#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 1.33 -0.45 1.59 2.01 -1.11 -4.85 115.64 114.16 2a3x s THR 2 Ca 0.00 -0.94 -0.29 0.00 0.31 0.00 0.00 61.69 60.77 2a3x s THR 2 Cb 0.00 -1.15 0.03 0.00 0.01 0.00 0.00 72.50 71.39 2a3x s THR 2 CO 0.00 0.19 1.11 -0.62 -0.69 0.00 0.00 174.62 174.61 2a3x s ASP 3 N -0.87 6.67 -0.20 3.53 -1.08 -1.25 -2.20 116.67 121.26 2a3x s ASP 3 Ca 0.05 0.53 0.15 0.00 -0.52 0.00 0.00 52.55 52.76 2a3x s ASP 3 Cb -0.07 -2.54 0.74 0.00 -1.46 0.00 0.00 42.92 39.58 2a3x s ASP 3 CO 0.01 -1.18 1.66 0.18 0.52 0.00 0.00 175.17 176.35 2a3x n LEU 4 N 7.64 5.16 -4.67 -1.34 4.32 -0.79 -5.00 117.00 122.32 2a3x n LEU 4 Ca 0.11 -2.87 -0.42 0.00 -0.02 0.00 0.00 56.01 52.81 2a3x n LEU 4 Cb 0.49 -0.63 -0.03 0.00 -1.62 0.00 0.00 43.42 41.62 2a3x n LEU 4 CO 0.69 0.67 1.55 -0.44 -1.22 0.00 0.00 177.39 178.64 2a3x s SER 5 N -1.07 6.44 -0.65 -1.43 0.01 -1.26 -1.79 113.70 113.95 2a3x s SER 5 Ca 0.51 2.70 -0.01 0.00 1.31 0.00 0.00 55.95 60.47 2a3x s SER 5 Cb 0.38 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 64.07 2a3x s SER 5 CO 0.16 -1.04 0.07 0.61 0.41 0.00 0.00 173.24 173.45 2a3x n GLY 6 N 4.43 0.10 3.05 3.44 0.00 -1.26 -5.02 105.19 109.93 2a3x n GLY 6 Ca 0.19 -0.52 -0.10 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 -4.58 0.50 0.14 1.61 1.02 -0.74 -2.17 119.74 115.53 2a3x s LYS 7 Ca 0.04 -0.90 0.06 0.00 0.02 0.00 0.00 55.97 55.19 2a3x s LYS 7 Cb -0.02 0.01 -0.04 0.00 -0.52 0.00 0.00 37.83 37.27 2a3x s LYS 7 CO 0.05 -0.04 -0.14 0.14 -0.92 0.00 0.00 175.35 174.43 2a3x s VAL 8 N -2.38 1.44 -0.09 3.17 -7.23 0.22 -4.52 120.40 111.01 2a3x s VAL 8 Ca -0.05 -1.85 -0.28 0.00 -1.81 0.00 0.00 61.98 57.98 2a3x s VAL 8 Cb -0.03 -1.68 -0.02 0.00 0.56 0.00 0.00 36.38 35.21 2a3x s VAL 8 CO -0.04 -0.46 0.95 -0.36 -0.31 0.00 0.00 175.10 174.88 2a3x s PHE 9 N -2.37 3.53 -0.18 2.82 0.08 0.34 -2.70 117.98 119.50 2a3x s PHE 9 Ca 0.13 1.53 -0.03 0.00 0.12 0.00 0.00 56.93 58.68 2a3x s PHE 9 Cb -0.04 -3.12 -0.01 0.00 -0.57 0.00 0.00 43.02 39.28 2a3x s PHE 9 CO 0.04 -0.16 -0.07 0.54 -0.10 0.00 0.00 175.22 175.47 2a3x s VAL 10 N 1.74 3.40 -0.70 -0.44 0.11 -0.41 -1.19 120.40 122.91 2a3x s VAL 10 Ca 0.46 -0.51 -0.09 0.00 -2.93 0.00 0.00 61.98 58.91 2a3x s VAL 10 Cb -0.18 -2.50 0.18 0.00 -1.53 0.00 0.00 36.38 32.35 2a3x s VAL 10 CO 0.19 0.47 0.59 -0.36 -3.33 0.00 0.00 175.10 172.65 2a3x s PHE 11 N 0.89 3.57 -0.70 1.54 0.40 0.14 -2.53 117.98 121.28 2a3x s PHE 11 Ca -0.01 -2.25 0.26 0.00 -0.60 0.00 0.00 56.93 54.33 2a3x s PHE 11 Cb -0.15 -3.54 0.73 0.00 0.51 0.00 0.00 43.02 40.57 2a3x s PHE 11 CO 0.01 -0.93 1.71 -1.35 0.70 0.00 0.00 175.22 175.36 2a3x h PRO 12 N 7.59 0.00 -4.72 0.24 0.11 -1.80 -0.79 132.00 132.62 2a3x h PRO 12 Ca 0.01 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.86 2a3x h PRO 12 Cb 1.01 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 31.95 2a3x h PRO 12 CO 0.76 0.00 -0.71 -0.98 -0.21 0.00 0.00 178.00 176.86 2a3x s ARG 13 N -3.12 0.79 0.04 1.05 1.70 -1.26 -4.94 118.95 113.20 2a3x s ARG 13 Ca 0.10 -1.19 -0.28 0.00 -0.47 0.00 0.00 55.73 53.89 2a3x s ARG 13 Cb 0.12 -0.31 -0.05 0.00 -0.57 0.00 0.00 34.95 34.15 2a3x s ARG 13 CO 0.62 0.02 0.90 -1.83 -1.08 0.00 0.00 175.30 173.92 2a3x s GLU 14 N -3.16 4.58 0.35 3.89 -1.05 -1.26 -4.76 118.70 117.29 2a3x s GLU 14 Ca 0.06 1.29 -0.17 0.00 -0.15 0.00 0.00 54.97 56.01 2a3x s GLU 14 Cb 0.00 -3.41 0.06 0.00 -0.44 0.00 0.00 34.13 30.34 2a3x s GLU 14 CO -0.02 0.12 0.83 -1.54 0.95 0.00 0.00 175.26 175.60 2a3x s SER 15 N 0.42 0.00 0.00 0.83 1.04 -1.26 -5.01 113.70 109.71 2a3x s SER 15 Ca 0.46 -1.06 0.07 0.00 0.48 0.00 0.00 55.95 55.90 2a3x s SER 15 Cb -0.21 0.79 0.19 0.00 0.10 0.00 0.00 66.02 66.89 2a3x s SER 15 CO 0.26 -1.57 1.15 0.55 0.98 0.00 0.00 173.24 174.61 2a3x n VAL 16 N -0.56 0.96 -0.10 5.02 3.14 -1.26 -4.50 118.33 121.02 2a3x n VAL 16 Ca -0.07 -0.98 -0.15 0.00 -2.96 0.00 0.00 64.34 60.17 2a3x n VAL 16 Cb 0.60 0.53 -0.05 0.00 -1.06 0.00 0.00 33.84 33.86 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 0.18 1.45 -2.29 1.55 -1.04 -1.26 -4.86 114.28 108.01 2a3x n THR 17 Ca 0.07 -0.03 -0.43 0.00 -2.04 0.00 0.00 64.05 61.63 2a3x n THR 17 Cb 0.36 -2.12 -0.02 0.00 -1.82 0.00 0.00 70.33 66.72 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 -6.43 6.87 0.20 8.00 1.01 -1.26 -4.56 116.67 120.50 2a3x s ASP 18 Ca -0.30 1.90 -0.10 0.00 0.71 0.00 0.00 52.55 54.76 2a3x s ASP 18 Cb 0.07 -2.54 -0.01 0.00 1.01 0.00 0.00 42.92 41.46 2a3x s ASP 18 CO 0.41 -0.78 0.37 -1.38 0.21 0.00 0.00 175.17 174.00 2a3x s HIS 19 N 3.38 0.41 -0.15 4.23 -3.43 -0.79 -4.46 115.29 114.48 2a3x s HIS 19 Ca 0.61 -0.76 0.02 0.00 -0.80 0.00 0.00 55.06 54.13 2a3x s HIS 19 Cb -0.26 0.03 0.01 0.00 -1.43 0.00 0.00 32.58 30.93 2a3x s HIS 19 CO 0.21 -0.83 -0.21 0.08 -2.00 0.00 0.00 174.74 171.98 2a3x s VAL 20 N -4.00 2.04 -0.08 -5.38 1.01 0.33 -1.39 120.40 112.94 2a3x s VAL 20 Ca 0.21 -0.95 -0.24 0.00 0.00 0.00 0.00 61.98 60.99 2a3x s VAL 20 Cb 0.02 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 2a3x s VAL 20 CO 0.04 0.54 0.75 0.20 0.00 0.00 0.00 175.10 176.63 2a3x s ASN 21 N 1.01 7.01 -0.20 3.32 0.01 0.56 -1.01 114.94 125.64 2a3x s ASN 21 Ca -0.02 1.22 -0.06 0.00 -0.71 0.00 0.00 52.86 53.29 2a3x s ASN 21 Cb -0.14 -2.43 -0.03 0.00 0.41 0.00 0.00 41.25 39.05 2a3x s ASN 21 CO -0.06 -0.18 0.04 -0.76 -1.51 0.00 0.00 177.10 174.63 2a3x s LEU 22 N 1.05 3.54 -0.22 0.60 1.02 0.11 -0.05 118.68 124.72 2a3x s LEU 22 Ca 0.39 -0.08 -0.07 0.00 0.02 0.00 0.00 54.13 54.39 2a3x s LEU 22 Cb -0.18 -1.91 -0.03 0.00 0.02 0.00 0.00 46.19 44.09 2a3x s LEU 22 CO 0.18 0.09 0.06 -0.63 0.02 0.00 0.00 176.35 176.08 2a3x s ILE 23 N 0.85 4.47 -0.03 -0.59 1.01 0.41 -3.96 121.20 123.35 2a3x s ILE 23 Ca 0.03 -0.13 0.06 0.00 0.00 0.00 0.00 60.65 60.60 2a3x s ILE 23 Cb -0.14 -3.06 -0.01 0.00 0.01 0.00 0.00 42.46 39.26 2a3x s ILE 23 CO 0.02 0.38 -0.20 0.28 0.00 0.00 0.00 174.94 175.43 2a3x s THR 24 N 1.13 1.64 -1.87 2.92 -1.32 -1.26 -4.40 115.64 112.48 2a3x s THR 24 Ca 0.04 -0.86 0.07 0.00 -1.21 0.00 0.00 61.69 59.73 2a3x s THR 24 Cb -0.14 -1.38 0.18 0.00 -1.51 0.00 0.00 72.50 69.64 2a3x s THR 24 CO 0.03 0.46 0.91 -0.81 -2.21 0.00 0.00 174.62 173.01 2a3x n PRO 25 N 2.86 0.19 -1.64 7.08 -0.04 -1.26 -4.81 135.00 137.37 2a3x n PRO 25 Ca -0.17 0.05 -0.43 0.00 -0.04 0.00 0.00 63.50 62.91 2a3x n PRO 25 Cb 0.53 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.46 2a3x n PRO 25 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2a3x n LEU 26 N -1.06 3.78 -0.23 1.53 7.94 -1.26 -4.83 117.00 122.86 2a3x n LEU 26 Ca 0.05 0.65 0.08 0.00 -1.11 0.00 0.00 56.01 55.67 2a3x n LEU 26 Cb 0.03 -1.52 0.14 0.00 0.53 0.00 0.00 43.42 42.59 2a3x n LEU 26 CO 0.04 -0.14 0.59 -0.62 -1.11 0.00 0.00 177.39 176.14 2a3x n GLU 27 N 7.94 1.96 -5.06 1.96 1.02 -1.26 -3.55 120.64 123.65 2a3x n GLU 27 Ca 0.24 -2.41 -0.32 0.00 -0.02 0.00 0.00 57.16 54.65 2a3x n GLU 27 Cb 0.41 -1.46 -0.14 0.00 -0.02 0.00 0.00 31.44 30.23 2a3x n GLU 27 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2a3x s LYS 28 N -2.44 2.25 0.32 3.49 -0.14 -1.26 -4.82 119.74 117.13 2a3x s LYS 28 Ca 0.28 -0.85 -0.29 0.00 -1.36 0.00 0.00 55.97 53.75 2a3x s LYS 28 Cb 0.23 -2.19 -0.10 0.00 -1.68 0.00 0.00 37.83 34.09 2a3x s LYS 28 CO 0.04 0.58 1.32 -2.14 -0.76 0.00 0.00 175.35 174.40 2a3x s PRO 29 N -0.77 4.34 -0.58 -1.68 0.02 -1.26 -4.37 135.00 130.70 2a3x s PRO 29 Ca 0.11 2.23 -0.20 0.00 0.02 0.00 0.00 61.00 63.15 2a3x s PRO 29 Cb -0.10 -3.08 0.07 0.00 0.02 0.00 0.00 34.50 31.42 2a3x s PRO 29 CO 0.00 -0.22 0.77 -0.51 -0.33 0.00 0.00 177.00 176.72 2a3x s LEU 30 N -1.62 4.87 -0.10 -5.54 1.02 -0.59 -4.89 118.68 111.84 2a3x s LEU 30 Ca 0.50 -1.05 -0.24 0.00 0.02 0.00 0.00 54.13 53.36 2a3x s LEU 30 Cb -0.40 -2.43 -0.20 0.00 0.02 0.00 0.00 46.19 43.17 2a3x s LEU 30 CO 0.52 -1.14 0.79 -0.61 0.02 0.00 0.00 176.35 175.93 2a3x h GLN 31 N 9.24 -0.04 -6.06 1.70 4.15 -1.89 -3.15 115.11 119.06 2a3x h GLN 31 Ca -0.28 0.00 -0.56 0.00 0.77 0.00 0.00 58.65 58.58 2a3x h GLN 31 Cb 1.08 0.01 -0.24 0.00 0.21 0.00 0.00 27.48 28.55 2a3x h GLN 31 CO 1.08 0.65 -0.83 -0.80 -1.93 0.00 0.00 178.83 177.00 2a3x s ASN 32 N -5.91 2.43 0.15 -0.69 0.01 -1.26 -1.86 114.94 107.82 2a3x s ASN 32 Ca -0.15 -0.60 -0.16 0.00 -0.71 0.00 0.00 52.86 51.24 2a3x s ASN 32 Cb -0.01 -0.16 0.03 0.00 0.41 0.00 0.00 41.25 41.51 2a3x s ASN 32 CO 0.57 0.10 0.44 0.72 -1.51 0.00 0.00 177.10 177.42 2a3x s PHE 33 N -0.99 -0.13 -0.02 2.20 -0.12 -0.92 -3.69 117.98 114.32 2a3x s PHE 33 Ca 0.06 -0.20 0.00 0.00 -0.05 0.00 0.00 56.93 56.74 2a3x s PHE 33 Cb -0.09 0.28 0.02 0.00 -0.63 0.00 0.00 43.02 42.60 2a3x s PHE 33 CO 0.03 -0.78 0.01 0.99 -0.05 0.00 0.00 175.22 175.42 2a3x s THR 34 N -3.84 0.03 -0.09 -4.49 2.01 -0.85 -1.17 115.64 107.24 2a3x s THR 34 Ca 0.06 0.12 0.02 0.00 0.31 0.00 0.00 61.69 62.21 2a3x s THR 34 Cb 0.01 -0.13 0.01 0.00 0.01 0.00 0.00 72.50 72.40 2a3x s THR 34 CO -0.08 0.09 -0.15 -0.22 -0.69 0.00 0.00 174.62 173.58 2a3x s LEU 35 N 0.81 1.70 -0.00 4.42 2.96 0.94 -0.92 118.68 128.60 2a3x s LEU 35 Ca -0.07 -0.39 0.03 0.00 -0.22 0.00 0.00 54.13 53.48 2a3x s LEU 35 Cb -0.10 -1.02 -0.01 0.00 0.50 0.00 0.00 46.19 45.56 2a3x s LEU 35 CO -0.02 0.03 -0.09 0.00 -1.32 0.00 0.00 176.35 174.94 2a3x s PHE 37 N -0.31 -0.34 -0.26 0.00 -0.12 -0.53 0.09 117.98 116.51 2a3x s PHE 37 Ca 0.03 0.13 -0.07 0.00 -0.05 0.00 0.00 56.93 56.97 2a3x s PHE 37 Cb -0.04 0.57 -0.02 0.00 -0.63 0.00 0.00 43.02 42.90 2a3x s PHE 37 CO -0.00 -0.71 0.06 1.03 -0.05 0.00 0.00 175.22 175.55 2a3x s ARG 38 N -3.35 3.50 0.22 1.99 0.52 0.21 -0.95 118.95 121.09 2a3x s ARG 38 Ca 0.06 -0.57 0.09 0.00 -0.52 0.00 0.00 55.73 54.78 2a3x s ARG 38 Cb -0.01 -3.31 -0.04 0.00 0.52 0.00 0.00 34.95 32.11 2a3x s ARG 38 CO -0.07 -0.25 -0.01 0.00 0.02 0.00 0.00 175.30 174.99 2a3x s ALA 39 N 1.58 3.15 -0.28 2.13 0.00 -0.37 -0.55 121.76 127.41 2a3x s ALA 39 Ca 0.06 -1.51 0.01 0.00 0.00 0.00 0.00 51.96 50.52 2a3x s ALA 39 Cb -0.15 -0.86 0.17 0.00 0.00 0.00 0.00 23.12 22.28 2a3x s ALA 39 CO 0.03 0.38 0.50 -0.47 0.00 0.00 0.00 175.76 176.20 2a3x s TYR 40 N -1.99 -1.36 -0.05 0.00 5.04 0.06 -1.17 117.35 117.87 2a3x s TYR 40 Ca 0.29 1.03 -0.05 0.00 -2.44 0.00 0.00 57.07 55.90 2a3x s TYR 40 Cb -0.08 0.21 0.01 0.00 0.35 0.00 0.00 41.96 42.46 2a3x s TYR 40 CO 0.19 -0.92 0.15 0.45 -1.34 0.00 0.00 175.55 174.07 2a3x s SER 41 N 2.71 -0.15 -0.61 4.32 0.15 -1.26 -0.73 113.70 118.13 2a3x s SER 41 Ca 0.14 0.28 0.01 0.00 0.70 0.00 0.00 55.95 57.08 2a3x s SER 41 Cb -0.13 0.30 0.43 0.00 -1.71 0.00 0.00 66.02 64.90 2a3x s SER 41 CO -0.23 -0.06 1.77 -0.90 1.20 0.00 0.00 173.24 175.02 2a3x n ASP 42 N 2.96 6.81 -4.73 5.45 5.68 -1.26 -4.57 116.55 126.88 2a3x n ASP 42 Ca -0.13 -3.79 -0.38 0.00 -0.50 0.00 0.00 54.79 50.00 2a3x n ASP 42 Cb 0.59 -0.82 -0.06 0.00 -1.14 0.00 0.00 41.12 39.69 2a3x n ASP 42 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 2a3x s LEU 43 N -3.81 4.31 0.03 -2.12 1.02 -1.26 -4.97 118.68 111.88 2a3x s LEU 43 Ca 0.58 0.89 -0.15 0.00 0.02 0.00 0.00 54.13 55.47 2a3x s LEU 43 Cb 0.46 -2.74 -0.35 0.00 0.02 0.00 0.00 46.19 43.58 2a3x s LEU 43 CO -0.11 0.03 0.99 0.28 0.02 0.00 0.00 176.35 177.56 2a3x h SER 44 N 6.46 0.82 -3.10 2.29 0.02 -2.01 -3.47 113.55 114.54 2a3x h SER 44 Ca -0.42 -0.89 -0.34 0.00 -0.84 0.00 0.00 61.79 59.29 2a3x h SER 44 Cb 1.19 -0.27 0.17 0.00 0.14 0.00 0.00 62.40 63.63 2a3x h SER 44 CO 0.74 1.70 0.09 -2.11 -1.14 0.00 0.00 176.83 176.11 2a3x n ARG 45 N -3.70 -2.94 -2.94 3.45 1.85 -1.26 -4.64 116.66 106.49 2a3x n ARG 45 Ca -0.17 -1.51 -0.36 0.00 -1.00 0.00 0.00 57.85 54.81 2a3x n ARG 45 Cb 1.10 -1.43 -0.06 0.00 -1.05 0.00 0.00 32.46 31.02 2a3x n ARG 45 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2a3x s ALA 46 N -2.98 3.30 0.23 2.89 0.00 -1.26 -4.76 121.76 119.18 2a3x s ALA 46 Ca 0.62 0.34 -0.13 0.00 0.00 0.00 0.00 51.96 52.79 2a3x s ALA 46 Cb -0.06 -3.01 -0.00 0.00 0.00 0.00 0.00 23.12 20.05 2a3x s ALA 46 CO 0.47 0.25 0.45 1.52 0.00 0.00 0.00 175.76 178.45 2a3x s TYR 47 N -1.61 0.32 -0.13 0.00 -0.85 -0.46 -4.44 117.35 110.18 2a3x s TYR 47 Ca 0.47 -0.67 -0.05 0.00 -0.52 0.00 0.00 57.07 56.30 2a3x s TYR 47 Cb -0.17 0.17 -0.04 0.00 0.38 0.00 0.00 41.96 42.31 2a3x s TYR 47 CO 0.22 -0.94 0.05 0.45 -1.52 0.00 0.00 175.55 173.80 2a3x s SER 48 N -2.99 5.59 -0.17 -0.18 0.15 -1.07 -0.42 113.70 114.61 2a3x s SER 48 Ca 0.20 0.18 0.00 0.00 0.70 0.00 0.00 55.95 57.03 2a3x s SER 48 Cb -0.00 -1.78 -0.22 0.00 -1.71 0.00 0.00 66.02 62.31 2a3x s SER 48 CO 0.06 0.31 0.14 0.18 1.20 0.00 0.00 173.24 175.13 2a3x n LEU 49 N 2.64 2.43 -3.26 3.45 7.99 0.55 -4.47 117.00 126.33 2a3x n LEU 49 Ca -0.18 0.08 -0.04 0.00 -0.01 0.00 0.00 56.01 55.86 2a3x n LEU 49 Cb 0.53 -0.81 -0.05 0.00 -0.11 0.00 0.00 43.42 42.99 2a3x n LEU 49 CO 0.31 0.82 0.03 0.12 -1.51 0.00 0.00 177.39 177.16 2a3x s PHE 50 N -2.54 -1.22 -0.29 -1.77 5.36 -1.17 -4.69 117.98 111.66 2a3x s PHE 50 Ca -0.25 1.04 -0.08 0.00 -0.96 0.00 0.00 56.93 56.68 2a3x s PHE 50 Cb 0.08 0.19 -0.01 0.00 -0.34 0.00 0.00 43.02 42.94 2a3x s PHE 50 CO 0.71 -0.86 0.11 0.45 -1.46 0.00 0.00 175.22 174.18 2a3x s SER 51 N 2.67 5.33 -0.32 6.13 0.15 -0.92 -2.03 113.70 124.72 2a3x s SER 51 Ca 0.14 -0.50 0.02 0.00 0.70 0.00 0.00 55.95 56.32 2a3x s SER 51 Cb -0.14 -1.95 0.10 0.00 -1.71 0.00 0.00 66.02 62.32 2a3x s SER 51 CO -0.21 -0.16 0.05 -0.47 1.20 0.00 0.00 173.24 173.66 2a3x s TYR 52 N 1.58 3.01 0.00 3.44 6.14 -0.42 -1.50 117.35 129.61 2a3x s TYR 52 Ca 0.04 -2.51 0.08 0.00 0.64 0.00 0.00 57.07 55.33 2a3x s TYR 52 Cb -0.17 -2.43 -0.02 0.00 0.42 0.00 0.00 41.96 39.76 2a3x s TYR 52 CO 0.05 -0.91 -0.26 -0.80 0.64 0.00 0.00 175.55 174.26 2a3x s ASN 53 N 1.16 3.07 0.17 4.32 -0.87 -1.09 -1.49 114.94 120.22 2a3x s ASN 53 Ca 0.09 -0.51 0.09 0.00 -1.57 0.00 0.00 52.86 50.97 2a3x s ASN 53 Cb -0.18 -0.32 -0.04 0.00 -0.02 0.00 0.00 41.25 40.68 2a3x s ASN 53 CO -0.13 0.30 -0.20 0.42 -2.57 0.00 0.00 177.10 174.92 2a3x s THR 54 N -0.67 1.95 0.00 1.60 -4.23 -1.12 -0.76 115.64 112.41 2a3x s THR 54 Ca 0.10 -1.94 0.00 0.00 -1.18 0.00 0.00 61.69 58.68 2a3x s THR 54 Cb -0.10 -1.90 0.00 0.00 1.34 0.00 0.00 72.50 71.84 2a3x s THR 54 CO -0.00 -0.26 0.00 0.00 -0.54 0.00 0.00 174.62 173.82 2a3x n GLN 55 N 0.30 0.00 0.00 3.99 1.13 -1.26 0.33 117.38 121.87 2a3x n GLN 55 Ca -0.13 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.93 2a3x n GLN 55 Cb 0.57 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.92 2a3x n GLN 55 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2a3x n GLY 56 N 0.03 3.03 3.61 1.08 0.00 -1.26 -4.99 105.19 106.69 2a3x n GLY 56 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.15 3.96 0.09 1.61 0.52 0.15 -5.05 118.95 120.08 2a3x s ARG 57 Ca 0.00 -0.33 -0.11 0.00 -0.52 0.00 0.00 55.73 54.77 2a3x s ARG 57 Cb 0.00 -3.43 -0.06 0.00 0.52 0.00 0.00 34.95 31.98 2a3x s ARG 57 CO 0.00 0.05 0.43 0.34 0.02 0.00 0.00 175.30 176.14 2a3x s ASP 58 N 1.04 6.69 -1.40 0.23 2.15 -1.26 -2.78 116.67 121.33 2a3x s ASP 58 Ca 0.06 0.86 -0.06 0.00 0.43 0.00 0.00 52.55 53.85 2a3x s ASP 58 Cb -0.14 -2.21 0.03 0.00 -0.30 0.00 0.00 42.92 40.31 2a3x s ASP 58 CO 0.04 0.17 0.81 0.59 -0.17 0.00 0.00 175.17 176.61 2a3x n ASN 59 N 0.96 -2.61 -0.14 -0.34 3.02 -1.26 -4.09 115.26 110.80 2a3x n ASN 59 Ca -0.08 -0.81 -0.02 0.00 -0.03 0.00 0.00 54.58 53.64 2a3x n ASN 59 Cb 0.52 -3.96 0.20 0.00 -0.61 0.00 0.00 39.78 35.93 2a3x n ASN 59 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 2a3x h GLU 60 N -1.97 0.85 -2.60 3.52 4.57 -1.59 -1.41 114.58 115.94 2a3x h GLU 60 Ca -0.60 -0.15 -0.12 0.00 -1.18 0.00 0.00 59.36 57.31 2a3x h GLU 60 Cb 1.37 -0.14 -0.28 0.00 -0.16 0.00 0.00 28.75 29.54 2a3x h GLU 60 CO 0.61 0.73 -0.37 -1.17 -1.18 0.00 0.00 179.01 177.63 2a3x s LEU 61 N -9.41 -0.43 -0.09 1.64 2.96 -0.56 0.11 118.68 112.90 2a3x s LEU 61 Ca -0.10 0.91 -0.08 0.00 -0.22 0.00 0.00 54.13 54.64 2a3x s LEU 61 Cb 0.16 1.26 0.03 0.00 0.50 0.00 0.00 46.19 48.14 2a3x s LEU 61 CO 0.80 -0.22 0.24 -0.22 -1.32 0.00 0.00 176.35 175.62 2a3x s LEU 62 N 2.24 0.98 -0.31 -0.68 2.96 0.38 -1.30 118.68 122.95 2a3x s LEU 62 Ca -0.04 0.48 -0.01 0.00 -0.22 0.00 0.00 54.13 54.35 2a3x s LEU 62 Cb -0.11 0.79 0.06 0.00 0.50 0.00 0.00 46.19 47.43 2a3x s LEU 62 CO -0.12 -0.10 0.00 -0.69 -1.32 0.00 0.00 176.35 174.12 2a3x s VAL 63 N 0.32 2.84 -0.06 1.68 1.01 -0.86 0.49 120.40 125.82 2a3x s VAL 63 Ca -0.02 -1.54 0.04 0.00 0.00 0.00 0.00 61.98 60.47 2a3x s VAL 63 Cb -0.03 -2.69 -0.00 0.00 0.00 0.00 0.00 36.38 33.65 2a3x s VAL 63 CO -0.01 -0.17 -0.19 -0.47 0.00 0.00 0.00 175.10 174.25 2a3x s TYR 64 N 1.20 2.00 -0.49 5.22 5.04 -0.73 -0.33 117.35 129.26 2a3x s TYR 64 Ca -0.04 -0.67 -0.16 0.00 -2.44 0.00 0.00 57.07 53.76 2a3x s TYR 64 Cb -0.20 -1.35 0.08 0.00 0.35 0.00 0.00 41.96 40.84 2a3x s TYR 64 CO -0.02 -0.25 0.44 0.21 -1.34 0.00 0.00 175.55 174.58 2a3x s LYS 65 N 0.18 3.00 0.07 4.97 2.47 0.44 -0.72 119.74 130.14 2a3x s LYS 65 Ca -0.09 -1.36 -0.15 0.00 -1.56 0.00 0.00 55.97 52.81 2a3x s LYS 65 Cb -0.14 -4.15 -0.19 0.00 -1.46 0.00 0.00 37.83 31.89 2a3x s LYS 65 CO 0.04 -1.10 1.24 0.93 0.16 0.00 0.00 175.35 176.62 2a3x h GLU 66 N 8.80 0.65 0.00 4.03 4.39 -1.72 -1.23 114.58 129.50 2a3x h GLU 66 Ca -0.29 -0.57 0.02 0.00 0.34 0.00 0.00 59.36 58.87 2a3x h GLU 66 Cb 1.11 0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.89 2a3x h GLU 66 CO 0.91 1.19 0.20 2.89 -1.16 0.00 0.00 179.01 183.04 2a3x n ARG 67 N -4.05 0.46 -1.89 2.33 1.85 -1.26 -4.01 116.66 110.10 2a3x n ARG 67 Ca -0.09 -0.95 -0.42 0.00 -1.00 0.00 0.00 57.85 55.40 2a3x n ARG 67 Cb 0.71 1.22 -0.03 0.00 -1.05 0.00 0.00 32.46 33.31 2a3x n ARG 67 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2a3x s VAL 68 N -2.45 3.27 0.00 8.89 1.01 -1.26 -2.24 120.40 127.61 2a3x s VAL 68 Ca 0.09 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.52 2a3x s VAL 68 Cb -0.02 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 33.07 2a3x s VAL 68 CO 0.05 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.73 2a3x n GLY 69 N 4.22 0.72 2.81 4.51 0.00 -1.26 -5.01 105.19 111.18 2a3x n GLY 69 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 2a3x n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2a3x s GLU 70 N -0.62 1.22 -0.29 1.61 2.02 -0.95 -0.78 118.70 120.92 2a3x s GLU 70 Ca 0.00 -1.75 -0.13 0.00 0.02 0.00 0.00 54.97 53.11 2a3x s GLU 70 Cb 0.00 -2.52 -0.04 0.00 0.10 0.00 0.00 34.13 31.67 2a3x s GLU 70 CO 0.00 -1.05 0.26 0.71 0.02 0.00 0.00 175.26 175.20 2a3x s TYR 71 N 0.80 3.23 0.06 1.61 1.51 -1.05 -2.33 117.35 121.17 2a3x s TYR 71 Ca 0.14 0.13 0.02 0.00 -1.01 0.00 0.00 57.07 56.34 2a3x s TYR 71 Cb -0.21 -2.47 -0.04 0.00 -0.11 0.00 0.00 41.96 39.13 2a3x s TYR 71 CO -0.10 -0.24 0.10 -1.12 -1.11 0.00 0.00 175.55 173.09 2a3x s SER 72 N 1.72 5.71 -0.07 2.29 0.01 0.10 -1.87 113.70 121.59 2a3x s SER 72 Ca 0.09 0.08 0.04 0.00 1.31 0.00 0.00 55.95 57.47 2a3x s SER 72 Cb -0.16 -1.60 0.00 0.00 0.21 0.00 0.00 66.02 64.47 2a3x s SER 72 CO 0.11 0.20 -0.19 -0.22 0.41 0.00 0.00 173.24 173.54 2a3x s LEU 73 N -2.25 1.92 -0.18 2.44 2.96 0.67 -1.78 118.68 122.46 2a3x s LEU 73 Ca 0.29 -0.43 -0.04 0.00 -0.22 0.00 0.00 54.13 53.72 2a3x s LEU 73 Cb -0.12 -1.14 -0.02 0.00 0.50 0.00 0.00 46.19 45.41 2a3x s LEU 73 CO 0.21 0.14 -0.02 -0.31 -1.32 0.00 0.00 176.35 175.04 2a3x s TYR 74 N 0.28 3.02 -0.19 5.38 1.51 0.18 -1.34 117.35 126.19 2a3x s TYR 74 Ca -0.12 -0.44 0.01 0.00 -1.01 0.00 0.00 57.07 55.51 2a3x s TYR 74 Cb -0.15 -2.03 0.03 0.00 -0.11 0.00 0.00 41.96 39.70 2a3x s TYR 74 CO 0.05 -0.18 -0.16 0.42 -1.11 0.00 0.00 175.55 174.57 2a3x s ILE 75 N 0.77 1.92 -1.48 2.71 -1.09 -0.42 -0.47 121.20 123.14 2a3x s ILE 75 Ca -0.01 -1.02 -0.06 0.00 -2.23 0.00 0.00 60.65 57.34 2a3x s ILE 75 Cb -0.14 -1.84 0.04 0.00 -1.58 0.00 0.00 42.46 38.94 2a3x s ILE 75 CO 0.02 0.36 0.58 0.61 -1.23 0.00 0.00 174.94 175.28 2a3x n GLY 76 N 4.63 -0.30 2.63 6.18 0.00 0.30 -1.27 105.19 117.35 2a3x n GLY 76 Ca -0.18 0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -4.42 0.00 -2.82 1.61 1.74 -0.54 -4.93 116.66 107.30 2a3x n ARG 77 Ca -0.19 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.60 2a3x n ARG 77 Cb 0.63 -0.78 -0.02 0.00 -1.02 0.00 0.00 32.46 31.26 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 -1.86 3.51 -0.01 -1.55 3.76 -0.40 -5.06 115.29 113.67 2a3x s HIS 78 Ca 0.00 0.92 0.05 0.00 -0.15 0.00 0.00 55.06 55.88 2a3x s HIS 78 Cb 0.00 -2.36 -0.01 0.00 1.11 0.00 0.00 32.58 31.32 2a3x s HIS 78 CO 0.00 -0.14 -0.16 0.21 -0.85 0.00 0.00 174.74 173.80 2a3x s LYS 79 N -4.15 1.28 0.00 1.40 2.20 -1.26 -1.31 119.74 117.91 2a3x s LYS 79 Ca 0.49 -0.55 0.02 0.00 -0.36 0.00 0.00 55.97 55.56 2a3x s LYS 79 Cb -0.10 -1.23 -0.01 0.00 -1.51 0.00 0.00 37.83 34.98 2a3x s LYS 79 CO 0.36 0.33 -0.06 0.14 -0.36 0.00 0.00 175.35 175.76 2a3x s VAL 80 N -0.34 0.45 -0.07 4.02 -7.23 -0.45 -4.98 120.40 111.80 2a3x s VAL 80 Ca 0.05 -0.38 -0.02 0.00 -1.81 0.00 0.00 61.98 59.83 2a3x s VAL 80 Cb -0.06 -0.41 0.03 0.00 0.56 0.00 0.00 36.38 36.50 2a3x s VAL 80 CO -0.00 0.04 0.01 -0.89 -0.31 0.00 0.00 175.10 173.95 2a3x s THR 81 N -0.34 0.30 -0.08 5.32 2.01 -1.26 -0.24 115.64 121.36 2a3x s THR 81 Ca 0.00 0.14 0.04 0.00 0.31 0.00 0.00 61.69 62.18 2a3x s THR 81 Cb -0.03 -0.49 -0.01 0.00 0.01 0.00 0.00 72.50 71.97 2a3x s THR 81 CO -0.00 0.22 -0.20 -0.44 -0.69 0.00 0.00 174.62 173.51 2a3x s SER 82 N 2.00 3.48 0.28 3.53 0.01 -0.78 -4.98 113.70 117.24 2a3x s SER 82 Ca 0.05 -0.41 -0.03 0.00 1.31 0.00 0.00 55.95 56.87 2a3x s SER 82 Cb -0.12 -1.08 -0.05 0.00 0.21 0.00 0.00 66.02 64.98 2a3x s SER 82 CO -0.05 0.24 0.52 -0.54 0.41 0.00 0.00 173.24 173.82 2a3x s LYS 83 N -0.11 3.58 -0.08 12.44 1.02 -1.26 -2.53 119.74 132.80 2a3x s LYS 83 Ca -0.04 -0.14 -0.23 0.00 0.02 0.00 0.00 55.97 55.58 2a3x s LYS 83 Cb -0.14 -2.69 0.05 0.00 -0.52 0.00 0.00 37.83 34.53 2a3x s LYS 83 CO 0.04 0.24 0.53 0.54 -0.92 0.00 0.00 175.35 175.78 2a3x s VAL 84 N -2.09 0.02 -0.12 3.17 0.11 0.04 -4.75 120.40 116.78 2a3x s VAL 84 Ca 0.42 -0.15 -0.30 0.00 -2.93 0.00 0.00 61.98 59.02 2a3x s VAL 84 Cb -0.11 -0.82 -0.02 0.00 -1.53 0.00 0.00 36.38 33.90 2a3x s VAL 84 CO 0.31 -0.08 1.18 -0.63 -3.33 0.00 0.00 175.10 172.55 2a3x s ILE 85 N -0.86 4.38 0.06 7.04 1.01 -1.26 -4.43 121.20 127.13 2a3x s ILE 85 Ca -0.09 1.68 -0.10 0.00 0.00 0.00 0.00 60.65 62.14 2a3x s ILE 85 Cb -0.03 -4.08 0.00 0.00 0.01 0.00 0.00 42.46 38.37 2a3x s ILE 85 CO 0.06 -0.07 0.21 -1.83 0.00 0.00 0.00 174.94 173.31 2a3x s GLU 86 N 2.73 0.76 0.33 2.79 -1.05 -1.26 -5.08 118.70 117.92 2a3x s GLU 86 Ca 0.53 -0.73 -0.10 0.00 -0.15 0.00 0.00 54.97 54.52 2a3x s GLU 86 Cb -0.22 0.32 -0.07 0.00 -0.44 0.00 0.00 34.13 33.72 2a3x s GLU 86 CO 0.17 -0.23 0.68 0.15 0.95 0.00 0.00 175.26 176.97 2a3x s LYS 87 N -3.04 3.81 -0.01 -4.83 1.02 -1.26 -4.92 119.74 110.52 2a3x s LYS 87 Ca -0.01 0.39 0.01 0.00 0.02 0.00 0.00 55.97 56.37 2a3x s LYS 87 Cb 0.01 -2.50 0.00 0.00 -0.52 0.00 0.00 37.83 34.83 2a3x s LYS 87 CO -0.06 0.13 -0.01 0.12 -0.92 0.00 0.00 175.35 174.60 2a3x s PHE 88 N -2.11 0.19 0.56 3.18 5.36 -1.26 -3.73 117.98 120.17 2a3x s PHE 88 Ca 0.50 -0.02 -0.18 0.00 -0.96 0.00 0.00 56.93 56.27 2a3x s PHE 88 Cb -0.11 -0.16 -0.05 0.00 -0.34 0.00 0.00 43.02 42.36 2a3x s PHE 88 CO 0.26 -0.03 1.09 -1.25 -1.46 0.00 0.00 175.22 173.83 2a3x s PRO 89 N 0.17 3.34 -0.23 10.12 0.04 -1.26 -5.19 135.00 141.98 2a3x s PRO 89 Ca -0.01 1.45 -0.26 0.00 0.04 0.00 0.00 61.00 62.21 2a3x s PRO 89 Cb -0.03 -2.02 0.10 0.00 0.04 0.00 0.00 34.50 32.59 2a3x s PRO 89 CO -0.00 -0.83 0.89 0.00 0.04 0.00 0.00 177.00 177.09 2a3x s ALA 90 N -2.04 -1.88 0.57 8.56 0.00 -1.24 -5.10 121.76 120.62 2a3x s ALA 90 Ca 0.69 1.82 -0.21 0.00 0.00 0.00 0.00 51.96 54.26 2a3x s ALA 90 Cb -0.20 -1.09 -0.04 0.00 0.00 0.00 0.00 23.12 21.79 2a3x s ALA 90 CO 0.30 -0.29 1.32 -2.14 0.00 0.00 0.00 175.76 174.95 2a3x s PRO 91 N -0.08 3.00 0.02 0.00 0.02 -1.26 -4.68 135.00 132.03 2a3x s PRO 91 Ca -0.00 2.14 0.01 0.00 0.02 0.00 0.00 61.00 63.17 2a3x s PRO 91 Cb -0.04 -2.13 -0.01 0.00 0.02 0.00 0.00 34.50 32.34 2a3x s PRO 91 CO -0.01 -1.27 -0.05 0.54 -0.33 0.00 0.00 177.00 175.88 2a3x s VAL 92 N -1.36 0.36 -0.33 3.83 0.11 -0.32 -5.02 120.40 117.67 2a3x s VAL 92 Ca 0.74 -0.60 -0.04 0.00 -2.93 0.00 0.00 61.98 59.15 2a3x s VAL 92 Cb -0.38 -0.38 0.05 0.00 -1.53 0.00 0.00 36.38 34.13 2a3x s VAL 92 CO 0.44 -0.17 0.07 -2.28 -3.33 0.00 0.00 175.10 169.83 2a3x s HIS 93 N -0.75 3.28 -0.16 1.54 2.46 -1.26 -1.23 115.29 119.17 2a3x s HIS 93 Ca -0.05 -1.67 -0.11 0.00 0.47 0.00 0.00 55.06 53.69 2a3x s HIS 93 Cb -0.06 -2.28 -0.05 0.00 -0.13 0.00 0.00 32.58 30.06 2a3x s HIS 93 CO -0.00 -0.78 0.21 0.42 -2.47 0.00 0.00 174.74 172.12 2a3x s ILE 94 N 1.33 5.36 -0.02 0.89 1.01 -0.13 -1.46 121.20 128.18 2a3x s ILE 94 Ca -0.02 0.37 0.07 0.00 0.00 0.00 0.00 60.65 61.06 2a3x s ILE 94 Cb -0.20 -3.54 -0.02 0.00 0.01 0.00 0.00 42.46 38.72 2a3x s ILE 94 CO 0.01 0.45 -0.24 0.00 0.00 0.00 0.00 174.94 175.16 2a3x s VAL 96 N -0.49 0.51 0.06 0.00 0.11 0.48 -0.55 120.40 120.52 2a3x s VAL 96 Ca 0.07 -0.01 0.07 0.00 -2.93 0.00 0.00 61.98 59.18 2a3x s VAL 96 Cb -0.10 -0.60 -0.03 0.00 -1.53 0.00 0.00 36.38 34.12 2a3x s VAL 96 CO -0.00 0.26 -0.18 -0.94 -3.33 0.00 0.00 175.10 170.91 2a3x s SER 97 N 1.55 3.82 0.01 3.54 1.04 -0.25 -0.04 113.70 123.37 2a3x s SER 97 Ca -0.01 -0.45 0.02 0.00 0.48 0.00 0.00 55.95 55.99 2a3x s SER 97 Cb -0.13 -0.60 -0.01 0.00 0.10 0.00 0.00 66.02 65.38 2a3x s SER 97 CO -0.04 0.24 -0.06 0.86 0.98 0.00 0.00 173.24 175.22 2a3x s TRP 98 N -0.97 0.55 -0.05 5.02 -0.00 -0.32 -0.65 118.94 122.51 2a3x s TRP 98 Ca 0.15 -0.22 0.06 0.00 -0.00 0.00 0.00 56.10 56.10 2a3x s TRP 98 Cb -0.11 -0.34 -0.01 0.00 -0.00 0.00 0.00 33.47 33.01 2a3x s TRP 98 CO 0.06 -0.03 -0.25 -2.00 -0.00 0.00 0.00 176.95 174.73 2a3x s GLU 99 N -0.60 2.40 -0.08 5.86 2.12 -0.79 -2.16 118.70 125.45 2a3x s GLU 99 Ca -0.02 -0.90 -0.26 0.00 0.36 0.00 0.00 54.97 54.16 2a3x s GLU 99 Cb -0.05 -2.10 -0.25 0.00 0.26 0.00 0.00 34.13 31.99 2a3x s GLU 99 CO 0.00 0.42 0.94 1.03 -0.54 0.00 0.00 175.26 177.10 2a3x h SER 100 N 5.93 0.17 0.13 -1.70 0.87 -1.66 -1.63 113.55 115.65 2a3x h SER 100 Ca -0.35 -0.86 -0.02 0.00 -1.23 0.00 0.00 61.79 59.34 2a3x h SER 100 Cb 1.16 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 63.07 2a3x h SER 100 CO 0.47 1.01 -0.08 0.77 -0.53 0.00 0.00 176.83 178.47 2a3x h SER 101 N -0.65 0.00 0.00 6.23 4.64 -1.90 0.21 113.55 122.09 2a3x h SER 101 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2a3x h SER 101 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2a3x h SER 101 CO 0.04 0.08 -1.18 -1.54 -0.87 0.00 0.00 176.83 173.36 2a3x n SER 102 N -4.13 2.53 0.00 4.97 3.41 -1.26 -4.62 113.62 114.52 2a3x n SER 102 Ca -0.03 -0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 2a3x n SER 102 Cb 0.17 1.31 0.00 0.00 -0.26 0.00 0.00 64.21 65.42 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 1.85 0.95 3.68 5.00 0.00 -0.62 -4.81 105.19 111.25 2a3x n GLY 103 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.45 3.20 -0.13 -0.61 -1.09 -1.21 -0.51 121.20 117.40 2a3x s ILE 104 Ca 0.00 0.59 -0.08 0.00 -2.23 0.00 0.00 60.65 58.93 2a3x s ILE 104 Cb 0.00 -3.38 -0.04 0.00 -1.58 0.00 0.00 42.46 37.46 2a3x s ILE 104 CO 0.00 -0.01 0.15 0.00 -1.23 0.00 0.00 174.94 173.85 2a3x s ALA 105 N 2.81 3.84 -0.21 9.38 0.00 0.31 -1.88 121.76 136.01 2a3x s ALA 105 Ca 0.73 -0.63 -0.01 0.00 0.00 0.00 0.00 51.96 52.04 2a3x s ALA 105 Cb -0.38 -2.02 0.06 0.00 0.00 0.00 0.00 23.12 20.78 2a3x s ALA 105 CO 0.31 0.53 0.01 -2.00 0.00 0.00 0.00 175.76 174.61 2a3x s GLU 106 N -0.79 1.00 -0.16 0.00 2.12 0.17 -2.53 118.70 118.51 2a3x s GLU 106 Ca 0.14 -0.65 -0.11 0.00 0.36 0.00 0.00 54.97 54.72 2a3x s GLU 106 Cb -0.12 -2.29 -0.05 0.00 0.26 0.00 0.00 34.13 31.94 2a3x s GLU 106 CO 0.03 -0.64 0.19 -0.06 -0.54 0.00 0.00 175.26 174.25 2a3x s PHE 107 N 1.68 3.48 -0.15 5.30 0.08 -1.26 -1.09 117.98 126.02 2a3x s PHE 107 Ca -0.02 0.47 0.00 0.00 0.12 0.00 0.00 56.93 57.50 2a3x s PHE 107 Cb -0.18 -2.17 0.02 0.00 -0.57 0.00 0.00 43.02 40.13 2a3x s PHE 107 CO -0.08 0.39 -0.12 -1.58 -0.10 0.00 0.00 175.22 173.72 2a3x s TRP 108 N 0.03 2.06 -0.22 0.36 0.52 0.29 -0.22 118.94 121.76 2a3x s TRP 108 Ca 0.12 -1.16 -0.04 0.00 0.02 0.00 0.00 56.10 55.04 2a3x s TRP 108 Cb -0.12 -1.53 -0.01 0.00 -1.15 0.00 0.00 33.47 30.66 2a3x s TRP 108 CO 0.02 -0.65 -0.05 0.42 0.02 0.00 0.00 176.95 176.71 2a3x s ILE 109 N 1.52 3.33 -1.47 2.03 -1.09 0.34 -1.19 121.20 124.67 2a3x s ILE 109 Ca 0.04 -0.52 -0.14 0.00 -2.23 0.00 0.00 60.65 57.81 2a3x s ILE 109 Cb -0.13 -2.52 0.11 0.00 -1.58 0.00 0.00 42.46 38.34 2a3x s ILE 109 CO -0.10 0.42 0.68 0.59 -1.23 0.00 0.00 174.94 175.30 2a3x n ASN 110 N 4.79 -3.74 0.00 3.58 3.02 -0.53 -0.56 115.26 121.82 2a3x n ASN 110 Ca -0.18 -0.68 0.00 0.00 -0.03 0.00 0.00 54.58 53.69 2a3x n ASN 110 Cb 0.51 -3.06 0.00 0.00 -0.61 0.00 0.00 39.78 36.62 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 -1.33 0.66 3.48 7.41 0.00 -1.26 -5.02 105.19 109.13 2a3x n GLY 111 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.37 3.50 0.08 2.61 2.01 0.28 -4.95 115.64 116.79 2a3x s THR 112 Ca 0.00 -0.52 -0.30 0.00 0.31 0.00 0.00 61.69 61.18 2a3x s THR 112 Cb 0.00 -2.47 -0.05 0.00 0.01 0.00 0.00 72.50 69.99 2a3x s THR 112 CO 0.00 0.54 0.99 -2.16 -0.69 0.00 0.00 174.62 173.30 2a3x s PRO 113 N -0.08 4.63 0.49 4.92 0.04 -1.26 -0.51 135.00 143.24 2a3x s PRO 113 Ca -0.00 1.48 0.01 0.00 0.04 0.00 0.00 61.00 62.53 2a3x s PRO 113 Cb -0.13 -3.39 0.01 0.00 0.04 0.00 0.00 34.50 31.02 2a3x s PRO 113 CO 0.03 0.10 0.71 -0.51 0.04 0.00 0.00 177.00 177.37 2a3x s LEU 114 N 0.34 3.49 0.22 -3.56 1.43 0.69 -4.94 118.68 116.35 2a3x s LEU 114 Ca 0.49 0.12 -0.32 0.00 -1.03 0.00 0.00 54.13 53.39 2a3x s LEU 114 Cb -0.23 -3.00 -0.13 0.00 0.03 0.00 0.00 46.19 42.86 2a3x s LEU 114 CO 0.30 -0.89 1.61 0.52 0.23 0.00 0.00 176.35 178.11 2a3x n VAL 115 N -2.18 0.37 -2.40 -1.59 0.31 -1.26 -4.61 118.33 106.98 2a3x n VAL 115 Ca 0.04 -0.09 -0.40 0.00 -0.01 0.00 0.00 64.34 63.88 2a3x n VAL 115 Cb 0.59 -1.77 -0.04 0.00 -0.91 0.00 0.00 33.84 31.71 2a3x n VAL 115 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2a3x s LYS 116 N 0.49 4.51 0.30 5.55 1.02 -1.26 -4.69 119.74 125.66 2a3x s LYS 116 Ca 0.73 1.86 0.04 0.00 0.02 0.00 0.00 55.97 58.61 2a3x s LYS 116 Cb -0.58 -3.08 -0.06 0.00 -0.52 0.00 0.00 37.83 33.59 2a3x s LYS 116 CO 0.40 0.07 0.04 0.15 -0.92 0.00 0.00 175.35 175.09 2a3x s LYS 117 N -1.65 1.58 0.02 1.68 -0.14 -1.05 -4.99 119.74 115.18 2a3x s LYS 117 Ca 0.47 -1.86 0.03 0.00 -1.36 0.00 0.00 55.97 53.26 2a3x s LYS 117 Cb -0.33 -0.84 -0.02 0.00 -1.68 0.00 0.00 37.83 34.97 2a3x s LYS 117 CO 0.42 -0.15 -0.11 0.20 -0.76 0.00 0.00 175.35 174.95 2a3x s GLY 118 N -3.45 0.58 -0.17 -3.33 0.00 -1.26 0.11 107.32 99.80 2a3x s GLY 118 Ca 0.35 -0.61 -0.28 0.00 0.00 0.00 0.00 44.72 44.18 2a3x s GLY 118 CO 0.14 -0.59 0.72 0.48 0.00 0.00 0.00 173.10 173.85 2a3x s LEU 119 N -0.80 -0.69 -1.24 0.66 2.34 0.33 -4.94 118.68 114.33 2a3x s LEU 119 Ca 0.00 1.09 -0.09 0.00 0.06 0.00 0.00 54.13 55.19 2a3x s LEU 119 Cb -0.06 2.47 -0.01 0.00 -0.56 0.00 0.00 46.19 48.03 2a3x s LEU 119 CO 0.00 -0.41 0.68 0.54 -1.06 0.00 0.00 176.35 176.10 2a3x n ARG 120 N 1.84 -2.75 -2.00 1.48 1.74 -1.26 -4.54 116.66 111.17 2a3x n ARG 120 Ca -0.16 0.51 -0.42 0.00 -0.77 0.00 0.00 57.85 57.01 2a3x n ARG 120 Cb 0.56 -4.59 -0.03 0.00 -1.02 0.00 0.00 32.46 27.38 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 -6.04 4.24 -0.45 5.56 0.74 -1.26 -2.78 119.66 119.68 2a3x s GLN 121 Ca 0.23 2.27 -0.02 0.00 0.05 0.00 0.00 55.36 57.89 2a3x s GLN 121 Cb -0.08 -3.27 0.00 0.00 1.10 0.00 0.00 33.01 30.77 2a3x s GLN 121 CO 0.85 -0.59 0.39 0.41 -0.55 0.00 0.00 175.29 175.80 2a3x n GLY 122 N 3.73 0.40 3.36 2.59 0.00 0.73 -4.97 105.19 111.02 2a3x n GLY 122 Ca 0.14 -0.35 -0.18 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.11 1.67 -0.02 1.61 5.04 -1.12 -5.07 117.35 116.36 2a3x s TYR 123 Ca 0.16 -0.88 0.00 0.00 -2.44 0.00 0.00 57.07 53.91 2a3x s TYR 123 Cb -0.07 -0.97 0.02 0.00 0.35 0.00 0.00 41.96 41.28 2a3x s TYR 123 CO 0.25 0.02 0.01 -0.06 -1.34 0.00 0.00 175.55 174.43 2a3x s PHE 124 N -3.33 0.13 0.26 4.97 0.40 -1.26 -4.72 117.98 114.42 2a3x s PHE 124 Ca 0.29 0.04 -0.30 0.00 -0.60 0.00 0.00 56.93 56.37 2a3x s PHE 124 Cb 0.06 -0.22 -0.09 0.00 0.51 0.00 0.00 43.02 43.27 2a3x s PHE 124 CO 0.10 -0.07 1.15 0.14 0.70 0.00 0.00 175.22 177.24 2a3x s VAL 125 N 0.67 3.44 0.70 -0.44 -7.23 -1.19 -4.84 120.40 111.50 2a3x s VAL 125 Ca -0.06 1.37 -0.12 0.00 -1.81 0.00 0.00 61.98 61.36 2a3x s VAL 125 Cb -0.09 -3.87 0.01 0.00 0.56 0.00 0.00 36.38 32.99 2a3x s VAL 125 CO -0.02 0.30 1.08 -1.61 -0.31 0.00 0.00 175.10 174.54 2a3x s GLU 126 N -1.12 2.75 0.69 4.82 0.41 -1.26 -1.54 118.70 123.46 2a3x s GLU 126 Ca 0.47 1.15 -0.10 0.00 -0.41 0.00 0.00 54.97 56.08 2a3x s GLU 126 Cb -0.33 -1.96 0.16 0.00 -1.78 0.00 0.00 34.13 30.22 2a3x s GLU 126 CO 0.41 -1.26 0.94 0.00 -0.49 0.00 0.00 175.26 174.86 2a3x n ALA 127 N -2.93 -0.94 -3.83 5.21 0.00 -1.26 -4.65 120.51 112.12 2a3x n ALA 127 Ca 0.09 -1.29 -0.35 0.00 0.00 0.00 0.00 53.44 51.89 2a3x n ALA 127 Cb 0.53 -0.02 0.03 0.00 0.00 0.00 0.00 19.45 19.99 2a3x n ALA 127 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2a3x n GLN 128 N -2.96 -1.17 -3.15 0.00 6.02 -1.23 -4.79 117.38 110.10 2a3x n GLN 128 Ca 0.12 0.34 -0.22 0.00 -0.01 0.00 0.00 57.00 57.23 2a3x n GLN 128 Cb 0.42 -3.72 0.00 0.00 1.02 0.00 0.00 30.24 27.97 2a3x n GLN 128 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2a3x s PRO 129 N -6.47 3.16 -0.30 -1.09 0.04 -1.26 -4.51 135.00 124.57 2a3x s PRO 129 Ca 0.42 -0.55 -0.08 0.00 0.04 0.00 0.00 61.00 60.84 2a3x s PRO 129 Cb -0.18 -2.62 0.00 0.00 0.04 0.00 0.00 34.50 31.74 2a3x s PRO 129 CO 0.90 -0.13 0.11 0.21 0.04 0.00 0.00 177.00 178.12 2a3x s LYS 130 N -4.44 3.20 -0.27 4.56 2.47 0.06 -4.90 119.74 120.41 2a3x s LYS 130 Ca 0.46 -0.80 -0.06 0.00 -1.56 0.00 0.00 55.97 54.01 2a3x s LYS 130 Cb -0.10 -3.44 0.00 0.00 -1.46 0.00 0.00 37.83 32.84 2a3x s LYS 130 CO 0.36 -0.43 0.05 0.42 0.16 0.00 0.00 175.35 175.92 2a3x s ILE 131 N 1.54 3.82 0.06 5.43 1.01 -1.25 -2.67 121.20 129.13 2a3x s ILE 131 Ca 0.03 -0.64 0.09 0.00 0.00 0.00 0.00 60.65 60.13 2a3x s ILE 131 Cb -0.17 -2.91 -0.03 0.00 0.01 0.00 0.00 42.46 39.35 2a3x s ILE 131 CO 0.04 0.17 -0.23 0.68 0.00 0.00 0.00 174.94 175.60 2a3x s VAL 132 N 1.49 2.43 -0.07 2.92 -7.23 -0.56 0.05 120.40 119.43 2a3x s VAL 132 Ca 0.03 -1.36 0.05 0.00 -1.81 0.00 0.00 61.98 58.90 2a3x s VAL 132 Cb -0.16 -2.00 -0.01 0.00 0.56 0.00 0.00 36.38 34.77 2a3x s VAL 132 CO 0.01 0.32 -0.25 -0.76 -0.31 0.00 0.00 175.10 174.11 2a3x s LEU 133 N -1.44 2.07 0.00 1.32 1.02 -0.18 -2.17 118.68 119.30 2a3x s LEU 133 Ca 0.13 -0.53 0.00 0.00 0.02 0.00 0.00 54.13 53.76 2a3x s LEU 133 Cb -0.10 -1.38 0.00 0.00 0.02 0.00 0.00 46.19 44.73 2a3x s LEU 133 CO 0.04 0.22 0.00 0.61 0.02 0.00 0.00 176.35 177.24 2a3x n GLY 134 N 3.12 2.24 3.27 -3.19 0.00 -1.26 -0.51 105.19 108.86 2a3x n GLY 134 Ca -0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.51 1.04 -0.12 1.61 -1.52 -1.26 -1.55 119.66 117.34 2a3x s GLN 135 Ca 0.00 -1.17 -0.04 0.00 -1.95 0.00 0.00 55.36 52.21 2a3x s GLN 135 Cb 0.00 0.34 -0.03 0.00 -0.22 0.00 0.00 33.01 33.10 2a3x s GLN 135 CO 0.00 -0.35 0.01 -2.00 -0.25 0.00 0.00 175.29 172.70 2a3x s GLU 136 N -3.95 3.36 -0.07 2.91 -6.30 -1.26 -4.67 118.70 108.72 2a3x s GLU 136 Ca 0.15 -0.41 -0.16 0.00 -2.50 0.00 0.00 54.97 52.05 2a3x s GLU 136 Cb 0.04 -2.92 -0.05 0.00 0.00 0.00 0.00 34.13 31.20 2a3x s GLU 136 CO -0.02 0.52 0.43 -0.65 0.02 0.00 0.00 175.26 175.55 2a3x s GLN 137 N -0.36 4.15 0.00 4.30 -0.21 -1.26 -3.94 119.66 122.34 2a3x s GLN 137 Ca 0.07 0.40 0.05 0.00 0.02 0.00 0.00 55.36 55.90 2a3x s GLN 137 Cb -0.12 -3.34 -0.03 0.00 1.00 0.00 0.00 33.01 30.52 2a3x s GLN 137 CO 0.02 0.41 0.30 -0.25 -2.12 0.00 0.00 175.29 173.65 2a3x n ASP 138 N 2.81 0.48 -4.01 5.90 8.00 -0.95 -4.60 116.55 124.19 2a3x n ASP 138 Ca -0.11 -0.74 -0.26 0.00 0.71 0.00 0.00 54.79 54.39 2a3x n ASP 138 Cb 0.52 0.78 -0.06 0.00 -0.02 0.00 0.00 41.12 42.34 2a3x n ASP 138 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2a3x n SER 139 N -0.80 2.05 -4.53 -2.24 3.41 -0.83 -4.90 113.62 105.77 2a3x n SER 139 Ca 0.01 -3.03 -0.42 0.00 -0.26 0.00 0.00 58.87 55.17 2a3x n SER 139 Cb 0.08 0.70 -0.02 0.00 -0.26 0.00 0.00 64.21 64.72 2a3x n SER 139 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 2a3x s TYR 140 N -2.86 2.84 0.00 7.33 5.04 -1.26 -3.77 117.35 124.66 2a3x s TYR 140 Ca 0.11 -1.34 0.00 0.00 -2.44 0.00 0.00 57.07 53.41 2a3x s TYR 140 Cb 0.01 -4.59 0.00 0.00 0.35 0.00 0.00 41.96 37.73 2a3x s TYR 140 CO 0.08 -1.75 0.00 0.41 -1.34 0.00 0.00 175.55 172.95 2a3x n GLY 141 N 5.84 0.54 0.00 8.97 0.00 -1.26 -5.03 105.19 114.26 2a3x n GLY 141 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 -1.58 3.53 3.27 -0.02 0.00 -1.25 -5.03 105.19 104.11 2a3x n GLY 142 Ca 0.00 -0.63 -0.14 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.89 -2.62 1.61 4.76 -1.26 -1.97 118.16 116.79 2a3x n LYS 143 Ca 0.00 0.97 -0.31 0.00 -2.87 0.00 0.00 58.31 56.10 2a3x n LYS 143 Cb 0.00 -5.55 -0.03 0.00 -1.84 0.00 0.00 35.03 27.61 2a3x n LYS 143 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2a3x s PHE 144 N -3.30 3.47 -0.11 2.13 0.08 -1.26 -2.64 117.98 116.35 2a3x s PHE 144 Ca 0.34 1.25 0.03 0.00 0.12 0.00 0.00 56.93 58.68 2a3x s PHE 144 Cb -0.06 -2.61 0.00 0.00 -0.57 0.00 0.00 43.02 39.78 2a3x s PHE 144 CO 0.76 -0.24 -0.22 0.34 -0.10 0.00 0.00 175.22 175.75 2a3x s ASP 145 N -3.14 3.00 0.19 1.36 -1.08 -1.25 -5.03 116.67 110.72 2a3x s ASP 145 Ca 0.55 -0.55 -0.12 0.00 -0.52 0.00 0.00 52.55 51.91 2a3x s ASP 145 Cb -0.10 -1.38 0.20 0.00 -1.46 0.00 0.00 42.92 40.18 2a3x s ASP 145 CO 0.32 0.12 1.74 -0.09 0.52 0.00 0.00 175.17 177.79 2a3x h ARG 146 N 6.93 0.34 0.00 4.34 2.43 -1.96 -1.78 114.38 124.69 2a3x h ARG 146 Ca -0.24 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 2a3x h ARG 146 Cb 1.22 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 2a3x h ARG 146 CO 0.50 0.23 0.00 -1.13 -1.51 0.00 0.00 179.97 178.05 2a3x n SER 147 N -5.02 0.00 -0.03 -3.80 3.41 -1.26 -2.20 113.62 104.73 2a3x n SER 147 Ca 0.06 -1.22 0.01 0.00 -0.26 0.00 0.00 58.87 57.46 2a3x n SER 147 Cb 0.22 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.17 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 -0.72 4.02 -1.82 4.33 6.02 -0.70 -4.63 117.38 123.87 2a3x n GLN 148 Ca 0.08 -0.21 -0.41 0.00 -0.01 0.00 0.00 57.00 56.45 2a3x n GLN 148 Cb 0.04 -0.74 -0.01 0.00 1.02 0.00 0.00 30.24 30.55 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 -0.85 6.39 -0.06 1.08 1.04 -0.93 -2.59 113.70 117.77 2a3x s SER 149 Ca 0.01 2.99 -0.22 0.00 0.48 0.00 0.00 55.95 59.21 2a3x s SER 149 Cb 0.02 -2.65 -0.04 0.00 0.10 0.00 0.00 66.02 63.44 2a3x s SER 149 CO 0.06 -0.86 0.65 0.12 0.98 0.00 0.00 173.24 174.19 2a3x s PHE 150 N -0.72 3.59 -0.12 5.02 5.36 -0.60 -4.72 117.98 125.80 2a3x s PHE 150 Ca 0.56 1.19 -0.01 0.00 -0.96 0.00 0.00 56.93 57.71 2a3x s PHE 150 Cb -0.46 -2.74 0.03 0.00 -0.34 0.00 0.00 43.02 39.51 2a3x s PHE 150 CO 0.57 0.14 -0.03 0.54 -1.46 0.00 0.00 175.22 174.98 2a3x s VAL 151 N 0.62 0.73 -2.25 3.12 0.11 -1.26 -4.78 120.40 116.68 2a3x s VAL 151 Ca 0.35 -0.22 0.00 0.00 -2.93 0.00 0.00 61.98 59.18 2a3x s VAL 151 Cb -0.17 -0.89 0.00 0.00 -1.53 0.00 0.00 36.38 33.79 2a3x s VAL 151 CO 0.17 0.21 0.00 0.61 -3.33 0.00 0.00 175.10 172.76 2a3x n GLY 152 N 5.02 -0.23 2.96 6.54 0.00 -0.30 -4.48 105.19 114.70 2a3x n GLY 152 Ca -0.10 -0.79 -0.23 0.00 0.00 0.00 0.00 46.02 44.91 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 1.31 -0.02 1.61 2.02 0.09 0.24 118.70 121.95 2a3x s GLU 153 Ca 0.00 -0.27 0.07 0.00 0.02 0.00 0.00 54.97 54.79 2a3x s GLU 153 Cb 0.00 -1.16 -0.02 0.00 0.10 0.00 0.00 34.13 33.05 2a3x s GLU 153 CO 0.00 -0.04 -0.23 0.42 0.02 0.00 0.00 175.26 175.44 2a3x s ILE 154 N 0.83 1.80 0.33 -1.63 1.01 -0.34 -0.76 121.20 122.44 2a3x s ILE 154 Ca -0.12 -0.97 -0.18 0.00 0.00 0.00 0.00 60.65 59.37 2a3x s ILE 154 Cb -0.15 -1.50 0.04 0.00 0.01 0.00 0.00 42.46 40.87 2a3x s ILE 154 CO 0.02 0.51 0.77 -0.83 0.00 0.00 0.00 174.94 175.41 2a3x s GLY 155 N -0.51 0.16 -1.33 6.18 0.00 0.29 -0.51 107.32 111.60 2a3x s GLY 155 Ca 0.08 -0.54 -0.01 0.00 0.00 0.00 0.00 44.72 44.25 2a3x s GLY 155 CO -0.01 -0.15 0.73 1.22 0.00 0.00 0.00 173.10 174.90 2a3x n ASP 156 N -0.99 -1.54 -4.69 1.64 9.92 -1.26 0.68 116.55 120.30 2a3x n ASP 156 Ca -0.06 -0.81 -0.39 0.00 -0.53 0.00 0.00 54.79 53.00 2a3x n ASP 156 Cb 0.60 -4.07 -0.06 0.00 -0.64 0.00 0.00 41.12 36.95 2a3x n ASP 156 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 2a3x s LEU 157 N -6.73 4.22 0.03 0.64 1.98 -1.25 -3.74 118.68 113.82 2a3x s LEU 157 Ca 0.07 0.87 0.01 0.00 -2.89 0.00 0.00 54.13 52.18 2a3x s LEU 157 Cb -0.03 -2.83 -0.02 0.00 0.66 0.00 0.00 46.19 43.97 2a3x s LEU 157 CO 0.81 -0.14 -0.05 -0.31 -1.89 0.00 0.00 176.35 174.78 2a3x s TYR 158 N 1.23 0.40 -0.05 5.38 2.02 0.11 -1.87 117.35 124.58 2a3x s TYR 158 Ca 0.29 -0.53 -0.02 0.00 -0.37 0.00 0.00 57.07 56.44 2a3x s TYR 158 Cb -0.16 -0.26 0.03 0.00 -0.40 0.00 0.00 41.96 41.17 2a3x s TYR 158 CO 0.12 -0.16 0.08 1.41 -1.57 0.00 0.00 175.55 175.43 2a3x s MET 159 N -1.53 -0.05 0.23 -0.62 1.75 0.49 -0.75 119.30 118.82 2a3x s MET 159 Ca -0.14 0.40 0.06 0.00 -1.25 0.00 0.00 55.69 54.77 2a3x s MET 159 Cb -0.10 -0.44 -0.04 0.00 2.84 0.00 0.00 34.83 37.10 2a3x s MET 159 CO -0.01 -0.31 0.20 -1.58 -0.65 0.00 0.00 175.02 172.68 2a3x s TRP 160 N 2.09 3.16 -0.40 4.11 0.51 -0.09 -1.53 118.94 126.78 2a3x s TRP 160 Ca 0.03 -0.08 0.04 0.00 -2.12 0.00 0.00 56.10 53.98 2a3x s TRP 160 Cb -0.12 -1.44 0.62 0.00 -0.81 0.00 0.00 33.47 31.72 2a3x s TRP 160 CO -0.04 0.51 1.82 -0.40 -0.51 0.00 0.00 176.95 178.34 2a3x n ASP 161 N -1.05 3.83 -4.14 2.95 5.75 -1.26 -2.00 116.55 120.63 2a3x n ASP 161 Ca -0.08 -3.42 -0.09 0.00 -0.01 0.00 0.00 54.79 51.19 2a3x n ASP 161 Cb 0.57 -0.80 -0.10 0.00 -1.03 0.00 0.00 41.12 39.76 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 -1.06 0.69 -0.68 -1.12 1.04 -1.24 -4.38 113.70 106.94 2a3x s SER 162 Ca 0.52 -1.05 -0.24 0.00 0.48 0.00 0.00 55.95 55.66 2a3x s SER 162 Cb 0.43 0.18 0.06 0.00 0.10 0.00 0.00 66.02 66.80 2a3x s SER 162 CO 0.10 -0.59 1.05 -0.69 0.98 0.00 0.00 173.24 174.10 2a3x s VAL 163 N -3.84 4.18 0.14 5.02 1.01 -1.26 -2.73 120.40 122.91 2a3x s VAL 163 Ca 0.13 -0.19 -0.31 0.00 0.00 0.00 0.00 61.98 61.60 2a3x s VAL 163 Cb 0.07 -4.75 -0.10 0.00 0.00 0.00 0.00 36.38 31.61 2a3x s VAL 163 CO -0.05 -1.56 1.63 -0.76 0.00 0.00 0.00 175.10 174.36 2a3x s LEU 164 N 4.47 4.37 0.95 3.92 1.02 -1.26 -4.99 118.68 127.15 2a3x s LEU 164 Ca 0.26 2.62 -0.11 0.00 0.02 0.00 0.00 54.13 56.92 2a3x s LEU 164 Cb -0.14 -3.58 0.17 0.00 0.02 0.00 0.00 46.19 42.65 2a3x s LEU 164 CO 0.11 -0.87 1.12 -2.16 0.02 0.00 0.00 176.35 174.56 2a3x s PRO 165 N 1.69 0.72 0.26 1.29 0.04 -1.26 -4.69 135.00 133.06 2a3x s PRO 165 Ca 0.73 1.36 -0.02 0.00 0.04 0.00 0.00 61.00 63.11 2a3x s PRO 165 Cb -0.44 -1.71 0.55 0.00 0.04 0.00 0.00 34.50 32.95 2a3x s PRO 165 CO 0.32 -2.77 1.71 -1.35 0.04 0.00 0.00 177.00 174.95 2a3x h PRO 166 N -1.96 0.40 -0.62 0.56 0.11 -1.99 -1.50 132.00 126.99 2a3x h PRO 166 Ca -0.47 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.67 2a3x h PRO 166 Cb 1.28 -0.09 -0.05 0.00 0.11 0.00 0.00 31.00 32.25 2a3x h PRO 166 CO 0.44 0.27 0.33 1.05 -0.21 0.00 0.00 178.00 179.88 2a3x h GLU 167 N 0.42 0.61 -0.40 1.05 9.09 -1.99 -0.35 114.58 123.00 2a3x h GLU 167 Ca 0.46 -0.04 -0.10 0.00 0.05 0.00 0.00 59.36 59.74 2a3x h GLU 167 Cb 0.78 -0.14 -0.01 0.00 -1.65 0.00 0.00 28.75 27.73 2a3x h GLU 167 CO -0.46 0.40 -0.14 -0.91 0.05 0.00 0.00 179.01 177.95 2a3x h ASN 168 N 0.62 0.81 -0.91 3.06 2.35 -1.65 -0.51 115.58 119.36 2a3x h ASN 168 Ca 0.28 -0.38 0.02 0.00 -0.55 0.00 0.00 56.30 55.67 2a3x h ASN 168 Cb 0.18 -0.22 -0.05 0.00 0.05 0.00 0.00 38.32 38.28 2a3x h ASN 168 CO -0.18 1.01 0.59 0.40 -1.65 0.00 0.00 177.43 177.60 2a3x h ILE 169 N 0.61 1.19 -0.70 2.81 2.04 -1.11 -2.16 117.51 120.19 2a3x h ILE 169 Ca 0.10 -0.41 -0.07 0.00 1.00 0.00 0.00 64.86 65.48 2a3x h ILE 169 Cb 0.68 -0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.63 2a3x h ILE 169 CO 0.05 0.22 0.16 -0.07 0.00 0.00 0.00 178.15 178.51 2a3x h LEU 170 N 1.18 1.07 -1.66 1.44 3.38 -0.80 -2.60 115.31 117.32 2a3x h LEU 170 Ca 0.35 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 2a3x h LEU 170 Cb -0.07 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.40 2a3x h LEU 170 CO -0.10 1.03 -0.15 0.28 0.09 0.00 0.00 178.44 179.59 2a3x h SER 171 N 1.06 0.02 -0.14 -0.43 0.02 -0.57 0.12 113.55 113.63 2a3x h SER 171 Ca 0.22 -0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.96 2a3x h SER 171 Cb 0.38 -0.01 0.01 0.00 0.14 0.00 0.00 62.40 62.93 2a3x h SER 171 CO 0.00 0.18 -0.73 0.00 -1.14 0.00 0.00 176.83 175.14 2a3x h ALA 172 N 1.83 0.28 -0.66 3.77 0.00 -1.19 -1.35 119.26 121.94 2a3x h ALA 172 Ca 0.00 -0.58 -0.08 0.00 0.00 0.00 0.00 54.91 54.25 2a3x h ALA 172 Cb 0.28 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2a3x h ALA 172 CO 0.02 0.62 0.11 -0.92 0.00 0.00 0.00 179.25 179.08 2a3x h TYR 173 N 0.45 1.15 0.00 0.00 3.20 -1.04 -2.83 116.97 117.90 2a3x h TYR 173 Ca -0.05 -0.16 0.00 0.00 3.14 0.00 0.00 58.73 61.66 2a3x h TYR 173 Cb 1.37 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 39.32 2a3x h TYR 173 CO 0.09 0.96 0.00 1.04 -1.64 0.00 0.00 178.16 178.62 2a3x n GLN 174 N -4.25 0.29 -0.10 1.82 6.02 0.37 -4.85 117.38 116.69 2a3x n GLN 174 Ca 0.04 0.10 0.00 0.00 -0.01 0.00 0.00 57.00 57.13 2a3x n GLN 174 Cb 0.28 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.04 2a3x n GLN 174 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2a3x n GLY 175 N -0.13 0.52 2.43 1.08 0.00 -1.07 -5.01 105.19 103.02 2a3x n GLY 175 Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.00 1.44 -1.41 2.61 -2.24 -0.52 -5.02 114.28 107.14 2a3x n THR 176 Ca 0.00 -4.83 -0.31 0.00 -2.27 0.00 0.00 64.05 56.64 2a3x n THR 176 Cb 0.00 -2.06 0.08 0.00 -2.10 0.00 0.00 70.33 66.25 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 -1.95 2.44 0.06 -0.78 0.04 -1.12 -4.33 135.00 129.36 2a3x s PRO 177 Ca 0.37 1.01 -0.21 0.00 0.04 0.00 0.00 61.00 62.21 2a3x s PRO 177 Cb 0.12 -1.93 -0.06 0.00 0.04 0.00 0.00 34.50 32.67 2a3x s PRO 177 CO -0.06 -1.47 0.62 -0.51 0.04 0.00 0.00 177.00 175.62 2a3x s LEU 178 N -5.78 4.50 0.09 -3.56 1.02 -1.26 -4.96 118.68 108.71 2a3x s LEU 178 Ca 0.60 1.29 -0.35 0.00 0.02 0.00 0.00 54.13 55.69 2a3x s LEU 178 Cb -0.16 -2.98 -0.19 0.00 0.02 0.00 0.00 46.19 42.89 2a3x s LEU 178 CO 0.56 0.19 0.89 -2.65 0.02 0.00 0.00 176.35 175.36 2a3x n PRO 179 N 2.10 0.13 -4.17 1.29 -0.02 -1.26 -4.97 135.00 128.11 2a3x n PRO 179 Ca -0.08 0.05 -0.26 0.00 -2.02 0.00 0.00 63.50 61.18 2a3x n PRO 179 Cb 0.50 -1.38 -0.07 0.00 -0.02 0.00 0.00 33.50 32.54 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 -0.35 3.33 -0.03 3.55 0.00 -1.26 -5.06 121.76 121.94 2a3x s ALA 180 Ca 0.80 -1.33 0.17 0.00 0.00 0.00 0.00 51.96 51.60 2a3x s ALA 180 Cb -1.11 -1.11 -0.26 0.00 0.00 0.00 0.00 23.12 20.63 2a3x s ALA 180 CO 0.56 0.47 0.35 0.27 0.00 0.00 0.00 175.76 177.41 2a3x n ASN 181 N -0.27 1.05 -0.02 0.00 0.23 -1.24 -4.60 115.26 110.41 2a3x n ASN 181 Ca -0.09 0.00 -0.02 0.00 -0.53 0.00 0.00 54.58 53.94 2a3x n ASN 181 Cb 0.55 1.72 -0.01 0.00 -2.08 0.00 0.00 39.78 39.96 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 -2.14 0.46 -5.06 1.53 5.41 -0.58 -4.93 119.36 114.04 2a3x n ILE 182 Ca -0.05 0.40 -0.32 0.00 1.00 0.00 0.00 62.75 63.78 2a3x n ILE 182 Cb 0.50 -1.78 -0.17 0.00 -0.71 0.00 0.00 39.64 37.48 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 -5.76 2.15 -0.06 1.39 2.01 -1.01 -4.66 118.68 112.74 2a3x s LEU 183 Ca -0.06 -0.55 0.02 0.00 0.01 0.00 0.00 54.13 53.55 2a3x s LEU 183 Cb 0.01 -1.43 0.02 0.00 0.01 0.00 0.00 46.19 44.79 2a3x s LEU 183 CO 0.09 0.14 -0.09 -0.62 1.01 0.00 0.00 176.35 176.88 2a3x s ASP 184 N 0.45 1.47 0.36 2.29 -1.08 -1.26 -0.38 116.67 118.53 2a3x s ASP 184 Ca -0.16 -0.23 0.09 0.00 -0.52 0.00 0.00 52.55 51.73 2a3x s ASP 184 Cb -0.17 -0.68 0.69 0.00 -1.46 0.00 0.00 42.92 41.30 2a3x s ASP 184 CO 0.06 -0.01 1.85 -0.25 0.52 0.00 0.00 175.17 177.34 2a3x h TRP 185 N 7.13 0.22 -0.00 -5.34 2.91 -1.75 -1.84 115.95 117.28 2a3x h TRP 185 Ca -0.33 -0.04 0.00 0.00 1.13 0.00 0.00 58.89 59.65 2a3x h TRP 185 Cb 1.17 -0.06 0.00 0.00 -0.51 0.00 0.00 29.16 29.76 2a3x h TRP 185 CO 0.49 0.43 -0.05 1.04 -1.03 0.00 0.00 178.44 179.33 2a3x n GLN 186 N -4.19 0.31 -2.96 2.65 6.02 -1.26 -1.89 117.38 116.06 2a3x n GLN 186 Ca -0.01 -0.04 -0.15 0.00 -0.01 0.00 0.00 57.00 56.80 2a3x n GLN 186 Cb 0.34 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 30.09 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 -1.31 0.20 -2.85 -1.58 0.00 -0.95 -3.79 120.51 110.22 2a3x n ALA 187 Ca 0.12 -2.17 -0.36 0.00 0.00 0.00 0.00 53.44 51.03 2a3x n ALA 187 Cb 0.28 -1.13 -0.11 0.00 0.00 0.00 0.00 19.45 18.49 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 -0.57 3.74 -0.58 0.00 2.96 -0.74 -4.25 118.68 119.25 2a3x s LEU 188 Ca 0.33 -0.03 -0.22 0.00 -0.22 0.00 0.00 54.13 53.99 2a3x s LEU 188 Cb 0.16 -1.99 0.06 0.00 0.50 0.00 0.00 46.19 44.93 2a3x s LEU 188 CO -0.17 0.06 0.85 0.21 -1.32 0.00 0.00 176.35 175.97 2a3x s ASN 189 N 1.08 6.24 0.23 3.68 3.84 -1.26 -2.73 114.94 126.02 2a3x s ASN 189 Ca 0.05 -0.81 0.05 0.00 0.21 0.00 0.00 52.86 52.37 2a3x s ASN 189 Cb -0.14 -2.38 -0.05 0.00 -0.55 0.00 0.00 41.25 38.13 2a3x s ASN 189 CO 0.04 -1.21 -0.06 -0.72 -2.79 0.00 0.00 177.10 172.36 2a3x s TYR 190 N 3.54 1.67 -0.12 0.43 -0.85 -1.26 -0.45 117.35 120.32 2a3x s TYR 190 Ca 0.22 -0.77 -0.03 0.00 -0.52 0.00 0.00 57.07 55.97 2a3x s TYR 190 Cb -0.17 -0.92 0.04 0.00 0.38 0.00 0.00 41.96 41.30 2a3x s TYR 190 CO 0.13 0.14 0.04 -1.21 -1.52 0.00 0.00 175.55 173.14 2a3x s GLU 191 N -3.77 0.35 0.11 -3.49 2.02 0.92 -4.95 118.70 109.90 2a3x s GLU 191 Ca 0.26 -0.01 -0.28 0.00 0.02 0.00 0.00 54.97 54.97 2a3x s GLU 191 Cb 0.04 -1.35 -0.06 0.00 0.10 0.00 0.00 34.13 32.85 2a3x s GLU 191 CO 0.08 -0.48 0.86 0.42 0.02 0.00 0.00 175.26 176.17 2a3x s ILE 192 N 2.02 4.50 -0.04 -1.63 1.01 -1.26 -0.32 121.20 125.48 2a3x s ILE 192 Ca 0.03 1.86 0.02 0.00 0.00 0.00 0.00 60.65 62.56 2a3x s ILE 192 Cb -0.14 -4.22 0.01 0.00 0.01 0.00 0.00 42.46 38.12 2a3x s ILE 192 CO -0.06 0.39 -0.09 -0.13 0.00 0.00 0.00 174.94 175.05 2a3x s ARG 193 N -0.35 1.15 4.51 2.79 1.81 -0.49 -4.96 118.95 123.40 2a3x s ARG 193 Ca 0.41 -0.28 0.00 0.00 -1.72 0.00 0.00 55.73 54.14 2a3x s ARG 193 Cb -0.23 -1.04 0.00 0.00 -0.45 0.00 0.00 34.95 33.23 2a3x s ARG 193 CO 0.27 0.03 0.00 0.41 -0.68 0.00 0.00 175.30 175.33 2a3x n GLY 194 N 3.66 1.16 3.35 -3.53 0.00 -1.26 -1.88 105.19 106.70 2a3x n GLY 194 Ca -0.22 -0.74 -0.46 0.00 0.00 0.00 0.00 46.02 44.59 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 3.69 -0.03 1.61 5.04 -1.26 -4.96 117.35 121.44 2a3x s TYR 195 Ca 0.00 -1.94 -0.01 0.00 -2.44 0.00 0.00 57.07 52.69 2a3x s TYR 195 Cb 0.00 -3.90 0.03 0.00 0.35 0.00 0.00 41.96 38.44 2a3x s TYR 195 CO 0.00 -1.07 0.05 0.54 -1.34 0.00 0.00 175.55 173.73 2a3x s VAL 196 N 0.49 -0.06 0.12 3.14 0.11 -1.26 -4.41 120.40 118.53 2a3x s VAL 196 Ca 0.21 0.22 0.07 0.00 -2.93 0.00 0.00 61.98 59.56 2a3x s VAL 196 Cb -0.09 -0.11 -0.04 0.00 -1.53 0.00 0.00 36.38 34.61 2a3x s VAL 196 CO -0.09 0.09 -0.11 -0.63 -3.33 0.00 0.00 175.10 171.04 2a3x s ILE 197 N 1.15 3.30 -0.44 7.04 -1.09 -1.05 -4.94 121.20 125.18 2a3x s ILE 197 Ca -0.08 -1.34 -0.12 0.00 -2.23 0.00 0.00 60.65 56.87 2a3x s ILE 197 Cb -0.13 -2.56 0.07 0.00 -1.58 0.00 0.00 42.46 38.27 2a3x s ILE 197 CO -0.04 0.08 0.32 -0.63 -1.23 0.00 0.00 174.94 173.44 2a3x s ILE 198 N -1.28 4.69 0.21 2.92 1.01 -1.26 -1.29 121.20 126.20 2a3x s ILE 198 Ca 0.22 -1.22 0.07 0.00 0.00 0.00 0.00 60.65 59.72 2a3x s ILE 198 Cb -0.11 -3.82 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 2a3x s ILE 198 CO 0.14 -0.52 0.09 -0.54 0.00 0.00 0.00 174.94 174.10 2a3x s LYS 199 N 1.53 2.66 0.44 2.79 -0.14 -1.10 -4.95 119.74 120.97 2a3x s LYS 199 Ca 0.03 -1.09 -0.25 0.00 -1.36 0.00 0.00 55.97 53.30 2a3x s LYS 199 Cb -0.23 -2.45 -0.08 0.00 -1.68 0.00 0.00 37.83 33.38 2a3x s LYS 199 CO 0.04 0.43 1.40 -1.25 -0.76 0.00 0.00 175.35 175.21 2a3x s PRO 200 N -3.36 3.74 -0.30 -1.68 0.04 -1.26 -0.61 135.00 131.56 2a3x s PRO 200 Ca 0.31 2.35 -0.29 0.00 0.04 0.00 0.00 61.00 63.41 2a3x s PRO 200 Cb -0.09 -2.67 0.01 0.00 0.04 0.00 0.00 34.50 31.79 2a3x s PRO 200 CO 0.22 -0.75 1.24 -1.17 0.04 0.00 0.00 177.00 176.58 2a3x s LEU 201 N -2.67 3.90 0.00 -3.56 2.96 -0.92 -4.65 118.68 113.74 2a3x s LEU 201 Ca 0.60 1.17 0.09 0.00 -0.22 0.00 0.00 54.13 55.78 2a3x s LEU 201 Cb -0.42 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 42.65 2a3x s LEU 201 CO 0.54 -1.02 0.46 1.33 -1.32 0.00 0.00 176.35 176.35 2a3x n VAL 202 N 6.10 0.00 -0.48 1.68 0.24 -1.26 -4.64 118.33 119.97 2a3x n VAL 202 Ca 0.14 -0.31 -0.01 0.00 -2.04 0.00 0.00 64.34 62.11 2a3x n VAL 202 Cb 0.47 1.03 0.26 0.00 -1.47 0.00 0.00 33.84 34.13 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 -0.95 1.76 -0.76 6.34 4.27 -1.26 -5.28 117.44 121.56 2a3x n TRP 203 Ca 0.02 -0.80 0.00 0.00 -3.89 0.00 0.00 57.50 52.83 2a3x n TRP 203 Cb 0.16 -0.51 0.00 0.00 -1.36 0.00 0.00 31.31 29.60 2a3x n TRP 203 CO 0.00 0.00 0.00 0.28 -2.29 0.00 0.00 177.69 175.68