#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a3x s THR 2 N 0.00 -0.14 -0.64 3.57 2.01 -1.12 -4.87 115.64 114.44 2a3x s THR 2 Ca 0.00 0.23 -0.25 0.00 0.31 0.00 0.00 61.69 61.98 2a3x s THR 2 Cb 0.00 -0.31 0.04 0.00 0.01 0.00 0.00 72.50 72.25 2a3x s THR 2 CO 0.00 0.09 1.09 -0.62 -0.69 0.00 0.00 174.62 174.49 2a3x s ASP 3 N 1.61 6.26 -0.33 3.53 2.15 -1.25 -1.94 116.67 126.69 2a3x s ASP 3 Ca -0.05 -0.49 0.09 0.00 0.43 0.00 0.00 52.55 52.54 2a3x s ASP 3 Cb -0.11 -2.49 0.71 0.00 -0.30 0.00 0.00 42.92 40.72 2a3x s ASP 3 CO -0.07 -1.51 1.78 0.18 -0.17 0.00 0.00 175.17 175.38 2a3x n LEU 4 N 8.26 5.90 -4.72 -1.34 4.32 -1.07 -4.99 117.00 123.37 2a3x n LEU 4 Ca 0.02 -3.31 -0.42 0.00 -0.02 0.00 0.00 56.01 52.27 2a3x n LEU 4 Cb 0.48 -0.74 -0.03 0.00 -1.62 0.00 0.00 43.42 41.51 2a3x n LEU 4 CO 0.67 0.87 1.16 -0.44 -1.22 0.00 0.00 177.39 178.43 2a3x s SER 5 N -1.26 6.68 -0.18 -1.43 0.01 -1.26 -1.96 113.70 114.30 2a3x s SER 5 Ca 0.54 2.52 0.00 0.00 1.31 0.00 0.00 55.95 60.32 2a3x s SER 5 Cb 0.44 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 64.07 2a3x s SER 5 CO 0.12 -0.75 0.00 0.61 0.41 0.00 0.00 173.24 173.63 2a3x n GLY 6 N 3.49 0.52 3.21 3.44 0.00 -1.26 -5.01 105.19 109.58 2a3x n GLY 6 Ca 0.12 -0.37 -0.18 0.00 0.00 0.00 0.00 46.02 45.60 2a3x n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a3x s LYS 7 N -1.19 0.93 0.14 1.61 3.01 -0.83 -0.20 119.74 123.21 2a3x s LYS 7 Ca 0.00 -1.14 0.05 0.00 -1.01 0.00 0.00 55.97 53.87 2a3x s LYS 7 Cb 0.00 -0.82 -0.04 0.00 -1.01 0.00 0.00 37.83 35.96 2a3x s LYS 7 CO 0.00 0.16 -0.11 0.14 0.51 0.00 0.00 175.35 176.05 2a3x s VAL 8 N -1.92 1.18 -0.41 3.17 -7.23 0.54 -4.58 120.40 111.15 2a3x s VAL 8 Ca 0.05 -1.92 -0.23 0.00 -1.81 0.00 0.00 61.98 58.07 2a3x s VAL 8 Cb -0.06 -1.70 0.02 0.00 0.56 0.00 0.00 36.38 35.19 2a3x s VAL 8 CO 0.02 -0.64 0.76 -0.36 -0.31 0.00 0.00 175.10 174.57 2a3x s PHE 9 N -2.91 3.06 -0.39 2.82 0.08 0.57 -2.35 117.98 118.86 2a3x s PHE 9 Ca 0.13 0.30 -0.15 0.00 0.12 0.00 0.00 56.93 57.33 2a3x s PHE 9 Cb -0.00 -3.49 0.01 0.00 -0.57 0.00 0.00 43.02 38.97 2a3x s PHE 9 CO 0.01 -0.85 0.34 0.54 -0.10 0.00 0.00 175.22 175.16 2a3x s VAL 10 N 3.13 5.20 -0.60 -0.44 0.11 0.57 -1.45 120.40 126.92 2a3x s VAL 10 Ca 0.29 -0.40 -0.20 0.00 -2.93 0.00 0.00 61.98 58.74 2a3x s VAL 10 Cb -0.13 -3.91 0.09 0.00 -1.53 0.00 0.00 36.38 30.90 2a3x s VAL 10 CO 0.20 -0.27 0.76 -0.36 -3.33 0.00 0.00 175.10 172.09 2a3x s PHE 11 N 1.87 2.93 -1.09 1.54 0.40 0.55 -1.60 117.98 122.58 2a3x s PHE 11 Ca 0.08 -0.83 0.25 0.00 -0.60 0.00 0.00 56.93 55.83 2a3x s PHE 11 Cb -0.18 -4.04 0.59 0.00 0.51 0.00 0.00 43.02 39.90 2a3x s PHE 11 CO 0.11 -1.35 1.47 -0.35 0.70 0.00 0.00 175.22 175.80 2a3x n PRO 12 N 6.62 0.10 -3.75 0.24 -0.05 -1.26 -0.18 135.00 136.71 2a3x n PRO 12 Ca -0.08 -0.05 -0.10 0.00 -0.05 0.00 0.00 63.50 63.22 2a3x n PRO 12 Cb 0.43 -1.50 -0.06 0.00 -0.05 0.00 0.00 33.50 32.32 2a3x n PRO 12 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 175.50 174.47 2a3x s ARG 13 N -2.94 0.95 0.11 0.54 1.04 -1.26 -4.93 118.95 112.46 2a3x s ARG 13 Ca 0.13 -0.85 -0.30 0.00 -1.04 0.00 0.00 55.73 53.67 2a3x s ARG 13 Cb 0.18 0.40 -0.06 0.00 -2.04 0.00 0.00 34.95 33.43 2a3x s ARG 13 CO 0.67 -0.34 1.14 -2.00 -0.04 0.00 0.00 175.30 174.73 2a3x s GLU 14 N -3.84 4.51 0.34 3.89 2.12 -1.26 -4.75 118.70 119.71 2a3x s GLU 14 Ca 0.04 1.72 -0.15 0.00 0.36 0.00 0.00 54.97 56.94 2a3x s GLU 14 Cb 0.03 -3.32 0.03 0.00 0.26 0.00 0.00 34.13 31.14 2a3x s GLU 14 CO -0.11 -0.10 0.71 -1.54 -0.54 0.00 0.00 175.26 173.68 2a3x s SER 15 N 0.54 0.04 0.00 -1.70 1.04 -1.26 -5.02 113.70 107.33 2a3x s SER 15 Ca 0.54 -1.03 0.03 0.00 0.48 0.00 0.00 55.95 55.97 2a3x s SER 15 Cb -0.29 0.78 0.09 0.00 0.10 0.00 0.00 66.02 66.70 2a3x s SER 15 CO 0.32 -1.51 1.07 0.55 0.98 0.00 0.00 173.24 174.64 2a3x n VAL 16 N -0.50 0.98 0.00 5.02 3.14 -1.26 -4.29 118.33 121.41 2a3x n VAL 16 Ca -0.06 -0.99 0.00 0.00 -2.96 0.00 0.00 64.34 60.33 2a3x n VAL 16 Cb 0.60 0.51 0.00 0.00 -1.06 0.00 0.00 33.84 33.89 2a3x n VAL 16 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 2a3x n THR 17 N -0.19 0.00 -2.45 1.55 -1.04 -1.26 -4.84 114.28 106.06 2a3x n THR 17 Ca 0.03 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.62 2a3x n THR 17 Cb 0.30 -0.42 -0.02 0.00 -1.82 0.00 0.00 70.33 68.37 2a3x n THR 17 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2a3x s ASP 18 N -3.16 6.97 0.20 8.00 1.01 -1.26 -4.45 116.67 123.97 2a3x s ASP 18 Ca 0.00 1.68 -0.23 0.00 0.71 0.00 0.00 52.55 54.72 2a3x s ASP 18 Cb 0.00 -2.54 0.05 0.00 1.01 0.00 0.00 42.92 41.44 2a3x s ASP 18 CO 0.00 -0.73 0.65 -1.38 0.21 0.00 0.00 175.17 173.92 2a3x s HIS 19 N 3.30 -0.41 -0.14 4.23 -3.43 -0.05 -4.48 115.29 114.30 2a3x s HIS 19 Ca 0.54 0.12 0.01 0.00 -0.80 0.00 0.00 55.06 54.92 2a3x s HIS 19 Cb -0.22 0.61 -0.00 0.00 -1.43 0.00 0.00 32.58 31.54 2a3x s HIS 19 CO 0.15 -0.97 -0.17 0.08 -2.00 0.00 0.00 174.74 171.83 2a3x s VAL 20 N -3.78 2.57 -0.25 -5.38 1.01 -1.08 -1.03 120.40 112.45 2a3x s VAL 20 Ca 0.05 -0.81 -0.19 0.00 0.00 0.00 0.00 61.98 61.03 2a3x s VAL 20 Cb -0.03 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 2a3x s VAL 20 CO -0.06 0.52 0.55 0.20 0.00 0.00 0.00 175.10 176.31 2a3x s ASN 21 N 0.71 6.49 -0.26 3.32 -0.87 0.46 -0.53 114.94 124.26 2a3x s ASN 21 Ca -0.08 0.59 -0.12 0.00 -1.57 0.00 0.00 52.86 51.68 2a3x s ASN 21 Cb -0.16 -2.30 -0.05 0.00 -0.02 0.00 0.00 41.25 38.73 2a3x s ASN 21 CO 0.01 -0.30 0.26 -0.76 -2.57 0.00 0.00 177.10 173.74 2a3x s LEU 22 N 2.28 4.05 -0.18 0.60 1.02 0.10 -1.84 118.68 124.72 2a3x s LEU 22 Ca 0.23 0.14 -0.09 0.00 0.02 0.00 0.00 54.13 54.43 2a3x s LEU 22 Cb -0.16 -2.24 -0.05 0.00 0.02 0.00 0.00 46.19 43.77 2a3x s LEU 22 CO 0.09 -0.07 0.13 -0.63 0.02 0.00 0.00 176.35 175.88 2a3x s ILE 23 N 1.70 5.37 -0.04 -0.59 1.01 -0.91 -3.75 121.20 123.99 2a3x s ILE 23 Ca 0.10 0.17 0.03 0.00 0.00 0.00 0.00 60.65 60.96 2a3x s ILE 23 Cb -0.15 -3.42 0.00 0.00 0.01 0.00 0.00 42.46 38.90 2a3x s ILE 23 CO 0.09 0.48 -0.13 0.28 0.00 0.00 0.00 174.94 175.66 2a3x s THR 24 N 0.06 1.13 -1.52 2.92 -1.32 -1.26 -4.50 115.64 111.15 2a3x s THR 24 Ca 0.09 -0.54 0.00 0.00 -1.21 0.00 0.00 61.69 60.03 2a3x s THR 24 Cb -0.11 -0.99 0.00 0.00 -1.51 0.00 0.00 72.50 69.89 2a3x s THR 24 CO -0.01 0.34 0.61 -2.65 -2.21 0.00 0.00 174.62 170.70 2a3x n PRO 25 N 3.31 0.80 -2.39 7.08 -0.02 -1.26 -4.74 135.00 137.78 2a3x n PRO 25 Ca -0.19 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 60.86 2a3x n PRO 25 Cb 0.53 -1.19 -0.02 0.00 -0.02 0.00 0.00 33.50 32.80 2a3x n PRO 25 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2a3x s LEU 26 N -0.52 3.89 -0.14 2.45 0.20 -1.26 -4.85 118.68 118.46 2a3x s LEU 26 Ca 0.00 1.27 0.15 0.00 0.69 0.00 0.00 54.13 56.24 2a3x s LEU 26 Cb 0.00 -3.54 0.39 0.00 -0.43 0.00 0.00 46.19 42.61 2a3x s LEU 26 CO 0.00 -1.09 1.19 -0.62 -0.29 0.00 0.00 176.35 175.54 2a3x n GLU 27 N 7.33 1.05 -4.89 1.98 1.02 -1.26 -4.13 120.64 121.74 2a3x n GLU 27 Ca 0.15 -2.78 -0.28 0.00 -0.02 0.00 0.00 57.16 54.24 2a3x n GLU 27 Cb 0.46 -1.11 -0.15 0.00 -0.02 0.00 0.00 31.44 30.62 2a3x n GLU 27 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 2a3x s LYS 28 N -2.17 1.65 0.40 3.49 0.00 -1.26 -4.82 119.74 117.03 2a3x s LYS 28 Ca 0.35 -0.92 -0.26 0.00 0.00 0.00 0.00 55.97 55.13 2a3x s LYS 28 Cb 0.35 -1.71 -0.09 0.00 0.00 0.00 0.00 37.83 36.38 2a3x s LYS 28 CO -0.08 0.45 1.36 -2.14 0.00 0.00 0.00 175.35 174.93 2a3x s PRO 29 N -0.92 3.96 -0.32 1.78 0.02 -1.26 -4.60 135.00 133.66 2a3x s PRO 29 Ca 0.09 2.28 -0.20 0.00 0.02 0.00 0.00 61.00 63.20 2a3x s PRO 29 Cb -0.09 -2.79 -0.01 0.00 0.02 0.00 0.00 34.50 31.63 2a3x s PRO 29 CO 0.01 -0.55 0.60 -1.17 -0.33 0.00 0.00 177.00 175.56 2a3x s LEU 30 N -2.39 4.19 -0.13 -5.54 2.96 -0.76 -4.92 118.68 112.10 2a3x s LEU 30 Ca 0.56 0.29 -0.07 0.00 -0.22 0.00 0.00 54.13 54.70 2a3x s LEU 30 Cb -0.41 -2.75 -0.03 0.00 0.50 0.00 0.00 46.19 43.49 2a3x s LEU 30 CO 0.53 -0.49 -0.05 -0.61 -1.32 0.00 0.00 176.35 174.42 2a3x h GLN 31 N 8.29 0.00 -6.47 1.98 4.15 -1.89 -2.80 115.11 118.37 2a3x h GLN 31 Ca -0.27 0.00 -0.63 0.00 0.77 0.00 0.00 58.65 58.52 2a3x h GLN 31 Cb 1.12 0.00 -0.15 0.00 0.21 0.00 0.00 27.48 28.66 2a3x h GLN 31 CO 0.80 0.09 -0.76 -0.80 -1.93 0.00 0.00 178.83 176.23 2a3x s ASN 32 N -5.73 3.93 -0.14 -0.69 0.01 -1.26 -2.19 114.94 108.87 2a3x s ASN 32 Ca -0.09 -0.72 -0.29 0.00 -0.71 0.00 0.00 52.86 51.04 2a3x s ASN 32 Cb 0.01 -0.53 0.10 0.00 0.41 0.00 0.00 41.25 41.24 2a3x s ASN 32 CO 0.16 0.10 0.85 0.72 -1.51 0.00 0.00 177.10 177.42 2a3x s PHE 33 N -1.80 -0.54 -0.04 2.20 -0.12 -0.54 -4.17 117.98 112.96 2a3x s PHE 33 Ca 0.24 1.02 0.04 0.00 -0.05 0.00 0.00 56.93 58.18 2a3x s PHE 33 Cb -0.08 0.41 -0.00 0.00 -0.63 0.00 0.00 43.02 42.71 2a3x s PHE 33 CO 0.14 -0.44 -0.16 0.99 -0.05 0.00 0.00 175.22 175.70 2a3x s THR 34 N -0.83 1.36 -0.09 -4.49 2.01 -0.74 -0.64 115.64 112.22 2a3x s THR 34 Ca -0.05 -0.68 0.00 0.00 0.31 0.00 0.00 61.69 61.27 2a3x s THR 34 Cb -0.01 -1.17 0.02 0.00 0.01 0.00 0.00 72.50 71.35 2a3x s THR 34 CO 0.04 0.39 -0.07 -0.22 -0.69 0.00 0.00 174.62 174.08 2a3x s LEU 35 N 0.02 1.18 0.06 4.42 2.96 0.68 -0.82 118.68 127.18 2a3x s LEU 35 Ca -0.03 -0.24 0.07 0.00 -0.22 0.00 0.00 54.13 53.70 2a3x s LEU 35 Cb -0.11 -0.72 -0.03 0.00 0.50 0.00 0.00 46.19 45.83 2a3x s LEU 35 CO 0.02 -0.10 -0.18 0.00 -1.32 0.00 0.00 176.35 174.77 2a3x s PHE 37 N -0.99 -0.30 -0.09 0.00 -0.12 -0.70 -0.21 117.98 115.57 2a3x s PHE 37 Ca 0.04 0.19 -0.03 0.00 -0.05 0.00 0.00 56.93 57.08 2a3x s PHE 37 Cb -0.09 0.53 -0.04 0.00 -0.63 0.00 0.00 43.02 42.80 2a3x s PHE 37 CO 0.02 -0.47 0.05 1.03 -0.05 0.00 0.00 175.22 175.80 2a3x s ARG 38 N -2.97 3.11 -0.06 1.99 0.52 0.61 -1.11 118.95 121.03 2a3x s ARG 38 Ca 0.06 -0.34 -0.03 0.00 -0.52 0.00 0.00 55.73 54.90 2a3x s ARG 38 Cb -0.01 -2.91 0.04 0.00 0.52 0.00 0.00 34.95 32.59 2a3x s ARG 38 CO -0.08 0.72 0.14 0.00 0.02 0.00 0.00 175.30 176.10 2a3x s ALA 39 N -0.96 -0.26 -0.14 2.13 0.00 -0.38 -1.04 121.76 121.11 2a3x s ALA 39 Ca 0.15 0.66 0.01 0.00 0.00 0.00 0.00 51.96 52.77 2a3x s ALA 39 Cb -0.12 -0.44 -0.00 0.00 0.00 0.00 0.00 23.12 22.56 2a3x s ALA 39 CO 0.04 -0.15 -0.16 -0.47 0.00 0.00 0.00 175.76 175.02 2a3x s TYR 40 N 1.12 2.76 -0.28 0.00 5.04 0.12 -1.75 117.35 124.37 2a3x s TYR 40 Ca -0.09 -0.98 -0.19 0.00 -2.44 0.00 0.00 57.07 53.38 2a3x s TYR 40 Cb -0.11 -1.86 0.11 0.00 0.35 0.00 0.00 41.96 40.45 2a3x s TYR 40 CO -0.06 -0.43 0.84 0.45 -1.34 0.00 0.00 175.55 175.02 2a3x s SER 41 N 0.69 -0.70 -0.17 4.32 0.15 -1.26 0.33 113.70 117.06 2a3x s SER 41 Ca -0.08 1.17 0.16 0.00 0.70 0.00 0.00 55.95 57.91 2a3x s SER 41 Cb -0.16 1.26 0.78 0.00 -1.71 0.00 0.00 66.02 66.19 2a3x s SER 41 CO 0.02 -0.19 1.69 -0.90 1.20 0.00 0.00 173.24 175.06 2a3x n ASP 42 N 3.57 5.26 -4.75 5.45 5.68 -1.26 -4.61 116.55 125.89 2a3x n ASP 42 Ca -0.18 -2.69 -0.41 0.00 -0.50 0.00 0.00 54.79 51.01 2a3x n ASP 42 Cb 0.58 -0.63 -0.02 0.00 -1.14 0.00 0.00 41.12 39.90 2a3x n ASP 42 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 2a3x s LEU 43 N -2.30 4.39 -0.14 -2.12 2.96 -1.26 -4.94 118.68 115.27 2a3x s LEU 43 Ca 0.53 2.65 0.00 0.00 -0.22 0.00 0.00 54.13 57.10 2a3x s LEU 43 Cb 0.37 -3.62 -0.24 0.00 0.50 0.00 0.00 46.19 43.20 2a3x s LEU 43 CO 0.21 -0.68 0.28 -0.24 -1.32 0.00 0.00 176.35 174.60 2a3x n SER 44 N 2.22 1.71 -4.85 3.68 2.88 -1.26 -4.94 113.62 113.06 2a3x n SER 44 Ca 0.06 0.16 -0.29 0.00 -1.33 0.00 0.00 58.87 57.47 2a3x n SER 44 Cb 0.40 -0.49 0.10 0.00 -0.75 0.00 0.00 64.21 63.47 2a3x n SER 44 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2a3x s ARG 45 N -2.55 1.81 0.26 -1.46 1.70 -1.26 -4.47 118.95 112.98 2a3x s ARG 45 Ca -0.21 0.27 -0.30 0.00 -0.47 0.00 0.00 55.73 55.02 2a3x s ARG 45 Cb 0.07 -1.92 -0.10 0.00 -0.57 0.00 0.00 34.95 32.43 2a3x s ARG 45 CO 0.75 -1.73 1.44 0.00 -1.08 0.00 0.00 175.30 174.68 2a3x s ALA 46 N -3.41 3.62 0.26 7.88 0.00 -1.24 -4.81 121.76 124.06 2a3x s ALA 46 Ca 0.62 1.34 -0.00 0.00 0.00 0.00 0.00 51.96 53.92 2a3x s ALA 46 Cb -0.13 -3.56 -0.03 0.00 0.00 0.00 0.00 23.12 19.41 2a3x s ALA 46 CO 0.51 -0.76 0.26 1.52 0.00 0.00 0.00 175.76 177.29 2a3x s TYR 47 N -0.11 1.21 -0.18 0.00 -0.85 -0.29 -4.35 117.35 112.78 2a3x s TYR 47 Ca 0.59 -1.36 -0.02 0.00 -0.52 0.00 0.00 57.07 55.75 2a3x s TYR 47 Cb -0.42 -0.45 -0.01 0.00 0.38 0.00 0.00 41.96 41.46 2a3x s TYR 47 CO 0.45 -0.81 -0.08 0.45 -1.52 0.00 0.00 175.55 174.03 2a3x s SER 48 N -3.21 4.13 -0.16 -0.18 0.15 -0.90 -0.62 113.70 112.91 2a3x s SER 48 Ca 0.36 -0.38 -0.27 0.00 0.70 0.00 0.00 55.95 56.37 2a3x s SER 48 Cb 0.04 -1.68 -0.24 0.00 -1.71 0.00 0.00 66.02 62.43 2a3x s SER 48 CO 0.17 0.05 0.62 -0.07 1.20 0.00 0.00 173.24 175.21 2a3x h LEU 49 N 7.57 0.02 -7.08 3.45 -0.00 -1.26 -3.41 115.31 114.60 2a3x h LEU 49 Ca -0.36 -0.86 -0.42 0.00 -0.00 0.00 0.00 57.88 56.23 2a3x h LEU 49 Cb 1.18 -0.01 -0.40 0.00 -0.00 0.00 0.00 40.66 41.43 2a3x h LEU 49 CO 0.59 1.15 -0.73 0.12 -0.00 0.00 0.00 178.44 179.58 2a3x s PHE 50 N -2.27 0.10 -0.18 1.13 2.19 -1.00 -4.45 117.98 113.49 2a3x s PHE 50 Ca -0.22 -0.10 -0.03 0.00 0.33 0.00 0.00 56.93 56.91 2a3x s PHE 50 Cb -0.00 -0.59 -0.02 0.00 -1.31 0.00 0.00 43.02 41.10 2a3x s PHE 50 CO 0.67 -0.45 -0.05 0.45 1.83 0.00 0.00 175.22 177.67 2a3x s SER 51 N 2.17 4.46 -0.29 6.13 0.15 -0.98 -1.39 113.70 123.96 2a3x s SER 51 Ca 0.03 -0.28 -0.02 0.00 0.70 0.00 0.00 55.95 56.38 2a3x s SER 51 Cb -0.15 -1.74 0.10 0.00 -1.71 0.00 0.00 66.02 62.52 2a3x s SER 51 CO -0.08 0.08 0.11 -0.47 1.20 0.00 0.00 173.24 174.07 2a3x s TYR 52 N 0.89 1.00 0.19 3.44 6.14 0.35 -1.10 117.35 128.26 2a3x s TYR 52 Ca -0.01 -1.24 0.10 0.00 0.64 0.00 0.00 57.07 56.56 2a3x s TYR 52 Cb -0.15 -1.27 -0.04 0.00 0.42 0.00 0.00 41.96 40.92 2a3x s TYR 52 CO 0.01 -0.82 -0.18 -0.80 0.64 0.00 0.00 175.55 174.40 2a3x s ASN 53 N 1.86 3.76 0.30 4.32 -0.87 -1.10 -0.77 114.94 122.44 2a3x s ASN 53 Ca 0.08 -0.75 0.00 0.00 -1.57 0.00 0.00 52.86 50.62 2a3x s ASN 53 Cb -0.17 -0.44 -0.00 0.00 -0.02 0.00 0.00 41.25 40.62 2a3x s ASN 53 CO -0.28 0.11 0.02 0.35 -2.57 0.00 0.00 177.10 174.73 2a3x n THR 54 N 0.17 0.00 -1.84 1.60 -2.24 -1.08 -1.73 114.28 109.17 2a3x n THR 54 Ca -0.12 -1.46 -0.43 0.00 -2.27 0.00 0.00 64.05 59.78 2a3x n THR 54 Cb 0.56 0.33 -0.03 0.00 -2.10 0.00 0.00 70.33 69.09 2a3x n THR 54 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2a3x s GLN 55 N -3.08 3.55 -1.02 -0.78 -0.21 -1.26 -2.56 119.66 114.29 2a3x s GLN 55 Ca 0.02 1.92 0.00 0.00 0.02 0.00 0.00 55.36 57.32 2a3x s GLN 55 Cb 0.00 -4.20 0.00 0.00 1.00 0.00 0.00 33.01 29.81 2a3x s GLN 55 CO 0.02 -1.61 0.00 0.41 -2.12 0.00 0.00 175.29 171.98 2a3x n GLY 56 N 5.16 1.02 2.76 3.09 0.00 -1.26 -4.97 105.19 110.98 2a3x n GLY 56 Ca 0.23 -0.16 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 2a3x n GLY 56 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2a3x s ARG 57 N -2.62 0.74 0.32 1.61 0.52 -1.06 -5.13 118.95 113.32 2a3x s ARG 57 Ca 0.00 -0.40 -0.23 0.00 -0.52 0.00 0.00 55.73 54.58 2a3x s ARG 57 Cb 0.00 -2.01 -0.10 0.00 0.52 0.00 0.00 34.95 33.37 2a3x s ARG 57 CO 0.00 -0.59 0.89 0.34 0.02 0.00 0.00 175.30 175.96 2a3x s ASP 58 N 1.84 7.17 -1.38 0.23 2.15 -1.26 -2.63 116.67 122.79 2a3x s ASP 58 Ca -0.00 1.69 -0.04 0.00 0.43 0.00 0.00 52.55 54.63 2a3x s ASP 58 Cb -0.17 -2.53 0.03 0.00 -0.30 0.00 0.00 42.92 39.95 2a3x s ASP 58 CO -0.08 -0.11 0.74 0.59 -0.17 0.00 0.00 175.17 176.14 2a3x n ASN 59 N 0.30 -2.05 -0.14 -0.34 4.13 -1.26 -3.99 115.26 111.91 2a3x n ASN 59 Ca 0.02 -0.83 -0.10 0.00 1.68 0.00 0.00 54.58 55.35 2a3x n ASN 59 Cb 0.51 -3.88 -0.01 0.00 -1.54 0.00 0.00 39.78 34.86 2a3x n ASN 59 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 2a3x h GLU 60 N -1.92 0.66 -2.99 3.52 4.57 -1.70 -1.59 114.58 115.14 2a3x h GLU 60 Ca -0.61 -0.18 -0.22 0.00 -1.18 0.00 0.00 59.36 57.17 2a3x h GLU 60 Cb 1.37 -0.08 -0.32 0.00 -0.16 0.00 0.00 28.75 29.56 2a3x h GLU 60 CO 0.60 0.72 -0.54 -1.17 -1.18 0.00 0.00 179.01 177.44 2a3x s LEU 61 N -9.54 0.08 -0.19 1.64 2.96 0.05 0.23 118.68 113.91 2a3x s LEU 61 Ca -0.13 0.50 -0.07 0.00 -0.22 0.00 0.00 54.13 54.21 2a3x s LEU 61 Cb 0.10 0.62 0.08 0.00 0.50 0.00 0.00 46.19 47.49 2a3x s LEU 61 CO 0.78 -0.21 0.40 -0.22 -1.32 0.00 0.00 176.35 175.79 2a3x s LEU 62 N 1.87 -0.54 -0.31 -0.68 2.96 -0.61 -0.50 118.68 120.87 2a3x s LEU 62 Ca -0.03 0.94 -0.17 0.00 -0.22 0.00 0.00 54.13 54.65 2a3x s LEU 62 Cb -0.11 1.29 -0.02 0.00 0.50 0.00 0.00 46.19 47.85 2a3x s LEU 62 CO -0.08 -0.23 0.45 -0.69 -1.32 0.00 0.00 176.35 174.49 2a3x s VAL 63 N 2.43 5.09 -0.02 1.68 1.01 -0.48 -0.01 120.40 130.10 2a3x s VAL 63 Ca -0.03 0.46 0.03 0.00 0.00 0.00 0.00 61.98 62.45 2a3x s VAL 63 Cb -0.11 -3.84 -0.00 0.00 0.00 0.00 0.00 36.38 32.42 2a3x s VAL 63 CO -0.12 -0.04 -0.12 -0.47 0.00 0.00 0.00 175.10 174.35 2a3x s TYR 64 N 2.24 1.12 -0.34 5.22 5.04 -0.70 -0.68 117.35 129.25 2a3x s TYR 64 Ca 0.17 -0.26 -0.07 0.00 -2.44 0.00 0.00 57.07 54.47 2a3x s TYR 64 Cb -0.16 -0.76 0.03 0.00 0.35 0.00 0.00 41.96 41.43 2a3x s TYR 64 CO 0.11 -0.07 0.11 0.21 -1.34 0.00 0.00 175.55 174.57 2a3x s LYS 65 N -0.04 2.69 0.15 4.97 2.20 0.21 -0.34 119.74 129.58 2a3x s LYS 65 Ca 0.00 -1.13 -0.05 0.00 -0.36 0.00 0.00 55.97 54.43 2a3x s LYS 65 Cb -0.07 -3.47 -0.02 0.00 -1.51 0.00 0.00 37.83 32.76 2a3x s LYS 65 CO 0.00 -0.64 1.38 0.93 -0.36 0.00 0.00 175.35 176.67 2a3x h GLU 66 N 8.24 0.52 0.00 4.03 4.39 -1.81 -0.76 114.58 129.19 2a3x h GLU 66 Ca -0.24 -0.44 0.17 0.00 0.34 0.00 0.00 59.36 59.18 2a3x h GLU 66 Cb 1.09 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.80 2a3x h GLU 66 CO 0.61 1.07 0.55 2.89 -1.16 0.00 0.00 179.01 182.97 2a3x n ARG 67 N -3.86 0.45 -1.67 2.33 1.85 -1.25 -3.70 116.66 110.81 2a3x n ARG 67 Ca -0.05 -1.10 -0.46 0.00 -1.00 0.00 0.00 57.85 55.23 2a3x n ARG 67 Cb 0.73 1.53 -0.04 0.00 -1.05 0.00 0.00 32.46 33.63 2a3x n ARG 67 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2a3x n VAL 68 N -0.64 0.62 -0.90 8.89 0.31 -1.26 -1.72 118.33 123.62 2a3x n VAL 68 Ca -0.01 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 2a3x n VAL 68 Cb 0.48 -2.03 0.00 0.00 -0.91 0.00 0.00 33.84 31.39 2a3x n VAL 68 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2a3x n GLY 69 N 4.58 0.86 3.20 2.92 0.00 -1.26 -4.98 105.19 110.51 2a3x n GLY 69 Ca 0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.91 2a3x n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2a3x s GLU 70 N -0.10 3.05 -0.09 1.61 2.12 -0.70 -0.70 118.70 123.88 2a3x s GLU 70 Ca 0.00 -0.82 0.03 0.00 0.36 0.00 0.00 54.97 54.54 2a3x s GLU 70 Cb 0.00 -2.82 -0.01 0.00 0.26 0.00 0.00 34.13 31.55 2a3x s GLU 70 CO 0.00 -0.27 -0.19 0.71 -0.54 0.00 0.00 175.26 174.97 2a3x s TYR 71 N 1.35 2.63 0.20 5.30 1.51 -0.54 -3.38 117.35 124.42 2a3x s TYR 71 Ca 0.04 -0.67 0.11 0.00 -1.01 0.00 0.00 57.07 55.54 2a3x s TYR 71 Cb -0.15 -1.71 -0.04 0.00 -0.11 0.00 0.00 41.96 39.95 2a3x s TYR 71 CO -0.08 -0.19 -0.19 -1.12 -1.11 0.00 0.00 175.55 172.86 2a3x s SER 72 N 0.01 3.69 -0.03 2.29 0.01 0.53 -0.75 113.70 119.45 2a3x s SER 72 Ca -0.07 -0.80 0.01 0.00 1.31 0.00 0.00 55.95 56.41 2a3x s SER 72 Cb -0.15 -0.40 0.02 0.00 0.21 0.00 0.00 66.02 65.71 2a3x s SER 72 CO 0.05 0.11 -0.02 -0.22 0.41 0.00 0.00 173.24 173.57 2a3x s LEU 73 N -2.79 1.32 -0.16 2.44 2.96 -0.40 -1.72 118.68 120.33 2a3x s LEU 73 Ca 0.23 -0.06 -0.04 0.00 -0.22 0.00 0.00 54.13 54.05 2a3x s LEU 73 Cb -0.08 -0.27 -0.02 0.00 0.50 0.00 0.00 46.19 46.32 2a3x s LEU 73 CO 0.12 -0.07 -0.04 -0.31 -1.32 0.00 0.00 176.35 174.73 2a3x s TYR 74 N 0.84 3.00 -0.36 5.38 1.51 0.99 -2.23 117.35 126.49 2a3x s TYR 74 Ca -0.09 -0.38 0.02 0.00 -1.01 0.00 0.00 57.07 55.60 2a3x s TYR 74 Cb -0.12 -1.97 0.11 0.00 -0.11 0.00 0.00 41.96 39.86 2a3x s TYR 74 CO -0.01 -0.11 0.11 0.42 -1.11 0.00 0.00 175.55 174.85 2a3x s ILE 75 N 0.50 1.69 -0.79 2.71 -1.09 -0.78 -1.57 121.20 121.87 2a3x s ILE 75 Ca -0.04 -2.11 -0.01 0.00 -2.23 0.00 0.00 60.65 56.27 2a3x s ILE 75 Cb -0.14 -2.24 -0.01 0.00 -1.58 0.00 0.00 42.46 38.48 2a3x s ILE 75 CO 0.03 -0.68 0.74 0.61 -1.23 0.00 0.00 174.94 174.40 2a3x n GLY 76 N 4.29 -1.23 4.64 6.18 0.00 0.14 -3.26 105.19 115.94 2a3x n GLY 76 Ca 0.02 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.53 2a3x n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a3x n ARG 77 N -2.01 0.00 -2.85 1.61 1.74 -0.61 -4.94 116.66 109.60 2a3x n ARG 77 Ca -0.01 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.75 2a3x n ARG 77 Cb 0.52 -2.58 -0.05 0.00 -1.02 0.00 0.00 32.46 29.32 2a3x n ARG 77 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2a3x s HIS 78 N -0.36 3.39 0.03 -1.55 3.76 -1.20 -5.08 115.29 114.27 2a3x s HIS 78 Ca 0.00 1.35 0.04 0.00 -0.15 0.00 0.00 55.06 56.31 2a3x s HIS 78 Cb 0.00 -2.66 -0.02 0.00 1.11 0.00 0.00 32.58 31.01 2a3x s HIS 78 CO 0.00 -0.09 -0.13 0.21 -0.85 0.00 0.00 174.74 173.88 2a3x s LYS 79 N -3.41 0.87 0.01 1.40 2.20 -1.26 -1.87 119.74 117.69 2a3x s LYS 79 Ca 0.57 -0.71 0.00 0.00 -0.36 0.00 0.00 55.97 55.47 2a3x s LYS 79 Cb -0.10 -0.86 -0.01 0.00 -1.51 0.00 0.00 37.83 35.36 2a3x s LYS 79 CO 0.21 0.21 -0.02 0.14 -0.36 0.00 0.00 175.35 175.54 2a3x s VAL 80 N -0.83 0.10 0.05 4.02 -7.23 -0.95 -4.99 120.40 110.57 2a3x s VAL 80 Ca 0.01 -0.28 0.06 0.00 -1.81 0.00 0.00 61.98 59.96 2a3x s VAL 80 Cb -0.08 -0.13 -0.03 0.00 0.56 0.00 0.00 36.38 36.71 2a3x s VAL 80 CO 0.01 -0.12 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.63 2a3x s THR 81 N -0.41 1.33 -0.06 5.32 2.01 -1.26 -1.27 115.64 121.30 2a3x s THR 81 Ca -0.04 -1.16 -0.07 0.00 0.31 0.00 0.00 61.69 60.73 2a3x s THR 81 Cb -0.03 -1.20 0.02 0.00 0.01 0.00 0.00 72.50 71.30 2a3x s THR 81 CO -0.00 0.02 0.19 -0.44 -0.69 0.00 0.00 174.62 173.70 2a3x s SER 82 N -1.32 -0.17 0.25 3.53 0.01 0.07 -4.98 113.70 111.08 2a3x s SER 82 Ca 0.03 0.29 0.07 0.00 1.31 0.00 0.00 55.95 57.65 2a3x s SER 82 Cb -0.09 0.37 -0.03 0.00 0.21 0.00 0.00 66.02 66.48 2a3x s SER 82 CO 0.02 -0.13 0.23 -0.54 0.41 0.00 0.00 173.24 173.22 2a3x s LYS 83 N -0.19 3.03 -0.23 12.44 1.02 -1.26 -1.46 119.74 133.08 2a3x s LYS 83 Ca -0.03 -0.99 -0.24 0.00 0.02 0.00 0.00 55.97 54.73 2a3x s LYS 83 Cb -0.03 -2.63 0.07 0.00 -0.52 0.00 0.00 37.83 34.72 2a3x s LYS 83 CO 0.01 0.41 0.68 0.54 -0.92 0.00 0.00 175.35 176.06 2a3x s VAL 84 N -2.09 0.00 0.04 3.17 0.11 0.12 -4.75 120.40 117.01 2a3x s VAL 84 Ca 0.33 -0.01 -0.30 0.00 -2.93 0.00 0.00 61.98 59.07 2a3x s VAL 84 Cb -0.08 -0.95 -0.07 0.00 -1.53 0.00 0.00 36.38 33.75 2a3x s VAL 84 CO 0.26 -0.00 1.59 -0.63 -3.33 0.00 0.00 175.10 172.99 2a3x s ILE 85 N 0.19 3.25 -0.09 7.04 1.01 -1.26 -4.48 121.20 126.85 2a3x s ILE 85 Ca -0.01 0.65 -0.16 0.00 0.00 0.00 0.00 60.65 61.13 2a3x s ILE 85 Cb -0.04 -3.42 0.04 0.00 0.01 0.00 0.00 42.46 39.04 2a3x s ILE 85 CO 0.02 -0.01 0.41 -1.83 0.00 0.00 0.00 174.94 173.53 2a3x s GLU 86 N 2.70 0.62 0.24 2.79 -1.05 -1.26 -5.07 118.70 117.67 2a3x s GLU 86 Ca 0.71 0.26 -0.30 0.00 -0.15 0.00 0.00 54.97 55.50 2a3x s GLU 86 Cb -0.37 0.29 -0.09 0.00 -0.44 0.00 0.00 34.13 33.52 2a3x s GLU 86 CO 0.31 -0.13 1.14 0.15 0.95 0.00 0.00 175.26 177.67 2a3x s LYS 87 N -0.50 4.58 -0.08 -4.83 1.02 -1.26 -4.93 119.74 113.74 2a3x s LYS 87 Ca -0.06 1.84 0.00 0.00 0.02 0.00 0.00 55.97 57.77 2a3x s LYS 87 Cb -0.03 -3.21 0.02 0.00 -0.52 0.00 0.00 37.83 34.09 2a3x s LYS 87 CO 0.03 0.09 -0.07 0.12 -0.92 0.00 0.00 175.35 174.59 2a3x s PHE 88 N -0.74 1.23 0.48 3.18 5.36 -1.26 -3.29 117.98 122.95 2a3x s PHE 88 Ca 0.48 -0.51 -0.08 0.00 -0.96 0.00 0.00 56.93 55.85 2a3x s PHE 88 Cb -0.32 -1.02 -0.05 0.00 -0.34 0.00 0.00 43.02 41.28 2a3x s PHE 88 CO 0.40 -0.36 0.82 -1.25 -1.46 0.00 0.00 175.22 173.37 2a3x s PRO 89 N 1.30 3.64 -0.00 10.12 0.04 -1.26 -5.19 135.00 143.65 2a3x s PRO 89 Ca -0.03 0.40 -0.29 0.00 0.04 0.00 0.00 61.00 61.11 2a3x s PRO 89 Cb -0.14 -2.33 0.07 0.00 0.04 0.00 0.00 34.50 32.15 2a3x s PRO 89 CO -0.03 -0.21 0.68 0.00 0.04 0.00 0.00 177.00 177.48 2a3x s ALA 90 N -2.68 -1.74 0.52 8.56 0.00 -1.21 -5.10 121.76 120.12 2a3x s ALA 90 Ca 0.50 1.13 -0.21 0.00 0.00 0.00 0.00 51.96 53.38 2a3x s ALA 90 Cb -0.10 0.19 -0.06 0.00 0.00 0.00 0.00 23.12 23.14 2a3x s ALA 90 CO 0.41 -0.47 1.21 -2.14 0.00 0.00 0.00 175.76 174.77 2a3x s PRO 91 N -1.82 3.39 0.02 0.00 0.02 -1.26 -4.54 135.00 130.80 2a3x s PRO 91 Ca -0.07 1.85 0.01 0.00 0.02 0.00 0.00 61.00 62.80 2a3x s PRO 91 Cb -0.00 -2.20 -0.01 0.00 0.02 0.00 0.00 34.50 32.30 2a3x s PRO 91 CO 0.04 -0.88 -0.04 0.54 -0.33 0.00 0.00 177.00 176.33 2a3x s VAL 92 N -1.54 0.27 -0.19 3.83 0.11 -0.71 -5.02 120.40 117.14 2a3x s VAL 92 Ca 0.70 -0.63 -0.04 0.00 -2.93 0.00 0.00 61.98 59.08 2a3x s VAL 92 Cb -0.31 -0.32 -0.02 0.00 -1.53 0.00 0.00 36.38 34.21 2a3x s VAL 92 CO 0.36 -0.24 -0.04 -2.28 -3.33 0.00 0.00 175.10 169.57 2a3x s HIS 93 N -0.87 2.97 -0.07 1.54 2.46 -1.26 -1.25 115.29 118.81 2a3x s HIS 93 Ca -0.07 -0.63 0.02 0.00 0.47 0.00 0.00 55.06 54.84 2a3x s HIS 93 Cb -0.06 -2.04 -0.03 0.00 -0.13 0.00 0.00 32.58 30.32 2a3x s HIS 93 CO -0.00 -0.32 -0.11 0.42 -2.47 0.00 0.00 174.74 172.25 2a3x s ILE 94 N 1.00 3.29 -0.05 0.89 1.01 -0.26 -1.10 121.20 125.97 2a3x s ILE 94 Ca 0.01 -0.62 0.02 0.00 0.00 0.00 0.00 60.65 60.05 2a3x s ILE 94 Cb -0.15 -2.33 0.01 0.00 0.01 0.00 0.00 42.46 40.01 2a3x s ILE 94 CO 0.01 0.58 -0.10 0.00 0.00 0.00 0.00 174.94 175.43 2a3x s VAL 96 N 0.64 1.50 -0.07 0.00 0.11 0.28 0.09 120.40 122.94 2a3x s VAL 96 Ca -0.12 -0.71 0.03 0.00 -2.93 0.00 0.00 61.98 58.25 2a3x s VAL 96 Cb -0.14 -1.32 0.00 0.00 -1.53 0.00 0.00 36.38 33.39 2a3x s VAL 96 CO 0.02 0.43 -0.18 -0.94 -3.33 0.00 0.00 175.10 171.11 2a3x s SER 97 N 0.39 2.35 0.03 3.54 1.04 -0.56 -0.23 113.70 120.26 2a3x s SER 97 Ca -0.13 -0.41 0.06 0.00 0.48 0.00 0.00 55.95 55.95 2a3x s SER 97 Cb -0.15 -0.99 -0.02 0.00 0.10 0.00 0.00 66.02 64.95 2a3x s SER 97 CO 0.05 0.11 -0.17 0.86 0.98 0.00 0.00 173.24 175.06 2a3x s TRP 98 N 0.41 1.51 -0.19 5.02 -0.00 0.18 -0.77 118.94 125.10 2a3x s TRP 98 Ca -0.14 -0.34 -0.05 0.00 -0.00 0.00 0.00 56.10 55.57 2a3x s TRP 98 Cb -0.16 -0.91 0.07 0.00 -0.00 0.00 0.00 33.47 32.47 2a3x s TRP 98 CO 0.05 0.04 0.13 -2.00 -0.00 0.00 0.00 176.95 175.17 2a3x s GLU 99 N -0.98 0.10 0.26 5.86 2.12 -1.20 -1.47 118.70 123.39 2a3x s GLU 99 Ca 0.05 -0.05 -0.03 0.00 0.36 0.00 0.00 54.97 55.29 2a3x s GLU 99 Cb -0.08 -1.62 0.36 0.00 0.26 0.00 0.00 34.13 33.05 2a3x s GLU 99 CO 0.01 -0.70 1.91 1.03 -0.54 0.00 0.00 175.26 176.97 2a3x h SER 100 N 8.39 1.07 -0.66 -1.70 0.87 -1.73 0.24 113.55 120.04 2a3x h SER 100 Ca -0.16 -0.01 0.07 0.00 -1.23 0.00 0.00 61.79 60.47 2a3x h SER 100 Cb 1.14 -0.24 -0.06 0.00 -0.44 0.00 0.00 62.40 62.80 2a3x h SER 100 CO 0.30 0.73 0.34 0.77 -0.53 0.00 0.00 176.83 178.43 2a3x h SER 101 N 1.24 0.46 0.00 6.23 4.64 -1.90 0.13 113.55 124.35 2a3x h SER 101 Ca 0.40 0.05 -0.16 0.00 -0.47 0.00 0.00 61.79 61.61 2a3x h SER 101 Cb 0.03 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 2a3x h SER 101 CO -0.13 0.29 -2.06 -1.54 -0.87 0.00 0.00 176.83 172.52 2a3x n SER 102 N -4.85 0.57 0.00 4.97 3.41 -1.15 -4.44 113.62 112.13 2a3x n SER 102 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 2a3x n SER 102 Cb 0.22 1.42 0.00 0.00 -0.26 0.00 0.00 64.21 65.59 2a3x n SER 102 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2a3x n GLY 103 N 1.64 1.30 3.64 5.00 0.00 0.84 -4.82 105.19 112.81 2a3x n GLY 103 Ca -0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 2a3x n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2a3x s ILE 104 N -2.65 3.54 0.00 -0.61 -1.09 -1.22 -1.73 121.20 117.44 2a3x s ILE 104 Ca 0.00 0.63 -0.16 0.00 -2.23 0.00 0.00 60.65 58.89 2a3x s ILE 104 Cb 0.00 -3.48 -0.06 0.00 -1.58 0.00 0.00 42.46 37.34 2a3x s ILE 104 CO 0.00 -0.14 0.45 0.00 -1.23 0.00 0.00 174.94 174.03 2a3x s ALA 105 N 4.82 3.65 -0.25 9.38 0.00 0.14 -3.22 121.76 136.27 2a3x s ALA 105 Ca 0.76 -0.15 -0.00 0.00 0.00 0.00 0.00 51.96 52.56 2a3x s ALA 105 Cb -0.31 -2.48 0.07 0.00 0.00 0.00 0.00 23.12 20.41 2a3x s ALA 105 CO 0.31 0.40 0.02 -1.21 0.00 0.00 0.00 175.76 175.28 2a3x s GLU 106 N -0.88 1.14 -0.24 0.00 2.02 0.05 -2.29 118.70 118.50 2a3x s GLU 106 Ca 0.25 -0.95 -0.14 0.00 0.02 0.00 0.00 54.97 54.16 2a3x s GLU 106 Cb -0.17 -2.37 -0.04 0.00 0.10 0.00 0.00 34.13 31.64 2a3x s GLU 106 CO 0.14 -0.74 0.32 -0.06 0.02 0.00 0.00 175.26 174.95 2a3x s PHE 107 N 1.52 3.30 -0.23 1.61 0.08 -1.26 -1.49 117.98 121.51 2a3x s PHE 107 Ca 0.01 0.41 -0.01 0.00 0.12 0.00 0.00 56.93 57.45 2a3x s PHE 107 Cb -0.18 -2.48 0.02 0.00 -0.57 0.00 0.00 43.02 39.81 2a3x s PHE 107 CO -0.12 -0.09 -0.09 -1.58 -0.10 0.00 0.00 175.22 173.24 2a3x s TRP 108 N 1.60 2.98 -0.16 0.36 0.52 0.11 -0.98 118.94 123.37 2a3x s TRP 108 Ca 0.14 -1.45 -0.02 0.00 0.02 0.00 0.00 56.10 54.78 2a3x s TRP 108 Cb -0.15 -2.03 -0.02 0.00 -1.15 0.00 0.00 33.47 30.12 2a3x s TRP 108 CO 0.08 -0.71 -0.09 0.42 0.02 0.00 0.00 176.95 176.68 2a3x s ILE 109 N 1.35 3.36 -1.06 2.03 -1.09 -0.13 -0.31 121.20 125.35 2a3x s ILE 109 Ca 0.02 -0.54 -0.11 0.00 -2.23 0.00 0.00 60.65 57.79 2a3x s ILE 109 Cb -0.15 -2.45 0.11 0.00 -1.58 0.00 0.00 42.46 38.38 2a3x s ILE 109 CO -0.06 0.50 0.35 0.59 -1.23 0.00 0.00 174.94 175.09 2a3x n ASN 110 N 3.77 -2.09 -0.45 3.58 3.02 -0.26 0.14 115.26 122.97 2a3x n ASN 110 Ca -0.18 -0.39 -0.04 0.00 -0.03 0.00 0.00 54.58 53.95 2a3x n ASN 110 Cb 0.52 -1.83 -0.00 0.00 -0.61 0.00 0.00 39.78 37.87 2a3x n ASN 110 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2a3x n GLY 111 N -0.89 0.22 3.03 7.41 0.00 -1.26 -5.03 105.19 108.67 2a3x n GLY 111 Ca 0.04 -0.72 -0.25 0.00 0.00 0.00 0.00 46.02 45.09 2a3x n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2a3x s THR 112 N -2.21 1.15 0.07 2.61 2.01 0.12 -5.00 115.64 114.39 2a3x s THR 112 Ca 0.00 -0.49 -0.31 0.00 0.31 0.00 0.00 61.69 61.21 2a3x s THR 112 Cb -0.00 -1.05 -0.07 0.00 0.01 0.00 0.00 72.50 71.39 2a3x s THR 112 CO 0.00 0.36 1.32 -2.16 -0.69 0.00 0.00 174.62 173.46 2a3x s PRO 113 N 0.66 4.35 0.79 4.92 0.04 -1.26 -0.95 135.00 143.55 2a3x s PRO 113 Ca -0.15 1.95 -0.07 0.00 0.04 0.00 0.00 61.00 62.77 2a3x s PRO 113 Cb -0.16 -3.34 0.17 0.00 0.04 0.00 0.00 34.50 31.21 2a3x s PRO 113 CO 0.04 -0.40 1.08 1.28 0.04 0.00 0.00 177.00 179.04 2a3x n LEU 114 N 4.21 0.00 -4.71 -3.56 4.77 -0.15 -4.96 117.00 112.60 2a3x n LEU 114 Ca 0.11 -1.75 -0.42 0.00 -0.03 0.00 0.00 56.01 53.92 2a3x n LEU 114 Cb 0.44 -0.76 -0.03 0.00 -2.33 0.00 0.00 43.42 40.74 2a3x n LEU 114 CO 0.57 -1.14 0.88 -0.69 -1.33 0.00 0.00 177.39 175.68 2a3x s VAL 115 N -3.27 4.11 0.19 4.08 1.01 -1.26 -4.78 120.40 120.48 2a3x s VAL 115 Ca 0.66 1.51 -0.30 0.00 0.00 0.00 0.00 61.98 63.85 2a3x s VAL 115 Cb -0.03 -3.97 -0.09 0.00 0.00 0.00 0.00 36.38 32.29 2a3x s VAL 115 CO 0.45 0.11 1.40 -0.54 0.00 0.00 0.00 175.10 176.52 2a3x s LYS 116 N 1.15 4.31 0.52 2.72 1.02 -1.26 -4.79 119.74 123.41 2a3x s LYS 116 Ca 0.58 2.18 0.01 0.00 0.02 0.00 0.00 55.97 58.76 2a3x s LYS 116 Cb -0.29 -3.17 0.01 0.00 -0.52 0.00 0.00 37.83 33.86 2a3x s LYS 116 CO 0.29 -0.40 0.10 1.63 -0.92 0.00 0.00 175.35 176.05 2a3x n LYS 117 N 3.01 0.75 -3.72 1.68 4.76 -0.97 -4.98 118.16 118.69 2a3x n LYS 117 Ca 0.09 -3.64 -0.14 0.00 -2.87 0.00 0.00 58.31 51.75 2a3x n LYS 117 Cb 0.41 0.84 -0.09 0.00 -1.84 0.00 0.00 35.03 34.35 2a3x n LYS 117 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2a3x s GLY 118 N -3.91 -0.30 -0.22 0.72 0.00 -1.26 -0.68 107.32 101.67 2a3x s GLY 118 Ca 0.08 0.95 -0.27 0.00 0.00 0.00 0.00 44.72 45.48 2a3x s GLY 118 CO 0.05 0.76 0.99 0.48 0.00 0.00 0.00 173.10 175.37 2a3x s LEU 119 N -0.38 -0.44 -0.89 0.66 2.34 -0.71 -4.95 118.68 114.31 2a3x s LEU 119 Ca -0.05 0.71 -0.04 0.00 0.06 0.00 0.00 54.13 54.81 2a3x s LEU 119 Cb -0.03 1.93 -0.03 0.00 -0.56 0.00 0.00 46.19 47.50 2a3x s LEU 119 CO 0.03 -0.25 0.78 0.54 -1.06 0.00 0.00 176.35 176.39 2a3x n ARG 120 N 1.62 -1.65 -2.13 1.48 1.74 -1.26 -4.61 116.66 111.84 2a3x n ARG 120 Ca -0.12 1.13 -0.42 0.00 -0.77 0.00 0.00 57.85 57.67 2a3x n ARG 120 Cb 0.57 -5.41 -0.03 0.00 -1.02 0.00 0.00 32.46 26.57 2a3x n ARG 120 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2a3x s GLN 121 N -3.90 4.25 -0.51 5.56 0.74 -1.26 -3.28 119.66 121.25 2a3x s GLN 121 Ca 0.21 2.07 -0.03 0.00 0.05 0.00 0.00 55.36 57.66 2a3x s GLN 121 Cb -0.04 -3.63 0.00 0.00 1.10 0.00 0.00 33.01 30.45 2a3x s GLN 121 CO 0.77 -0.65 0.34 0.41 -0.55 0.00 0.00 175.29 175.61 2a3x n GLY 122 N 3.78 0.35 3.25 2.59 0.00 0.44 -5.03 105.19 110.57 2a3x n GLY 122 Ca 0.14 -0.39 -0.27 0.00 0.00 0.00 0.00 46.02 45.50 2a3x n GLY 122 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2a3x s TYR 123 N -2.96 1.91 -0.20 1.61 5.04 -1.20 -5.05 117.35 116.50 2a3x s TYR 123 Ca 0.17 -0.37 -0.05 0.00 -2.44 0.00 0.00 57.07 54.37 2a3x s TYR 123 Cb -0.07 -1.18 -0.03 0.00 0.35 0.00 0.00 41.96 41.03 2a3x s TYR 123 CO 0.21 0.04 0.01 -0.06 -1.34 0.00 0.00 175.55 174.40 2a3x s PHE 124 N -0.67 3.06 0.39 4.97 0.40 -1.26 -4.72 117.98 120.14 2a3x s PHE 124 Ca 0.08 -0.40 -0.25 0.00 -0.60 0.00 0.00 56.93 55.76 2a3x s PHE 124 Cb -0.09 -2.08 -0.09 0.00 0.51 0.00 0.00 43.02 41.28 2a3x s PHE 124 CO 0.01 -0.20 1.12 0.14 0.70 0.00 0.00 175.22 176.99 2a3x s VAL 125 N 0.93 3.40 0.48 -0.44 -7.23 -1.06 -4.87 120.40 111.60 2a3x s VAL 125 Ca 0.01 1.16 -0.22 0.00 -1.81 0.00 0.00 61.98 61.12 2a3x s VAL 125 Cb -0.14 -3.64 -0.07 0.00 0.56 0.00 0.00 36.38 33.09 2a3x s VAL 125 CO 0.02 0.09 1.16 -1.61 -0.31 0.00 0.00 175.10 174.45 2a3x s GLU 126 N -2.28 3.68 0.76 4.82 0.41 -1.26 -1.83 118.70 123.00 2a3x s GLU 126 Ca 0.56 1.75 -0.09 0.00 -0.41 0.00 0.00 54.97 56.79 2a3x s GLU 126 Cb -0.28 -2.33 0.09 0.00 -1.78 0.00 0.00 34.13 29.83 2a3x s GLU 126 CO 0.35 -0.62 1.09 0.00 -0.49 0.00 0.00 175.26 175.59 2a3x s ALA 127 N -1.58 2.96 -0.79 5.21 0.00 -1.26 -4.70 121.76 121.60 2a3x s ALA 127 Ca 0.65 -0.94 -0.01 0.00 0.00 0.00 0.00 51.96 51.67 2a3x s ALA 127 Cb -0.28 -2.67 -0.00 0.00 0.00 0.00 0.00 23.12 20.17 2a3x s ALA 127 CO 0.34 -1.53 0.66 0.94 0.00 0.00 0.00 175.76 176.16 2a3x n GLN 128 N -3.11 -1.43 -2.83 0.00 7.27 -1.26 -4.87 117.38 111.16 2a3x n GLN 128 Ca 0.09 1.11 -0.18 0.00 0.07 0.00 0.00 57.00 58.09 2a3x n GLN 128 Cb 0.60 -4.06 0.07 0.00 2.41 0.00 0.00 30.24 29.26 2a3x n GLN 128 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 2a3x n PRO 129 N -2.26 0.59 -4.10 3.69 -0.04 -1.26 -4.70 135.00 126.93 2a3x n PRO 129 Ca -0.16 -2.91 -0.34 0.00 -0.04 0.00 0.00 63.50 60.05 2a3x n PRO 129 Cb 0.60 -0.25 -0.15 0.00 -0.04 0.00 0.00 33.50 33.66 2a3x n PRO 129 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2a3x s LYS 130 N -4.50 3.23 -0.25 0.54 2.47 -0.70 -4.96 119.74 115.57 2a3x s LYS 130 Ca 0.58 -0.71 -0.08 0.00 -1.56 0.00 0.00 55.97 54.19 2a3x s LYS 130 Cb -0.04 -2.79 -0.04 0.00 -1.46 0.00 0.00 37.83 33.50 2a3x s LYS 130 CO 0.37 -0.16 0.10 0.42 0.16 0.00 0.00 175.35 176.24 2a3x s ILE 131 N 1.28 4.62 0.10 5.43 1.09 -1.25 -2.70 121.20 129.77 2a3x s ILE 131 Ca 0.03 -0.07 0.09 0.00 -1.10 0.00 0.00 60.65 59.60 2a3x s ILE 131 Cb -0.14 -3.16 -0.04 0.00 -1.06 0.00 0.00 42.46 38.06 2a3x s ILE 131 CO -0.06 0.34 -0.19 0.68 -0.10 0.00 0.00 174.94 175.61 2a3x s VAL 132 N 1.46 2.75 0.19 2.92 -7.23 -0.26 0.02 120.40 120.25 2a3x s VAL 132 Ca 0.06 -1.45 0.08 0.00 -1.81 0.00 0.00 61.98 58.86 2a3x s VAL 132 Cb -0.15 -2.23 -0.04 0.00 0.56 0.00 0.00 36.38 34.52 2a3x s VAL 132 CO 0.05 0.16 -0.05 -0.76 -0.31 0.00 0.00 175.10 174.19 2a3x s LEU 133 N -1.94 3.12 0.00 1.32 1.02 0.31 -2.31 118.68 120.19 2a3x s LEU 133 Ca 0.17 -0.53 0.00 0.00 0.02 0.00 0.00 54.13 53.79 2a3x s LEU 133 Cb -0.10 -1.77 0.00 0.00 0.02 0.00 0.00 46.19 44.34 2a3x s LEU 133 CO 0.08 0.08 0.00 0.61 0.02 0.00 0.00 176.35 177.14 2a3x n GLY 134 N -0.17 2.91 3.11 -3.19 0.00 -1.26 -2.65 105.19 103.94 2a3x n GLY 134 Ca -0.10 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 2a3x n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2a3x s GLN 135 N 0.00 0.72 -0.16 1.61 -1.52 -1.26 -0.84 119.66 118.21 2a3x s GLN 135 Ca 0.00 -1.30 -0.07 0.00 -1.95 0.00 0.00 55.36 52.04 2a3x s GLN 135 Cb 0.00 0.19 -0.04 0.00 -0.22 0.00 0.00 33.01 32.94 2a3x s GLN 135 CO 0.00 -0.15 0.08 -2.00 -0.25 0.00 0.00 175.29 172.97 2a3x s GLU 136 N -3.95 3.75 -0.11 2.91 -6.30 -1.26 -4.64 118.70 109.09 2a3x s GLU 136 Ca 0.13 -0.29 -0.21 0.00 -2.50 0.00 0.00 54.97 52.10 2a3x s GLU 136 Cb 0.08 -3.18 -0.04 0.00 0.00 0.00 0.00 34.13 30.99 2a3x s GLU 136 CO -0.06 0.45 0.61 -0.65 0.02 0.00 0.00 175.26 175.63 2a3x s GLN 137 N -0.12 4.35 -0.01 4.30 -0.21 -1.26 -4.07 119.66 122.65 2a3x s GLN 137 Ca 0.08 0.68 0.15 0.00 0.02 0.00 0.00 55.36 56.29 2a3x s GLN 137 Cb -0.12 -3.48 -0.19 0.00 1.00 0.00 0.00 33.01 30.23 2a3x s GLN 137 CO 0.01 0.02 0.50 -0.25 -2.12 0.00 0.00 175.29 173.45 2a3x n ASP 138 N 4.06 1.05 -1.00 5.90 9.92 -0.97 -4.59 116.55 130.92 2a3x n ASP 138 Ca -0.03 -0.50 0.00 0.00 -0.53 0.00 0.00 54.79 53.73 2a3x n ASP 138 Cb 0.51 1.28 0.00 0.00 -0.64 0.00 0.00 41.12 42.27 2a3x n ASP 138 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 2a3x n SER 139 N -1.62 0.69 -4.42 -2.24 3.41 -1.13 -4.81 113.62 103.49 2a3x n SER 139 Ca 0.00 -0.75 -0.43 0.00 -0.26 0.00 0.00 58.87 57.44 2a3x n SER 139 Cb 0.29 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 2a3x n SER 139 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2a3x n TYR 140 N 0.00 4.57 0.00 7.33 9.36 -1.26 -4.06 117.16 133.10 2a3x n TYR 140 Ca 0.00 -3.02 0.00 0.00 3.32 0.00 0.00 57.90 58.20 2a3x n TYR 140 Cb 0.00 -2.44 0.00 0.00 -0.63 0.00 0.00 39.34 36.27 2a3x n TYR 140 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2a3x n GLY 141 N 4.69 2.09 0.00 2.98 0.00 -1.26 -5.00 105.19 108.69 2a3x n GLY 141 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.47 2a3x n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a3x n GLY 142 N -0.41 5.36 3.16 -0.02 0.00 -1.26 -5.02 105.19 107.00 2a3x n GLY 142 Ca 0.00 -1.31 -0.04 0.00 0.00 0.00 0.00 46.02 44.67 2a3x n GLY 142 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2a3x n LYS 143 N 0.00 -1.39 -3.03 1.61 5.02 -1.26 -2.80 118.16 116.30 2a3x n LYS 143 Ca 0.00 1.42 -0.22 0.00 -2.02 0.00 0.00 58.31 57.48 2a3x n LYS 143 Cb 0.00 -5.26 0.01 0.00 -0.02 0.00 0.00 35.03 29.76 2a3x n LYS 143 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2a3x s PHE 144 N -2.98 3.20 -0.06 2.13 0.08 -1.26 -2.30 117.98 116.80 2a3x s PHE 144 Ca 0.01 0.18 0.04 0.00 0.12 0.00 0.00 56.93 57.27 2a3x s PHE 144 Cb -0.00 -2.29 0.00 0.00 -0.57 0.00 0.00 43.02 40.16 2a3x s PHE 144 CO 0.77 -0.33 -0.17 0.34 -0.10 0.00 0.00 175.22 175.73 2a3x s ASP 145 N -4.22 2.25 0.15 1.36 -1.08 -1.26 -5.02 116.67 108.85 2a3x s ASP 145 Ca 0.48 -0.38 -0.10 0.00 -0.52 0.00 0.00 52.55 52.02 2a3x s ASP 145 Cb -0.10 -0.87 -0.02 0.00 -1.46 0.00 0.00 42.92 40.47 2a3x s ASP 145 CO 0.37 0.11 1.50 -0.09 0.52 0.00 0.00 175.17 177.58 2a3x h ARG 146 N 6.61 0.95 -0.51 4.34 2.43 -1.95 -2.50 114.38 123.75 2a3x h ARG 146 Ca -0.29 -0.47 0.00 0.00 -0.81 0.00 0.00 59.98 58.41 2a3x h ARG 146 Cb 1.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 2a3x h ARG 146 CO 0.47 1.13 0.00 -1.13 -1.51 0.00 0.00 179.97 178.94 2a3x n SER 147 N -4.07 0.51 0.00 -3.80 3.41 -1.26 -2.05 113.62 106.36 2a3x n SER 147 Ca -0.02 -1.68 0.00 0.00 -0.26 0.00 0.00 58.87 56.91 2a3x n SER 147 Cb 0.52 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 2a3x n SER 147 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2a3x n GLN 148 N -0.14 0.85 -1.87 4.33 6.02 -1.09 -4.74 117.38 120.74 2a3x n GLN 148 Ca 0.00 -0.04 -0.41 0.00 -0.01 0.00 0.00 57.00 56.54 2a3x n GLN 148 Cb 0.13 -0.31 -0.01 0.00 1.02 0.00 0.00 30.24 31.08 2a3x n GLN 148 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2a3x s SER 149 N -0.13 6.42 -0.07 1.08 1.04 -0.87 -2.13 113.70 119.04 2a3x s SER 149 Ca 0.00 2.97 -0.20 0.00 0.48 0.00 0.00 55.95 59.20 2a3x s SER 149 Cb 0.00 -2.66 -0.04 0.00 0.10 0.00 0.00 66.02 63.41 2a3x s SER 149 CO 0.00 -0.81 0.56 0.12 0.98 0.00 0.00 173.24 174.09 2a3x s PHE 150 N -1.13 3.58 -0.08 5.02 5.36 -0.02 -4.73 117.98 125.98 2a3x s PHE 150 Ca 0.52 1.06 0.03 0.00 -0.96 0.00 0.00 56.93 57.58 2a3x s PHE 150 Cb -0.45 -2.62 0.01 0.00 -0.34 0.00 0.00 43.02 39.62 2a3x s PHE 150 CO 0.61 0.21 -0.18 0.14 -1.46 0.00 0.00 175.22 174.54 2a3x s VAL 151 N 0.40 1.58 -3.65 3.12 -7.23 -1.26 -4.79 120.40 108.57 2a3x s VAL 151 Ca 0.30 -0.74 0.00 0.00 -1.81 0.00 0.00 61.98 59.73 2a3x s VAL 151 Cb -0.17 -1.40 0.00 0.00 0.56 0.00 0.00 36.38 35.37 2a3x s VAL 151 CO 0.14 0.45 0.00 0.61 -0.31 0.00 0.00 175.10 176.00 2a3x n GLY 152 N 3.70 0.22 3.00 2.32 0.00 0.75 -4.61 105.19 110.56 2a3x n GLY 152 Ca -0.21 -1.19 -0.30 0.00 0.00 0.00 0.00 46.02 44.32 2a3x n GLY 152 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2a3x s GLU 153 N -2.00 2.12 -0.05 1.61 2.02 0.15 -0.33 118.70 122.21 2a3x s GLU 153 Ca 0.00 -0.64 0.05 0.00 0.02 0.00 0.00 54.97 54.40 2a3x s GLU 153 Cb 0.00 -2.18 -0.02 0.00 0.10 0.00 0.00 34.13 32.03 2a3x s GLU 153 CO 0.00 -0.32 -0.19 0.42 0.02 0.00 0.00 175.26 175.20 2a3x s ILE 154 N 1.48 2.66 0.37 -1.63 1.01 -0.53 0.14 121.20 124.70 2a3x s ILE 154 Ca 0.03 -0.87 -0.10 0.00 0.00 0.00 0.00 60.65 59.71 2a3x s ILE 154 Cb -0.14 -2.01 0.03 0.00 0.01 0.00 0.00 42.46 40.35 2a3x s ILE 154 CO -0.10 0.58 0.67 -0.83 0.00 0.00 0.00 174.94 175.26 2a3x s GLY 155 N -0.52 0.84 -1.54 6.18 0.00 -0.20 -0.31 107.32 111.76 2a3x s GLY 155 Ca 0.07 -1.08 -0.10 0.00 0.00 0.00 0.00 44.72 43.61 2a3x s GLY 155 CO 0.01 -0.59 0.72 1.22 0.00 0.00 0.00 173.10 174.45 2a3x n ASP 156 N -1.45 -2.62 -4.64 1.64 8.00 -1.26 -0.29 116.55 115.94 2a3x n ASP 156 Ca -0.05 -0.94 -0.42 0.00 0.71 0.00 0.00 54.79 54.09 2a3x n ASP 156 Cb 0.61 -3.22 -0.03 0.00 -0.02 0.00 0.00 41.12 38.46 2a3x n ASP 156 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2a3x s LEU 157 N -7.14 4.06 0.08 0.64 1.98 -1.26 -3.79 118.68 113.25 2a3x s LEU 157 Ca 0.45 1.10 0.04 0.00 -2.89 0.00 0.00 54.13 52.83 2a3x s LEU 157 Cb -0.24 -3.37 -0.03 0.00 0.66 0.00 0.00 46.19 43.21 2a3x s LEU 157 CO 0.88 -0.66 -0.11 -0.31 -1.89 0.00 0.00 176.35 174.26 2a3x s TYR 158 N 3.16 1.06 -0.19 5.38 1.51 0.70 -2.23 117.35 126.74 2a3x s TYR 158 Ca 0.40 -0.58 -0.05 0.00 -1.01 0.00 0.00 57.07 55.84 2a3x s TYR 158 Cb -0.14 -0.59 0.10 0.00 -0.11 0.00 0.00 41.96 41.22 2a3x s TYR 158 CO 0.09 0.01 0.33 1.41 -1.11 0.00 0.00 175.55 176.29 2a3x s MET 159 N -2.32 0.26 0.15 -0.62 1.75 0.14 -1.44 119.30 117.22 2a3x s MET 159 Ca 0.01 0.68 0.04 0.00 -1.25 0.00 0.00 55.69 55.18 2a3x s MET 159 Cb -0.06 -0.23 -0.04 0.00 2.84 0.00 0.00 34.83 37.34 2a3x s MET 159 CO 0.01 -0.43 0.19 -1.58 -0.65 0.00 0.00 175.02 172.56 2a3x s TRP 160 N 2.50 3.28 -2.19 4.11 0.51 -0.00 -1.13 118.94 126.02 2a3x s TRP 160 Ca 0.05 0.04 0.22 0.00 -2.12 0.00 0.00 56.10 54.29 2a3x s TRP 160 Cb -0.14 -1.58 1.04 0.00 -0.81 0.00 0.00 33.47 31.98 2a3x s TRP 160 CO -0.12 0.52 1.71 -0.40 -0.51 0.00 0.00 176.95 178.14 2a3x n ASP 161 N -0.39 0.93 -4.49 2.95 5.75 -1.26 -1.79 116.55 118.25 2a3x n ASP 161 Ca -0.08 -1.51 -0.23 0.00 -0.01 0.00 0.00 54.79 52.96 2a3x n ASP 161 Cb 0.54 -0.04 -0.11 0.00 -1.03 0.00 0.00 41.12 40.48 2a3x n ASP 161 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2a3x s SER 162 N -1.69 2.87 -0.46 -1.12 1.04 -1.26 -4.20 113.70 108.89 2a3x s SER 162 Ca 0.34 -1.33 -0.24 0.00 0.48 0.00 0.00 55.95 55.20 2a3x s SER 162 Cb 0.17 -0.19 0.03 0.00 0.10 0.00 0.00 66.02 66.13 2a3x s SER 162 CO 0.27 -0.50 0.84 -0.69 0.98 0.00 0.00 173.24 174.14 2a3x s VAL 163 N -3.07 4.58 0.14 5.02 1.01 -1.26 -2.73 120.40 124.09 2a3x s VAL 163 Ca 0.34 0.52 -0.30 0.00 0.00 0.00 0.00 61.98 62.54 2a3x s VAL 163 Cb 0.08 -4.37 -0.07 0.00 0.00 0.00 0.00 36.38 32.02 2a3x s VAL 163 CO 0.15 -0.77 1.19 -0.22 0.00 0.00 0.00 175.10 175.45 2a3x s LEU 164 N 3.47 4.42 0.62 3.92 2.96 -1.26 -5.05 118.68 127.76 2a3x s LEU 164 Ca 0.32 2.15 -0.08 0.00 -0.22 0.00 0.00 54.13 56.30 2a3x s LEU 164 Cb -0.11 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.98 2a3x s LEU 164 CO 0.24 -0.40 0.96 -2.16 -1.32 0.00 0.00 176.35 173.67 2a3x s PRO 165 N 0.26 3.04 0.17 0.98 0.04 -1.26 -4.85 135.00 133.37 2a3x s PRO 165 Ca 0.55 0.24 -0.25 0.00 0.04 0.00 0.00 61.00 61.57 2a3x s PRO 165 Cb -0.31 -2.19 0.04 0.00 0.04 0.00 0.00 34.50 32.08 2a3x s PRO 165 CO 0.34 -0.73 1.57 -1.35 0.04 0.00 0.00 177.00 176.86 2a3x h PRO 166 N -0.29 -0.22 -0.82 0.56 0.11 -1.99 -2.15 132.00 127.21 2a3x h PRO 166 Ca -0.45 0.01 0.19 0.00 0.11 0.00 0.00 66.00 65.86 2a3x h PRO 166 Cb 1.24 0.05 -0.12 0.00 0.11 0.00 0.00 31.00 32.28 2a3x h PRO 166 CO 0.62 -0.14 0.28 0.93 -0.21 0.00 0.00 178.00 179.47 2a3x h GLU 167 N -0.22 0.32 -0.11 1.05 3.07 -1.98 0.45 114.58 117.17 2a3x h GLU 167 Ca 0.18 -0.02 -0.11 0.00 -0.50 0.00 0.00 59.36 58.91 2a3x h GLU 167 Cb 0.56 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.39 2a3x h GLU 167 CO -0.69 0.21 -0.44 -0.91 -1.40 0.00 0.00 179.01 175.79 2a3x h ASN 168 N 0.33 0.27 0.14 1.42 2.35 -1.82 0.14 115.58 118.41 2a3x h ASN 168 Ca 0.49 -0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 56.11 2a3x h ASN 168 Cb 0.87 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.17 2a3x h ASN 168 CO -0.52 0.68 -0.07 0.40 -1.65 0.00 0.00 177.43 176.27 2a3x h ILE 169 N 0.21 0.96 0.00 2.81 1.08 0.31 -1.44 117.51 121.43 2a3x h ILE 169 Ca 0.02 -0.42 -0.00 0.00 -0.39 0.00 0.00 64.86 64.07 2a3x h ILE 169 Cb 0.87 1.22 -0.00 0.00 -3.07 0.00 0.00 36.82 35.83 2a3x h ILE 169 CO 0.07 0.10 -0.02 -0.07 -0.69 0.00 0.00 178.15 177.54 2a3x h LEU 170 N -0.39 0.00 -0.44 1.44 3.38 -0.30 -1.23 115.31 117.77 2a3x h LEU 170 Ca -0.02 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 2a3x h LEU 170 Cb 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2a3x h LEU 170 CO 0.03 0.02 -0.20 0.28 0.09 0.00 0.00 178.44 178.65 2a3x h SER 171 N 0.00 0.95 -0.35 -0.43 0.02 -0.50 0.90 113.55 114.13 2a3x h SER 171 Ca -0.00 -0.40 -0.08 0.00 -0.84 0.00 0.00 61.79 60.48 2a3x h SER 171 Cb 0.03 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 2a3x h SER 171 CO 0.00 1.14 -0.08 0.00 -1.14 0.00 0.00 176.83 176.75 2a3x h ALA 172 N 0.84 0.48 -0.64 3.77 0.00 -0.26 0.14 119.26 123.59 2a3x h ALA 172 Ca 0.10 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 2a3x h ALA 172 Cb 0.77 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2a3x h ALA 172 CO 0.06 0.32 0.05 -0.92 0.00 0.00 0.00 179.25 178.77 2a3x h TYR 173 N 0.46 1.17 0.00 0.00 3.20 -1.28 -2.99 116.97 117.52 2a3x h TYR 173 Ca 0.09 -0.18 -0.03 0.00 3.14 0.00 0.00 58.73 61.75 2a3x h TYR 173 Cb 0.58 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 38.53 2a3x h TYR 173 CO 0.05 1.00 -0.14 1.96 -1.64 0.00 0.00 178.16 179.39 2a3x h GLN 174 N 1.00 0.00 0.00 1.82 4.20 -0.68 -3.46 115.11 117.99 2a3x h GLN 174 Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 2a3x h GLN 174 Cb 0.50 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.28 2a3x h GLN 174 CO 0.02 0.14 0.00 0.41 -0.67 0.00 0.00 178.83 178.73 2a3x n GLY 175 N -0.59 1.15 2.57 3.46 0.00 -0.85 -5.05 105.19 105.87 2a3x n GLY 175 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 2a3x n GLY 175 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2a3x n THR 176 N -0.18 1.67 -2.60 2.61 -2.24 -0.02 -4.99 114.28 108.53 2a3x n THR 176 Ca 0.00 -4.90 -0.34 0.00 -2.27 0.00 0.00 64.05 56.54 2a3x n THR 176 Cb 0.00 -2.10 -0.04 0.00 -2.10 0.00 0.00 70.33 66.09 2a3x n THR 176 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2a3x s PRO 177 N -1.88 3.91 0.54 -0.78 0.04 -1.21 -4.31 135.00 131.30 2a3x s PRO 177 Ca 0.34 1.27 -0.20 0.00 0.04 0.00 0.00 61.00 62.45 2a3x s PRO 177 Cb 0.08 -2.12 -0.06 0.00 0.04 0.00 0.00 34.50 32.44 2a3x s PRO 177 CO -0.09 -0.32 1.13 -0.51 0.04 0.00 0.00 177.00 177.26 2a3x s LEU 178 N -3.46 3.77 -0.03 -3.56 1.02 -1.26 -4.93 118.68 110.24 2a3x s LEU 178 Ca 0.65 2.19 -0.33 0.00 0.02 0.00 0.00 54.13 56.66 2a3x s LEU 178 Cb -0.14 -4.55 -0.12 0.00 0.02 0.00 0.00 46.19 41.40 2a3x s LEU 178 CO 0.19 -1.19 1.85 -2.65 0.02 0.00 0.00 176.35 174.56 2a3x n PRO 179 N -1.23 2.29 -3.26 1.29 -0.02 -1.26 -4.97 135.00 127.84 2a3x n PRO 179 Ca 0.11 0.84 -0.24 0.00 -2.02 0.00 0.00 63.50 62.19 2a3x n PRO 179 Cb 0.51 -2.69 -0.01 0.00 -0.02 0.00 0.00 33.50 31.29 2a3x n PRO 179 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2a3x s ALA 180 N 3.59 3.70 0.00 3.55 0.00 -1.26 -5.02 121.76 126.31 2a3x s ALA 180 Ca 0.90 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.93 2a3x s ALA 180 Cb -0.65 -2.14 0.00 0.00 0.00 0.00 0.00 23.12 20.33 2a3x s ALA 180 CO 0.48 -0.11 0.50 0.27 0.00 0.00 0.00 175.76 176.90 2a3x n ASN 181 N -1.87 0.46 -0.04 0.00 0.23 -1.20 -4.76 115.26 108.08 2a3x n ASN 181 Ca -0.03 -1.20 -0.09 0.00 -0.53 0.00 0.00 54.58 52.73 2a3x n ASN 181 Cb 0.56 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.24 2a3x n ASN 181 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 2a3x n ILE 182 N -0.10 1.00 -4.32 1.53 5.41 -0.28 -4.87 119.36 117.73 2a3x n ILE 182 Ca 0.00 0.05 -0.21 0.00 1.00 0.00 0.00 62.75 63.59 2a3x n ILE 182 Cb 0.37 -1.79 -0.16 0.00 -0.71 0.00 0.00 39.64 37.35 2a3x n ILE 182 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 2a3x s LEU 183 N -7.02 1.48 -0.15 1.39 2.01 -1.00 -4.53 118.68 110.86 2a3x s LEU 183 Ca -0.15 -0.19 -0.01 0.00 0.01 0.00 0.00 54.13 53.80 2a3x s LEU 183 Cb 0.04 -0.57 0.04 0.00 0.01 0.00 0.00 46.19 45.71 2a3x s LEU 183 CO 0.20 -0.01 -0.03 -0.62 1.01 0.00 0.00 176.35 176.90 2a3x s ASP 184 N 0.75 2.55 0.51 2.29 2.15 -1.26 -0.68 116.67 122.98 2a3x s ASP 184 Ca -0.12 -0.55 0.20 0.00 0.43 0.00 0.00 52.55 52.51 2a3x s ASP 184 Cb -0.14 -0.77 1.31 0.00 -0.30 0.00 0.00 42.92 43.01 2a3x s ASP 184 CO 0.01 -0.20 2.10 -0.25 -0.17 0.00 0.00 175.17 176.67 2a3x h TRP 185 N 8.18 0.00 -0.00 -5.34 2.91 -1.82 -1.29 115.95 118.60 2a3x h TRP 185 Ca -0.23 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.79 2a3x h TRP 185 Cb 1.12 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.77 2a3x h TRP 185 CO 0.43 0.08 -0.01 1.04 -1.03 0.00 0.00 178.44 178.95 2a3x n GLN 186 N -4.19 0.51 -2.73 2.65 6.02 -1.26 -2.59 117.38 115.78 2a3x n GLN 186 Ca -0.03 -0.02 -0.08 0.00 -0.01 0.00 0.00 57.00 56.86 2a3x n GLN 186 Cb 0.17 -1.50 0.07 0.00 1.02 0.00 0.00 30.24 30.00 2a3x n GLN 186 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2a3x n ALA 187 N -1.23 -1.34 -2.73 -1.58 0.00 -0.69 -3.80 120.51 109.13 2a3x n ALA 187 Ca 0.15 -1.31 -0.37 0.00 0.00 0.00 0.00 53.44 51.92 2a3x n ALA 187 Cb 0.23 -1.47 -0.06 0.00 0.00 0.00 0.00 19.45 18.15 2a3x n ALA 187 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2a3x s LEU 188 N -1.45 4.42 -0.60 0.00 2.96 -0.57 -4.51 118.68 118.93 2a3x s LEU 188 Ca 0.26 0.66 -0.19 0.00 -0.22 0.00 0.00 54.13 54.64 2a3x s LEU 188 Cb 0.26 -2.30 0.11 0.00 0.50 0.00 0.00 46.19 44.76 2a3x s LEU 188 CO -0.14 0.37 0.69 0.21 -1.32 0.00 0.00 176.35 176.16 2a3x s ASN 189 N -1.10 6.20 0.23 3.68 2.47 -1.26 -2.80 114.94 122.35 2a3x s ASN 189 Ca 0.19 -1.50 0.10 0.00 0.42 0.00 0.00 52.86 52.08 2a3x s ASN 189 Cb -0.14 -2.29 -0.04 0.00 -1.45 0.00 0.00 41.25 37.32 2a3x s ASN 189 CO 0.08 -1.08 -0.13 -0.72 -3.72 0.00 0.00 177.10 171.53 2a3x s TYR 190 N 2.54 2.50 -0.07 0.43 1.13 -1.26 -2.15 117.35 120.47 2a3x s TYR 190 Ca 0.11 -0.28 -0.03 0.00 -1.41 0.00 0.00 57.07 55.47 2a3x s TYR 190 Cb -0.24 -1.15 0.04 0.00 -1.10 0.00 0.00 41.96 39.51 2a3x s TYR 190 CO 0.05 0.60 0.13 -1.21 -2.51 0.00 0.00 175.55 172.61 2a3x s GLU 191 N -3.22 0.01 -0.26 -3.49 2.02 -0.76 -4.97 118.70 108.02 2a3x s GLU 191 Ca 0.27 0.49 -0.19 0.00 0.02 0.00 0.00 54.97 55.57 2a3x s GLU 191 Cb -0.07 -0.32 -0.02 0.00 0.10 0.00 0.00 34.13 33.81 2a3x s GLU 191 CO 0.15 -0.30 0.55 0.42 0.02 0.00 0.00 175.26 176.11 2a3x s ILE 192 N 2.13 5.05 -0.21 -1.63 1.01 -1.26 -0.40 121.20 125.89 2a3x s ILE 192 Ca 0.02 0.96 -0.02 0.00 0.00 0.00 0.00 60.65 61.60 2a3x s ILE 192 Cb -0.12 -3.86 -0.00 0.00 0.01 0.00 0.00 42.46 38.49 2a3x s ILE 192 CO -0.05 0.07 -0.09 -0.13 0.00 0.00 0.00 174.94 174.75 2a3x s ARG 193 N 2.35 3.29 3.10 2.79 1.81 -0.20 -5.02 118.95 127.06 2a3x s ARG 193 Ca 0.23 -0.68 0.00 0.00 -1.72 0.00 0.00 55.73 53.56 2a3x s ARG 193 Cb -0.16 -2.88 0.00 0.00 -0.45 0.00 0.00 34.95 31.46 2a3x s ARG 193 CO 0.09 -0.18 0.00 0.41 -0.68 0.00 0.00 175.30 174.94 2a3x n GLY 194 N 4.68 -0.29 3.43 -3.53 0.00 -1.26 -0.87 105.19 107.35 2a3x n GLY 194 Ca -0.19 -1.11 -0.44 0.00 0.00 0.00 0.00 46.02 44.29 2a3x n GLY 194 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2a3x s TYR 195 N 0.00 3.06 -0.12 1.61 5.04 -1.26 -4.88 117.35 120.79 2a3x s TYR 195 Ca 0.00 -1.21 -0.06 0.00 -2.44 0.00 0.00 57.07 53.36 2a3x s TYR 195 Cb 0.00 -4.21 0.05 0.00 0.35 0.00 0.00 41.96 38.14 2a3x s TYR 195 CO 0.00 -1.46 0.29 0.54 -1.34 0.00 0.00 175.55 173.58 2a3x s VAL 196 N 2.78 -0.03 0.26 3.14 0.11 -1.26 -4.37 120.40 121.02 2a3x s VAL 196 Ca 0.27 0.13 0.09 0.00 -2.93 0.00 0.00 61.98 59.54 2a3x s VAL 196 Cb -0.10 -0.43 -0.04 0.00 -1.53 0.00 0.00 36.38 34.27 2a3x s VAL 196 CO -0.03 0.05 0.00 -0.63 -3.33 0.00 0.00 175.10 171.16 2a3x s ILE 197 N 1.23 3.50 -0.28 7.04 -1.09 -0.63 -4.94 121.20 126.03 2a3x s ILE 197 Ca -0.09 -1.86 -0.08 0.00 -2.23 0.00 0.00 60.65 56.40 2a3x s ILE 197 Cb -0.09 -2.86 -0.01 0.00 -1.58 0.00 0.00 42.46 37.91 2a3x s ILE 197 CO -0.09 -0.35 0.09 -0.63 -1.23 0.00 0.00 174.94 172.72 2a3x s ILE 198 N -2.27 4.22 0.18 2.92 1.01 -1.26 -0.32 121.20 125.68 2a3x s ILE 198 Ca 0.31 -0.43 0.07 0.00 0.00 0.00 0.00 60.65 60.60 2a3x s ILE 198 Cb -0.07 -3.08 -0.05 0.00 0.01 0.00 0.00 42.46 39.27 2a3x s ILE 198 CO 0.20 0.19 -0.13 -0.54 0.00 0.00 0.00 174.94 174.65 2a3x s LYS 199 N 1.57 1.23 0.44 2.79 -0.14 -0.99 -4.95 119.74 119.69 2a3x s LYS 199 Ca 0.05 -1.52 -0.24 0.00 -1.36 0.00 0.00 55.97 52.90 2a3x s LYS 199 Cb -0.16 -0.97 -0.10 0.00 -1.68 0.00 0.00 37.83 34.92 2a3x s LYS 199 CO 0.04 0.16 1.08 -0.35 -0.76 0.00 0.00 175.35 175.51 2a3x n PRO 200 N -0.23 1.46 -2.45 -1.68 -0.04 -1.26 -0.34 135.00 130.45 2a3x n PRO 200 Ca -0.09 0.52 -0.43 0.00 -0.04 0.00 0.00 63.50 63.46 2a3x n PRO 200 Cb 0.60 -2.16 -0.02 0.00 -0.04 0.00 0.00 33.50 31.88 2a3x n PRO 200 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2a3x s LEU 201 N -1.06 3.68 -0.07 1.53 2.96 0.72 -4.58 118.68 121.85 2a3x s LEU 201 Ca 0.64 0.83 0.08 0.00 -0.22 0.00 0.00 54.13 55.46 2a3x s LEU 201 Cb -0.53 -3.54 -0.11 0.00 0.50 0.00 0.00 46.19 42.51 2a3x s LEU 201 CO 0.56 -1.28 0.05 1.33 -1.32 0.00 0.00 176.35 175.70 2a3x n VAL 202 N 6.75 0.50 0.86 1.68 0.24 -1.26 -4.69 118.33 122.41 2a3x n VAL 202 Ca 0.15 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 2a3x n VAL 202 Cb 0.48 -0.62 0.03 0.00 -1.47 0.00 0.00 33.84 32.26 2a3x n VAL 202 CO 0.00 0.00 0.00 -2.67 -2.14 0.00 0.00 176.83 172.02 2a3x n TRP 203 N -2.24 0.16 -0.43 6.34 4.27 -1.26 -5.27 117.44 119.00 2a3x n TRP 203 Ca -0.12 -0.10 0.00 0.00 -3.89 0.00 0.00 57.50 53.39 2a3x n TRP 203 Cb 0.70 -0.14 0.00 0.00 -1.36 0.00 0.00 31.31 30.50 2a3x n TRP 203 CO 0.00 0.00 0.00 0.28 -2.29 0.00 0.00 177.69 175.68