55 171.34 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 -0.26 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 -0.13 118.68 121.96 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 43.54 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 64.00 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 0.68 0.00 3.49 5.08 -1.92 -3.46 114.58 118.43 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 -0.14 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 -1.34 0.61 0.19 -3.84 0.00 -0.79 -5.00 105.19 95.01 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 -0.03 -0.14 -4.76 1.61 2.03 -1.26 -4.73 116.55 109.27 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 -0.03 -0.06 0.00 -0.72 0.00 0.00 41.12 40.32 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 4.68 0.44 -0.67 1.03 -1.26 -4.75 118.70 118.03 2ha1 s GLU 154 Ca 0.00 1.30 -0.24 0.00 0.03 0.00 0.00 54.97 56.06 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 0.50 1.14 -1.25 -1.33 0.00 0.00 175.26 174.32 2ha1 s PRO 155 N -0.98 3.89 0.05 -4.83 0.04 -1.26 -4.86 135.00 127.06 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 -2.48 -0.03 0.00 0.04 0.00 0.00 34.50 31.78 2ha1 s PRO 155 CO 0.28 -0.43 -0.17 -0.65 0.04 0.00 0.00 177.00 176.07 2ha1 s GLN 156 N -2.58 2.07 0.00 4.56 -0.21 -1.07 -4.83 119.66 117.60 2ha1 s GLN 156 Ca 0.61 -0.99 0.07 0.00 0.02 0.00 0.00 55.36 55.07 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 1.52 -2.12 0.00 0.00 175.29 175.35 2ha1 s TYR 157 N -0.96 1.95 -0.08 0.91 1.13 -1.26 -2.38 117.35 116.67 2ha1 s TYR 157 Ca 0.15 -0.37 0.02 0.00 -1.41 0.00 0.00 57.07 55.46 2ha1 s TYR 157 Cb -0.11 -1.23 0.01 0.00 -1.10 0.00 0.00 41.96 39.54 2ha1 s TYR 157 CO 0.06 0.00 -0.12 -0.51 -2.51 0.00 0.00 175.55 172.47 2ha1 s LEU 158 N -0.70 1.60 -0.18 -3.49 1.43 0.52 -4.93 118.68 112.92 2ha1 s LEU 158 Ca 0.08 -0.33 -0.09 0.00 -1.03 0.00 0.00 54.13 52.77 2ha1 s LEU 158 Cb -0.09 -0.89 -0.05 0.00 0.03 0.00 0.00 46.19 45.20 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 0.87 6.00 0.16 2.29 2.15 -1.26 -0.06 116.67 126.82 2ha1 s ASP 159 Ca -0.10 0.20 0.07 0.00 0.43 0.00 0.00 52.55 53.14 2ha1 s ASP 159 Cb -0.15 -2.03 -0.04 0.00 -0.30 0.00 0.00 42.92 40.40 2ha1 s ASP 159 CO 0.01 0.20 -0.14 -0.76 -0.17 0.00 0.00 175.17 174.31 2ha1 s LEU 160 N 0.21 2.49 0.73 -1.34 1.43 0.17 -4.95 118.68 117.41 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 -0.16 1.10 -2.16 0.23 0.00 0.00 176.35 175.35 2ha1 s PRO 161 N -3.22 2.48 0.14 1.29 0.04 -1.26 0.19 135.00 134.66 2ha1 s PRO 161 Ca 0.16 1.26 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 -3.07 0.24 -0.08 6.66 3.41 -1.21 0.28 113.62 119.85 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 68.72 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 -2.87 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 0.69 0.07 0.93 0.25 0.00 0.00 0.00 175.76 177.70 2ha1 n THR 165 N 2.62 0.55 -3.59 0.00 -2.24 -1.26 -4.88 114.28 105.47 2ha1 n THR 165 Ca -0.01 -0.63 -0.11 0.00 -2.27 0.00 0.00 64.05 61.02 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 -1.21 -0.43 -0.01 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 56.89 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 -0.73 0.05 -0.21 5.02 0.11 -0.33 -4.99 120.40 119.31 2ha1 s VAL 167 Ca -0.01 -0.38 -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 34.06 2ha1 s VAL 167 CO 0.00 -0.21 0.04 0.21 -3.33 0.00 0.00 175.10 171.82 2ha1 s ASN 168 N -1.39 5.16 -0.48 3.54 3.04 -1.26 -1.92 114.94 121.63 2ha1 s ASN 168 Ca -0.12 -0.12 -0.16 0.00 0.04 0.00 0.00 52.86 52.50 2ha1 s ASN 168 Cb -0.04 -1.90 0.07 0.00 -1.54 0.00 0.00 41.25 37.85 2ha1 s ASN 168 CO 0.05 0.07 0.43 -0.63 -3.04 0.00 0.00 177.10 173.98 2ha1 s ILE 169 N 1.00 5.19 0.74 -5.21 1.01 0.15 -4.89 121.20 119.19 2ha1 s ILE 169 Ca 0.03 -1.02 -0.02 0.00 0.00 0.00 0.00 60.65 59.64 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 -0.63 1.02 -0.81 0.00 0.00 0.00 174.94 174.54 2ha1 n PRO 170 N 5.33 -0.23 -2.66 2.79 -0.04 -1.26 -1.12 135.00 137.81 2ha1 n PRO 170 Ca -0.12 -2.59 -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 -5.66 -4.84 3.54 8.00 -1.26 -4.94 116.55 108.37 2ha1 n ASP 171 Ca 0.16 -0.14 -0.33 0.00 0.71 0.00 0.00 54.79 55.19 2ha1 n ASP 171 Cb 0.58 -4.60 -0.06 0.00 -0.02 0.00 0.00 41.12 37.02 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 -5.86 4.15 -0.35 0.64 1.43 -1.16 -5.03 118.68 112.50 2ha1 s LEU 172 Ca 0.14 1.28 -0.22 0.00 -1.03 0.00 0.00 54.13 54.29 2ha1 s LEU 172 Cb -0.06 -3.90 0.01 0.00 0.03 0.00 0.00 46.19 42.26 2ha1 s LEU 172 CO 0.17 -0.13 0.74 -0.76 0.23 0.00 0.00 176.35 176.61 2ha1 s LEU 173 N -2.69 4.16 0.39 1.79 1.43 -1.26 -4.40 118.68 118.09 2ha1 s LEU 173 Ca 0.50 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 43.03 2ha1 s LEU 173 CO 0.19 -0.68 1.44 -2.65 0.23 0.00 0.00 176.35 174.88 2ha1 n PRO 174 N 6.28 2.49 -1.20 1.29 -0.02 -1.26 -2.49 135.00 140.09 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 0.54 0.57 3.25 -1.23 0.00 -1.19 -5.02 105.19 102.11 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 -2.48 1.03 -0.19 1.61 1.81 -1.04 -4.95 118.95 114.75 2ha1 s ARG 176 Ca 0.00 -1.11 -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 -1.90 4.05 0.10 3.54 2.20 -1.26 -1.77 119.74 124.71 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 0.00 175.35 175.86 2ha1 s TYR 178 N 0.12 2.25 -0.21 4.03 1.51 0.04 0.28 117.35 125.36 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 40.45 2ha1 s TYR 178 CO -0.01 0.26 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 0.82 -1.21 121.20 127.92 2ha1 s ILE 179 Ca 0.12 -0.13 0.01 0.00 0.00 0.00 0.00 60.65 60.66 2ha1 s ILE 179 Cb -0.10 -3.05 -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 0.95 2.99 -0.06 2.92 1.01 0.85 -2.34 120.40 126.72 2ha1 s VAL 180 Ca 0.03 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.30 2ha1 s VAL 180 Cb -0.14 -2.22 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 0.07 1.25 -0.23 3.32 -0.87 -0.45 -0.34 114.94 117.69 2ha1 s ASN 181 Ca -0.06 -0.05 -0.10 0.00 -1.57 0.00 0.00 52.86 51.09 2ha1 s ASN 181 Cb -0.15 -0.35 -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 5.20 -0.05 1.60 1.01 0.15 -1.81 120.40 128.23 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 -3.41 -0.02 0.00 0.00 0.00 0.00 36.38 32.82 2ha1 s VAL 182 CO -0.04 0.36 -0.20 -0.31 0.00 0.00 0.00 175.10 174.91 2ha1 s TYR 183 N 1.00 2.55 -0.16 5.22 2.02 0.10 -1.42 117.35 126.66 2ha1 s TYR 183 Ca 0.07 -0.43 -0.08 0.00 -0.37 0.00 0.00 57.07 56.26 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 -0.02 0.12 1.14 -1.57 0.00 0.00 175.55 175.26 2ha1 s GLN 184 N -0.44 3.78 -0.25 -0.62 -2.07 -0.80 -0.06 119.66 119.19 2ha1 s GLN 184 Ca 0.05 -0.20 -0.12 0.00 -1.82 0.00 0.00 55.36 53.27 2ha1 s GLN 184 Cb -0.12 -3.27 -0.05 0.00 -1.09 0.00 0.00 33.01 28.49 2ha1 s GLN 184 CO 0.01 0.53 0.21 0.42 -1.32 0.00 0.00 175.29 175.15 2ha1 s ILE 185 N -0.32 5.31 0.73 3.63 -1.09 0.12 -2.24 121.20 127.34 2ha1 s ILE 185 Ca 0.11 0.26 -0.08 0.00 -2.23 0.00 0.00 60.65 58.71 2ha1 s ILE 185 Cb -0.12 -3.55 0.06 0.00 -1.58 0.00 0.00 42.46 37.28 2ha1 s ILE 185 CO 0.01 0.29 1.06 -0.94 -1.23 0.00 0.00 174.94 174.13 2ha1 s SER 186 N 1.34 4.76 0.31 3.58 1.04 -0.15 0.39 113.70 124.97 2ha1 s SER 186 Ca 0.09 0.57 0.20 0.00 0.48 0.00 0.00 55.95 57.29 2ha1 s SER 186 Cb -0.15 -1.19 1.11 0.00 0.10 0.00 0.00 66.02 65.90 2ha1 s SER 186 CO 0.07 -1.67 1.62 -0.62 0.98 0.00 0.00 173.24 173.63 2ha1 n GLU 187 N -3.03 0.13 0.00 4.02 1.02 -1.14 -0.02 120.64 121.62 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 30.24 2ha1 n GLU 187 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2ha1 n ASP 188 N -2.22 1.74 0.00 1.62 8.00 -1.26 -4.51 116.55 119.92 2ha1 n ASP 188 Ca -0.01 -1.34 0.00 0.00 0.71 0.00 0.00 54.79 54.14 2ha1 n ASP 188 Cb 0.04 0.30 0.00 0.00 -0.02 0.00 0.00 41.12 41.44 2ha1 n ASP 188 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ha1 n GLY 189 N 1.37 0.67 3.77 0.44 0.00 0.97 -4.50 105.19 107.92 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 -0.43 -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 -0.00 -1.12 -2.12 0.00 0.00 175.29 172.99 2ha1 s SER 192 N -1.05 0.84 -0.14 5.90 0.01 -0.95 -4.91 113.70 113.40 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 65.76 2ha1 s SER 192 CO 0.04 -0.12 1.65 -0.22 0.41 0.00 0.00 173.24 175.00 2ha1 s LEU 193 N 1.29 4.09 -0.03 2.44 2.96 -1.26 -1.90 118.68 126.26 2ha1 s LEU 193 Ca -0.06 1.93 0.12 0.00 -0.22 0.00 0.00 54.13 55.90 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 0.00 176.35 176.42 2ha1 n ILE 194 N 5.99 0.13 -3.66 6.68 -5.35 -0.51 -4.99 119.36 117.65 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 0.07 -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 -4.91 118.68 117.95 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 0.30 113.70 120.48 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 0.04 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 0.54 -5.01 115.64 118.40 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 -1.51 4.88 0.07 8.08 1.04 -1.26 -0.11 113.70 124.89 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 0.02 0.16 -1.10 0.98 0.00 0.00 173.24 173.34 2ha1 s GLN 199 N -3.52 0.75 -0.30 4.02 -0.21 -0.35 -4.96 119.66 115.10 2ha1 s GLN 199 Ca 0.31 -0.86 0.03 0.00 0.02 0.00 0.00 55.36 54.85 2ha1 s GLN 199 Cb -0.08 0.30 0.08 0.00 1.00 0.00 0.00 33.01 34.32 2ha1 s GLN 199 CO 0.21 -0.22 -0.01 0.99 -2.12 0.00 0.00 175.29 174.14 2ha1 s THR 200 N -3.35 1.96 -0.79 -0.19 2.01 -1.26 -0.78 115.64 113.23 2ha1 s THR 200 Ca 0.01 -1.85 0.00 0.00 0.31 0.00 0.00 61.69 60.16 2ha1 s THR 200 Cb 0.03 -2.30 0.00 0.00 0.01 0.00 0.00 72.50 70.23 2ha1 s THR 200 CO -0.08 -0.36 0.20 0.35 -0.69 0.00 0.00 174.62 174.03