#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 1.29 -0.17 1.59 2.01 -0.86 -4.85 115.64 114.64 2a3x s THR 2 Ca 0.00 -0.54 -0.29 0.00 0.31 0.00 0.00 61.69 61.16 2a3x s THR 2 Cb 0.00 -1.18 -0.01 0.00 0.01 0.00 0.00 72.50 71.32 2a3x s THR 2 CO 0.00 0.39 1.30 -0.62 -0.69 0.00 0.00 174.62 175.00 2a3x s ASP 3 N 0.80 6.89 -0.20 3.53 2.15 -1.22 -2.77 116.67 125.84 2a3x s ASP 3 Ca -0.11 1.67 0.12 0.00 0.43 0.00 0.00 52.55 54.66 2a3x s ASP 3 Cb -0.16 -2.54 0.41 0.00 -0.30 0.00 0.00 42.92 40.34 2a3x s ASP 3 CO 0.02 -0.81 1.21 0.18 -0.17 0.00 0.00 175.17 175.60 2a3x n LEU 4 N 6.77 2.67 -4.62 -1.34 4.32 -1.12 -5.03 117.00 118.66 2a3x n LEU 4 Ca 0.14 -3.84 -0.43 0.00 -0.02 0.00 0.00 56.01 51.87 2a3x n LEU 4 Cb 0.45 -0.52 -0.03 0.00 -1.62 0.00 0.00 43.42 41.70 2a3x n LEU 4 CO 0.57 1.35 1.58 -0.44 -1.22 0.00 0.00 177.39 179.23 2a3x s SER 5 N -3.20 6.01 0.00 -1.43 0.01 -1.26 -1.96 113.70 111.87 2a3x s SER 5 Ca 0.37 1.79 0.00 0.00 1.31 0.00 0.00 55.95 59.42 2a3x s SER 5 Cb 0.36 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 64.07 2a3x s SER 5 CO -0.06 -1.53 0.00 0.61 0.41 0.00 0.00 173.24 172.67 2a3x n GLY 6 N 5.13 0.66 3.27 3.44 0.00 -1.26 -5.06 105.19 111.38 2a3x n GLY 6 Ca 0.23 -0.74 -0.14 0.00 0.00 0.00 0.00 46.02 45.37 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 -3.15 1.17 0.06 1.61 1.02 -0.83 -2.19 119.74 117.43 2a3x s LYS 7 Ca 0.00 -1.57 -0.04 0.00 0.02 0.00 0.00 55.97 54.38 2a3x s LYS 7 Cb 0.00 -0.39 -0.02 0.00 -0.52 0.00 0.00 37.83 36.90 2a3x s LYS 7 CO 0.00 -0.11 0.06 0.14 -0.92 0.00 0.00 175.35 174.53 2a3x s VAL 8 N -3.57 0.18 -0.15 3.17 -7.23 0.11 -4.52 120.40 108.39 2a3x s VAL 8 Ca 0.25 -1.49 -0.14 0.00 -1.81 0.00 0.00 61.98 58.79 2a3x s VAL 8 Cb 0.06 -1.37 -0.05 0.00 0.56 0.00 0.00 36.38 35.58 2a3x s VAL 8 CO 0.05 -0.82 0.30 -0.36 -0.31 0.00 0.00 175.10 173.96 2a3x s PHE 9 N -3.73 3.49 -0.17 2.82 0.08 0.15 -2.46 117.98 118.16 2a3x s PHE 9 Ca 0.05 0.63 0.01 0.00 0.12 0.00 0.00 56.93 57.74 2a3x s PHE 9 Cb 0.06 -2.33 0.02 0.00 -0.57 0.00 0.00 43.02 40.19 2a3x s PHE 9 CO -0.10 0.28 -0.20 0.54 -0.10 0.00 0.00 175.22 175.64 2a3x s VAL 10 N 0.31 2.02 -0.68 -0.44 0.11 -0.66 -0.52 120.40 120.55 2a3x s VAL 10 Ca 0.17 -0.93 -0.14 0.00 -2.93 0.00 0.00 61.98 58.16 2a3x s VAL 10 Cb -0.13 -1.82 0.18 0.00 -1.53 0.00 0.00 36.38 33.07 2a3x s VAL 10 CO 0.05 0.54 0.62 -0.36 -3.33 0.00 0.00 175.10 172.61 2a3x s PHE 11 N 1.21 3.53 -2.07 1.54 0.40 -0.81 -1.46 117.98 120.31 2a3x s PHE 11 Ca 0.03 -1.78 0.19 0.00 -0.60 0.00 0.00 56.93 54.77 2a3x s PHE 11 Cb -0.13 -3.75 1.04 0.00 0.51 0.00 0.00 43.02 40.68 2a3x s PHE 11 CO -0.11 -0.99 1.68 -2.30 0.70 0.00 0.00 175.22 174.20 2a3x n PRO 12 N 4.48 1.17 -3.67 0.24 -0.02 -1.26 -2.45 135.00 133.49 2a3x n PRO 12 Ca 0.02 -0.25 -0.13 0.00 -2.02 0.00 0.00 63.50 61.11 2a3x n PRO 12 Cb 0.43 -1.32 -0.07 0.00 -0.02 0.00 0.00 33.50 32.53 2a3x n PRO 12 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 2a3x s ARG 13 N -1.95 0.90 -0.19 -0.52 1.04 -1.26 -4.99 118.95 111.97 2a3x s ARG 13 Ca 0.29 -0.29 -0.29 0.00 -1.04 0.00 0.00 55.73 54.40 2a3x s ARG 13 Cb 0.14 0.40 -0.03 0.00 -2.04 0.00 0.00 34.95 33.42 2a3x s ARG 13 CO 0.23 -0.30 1.68 -2.00 -0.04 0.00 0.00 175.30 174.87 2a3x s GLU 14 N -2.21 3.81 0.24 3.89 2.12 -1.26 -4.79 118.70 120.50 2a3x s GLU 14 Ca -0.07 1.79 -0.06 0.00 0.36 0.00 0.00 54.97 56.99 2a3x s GLU 14 Cb -0.01 -4.06 -0.02 0.00 0.26 0.00 0.00 34.13 30.30 2a3x s GLU 14 CO -0.00 -1.29 0.33 -1.54 -0.54 0.00 0.00 175.26 172.22 2a3x s SER 15 N 4.43 0.17 -0.00 -1.70 1.04 -1.26 -5.05 113.70 111.33 2a3x s SER 15 Ca 0.74 -1.20 0.04 0.00 0.48 0.00 0.00 55.95 56.01 2a3x s SER 15 Cb -0.27 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.32 2a3x s SER 15 CO 0.30 -1.04 0.15 0.55 0.98 0.00 0.00 173.24 174.18 2a3x n VAL 16 N -0.37 0.00 -0.09 5.02 3.14 -1.26 -4.61 118.33 120.17 2a3x n VAL 16 Ca 0.00 -0.39 -0.10 0.00 -2.96 0.00 0.00 64.34 60.89 2a3x n VAL 16 Cb 0.63 0.96 -0.11 0.00 -1.06 0.00 0.00 33.84 34.26 2a3x n VAL 16 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 2a3x n THR 17 N -1.12 1.11 -2.07 1.55 -2.24 -1.26 -4.86 114.28 105.38 2a3x n THR 17 Ca 0.01 -0.59 -0.43 0.00 -2.27 0.00 0.00 64.05 60.76 2a3x n THR 17 Cb 0.06 -0.79 -0.03 0.00 -2.10 0.00 0.00 70.33 67.47 2a3x n THR 17 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2a3x s ASP 18 N -5.27 6.22 0.00 3.42 1.01 -1.26 -4.59 116.67 116.20 2a3x s ASP 18 Ca -0.14 1.51 -0.16 0.00 0.71 0.00 0.00 52.55 54.47 2a3x s ASP 18 Cb 0.05 -2.53 0.03 0.00 1.01 0.00 0.00 42.92 41.48 2a3x s ASP 18 CO 0.59 -1.41 0.35 -1.38 0.21 0.00 0.00 175.17 173.53 2a3x s HIS 19 N 5.75 -0.22 -0.31 4.23 -3.43 -1.01 -4.39 115.29 115.91 2a3x s HIS 19 Ca 0.74 0.27 -0.02 0.00 -0.80 0.00 0.00 55.06 55.25 2a3x s HIS 19 Cb -0.24 0.14 0.05 0.00 -1.43 0.00 0.00 32.58 31.10 2a3x s HIS 19 CO 0.31 -0.46 0.02 0.08 -2.00 0.00 0.00 174.74 172.69 2a3x s VAL 20 N -1.73 3.05 0.36 -5.38 1.01 0.92 -2.31 120.40 116.32 2a3x s VAL 20 Ca -0.10 -1.41 -0.25 0.00 0.00 0.00 0.00 61.98 60.21 2a3x s VAL 20 Cb -0.03 -2.77 -0.09 0.00 0.00 0.00 0.00 36.38 33.48 2a3x s VAL 20 CO 0.02 -0.15 1.04 0.20 0.00 0.00 0.00 175.10 176.22 2a3x s ASN 21 N 1.29 6.94 -0.09 3.32 0.01 0.44 -0.35 114.94 126.50 2a3x s ASN 21 Ca -0.04 2.06 -0.01 0.00 -0.71 0.00 0.00 52.86 54.16 2a3x s ASN 21 Cb -0.20 -2.59 0.03 0.00 0.41 0.00 0.00 41.25 38.89 2a3x s ASN 21 CO -0.01 -0.36 -0.05 -0.76 -1.51 0.00 0.00 177.10 174.41 2a3x s LEU 22 N -2.32 1.00 -0.12 0.60 1.02 0.52 0.07 118.68 119.46 2a3x s LEU 22 Ca 0.54 -0.21 -0.13 0.00 0.02 0.00 0.00 54.13 54.35 2a3x s LEU 22 Cb -0.24 -0.67 -0.05 0.00 0.02 0.00 0.00 46.19 45.26 2a3x s LEU 22 CO 0.30 -0.13 0.28 -0.63 0.02 0.00 0.00 176.35 176.19 2a3x s ILE 23 N 1.69 5.29 -0.06 -0.59 1.09 -0.09 -3.70 121.20 124.83 2a3x s ILE 23 Ca 0.03 0.54 0.03 0.00 -1.10 0.00 0.00 60.65 60.14 2a3x s ILE 23 Cb -0.13 -3.60 0.01 0.00 -1.06 0.00 0.00 42.46 37.68 2a3x s ILE 23 CO -0.06 0.47 -0.14 0.28 -0.10 0.00 0.00 174.94 175.39 2a3x s THR 24 N -0.09 1.23 -1.84 2.92 -1.32 -1.26 -4.47 115.64 110.81 2a3x s THR 24 Ca 0.17 -0.56 0.23 0.00 -1.21 0.00 0.00 61.69 60.33 2a3x s THR 24 Cb -0.13 -1.10 0.59 0.00 -1.51 0.00 0.00 72.50 70.35 2a3x s THR 24 CO 0.05 0.37 1.77 -2.65 -2.21 0.00 0.00 174.62 171.95 2a3x n PRO 25 N 3.59 0.62 -2.76 7.08 -0.02 -1.26 -4.80 135.00 137.45 2a3x n PRO 25 Ca -0.21 0.02 -0.42 0.00 -2.02 0.00 0.00 63.50 60.87 2a3x n PRO 25 Cb 0.52 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.47 2a3x n PRO 25 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2a3x s LEU 26 N -2.16 4.32 -0.30 2.45 1.43 -1.26 -4.95 118.68 118.21 2a3x s LEU 26 Ca 0.32 1.53 0.12 0.00 -1.03 0.00 0.00 54.13 55.06 2a3x s LEU 26 Cb 0.16 -3.48 0.47 0.00 0.03 0.00 0.00 46.19 43.37 2a3x s LEU 26 CO 0.29 -0.30 1.15 -0.62 0.23 0.00 0.00 176.35 177.10 2a3x n GLU 27 N 4.27 2.92 -4.74 1.70 1.02 -1.26 -4.38 120.64 120.18 2a3x n GLU 27 Ca 0.06 -3.96 -0.32 0.00 -0.02 0.00 0.00 57.16 52.92 2a3x n GLU 27 Cb 0.50 -2.03 -0.13 0.00 -0.02 0.00 0.00 31.44 29.77 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 -3.63 2.29 0.29 3.49 1.02 -1.26 -4.81 119.74 117.14 2a3x s LYS 28 Ca 0.42 -0.84 -0.30 0.00 0.02 0.00 0.00 55.97 55.27 2a3x s LYS 28 Cb 0.39 -2.29 -0.12 0.00 -0.52 0.00 0.00 37.83 35.29 2a3x s LYS 28 CO -0.01 0.58 1.59 -2.30 -0.92 0.00 0.00 175.35 174.29 2a3x n PRO 29 N 1.85 2.67 -3.39 -1.68 -0.02 -1.26 -4.37 135.00 128.80 2a3x n PRO 29 Ca -0.16 0.95 -0.38 0.00 -2.02 0.00 0.00 63.50 61.89 2a3x n PRO 29 Cb 0.52 -2.73 -0.07 0.00 -0.02 0.00 0.00 33.50 31.20 2a3x n PRO 29 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2a3x s LEU 30 N -0.45 4.19 0.00 2.45 0.20 0.34 -4.93 118.68 120.47 2a3x s LEU 30 Ca 0.64 0.58 0.00 0.00 0.69 0.00 0.00 54.13 56.04 2a3x s LEU 30 Cb -0.50 -2.54 0.00 0.00 -0.43 0.00 0.00 46.19 42.72 2a3x s LEU 30 CO 0.49 -0.05 0.00 1.67 -0.29 0.00 0.00 176.35 178.17 2a3x n GLN 31 N 4.23 0.00 -4.19 1.98 7.27 -1.26 -2.42 117.38 122.99 2a3x n GLN 31 Ca -0.08 0.02 -0.27 0.00 0.07 0.00 0.00 57.00 56.73 2a3x n GLN 31 Cb 0.51 -0.32 -0.08 0.00 2.41 0.00 0.00 30.24 32.76 2a3x n GLN 31 CO 0.00 0.00 0.00 -0.80 0.07 0.00 0.00 177.06 176.33 2a3x s ASN 32 N -2.68 4.81 0.13 1.69 0.01 -1.26 -2.96 114.94 114.68 2a3x s ASN 32 Ca 0.00 -0.34 -0.25 0.00 -0.71 0.00 0.00 52.86 51.55 2a3x s ASN 32 Cb 0.00 -1.05 0.07 0.00 0.41 0.00 0.00 41.25 40.68 2a3x s ASN 32 CO 0.00 0.11 0.88 0.72 -1.51 0.00 0.00 177.10 177.30 2a3x s PHE 33 N -1.61 -0.23 -0.03 2.20 -0.71 -1.21 -3.51 117.98 112.88 2a3x s PHE 33 Ca 0.27 -0.04 -0.02 0.00 -1.04 0.00 0.00 56.93 56.10 2a3x s PHE 33 Cb -0.10 0.61 0.02 0.00 -1.21 0.00 0.00 43.02 42.34 2a3x s PHE 33 CO 0.18 -0.80 0.07 0.99 -1.34 0.00 0.00 175.22 174.32 2a3x s THR 34 N -3.36 -0.02 -0.18 -4.49 2.01 -0.94 -2.77 115.64 105.90 2a3x s THR 34 Ca 0.09 0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.18 2a3x s THR 34 Cb -0.02 -0.12 0.04 0.00 0.01 0.00 0.00 72.50 72.41 2a3x s THR 34 CO -0.02 0.03 -0.10 -0.22 -0.69 0.00 0.00 174.62 173.63 2a3x s LEU 35 N 0.46 1.96 0.01 4.42 2.96 0.71 -1.83 118.68 127.37 2a3x s LEU 35 Ca -0.04 -0.73 0.06 0.00 -0.22 0.00 0.00 54.13 53.20 2a3x s LEU 35 Cb -0.05 -1.13 -0.03 0.00 0.50 0.00 0.00 46.19 45.48 2a3x s LEU 35 CO -0.02 -0.14 -0.16 0.00 -1.32 0.00 0.00 176.35 174.72 2a3x n PHE 37 N 1.80 -2.34 -4.37 0.00 -1.74 -0.81 -0.49 117.46 109.51 2a3x n PHE 37 Ca -0.16 -1.85 -0.22 0.00 -0.56 0.00 0.00 57.45 54.66 2a3x n PHE 37 Cb 0.52 0.92 -0.13 0.00 1.52 0.00 0.00 39.48 42.31 2a3x n PHE 37 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 2a3x s ARG 38 N -2.09 1.06 -0.10 3.97 0.52 0.15 -1.92 118.95 120.53 2a3x s ARG 38 Ca 0.16 -0.93 -0.08 0.00 -0.52 0.00 0.00 55.73 54.36 2a3x s ARG 38 Cb -0.05 -1.15 0.03 0.00 0.52 0.00 0.00 34.95 34.30 2a3x s ARG 38 CO 0.12 0.28 0.25 0.00 0.02 0.00 0.00 175.30 175.96 2a3x s ALA 39 N -0.99 -0.60 -0.29 2.13 0.00 0.36 -2.07 121.76 120.28 2a3x s ALA 39 Ca 0.03 0.77 -0.01 0.00 0.00 0.00 0.00 51.96 52.75 2a3x s ALA 39 Cb -0.09 -0.46 0.09 0.00 0.00 0.00 0.00 23.12 22.66 2a3x s ALA 39 CO 0.02 -0.14 0.09 -0.47 0.00 0.00 0.00 175.76 175.27 2a3x s TYR 40 N 0.40 1.51 0.04 0.00 5.04 -0.31 -0.03 117.35 123.99 2a3x s TYR 40 Ca -0.02 -1.55 -0.03 0.00 -2.44 0.00 0.00 57.07 53.02 2a3x s TYR 40 Cb -0.04 -1.55 -0.02 0.00 0.35 0.00 0.00 41.96 40.70 2a3x s TYR 40 CO -0.02 -0.84 0.03 0.45 -1.34 0.00 0.00 175.55 173.83 2a3x s SER 41 N 1.69 0.29 -0.39 4.32 0.15 -1.26 -1.02 113.70 117.48 2a3x s SER 41 Ca 0.08 -0.68 0.06 0.00 0.70 0.00 0.00 55.95 56.11 2a3x s SER 41 Cb -0.17 0.19 0.44 0.00 -1.71 0.00 0.00 66.02 64.77 2a3x s SER 41 CO -0.24 -0.50 1.15 -0.90 1.20 0.00 0.00 173.24 173.95 2a3x n ASP 42 N 0.73 4.83 -4.65 5.45 5.75 -1.26 -4.46 116.55 122.93 2a3x n ASP 42 Ca -0.18 -3.73 -0.38 0.00 -0.01 0.00 0.00 54.79 50.48 2a3x n ASP 42 Cb 0.59 -0.42 -0.08 0.00 -1.03 0.00 0.00 41.12 40.17 2a3x n ASP 42 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2a3x s LEU 43 N -3.57 4.11 0.12 -2.12 1.02 -1.26 -4.96 118.68 112.01 2a3x s LEU 43 Ca 0.49 0.41 -0.04 0.00 0.02 0.00 0.00 54.13 55.01 2a3x s LEU 43 Cb 0.40 -2.46 -0.14 0.00 0.02 0.00 0.00 46.19 44.01 2a3x s LEU 43 CO -0.10 -0.11 1.26 -1.28 0.02 0.00 0.00 176.35 176.14 2a3x h SER 44 N 7.68 0.50 -3.74 2.29 0.87 -2.01 -3.46 113.55 115.69 2a3x h SER 44 Ca -0.34 -0.44 -0.46 0.00 -1.23 0.00 0.00 61.79 59.32 2a3x h SER 44 Cb 1.16 -0.16 0.08 0.00 -0.44 0.00 0.00 62.40 63.05 2a3x h SER 44 CO 0.69 1.26 0.24 0.00 -0.53 0.00 0.00 176.83 178.49 2a3x s ARG 45 N -3.10 2.06 0.59 2.24 1.70 -1.26 -4.63 118.95 116.55 2a3x s ARG 45 Ca -0.05 -0.29 -0.18 0.00 -0.47 0.00 0.00 55.73 54.73 2a3x s ARG 45 Cb 0.08 -2.15 -0.03 0.00 -0.57 0.00 0.00 34.95 32.28 2a3x s ARG 45 CO 0.87 -1.34 1.16 0.00 -1.08 0.00 0.00 175.30 174.91 2a3x s ALA 46 N -3.30 2.56 -0.04 7.88 0.00 -1.24 -4.83 121.76 122.80 2a3x s ALA 46 Ca 0.61 0.86 -0.27 0.00 0.00 0.00 0.00 51.96 53.16 2a3x s ALA 46 Cb -0.10 -3.40 0.06 0.00 0.00 0.00 0.00 23.12 19.68 2a3x s ALA 46 CO 0.45 -1.09 0.59 1.52 0.00 0.00 0.00 175.76 177.24 2a3x s TYR 47 N -1.80 -0.55 -0.21 0.00 1.13 -0.71 -4.44 117.35 110.77 2a3x s TYR 47 Ca 0.74 0.91 -0.19 0.00 -1.41 0.00 0.00 57.07 57.12 2a3x s TYR 47 Cb -0.26 0.34 -0.03 0.00 -1.10 0.00 0.00 41.96 40.91 2a3x s TYR 47 CO 0.33 -0.57 0.53 0.45 -2.51 0.00 0.00 175.55 173.78 2a3x s SER 48 N -1.28 6.55 -0.11 -0.18 0.15 -0.72 -0.91 113.70 117.20 2a3x s SER 48 Ca -0.11 0.66 -0.25 0.00 0.70 0.00 0.00 55.95 56.95 2a3x s SER 48 Cb -0.01 -2.30 -0.22 0.00 -1.71 0.00 0.00 66.02 61.78 2a3x s SER 48 CO 0.08 -0.21 0.77 -0.07 1.20 0.00 0.00 173.24 175.01 2a3x h LEU 49 N 8.15 -0.01 -7.54 3.45 -0.00 -1.47 -3.42 115.31 114.47 2a3x h LEU 49 Ca -0.32 -0.79 -0.25 0.00 -0.00 0.00 0.00 57.88 56.53 2a3x h LEU 49 Cb 1.15 0.00 -0.31 0.00 -0.00 0.00 0.00 40.66 41.51 2a3x h LEU 49 CO 0.74 0.83 -0.65 0.12 -0.00 0.00 0.00 178.44 179.49 2a3x s PHE 50 N -2.53 -0.08 -0.13 1.13 5.36 -1.07 -4.49 117.98 116.17 2a3x s PHE 50 Ca -0.16 0.28 -0.00 0.00 -0.96 0.00 0.00 56.93 56.09 2a3x s PHE 50 Cb -0.02 -0.08 0.02 0.00 -0.34 0.00 0.00 43.02 42.60 2a3x s PHE 50 CO 0.61 -0.10 -0.10 0.45 -1.46 0.00 0.00 175.22 174.62 2a3x s SER 51 N 0.72 2.38 -0.23 6.13 0.15 -1.17 -1.74 113.70 119.94 2a3x s SER 51 Ca -0.06 -0.38 0.01 0.00 0.70 0.00 0.00 55.95 56.23 2a3x s SER 51 Cb -0.08 -0.96 0.05 0.00 -1.71 0.00 0.00 66.02 63.32 2a3x s SER 51 CO -0.03 -0.10 -0.08 -0.47 1.20 0.00 0.00 173.24 173.76 2a3x s TYR 52 N 1.63 2.62 0.03 3.44 6.14 0.03 -2.20 117.35 129.03 2a3x s TYR 52 Ca 0.05 -1.84 0.05 0.00 0.64 0.00 0.00 57.07 55.96 2a3x s TYR 52 Cb -0.13 -1.69 -0.02 0.00 0.42 0.00 0.00 41.96 40.55 2a3x s TYR 52 CO -0.09 -0.79 -0.14 -0.80 0.64 0.00 0.00 175.55 174.37 2a3x s ASN 53 N 1.32 1.65 0.45 4.32 -0.87 -1.19 -1.91 114.94 118.70 2a3x s ASN 53 Ca -0.05 -0.40 0.06 0.00 -1.57 0.00 0.00 52.86 50.90 2a3x s ASN 53 Cb -0.18 -0.13 -0.04 0.00 -0.02 0.00 0.00 41.25 40.88 2a3x s ASN 53 CO -0.07 0.07 0.15 0.42 -2.57 0.00 0.00 177.10 175.10 2a3x s THR 54 N -0.70 1.96 0.03 1.60 -4.23 -1.23 -1.02 115.64 112.05 2a3x s THR 54 Ca 0.03 -1.78 -0.30 0.00 -1.18 0.00 0.00 61.69 58.45 2a3x s THR 54 Cb -0.07 -2.74 -0.08 0.00 1.34 0.00 0.00 72.50 70.95 2a3x s THR 54 CO 0.01 0.00 1.71 -1.58 -0.54 0.00 0.00 174.62 174.21 2a3x s GLN 55 N -3.91 4.18 0.00 3.99 2.00 -1.26 -3.05 119.66 121.61 2a3x s GLN 55 Ca 0.33 2.34 0.00 0.00 -2.00 0.00 0.00 55.36 56.03 2a3x s GLN 55 Cb 0.04 -3.79 0.00 0.00 0.80 0.00 0.00 33.01 30.06 2a3x s GLN 55 CO 0.18 -0.80 0.00 0.41 -0.50 0.00 0.00 175.29 174.58 2a3x n GLY 56 N 4.12 2.00 2.83 2.59 0.00 -1.26 -5.00 105.19 110.48 2a3x n GLY 56 Ca 0.17 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.13 0.36 0.10 1.61 0.52 -1.17 -5.14 118.95 115.10 2a3x s ARG 57 Ca 0.00 0.05 -0.12 0.00 -0.52 0.00 0.00 55.73 55.14 2a3x s ARG 57 Cb 0.00 -0.51 -0.06 0.00 0.52 0.00 0.00 34.95 34.89 2a3x s ARG 57 CO 0.00 -0.12 0.46 0.34 0.02 0.00 0.00 175.30 176.00 2a3x s ASP 58 N 0.97 6.72 -1.15 0.23 2.15 -1.26 -3.55 116.67 120.78 2a3x s ASP 58 Ca -0.10 0.91 -0.12 0.00 0.43 0.00 0.00 52.55 53.67 2a3x s ASP 58 Cb -0.13 -2.22 -0.03 0.00 -0.30 0.00 0.00 42.92 40.24 2a3x s ASP 58 CO -0.01 0.15 0.81 0.59 -0.17 0.00 0.00 175.17 176.54 2a3x n ASN 59 N 0.91 -4.81 0.15 -0.34 4.13 -1.26 -3.83 115.26 110.21 2a3x n ASN 59 Ca -0.07 -0.88 0.00 0.00 1.68 0.00 0.00 54.58 55.31 2a3x n ASN 59 Cb 0.52 -4.11 0.23 0.00 -1.54 0.00 0.00 39.78 34.88 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 -1.64 0.00 -1.00 3.52 4.57 -1.74 0.80 114.58 119.10 2a3x h GLU 60 Ca -0.64 0.00 0.04 0.00 -1.18 0.00 0.00 59.36 57.58 2a3x h GLU 60 Cb 1.34 0.00 -0.21 0.00 -0.16 0.00 0.00 28.75 29.72 2a3x h GLU 60 CO 0.49 0.54 -0.36 -1.17 -1.18 0.00 0.00 179.01 177.32 2a3x s LEU 61 N -7.66 -1.60 -0.12 1.64 2.96 -0.80 -2.21 118.68 110.88 2a3x s LEU 61 Ca -0.01 0.28 -0.00 0.00 -0.22 0.00 0.00 54.13 54.18 2a3x s LEU 61 Cb 0.13 2.06 0.02 0.00 0.50 0.00 0.00 46.19 48.90 2a3x s LEU 61 CO 0.74 -0.29 -0.09 -0.22 -1.32 0.00 0.00 176.35 175.17 2a3x s LEU 62 N 2.83 1.31 -0.30 -0.68 2.96 -1.03 -0.79 118.68 122.98 2a3x s LEU 62 Ca 0.12 -0.34 -0.18 0.00 -0.22 0.00 0.00 54.13 53.50 2a3x s LEU 62 Cb -0.11 -0.92 -0.02 0.00 0.50 0.00 0.00 46.19 45.65 2a3x s LEU 62 CO -0.25 -0.10 0.52 -0.69 -1.32 0.00 0.00 176.35 174.50 2a3x s VAL 63 N 1.62 5.05 -0.02 1.68 1.01 -0.71 -0.36 120.40 128.66 2a3x s VAL 63 Ca 0.04 0.68 0.02 0.00 0.00 0.00 0.00 61.98 62.72 2a3x s VAL 63 Cb -0.13 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.38 2a3x s VAL 63 CO -0.08 -0.03 -0.08 -0.47 0.00 0.00 0.00 175.10 174.44 2a3x s TYR 64 N 2.35 0.84 -0.21 5.22 5.04 -0.00 -1.12 117.35 129.48 2a3x s TYR 64 Ca 0.20 -0.20 -0.13 0.00 -2.44 0.00 0.00 57.07 54.50 2a3x s TYR 64 Cb -0.15 -0.61 -0.04 0.00 0.35 0.00 0.00 41.96 41.50 2a3x s TYR 64 CO 0.11 -0.09 0.28 0.21 -1.34 0.00 0.00 175.55 174.71 2a3x s LYS 65 N 0.23 4.15 -0.14 4.97 2.20 -0.09 -0.29 119.74 130.77 2a3x s LYS 65 Ca -0.03 -0.02 -0.17 0.00 -0.36 0.00 0.00 55.97 55.38 2a3x s LYS 65 Cb -0.08 -3.51 -0.24 0.00 -1.51 0.00 0.00 37.83 32.48 2a3x s LYS 65 CO 0.00 0.07 0.44 0.93 -0.36 0.00 0.00 175.35 176.43 2a3x h GLU 66 N 7.27 0.15 0.00 4.03 4.39 -1.84 -1.88 114.58 126.70 2a3x h GLU 66 Ca -0.38 -0.26 0.03 0.00 0.34 0.00 0.00 59.36 59.10 2a3x h GLU 66 Cb 1.16 0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.91 2a3x h GLU 66 CO 0.70 1.12 0.37 2.89 -1.16 0.00 0.00 179.01 182.94 2a3x n ARG 67 N -4.08 0.94 -1.74 2.33 1.85 -1.26 -3.62 116.66 111.08 2a3x n ARG 67 Ca -0.27 -1.90 -0.42 0.00 -1.00 0.00 0.00 57.85 54.26 2a3x n ARG 67 Cb 0.82 2.43 -0.03 0.00 -1.05 0.00 0.00 32.46 34.63 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 -2.11 3.15 0.00 8.89 1.01 -1.26 -1.90 120.40 128.18 2a3x s VAL 68 Ca 0.18 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.33 2a3x s VAL 68 Cb -0.04 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.20 2a3x s VAL 68 CO 0.09 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.76 2a3x n GLY 69 N 4.80 0.19 3.31 4.51 0.00 -1.26 -4.99 105.19 111.75 2a3x n GLY 69 Ca 0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.97 3.27 -0.04 1.61 2.02 -0.80 -0.61 118.70 123.19 2a3x s GLU 70 Ca 0.00 -0.75 0.02 0.00 0.02 0.00 0.00 54.97 54.26 2a3x s GLU 70 Cb 0.00 -2.52 0.01 0.00 0.10 0.00 0.00 34.13 31.72 2a3x s GLU 70 CO 0.00 0.19 -0.09 0.71 0.02 0.00 0.00 175.26 176.09 2a3x s TYR 71 N 0.37 1.01 0.01 1.61 2.02 -0.73 -3.36 117.35 118.28 2a3x s TYR 71 Ca -0.13 -0.29 0.07 0.00 -0.37 0.00 0.00 57.07 56.35 2a3x s TYR 71 Cb -0.17 -0.75 -0.02 0.00 -0.40 0.00 0.00 41.96 40.62 2a3x s TYR 71 CO 0.06 -0.15 -0.21 -1.12 -1.57 0.00 0.00 175.55 172.57 2a3x s SER 72 N 0.42 2.46 -0.07 2.29 0.01 0.60 -1.59 113.70 117.83 2a3x s SER 72 Ca -0.07 -0.43 0.04 0.00 1.31 0.00 0.00 55.95 56.80 2a3x s SER 72 Cb -0.11 -0.25 -0.02 0.00 0.21 0.00 0.00 66.02 65.86 2a3x s SER 72 CO 0.01 0.22 -0.20 -0.22 0.41 0.00 0.00 173.24 173.46 2a3x s LEU 73 N -0.76 2.37 -0.16 2.44 2.96 -0.68 -0.82 118.68 124.03 2a3x s LEU 73 Ca 0.08 -0.39 -0.04 0.00 -0.22 0.00 0.00 54.13 53.56 2a3x s LEU 73 Cb -0.08 -1.47 -0.03 0.00 0.50 0.00 0.00 46.19 45.12 2a3x s LEU 73 CO 0.00 0.26 -0.03 -0.31 -1.32 0.00 0.00 176.35 174.95 2a3x s TYR 74 N -0.26 3.02 -0.39 5.38 1.51 0.51 -1.79 117.35 125.34 2a3x s TYR 74 Ca 0.00 -0.33 0.03 0.00 -1.01 0.00 0.00 57.07 55.76 2a3x s TYR 74 Cb -0.13 -1.98 0.11 0.00 -0.11 0.00 0.00 41.96 39.85 2a3x s TYR 74 CO 0.03 -0.07 0.13 0.42 -1.11 0.00 0.00 175.55 174.94 2a3x s ILE 75 N 0.46 2.00 -0.86 2.71 -1.09 -0.50 -2.48 121.20 121.45 2a3x s ILE 75 Ca -0.03 -2.43 -0.05 0.00 -2.23 0.00 0.00 60.65 55.91 2a3x s ILE 75 Cb -0.14 -2.45 -0.06 0.00 -1.58 0.00 0.00 42.46 38.23 2a3x s ILE 75 CO 0.03 -0.69 0.75 0.61 -1.23 0.00 0.00 174.94 174.41 2a3x n GLY 76 N 4.01 -0.78 4.28 6.18 0.00 -0.94 -3.15 105.19 114.79 2a3x n GLY 76 Ca 0.04 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 -2.93 0.00 -2.61 1.61 1.74 0.24 -4.96 116.66 109.75 2a3x n ARG 77 Ca -0.06 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.64 2a3x n ARG 77 Cb 0.60 -0.61 -0.05 0.00 -1.02 0.00 0.00 32.46 31.38 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 -0.04 3.48 0.04 -1.55 3.76 -1.19 -5.05 115.29 114.75 2a3x s HIS 78 Ca 0.00 1.71 0.09 0.00 -0.15 0.00 0.00 55.06 56.70 2a3x s HIS 78 Cb 0.00 -3.10 -0.03 0.00 1.11 0.00 0.00 32.58 30.57 2a3x s HIS 78 CO 0.00 -0.32 -0.25 0.21 -0.85 0.00 0.00 174.74 173.53 2a3x s LYS 79 N -2.09 1.73 0.04 1.40 2.20 -1.26 -1.41 119.74 120.35 2a3x s LYS 79 Ca 0.52 -1.05 0.04 0.00 -0.36 0.00 0.00 55.97 55.13 2a3x s LYS 79 Cb -0.23 -1.86 -0.02 0.00 -1.51 0.00 0.00 37.83 34.20 2a3x s LYS 79 CO 0.29 0.48 -0.12 0.14 -0.36 0.00 0.00 175.35 175.78 2a3x s VAL 80 N -0.78 0.97 -0.04 4.02 -7.23 -0.74 -5.01 120.40 111.59 2a3x s VAL 80 Ca 0.11 -1.01 -0.01 0.00 -1.81 0.00 0.00 61.98 59.26 2a3x s VAL 80 Cb -0.10 -0.91 0.03 0.00 0.56 0.00 0.00 36.38 35.96 2a3x s VAL 80 CO 0.02 -0.09 0.02 -0.89 -0.31 0.00 0.00 175.10 173.85 2a3x s THR 81 N -0.95 0.12 0.10 5.32 2.01 -1.26 -1.69 115.64 119.30 2a3x s THR 81 Ca -0.01 0.22 0.10 0.00 0.31 0.00 0.00 61.69 62.31 2a3x s THR 81 Cb -0.08 -0.29 -0.04 0.00 0.01 0.00 0.00 72.50 72.10 2a3x s THR 81 CO 0.01 0.19 -0.26 -0.44 -0.69 0.00 0.00 174.62 173.43 2a3x s SER 82 N 1.68 3.19 0.19 3.53 0.01 -0.62 -4.99 113.70 116.69 2a3x s SER 82 Ca -0.01 -0.69 0.07 0.00 1.31 0.00 0.00 55.95 56.63 2a3x s SER 82 Cb -0.13 -0.23 -0.04 0.00 0.21 0.00 0.00 66.02 65.83 2a3x s SER 82 CO -0.03 0.19 0.03 -0.54 0.41 0.00 0.00 173.24 173.30 2a3x s LYS 83 N -1.79 2.49 -0.01 12.44 1.02 -1.26 -1.78 119.74 130.85 2a3x s LYS 83 Ca 0.13 -1.11 -0.28 0.00 0.02 0.00 0.00 55.97 54.73 2a3x s LYS 83 Cb -0.10 -2.39 0.06 0.00 -0.52 0.00 0.00 37.83 34.89 2a3x s LYS 83 CO 0.05 0.45 0.62 0.54 -0.92 0.00 0.00 175.35 176.08 2a3x s VAL 84 N -1.82 0.01 -0.05 3.17 0.11 0.22 -4.71 120.40 117.33 2a3x s VAL 84 Ca 0.29 -0.07 -0.30 0.00 -2.93 0.00 0.00 61.98 58.97 2a3x s VAL 84 Cb -0.09 -0.96 -0.03 0.00 -1.53 0.00 0.00 36.38 33.76 2a3x s VAL 84 CO 0.20 -0.04 1.17 -0.63 -3.33 0.00 0.00 175.10 172.47 2a3x s ILE 85 N -1.60 4.32 0.01 7.04 1.01 -1.26 -4.43 121.20 126.29 2a3x s ILE 85 Ca -0.09 1.64 -0.09 0.00 0.00 0.00 0.00 60.65 62.10 2a3x s ILE 85 Cb -0.01 -4.05 0.00 0.00 0.01 0.00 0.00 42.46 38.42 2a3x s ILE 85 CO 0.06 0.02 0.18 -1.83 0.00 0.00 0.00 174.94 173.37 2a3x s GLU 86 N 2.03 0.58 0.39 2.79 -1.05 -1.26 -5.07 118.70 117.11 2a3x s GLU 86 Ca 0.55 -0.46 -0.24 0.00 -0.15 0.00 0.00 54.97 54.67 2a3x s GLU 86 Cb -0.24 0.24 -0.09 0.00 -0.44 0.00 0.00 34.13 33.60 2a3x s GLU 86 CO 0.22 -0.15 1.03 0.15 0.95 0.00 0.00 175.26 177.46 2a3x s LYS 87 N -1.80 4.23 -0.08 -4.83 1.02 -1.26 -4.90 119.74 112.13 2a3x s LYS 87 Ca -0.11 1.47 -0.01 0.00 0.02 0.00 0.00 55.97 57.34 2a3x s LYS 87 Cb -0.05 -2.57 0.03 0.00 -0.52 0.00 0.00 37.83 34.72 2a3x s LYS 87 CO 0.00 -0.08 -0.02 0.12 -0.92 0.00 0.00 175.35 174.45 2a3x s PHE 88 N -1.67 0.85 0.51 3.18 5.36 -1.26 -3.57 117.98 121.38 2a3x s PHE 88 Ca 0.57 -0.29 -0.05 0.00 -0.96 0.00 0.00 56.93 56.19 2a3x s PHE 88 Cb -0.21 -0.88 -0.03 0.00 -0.34 0.00 0.00 43.02 41.57 2a3x s PHE 88 CO 0.27 -0.35 0.82 -1.25 -1.46 0.00 0.00 175.22 173.24 2a3x s PRO 89 N 1.79 3.42 -0.24 10.12 0.04 -1.26 -5.19 135.00 143.68 2a3x s PRO 89 Ca 0.03 0.17 -0.26 0.00 0.04 0.00 0.00 61.00 60.98 2a3x s PRO 89 Cb -0.13 -2.34 0.11 0.00 0.04 0.00 0.00 34.50 32.18 2a3x s PRO 89 CO -0.05 -0.32 0.95 0.00 0.04 0.00 0.00 177.00 177.62 2a3x s ALA 90 N -2.81 -1.92 0.36 8.56 0.00 -1.23 -5.12 121.76 119.60 2a3x s ALA 90 Ca 0.49 1.82 -0.28 0.00 0.00 0.00 0.00 51.96 53.98 2a3x s ALA 90 Cb -0.10 -1.18 -0.11 0.00 0.00 0.00 0.00 23.12 21.73 2a3x s ALA 90 CO 0.45 -0.27 1.51 -2.14 0.00 0.00 0.00 175.76 175.31 2a3x s PRO 91 N -0.07 4.11 0.10 0.00 0.02 -1.26 -4.63 135.00 133.27 2a3x s PRO 91 Ca 0.01 2.58 0.06 0.00 0.02 0.00 0.00 61.00 63.66 2a3x s PRO 91 Cb -0.04 -2.98 -0.03 0.00 0.02 0.00 0.00 34.50 31.47 2a3x s PRO 91 CO -0.03 -0.56 -0.15 0.54 -0.33 0.00 0.00 177.00 176.48 2a3x s VAL 92 N -0.88 1.30 -0.17 3.83 0.11 0.96 -4.98 120.40 120.56 2a3x s VAL 92 Ca 0.55 -1.54 -0.00 0.00 -2.93 0.00 0.00 61.98 58.06 2a3x s VAL 92 Cb -0.47 -1.36 0.04 0.00 -1.53 0.00 0.00 36.38 33.07 2a3x s VAL 92 CO 0.60 -0.30 -0.06 -2.28 -3.33 0.00 0.00 175.10 169.74 2a3x s HIS 93 N -1.68 1.83 -0.25 1.54 5.04 -1.26 -0.49 115.29 120.01 2a3x s HIS 93 Ca 0.04 -1.18 -0.04 0.00 -1.54 0.00 0.00 55.06 52.34 2a3x s HIS 93 Cb -0.08 -1.37 0.01 0.00 0.04 0.00 0.00 32.58 31.18 2a3x s HIS 93 CO 0.03 -0.64 -0.01 0.42 -2.34 0.00 0.00 174.74 172.20 2a3x s ILE 94 N 1.59 3.41 -0.11 0.89 1.01 -0.81 -0.60 121.20 126.58 2a3x s ILE 94 Ca 0.00 -0.74 -0.01 0.00 0.00 0.00 0.00 60.65 59.91 2a3x s ILE 94 Cb -0.16 -2.68 -0.03 0.00 0.01 0.00 0.00 42.46 39.61 2a3x s ILE 94 CO -0.08 0.23 -0.08 0.00 0.00 0.00 0.00 174.94 175.02 2a3x s VAL 96 N -0.17 0.00 -0.02 0.00 0.11 -0.24 0.04 120.40 120.13 2a3x s VAL 96 Ca 0.02 0.10 0.04 0.00 -2.93 0.00 0.00 61.98 59.21 2a3x s VAL 96 Cb -0.13 -0.08 -0.01 0.00 -1.53 0.00 0.00 36.38 34.64 2a3x s VAL 96 CO 0.03 0.06 -0.14 -0.94 -3.33 0.00 0.00 175.10 170.78 2a3x s SER 97 N 0.59 1.73 -0.11 3.54 1.04 -0.63 -0.21 113.70 119.65 2a3x s SER 97 Ca -0.05 -0.27 0.01 0.00 0.48 0.00 0.00 55.95 56.12 2a3x s SER 97 Cb -0.07 -0.34 0.02 0.00 0.10 0.00 0.00 66.02 65.72 2a3x s SER 97 CO -0.02 0.14 -0.12 0.86 0.98 0.00 0.00 173.24 175.09 2a3x s TRP 98 N -0.10 1.70 -0.24 5.02 -0.00 -1.11 0.06 118.94 124.27 2a3x s TRP 98 Ca 0.01 -0.81 -0.10 0.00 -0.00 0.00 0.00 56.10 55.19 2a3x s TRP 98 Cb -0.08 -1.30 -0.05 0.00 -0.00 0.00 0.00 33.47 32.04 2a3x s TRP 98 CO 0.00 -0.47 0.15 -2.00 -0.00 0.00 0.00 176.95 174.63 2a3x s GLU 99 N 1.26 4.01 0.29 5.86 2.12 -0.97 -3.33 118.70 127.94 2a3x s GLU 99 Ca -0.02 -0.30 0.07 0.00 0.36 0.00 0.00 54.97 55.08 2a3x s GLU 99 Cb -0.14 -3.51 0.43 0.00 0.26 0.00 0.00 34.13 31.17 2a3x s GLU 99 CO -0.04 0.03 1.67 1.03 -0.54 0.00 0.00 175.26 177.41 2a3x h SER 100 N 7.62 0.19 0.66 -1.70 0.87 -1.83 0.76 113.55 120.12 2a3x h SER 100 Ca -0.37 -0.09 -0.14 0.00 -1.23 0.00 0.00 61.79 59.96 2a3x h SER 100 Cb 1.17 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 63.06 2a3x h SER 100 CO 0.64 0.64 -0.67 0.28 -0.53 0.00 0.00 176.83 177.19 2a3x h SER 101 N 0.15 0.01 0.00 6.23 0.02 -1.92 0.79 113.55 118.83 2a3x h SER 101 Ca 0.01 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2a3x h SER 101 Cb 0.89 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.43 2a3x h SER 101 CO 0.07 0.68 -0.07 -1.54 -1.14 0.00 0.00 176.83 174.83 2a3x n SER 102 N -3.74 0.30 0.00 3.07 3.41 -1.19 -4.73 113.62 110.73 2a3x n SER 102 Ca -0.01 -0.48 0.00 0.00 -0.26 0.00 0.00 58.87 58.12 2a3x n SER 102 Cb 0.66 1.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.61 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 1.09 0.74 3.62 5.00 0.00 0.26 -4.81 105.19 111.10 2a3x n GLY 103 Ca 0.00 0.00 -0.43 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 -3.17 3.62 -0.20 -0.61 -1.09 -1.17 -1.60 121.20 116.98 2a3x s ILE 104 Ca 0.00 0.69 -0.21 0.00 -2.23 0.00 0.00 60.65 58.90 2a3x s ILE 104 Cb 0.00 -3.68 -0.02 0.00 -1.58 0.00 0.00 42.46 37.18 2a3x s ILE 104 CO 0.00 -0.32 0.64 0.00 -1.23 0.00 0.00 174.94 174.03 2a3x s ALA 105 N 5.61 3.54 -0.34 9.38 0.00 0.26 -2.28 121.76 137.92 2a3x s ALA 105 Ca 0.74 -0.26 0.02 0.00 0.00 0.00 0.00 51.96 52.46 2a3x s ALA 105 Cb -0.25 -2.99 0.09 0.00 0.00 0.00 0.00 23.12 19.98 2a3x s ALA 105 CO 0.31 -0.56 0.06 -2.00 0.00 0.00 0.00 175.76 173.56 2a3x s GLU 106 N 1.93 1.81 -0.10 0.00 2.12 0.11 -1.60 118.70 122.97 2a3x s GLU 106 Ca 0.29 -1.73 -0.15 0.00 0.36 0.00 0.00 54.97 53.74 2a3x s GLU 106 Cb -0.16 -3.26 -0.05 0.00 0.26 0.00 0.00 34.13 30.93 2a3x s GLU 106 CO 0.10 -0.89 0.37 -0.06 -0.54 0.00 0.00 175.26 174.25 2a3x s PHE 107 N 1.02 3.56 -0.26 5.30 0.08 -1.26 -1.60 117.98 124.82 2a3x s PHE 107 Ca 0.06 0.80 -0.01 0.00 0.12 0.00 0.00 56.93 57.90 2a3x s PHE 107 Cb -0.20 -2.37 0.08 0.00 -0.57 0.00 0.00 43.02 39.96 2a3x s PHE 107 CO -0.06 0.36 0.05 -1.58 -0.10 0.00 0.00 175.22 173.90 2a3x s TRP 108 N -0.02 1.69 -0.33 0.36 0.52 0.11 -0.12 118.94 121.15 2a3x s TRP 108 Ca 0.21 -1.52 -0.14 0.00 0.02 0.00 0.00 56.10 54.67 2a3x s TRP 108 Cb -0.15 -1.53 -0.02 0.00 -1.15 0.00 0.00 33.47 30.63 2a3x s TRP 108 CO 0.09 -0.78 0.33 0.42 0.02 0.00 0.00 176.95 177.02 2a3x s ILE 109 N 1.63 5.20 -1.46 2.03 -1.09 -0.60 -1.10 121.20 125.80 2a3x s ILE 109 Ca 0.04 0.07 -0.06 0.00 -2.23 0.00 0.00 60.65 58.47 2a3x s ILE 109 Cb -0.18 -3.76 0.04 0.00 -1.58 0.00 0.00 42.46 36.99 2a3x s ILE 109 CO -0.16 -0.02 0.64 0.59 -1.23 0.00 0.00 174.94 174.76 2a3x n ASN 110 N 5.30 -1.79 -0.27 3.58 3.02 0.23 -1.90 115.26 123.43 2a3x n ASN 110 Ca -0.10 -0.93 -0.03 0.00 -0.03 0.00 0.00 54.58 53.48 2a3x n ASN 110 Cb 0.50 -3.34 -0.01 0.00 -0.61 0.00 0.00 39.78 36.32 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 -1.75 0.63 3.27 7.41 0.00 -1.26 -5.01 105.19 108.47 2a3x n GLY 111 Ca -0.18 -0.38 -0.33 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.97 2.50 -0.06 2.61 2.01 -0.80 -4.99 115.64 114.95 2a3x s THR 112 Ca 0.00 -0.84 -0.30 0.00 0.31 0.00 0.00 61.69 60.86 2a3x s THR 112 Cb 0.00 -2.02 -0.03 0.00 0.01 0.00 0.00 72.50 70.46 2a3x s THR 112 CO 0.00 0.53 1.10 -2.16 -0.69 0.00 0.00 174.62 173.40 2a3x s PRO 113 N 0.56 4.41 0.49 4.92 0.04 -1.26 -1.56 135.00 142.60 2a3x s PRO 113 Ca -0.11 1.54 -0.05 0.00 0.04 0.00 0.00 61.00 62.42 2a3x s PRO 113 Cb -0.16 -3.52 -0.03 0.00 0.04 0.00 0.00 34.50 30.83 2a3x s PRO 113 CO 0.04 -0.33 0.79 -0.51 0.04 0.00 0.00 177.00 177.03 2a3x s LEU 114 N 1.88 3.58 -0.14 -3.56 1.43 0.83 -4.98 118.68 117.72 2a3x s LEU 114 Ca 0.53 0.86 -0.35 0.00 -1.03 0.00 0.00 54.13 54.13 2a3x s LEU 114 Cb -0.22 -3.79 -0.12 0.00 0.03 0.00 0.00 46.19 42.09 2a3x s LEU 114 CO 0.22 -0.65 1.87 0.52 0.23 0.00 0.00 176.35 178.54 2a3x n VAL 115 N -2.29 0.51 -1.76 -1.59 0.31 -1.26 -4.45 118.33 107.79 2a3x n VAL 115 Ca 0.01 -0.10 -0.41 0.00 -0.01 0.00 0.00 64.34 63.82 2a3x n VAL 115 Cb 0.56 -1.74 -0.01 0.00 -0.91 0.00 0.00 33.84 31.74 2a3x n VAL 115 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2a3x n LYS 116 N 6.49 2.67 -4.68 5.55 5.02 -1.26 -4.83 118.16 127.12 2a3x n LYS 116 Ca 0.24 0.94 -0.30 0.00 -2.02 0.00 0.00 58.31 57.17 2a3x n LYS 116 Cb 0.26 -2.68 -0.09 0.00 -0.02 0.00 0.00 35.03 32.49 2a3x n LYS 116 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2a3x s LYS 117 N -1.58 2.06 -0.10 1.97 -0.14 -0.63 -4.96 119.74 116.36 2a3x s LYS 117 Ca 0.57 -2.26 -0.08 0.00 -1.36 0.00 0.00 55.97 52.84 2a3x s LYS 117 Cb -0.48 -1.46 0.03 0.00 -1.68 0.00 0.00 37.83 34.24 2a3x s LYS 117 CO 0.59 -0.25 0.26 0.20 -0.76 0.00 0.00 175.35 175.38 2a3x s GLY 118 N -3.78 -0.19 -0.18 -3.33 0.00 -1.26 0.91 107.32 99.50 2a3x s GLY 118 Ca 0.19 0.80 -0.28 0.00 0.00 0.00 0.00 44.72 45.43 2a3x s GLY 118 CO 0.10 0.78 0.79 0.48 0.00 0.00 0.00 173.10 175.25 2a3x s LEU 119 N 0.40 -0.62 -0.99 0.66 2.34 -0.63 -4.98 118.68 114.86 2a3x s LEU 119 Ca -0.02 0.97 -0.09 0.00 0.06 0.00 0.00 54.13 55.05 2a3x s LEU 119 Cb -0.04 2.32 -0.03 0.00 -0.56 0.00 0.00 46.19 47.89 2a3x s LEU 119 CO -0.02 -0.37 0.81 0.54 -1.06 0.00 0.00 176.35 176.25 2a3x n ARG 120 N 1.73 -1.66 -2.40 1.48 5.12 -1.26 -4.56 116.66 115.11 2a3x n ARG 120 Ca -0.15 0.89 -0.42 0.00 -1.93 0.00 0.00 57.85 56.24 2a3x n ARG 120 Cb 0.56 -5.06 -0.03 0.00 -1.16 0.00 0.00 32.46 26.77 2a3x n ARG 120 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 2a3x s GLN 121 N -4.58 4.45 -0.49 5.56 0.74 -1.26 -3.09 119.66 120.99 2a3x s GLN 121 Ca 0.33 1.81 0.00 0.00 0.05 0.00 0.00 55.36 57.54 2a3x s GLN 121 Cb -0.08 -3.31 0.00 0.00 1.10 0.00 0.00 33.01 30.72 2a3x s GLN 121 CO 0.79 -0.21 0.00 0.41 -0.55 0.00 0.00 175.29 175.73 2a3x n GLY 122 N 2.96 0.17 3.55 2.59 0.00 0.27 -5.04 105.19 109.69 2a3x n GLY 122 Ca 0.08 -0.66 -0.31 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.28 2.73 -0.19 1.61 6.14 -1.18 -5.09 117.35 119.09 2a3x s TYR 123 Ca 0.00 -0.15 -0.03 0.00 0.64 0.00 0.00 57.07 57.53 2a3x s TYR 123 Cb 0.00 -1.49 -0.01 0.00 0.42 0.00 0.00 41.96 40.88 2a3x s TYR 123 CO 0.00 0.36 -0.07 -0.06 0.64 0.00 0.00 175.55 176.42 2a3x s PHE 124 N -1.07 2.92 0.19 4.97 0.08 -1.26 -4.77 117.98 119.04 2a3x s PHE 124 Ca 0.18 -0.85 -0.31 0.00 0.12 0.00 0.00 56.93 56.08 2a3x s PHE 124 Cb -0.11 -2.02 -0.09 0.00 -0.57 0.00 0.00 43.02 40.22 2a3x s PHE 124 CO 0.09 -0.44 1.42 0.54 -0.10 0.00 0.00 175.22 176.74 2a3x s VAL 125 N 1.11 2.92 0.43 -0.44 0.11 -1.02 -4.80 120.40 118.72 2a3x s VAL 125 Ca 0.01 0.72 -0.23 0.00 -2.93 0.00 0.00 61.98 59.55 2a3x s VAL 125 Cb -0.15 -3.46 -0.09 0.00 -1.53 0.00 0.00 36.38 31.16 2a3x s VAL 125 CO -0.01 0.09 1.06 -1.61 -3.33 0.00 0.00 175.10 171.29 2a3x s GLU 126 N 0.29 4.04 0.98 1.54 0.41 -1.26 -0.51 118.70 124.19 2a3x s GLU 126 Ca 0.62 1.49 -0.17 0.00 -0.41 0.00 0.00 54.97 56.50 2a3x s GLU 126 Cb -0.40 -2.42 0.23 0.00 -1.78 0.00 0.00 34.13 29.76 2a3x s GLU 126 CO 0.37 -0.25 1.34 0.00 -0.49 0.00 0.00 175.26 176.23 2a3x n ALA 127 N -0.33 -1.56 -3.34 5.21 0.00 -1.26 -4.64 120.51 114.59 2a3x n ALA 127 Ca 0.06 -1.74 -0.13 0.00 0.00 0.00 0.00 53.44 51.63 2a3x n ALA 127 Cb 0.50 -0.09 0.02 0.00 0.00 0.00 0.00 19.45 19.89 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 -3.84 -1.51 -3.21 0.00 6.02 -1.26 -4.85 117.38 108.73 2a3x n GLN 128 Ca 0.17 1.06 -0.23 0.00 -0.01 0.00 0.00 57.00 57.99 2a3x n GLN 128 Cb 0.58 -4.90 0.00 0.00 1.02 0.00 0.00 30.24 26.94 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 -4.16 3.23 -0.27 -1.09 0.04 -1.26 -4.52 135.00 126.98 2a3x s PRO 129 Ca 0.18 -0.50 0.02 0.00 0.04 0.00 0.00 61.00 60.74 2a3x s PRO 129 Cb -0.04 -2.63 0.07 0.00 0.04 0.00 0.00 34.50 31.93 2a3x s PRO 129 CO 0.79 -0.06 -0.04 0.21 0.04 0.00 0.00 177.00 177.94 2a3x s LYS 130 N -4.41 1.77 -0.21 4.56 2.47 -0.19 -4.89 119.74 118.84 2a3x s LYS 130 Ca 0.45 -1.32 -0.12 0.00 -1.56 0.00 0.00 55.97 53.42 2a3x s LYS 130 Cb -0.10 -2.80 -0.05 0.00 -1.46 0.00 0.00 37.83 33.43 2a3x s LYS 130 CO 0.36 -0.68 0.23 0.42 0.16 0.00 0.00 175.35 175.83 2a3x s ILE 131 N 1.19 5.33 0.18 5.43 1.09 -1.24 -3.20 121.20 129.97 2a3x s ILE 131 Ca -0.03 0.35 0.10 0.00 -1.10 0.00 0.00 60.65 59.98 2a3x s ILE 131 Cb -0.19 -3.56 -0.04 0.00 -1.06 0.00 0.00 42.46 37.60 2a3x s ILE 131 CO -0.07 0.35 -0.19 0.68 -0.10 0.00 0.00 174.94 175.60 2a3x s VAL 132 N 0.90 2.63 -0.07 2.92 -7.23 -0.93 -0.35 120.40 118.27 2a3x s VAL 132 Ca 0.11 -1.87 0.01 0.00 -1.81 0.00 0.00 61.98 58.43 2a3x s VAL 132 Cb -0.13 -2.27 0.02 0.00 0.56 0.00 0.00 36.38 34.56 2a3x s VAL 132 CO 0.04 -0.09 -0.08 -0.22 -0.31 0.00 0.00 175.10 174.45 2a3x s LEU 133 N -2.64 1.38 0.00 1.32 2.96 0.52 -3.02 118.68 119.20 2a3x s LEU 133 Ca 0.21 -0.23 0.00 0.00 -0.22 0.00 0.00 54.13 53.90 2a3x s LEU 133 Cb -0.08 -0.67 0.00 0.00 0.50 0.00 0.00 46.19 45.93 2a3x s LEU 133 CO 0.11 -0.04 0.00 0.61 -1.32 0.00 0.00 176.35 175.71 2a3x n GLY 134 N 4.20 0.34 3.33 7.98 0.00 -1.26 -0.05 105.19 119.72 2a3x n GLY 134 Ca -0.21 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.94 1.47 -0.17 1.61 -1.52 -1.26 -2.00 119.66 116.85 2a3x s GLN 135 Ca 0.00 -1.81 0.01 0.00 -1.95 0.00 0.00 55.36 51.61 2a3x s GLN 135 Cb 0.00 -0.28 0.02 0.00 -0.22 0.00 0.00 33.01 32.53 2a3x s GLN 135 CO 0.00 -0.32 -0.18 -2.00 -0.25 0.00 0.00 175.29 172.54 2a3x s GLU 136 N -3.98 2.80 0.12 2.91 -6.30 -1.26 -4.66 118.70 108.33 2a3x s GLU 136 Ca 0.37 -0.76 -0.30 0.00 -2.50 0.00 0.00 54.97 51.79 2a3x s GLU 136 Cb 0.07 -2.44 -0.06 0.00 0.00 0.00 0.00 34.13 31.70 2a3x s GLU 136 CO 0.14 -0.22 0.96 -0.65 0.02 0.00 0.00 175.26 175.51 2a3x s GLN 137 N 1.34 4.71 0.00 4.30 -0.21 -1.26 -4.21 119.66 124.33 2a3x s GLN 137 Ca 0.05 1.45 0.00 0.00 0.02 0.00 0.00 55.36 56.88 2a3x s GLN 137 Cb -0.13 -3.37 0.00 0.00 1.00 0.00 0.00 33.01 30.51 2a3x s GLN 137 CO -0.12 0.24 0.00 -0.25 -2.12 0.00 0.00 175.29 173.03 2a3x n ASP 138 N 2.70 4.81 -1.98 5.90 8.00 -0.87 -4.70 116.55 130.41 2a3x n ASP 138 Ca 0.02 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.52 2a3x n ASP 138 Cb 0.49 0.96 0.00 0.00 -0.02 0.00 0.00 41.12 42.55 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 -1.45 1.91 -4.56 -2.24 3.41 -0.95 -4.84 113.62 104.90 2a3x n SER 139 Ca 0.00 -0.99 -0.39 0.00 -0.26 0.00 0.00 58.87 57.23 2a3x n SER 139 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 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 -0.89 2.38 0.00 7.33 5.04 -1.26 -3.60 117.35 126.35 2a3x s TYR 140 Ca 0.00 -0.52 0.00 0.00 -2.44 0.00 0.00 57.07 54.11 2a3x s TYR 140 Cb 0.00 -4.59 0.00 0.00 0.35 0.00 0.00 41.96 37.72 2a3x s TYR 140 CO 0.00 -1.93 0.00 0.41 -1.34 0.00 0.00 175.55 172.69 2a3x n GLY 141 N 6.71 0.48 0.00 8.97 0.00 -1.26 -5.00 105.19 115.08 2a3x n GLY 141 Ca 0.31 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.92 3.42 3.02 -0.02 0.00 -1.24 -5.05 105.19 102.39 2a3x n GLY 142 Ca 0.00 -1.15 -0.15 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.24 -4.08 1.61 4.76 -1.26 -2.04 118.16 114.91 2a3x n LYS 143 Ca 0.00 1.93 -0.25 0.00 -2.87 0.00 0.00 58.31 57.12 2a3x n LYS 143 Cb 0.00 -4.81 -0.05 0.00 -1.84 0.00 0.00 35.03 28.33 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 -2.37 3.18 -0.12 2.13 0.08 -1.26 -2.33 117.98 117.29 2a3x s PHE 144 Ca 0.27 -0.04 -0.01 0.00 0.12 0.00 0.00 56.93 57.28 2a3x s PHE 144 Cb -0.06 -1.49 -0.02 0.00 -0.57 0.00 0.00 43.02 40.87 2a3x s PHE 144 CO 0.80 0.52 -0.09 0.34 -0.10 0.00 0.00 175.22 176.68 2a3x s ASP 145 N -3.39 4.37 0.24 1.36 -1.08 -1.26 -5.01 116.67 111.90 2a3x s ASP 145 Ca 0.32 -0.20 0.00 0.00 -0.52 0.00 0.00 52.55 52.15 2a3x s ASP 145 Cb -0.09 -1.53 0.28 0.00 -1.46 0.00 0.00 42.92 40.11 2a3x s ASP 145 CO 0.25 0.21 1.63 -0.09 0.52 0.00 0.00 175.17 177.69 2a3x h ARG 146 N 6.36 0.50 -0.08 4.34 2.43 -1.93 -3.01 114.38 122.98 2a3x h ARG 146 Ca -0.33 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 58.60 2a3x h ARG 146 Cb 1.19 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 2a3x h ARG 146 CO 0.57 0.80 0.00 -1.13 -1.51 0.00 0.00 179.97 178.70 2a3x n SER 147 N -4.04 0.54 0.00 -3.80 3.41 -1.26 -3.37 113.62 105.10 2a3x n SER 147 Ca -0.01 -1.76 0.00 0.00 -0.26 0.00 0.00 58.87 56.83 2a3x n SER 147 Cb 0.49 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 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 -0.31 2.38 -1.78 4.33 6.02 -1.17 -4.65 117.38 122.21 2a3x n GLN 148 Ca 0.09 -0.16 -0.36 0.00 -0.01 0.00 0.00 57.00 56.55 2a3x n GLN 148 Cb 0.12 -0.58 0.06 0.00 1.02 0.00 0.00 30.24 30.86 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 -0.39 4.69 -0.17 1.08 1.04 -1.15 -1.75 113.70 117.05 2a3x s SER 149 Ca 0.00 2.55 -0.14 0.00 0.48 0.00 0.00 55.95 58.85 2a3x s SER 149 Cb 0.00 -2.61 -0.05 0.00 0.10 0.00 0.00 66.02 63.46 2a3x s SER 149 CO 0.00 -1.94 0.29 0.12 0.98 0.00 0.00 173.24 172.69 2a3x s PHE 150 N -1.48 3.44 -0.13 5.02 5.36 -0.85 -4.72 117.98 124.62 2a3x s PHE 150 Ca 0.81 0.56 0.01 0.00 -0.96 0.00 0.00 56.93 57.34 2a3x s PHE 150 Cb -0.35 -2.35 0.02 0.00 -0.34 0.00 0.00 43.02 40.00 2a3x s PHE 150 CO 0.39 0.20 -0.15 0.54 -1.46 0.00 0.00 175.22 174.74 2a3x s VAL 151 N 0.60 1.56 -5.00 3.12 0.11 -1.26 -4.76 120.40 114.78 2a3x s VAL 151 Ca 0.16 -0.65 0.00 0.00 -2.93 0.00 0.00 61.98 58.56 2a3x s VAL 151 Cb -0.13 -1.45 0.00 0.00 -1.53 0.00 0.00 36.38 33.27 2a3x s VAL 151 CO 0.04 0.46 0.00 0.61 -3.33 0.00 0.00 175.10 172.87 2a3x n GLY 152 N 4.56 0.23 3.47 6.54 0.00 -1.02 -4.51 105.19 114.46 2a3x n GLY 152 Ca -0.18 -1.40 -0.31 0.00 0.00 0.00 0.00 46.02 44.13 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 2.18 -0.01 1.61 2.02 -0.19 -1.93 118.70 120.38 2a3x s GLU 153 Ca 0.00 -0.92 0.01 0.00 0.02 0.00 0.00 54.97 54.09 2a3x s GLU 153 Cb 0.00 -2.25 0.01 0.00 0.10 0.00 0.00 34.13 31.99 2a3x s GLU 153 CO 0.00 0.56 -0.04 0.42 0.02 0.00 0.00 175.26 176.22 2a3x s ILE 154 N -0.91 0.37 0.24 -1.63 1.01 0.33 -1.17 121.20 119.44 2a3x s ILE 154 Ca 0.15 -0.14 -0.07 0.00 0.00 0.00 0.00 60.65 60.59 2a3x s ILE 154 Cb -0.11 -0.35 0.03 0.00 0.01 0.00 0.00 42.46 42.04 2a3x s ILE 154 CO 0.05 0.13 0.43 0.61 0.00 0.00 0.00 174.94 176.16 2a3x n GLY 155 N 3.35 1.73 4.25 6.18 0.00 -0.88 0.32 105.19 120.14 2a3x n GLY 155 Ca -0.18 -1.28 -0.30 0.00 0.00 0.00 0.00 46.02 44.26 2a3x n GLY 155 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2a3x n ASP 156 N -1.48 0.56 -4.62 1.61 9.92 -1.26 -0.68 116.55 120.60 2a3x n ASP 156 Ca -0.04 -1.22 -0.40 0.00 -0.53 0.00 0.00 54.79 52.61 2a3x n ASP 156 Cb 0.37 -1.91 -0.08 0.00 -0.64 0.00 0.00 41.12 38.86 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 -7.30 4.05 -0.01 0.64 2.96 -1.26 -3.90 118.68 113.87 2a3x s LEU 157 Ca 0.04 0.53 0.02 0.00 -0.22 0.00 0.00 54.13 54.50 2a3x s LEU 157 Cb -0.02 -2.67 -0.00 0.00 0.50 0.00 0.00 46.19 44.00 2a3x s LEU 157 CO 0.98 -0.29 -0.06 -0.31 -1.32 0.00 0.00 176.35 175.34 2a3x s TYR 158 N 2.32 0.60 -0.07 5.38 2.02 0.35 -2.64 117.35 125.30 2a3x s TYR 158 Ca 0.21 -0.12 -0.00 0.00 -0.37 0.00 0.00 57.07 56.80 2a3x s TYR 158 Cb -0.16 -0.40 0.02 0.00 -0.40 0.00 0.00 41.96 41.03 2a3x s TYR 158 CO 0.09 -0.02 -0.04 1.41 -1.57 0.00 0.00 175.55 175.42 2a3x s MET 159 N -0.07 0.98 0.22 -0.62 1.75 0.23 -1.29 119.30 120.49 2a3x s MET 159 Ca 0.01 -0.08 0.07 0.00 -1.25 0.00 0.00 55.69 54.44 2a3x s MET 159 Cb -0.04 -1.13 -0.04 0.00 2.84 0.00 0.00 34.83 36.47 2a3x s MET 159 CO -0.00 -0.21 0.12 -1.58 -0.65 0.00 0.00 175.02 172.70 2a3x s TRP 160 N 1.54 3.03 -0.37 4.11 0.51 -0.76 -1.47 118.94 125.53 2a3x s TRP 160 Ca -0.01 -0.10 0.06 0.00 -2.12 0.00 0.00 56.10 53.93 2a3x s TRP 160 Cb -0.13 -1.40 0.57 0.00 -0.81 0.00 0.00 33.47 31.70 2a3x s TRP 160 CO -0.04 0.53 1.67 -0.40 -0.51 0.00 0.00 176.95 178.20 2a3x n ASP 161 N -0.73 3.96 -3.93 2.95 5.75 -1.26 -2.21 116.55 121.08 2a3x n ASP 161 Ca -0.08 -3.13 -0.09 0.00 -0.01 0.00 0.00 54.79 51.48 2a3x n ASP 161 Cb 0.57 -0.74 -0.09 0.00 -1.03 0.00 0.00 41.12 39.83 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 -0.77 0.19 -0.47 -1.12 1.04 -1.23 -4.40 113.70 106.93 2a3x s SER 162 Ca 0.45 -0.56 -0.28 0.00 0.48 0.00 0.00 55.95 56.03 2a3x s SER 162 Cb 0.37 0.23 0.01 0.00 0.10 0.00 0.00 66.02 66.74 2a3x s SER 162 CO 0.10 -0.53 1.40 -0.69 0.98 0.00 0.00 173.24 174.50 2a3x s VAL 163 N -2.77 3.87 -0.13 5.02 1.01 -1.26 -2.91 120.40 123.24 2a3x s VAL 163 Ca -0.04 0.84 -0.29 0.00 0.00 0.00 0.00 61.98 62.49 2a3x s VAL 163 Cb -0.00 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.04 2a3x s VAL 163 CO -0.05 -0.93 1.40 -0.22 0.00 0.00 0.00 175.10 175.30 2a3x s LEU 164 N 5.66 4.22 0.43 3.92 2.96 -1.26 -4.99 118.68 129.62 2a3x s LEU 164 Ca 0.57 1.87 -0.25 0.00 -0.22 0.00 0.00 54.13 56.10 2a3x s LEU 164 Cb -0.12 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 42.95 2a3x s LEU 164 CO 0.30 -0.83 1.32 -2.16 -1.32 0.00 0.00 176.35 173.66 2a3x s PRO 165 N 3.71 3.83 0.50 0.98 0.04 -1.26 -4.66 135.00 138.14 2a3x s PRO 165 Ca 0.61 2.18 0.39 0.00 0.04 0.00 0.00 61.00 64.22 2a3x s PRO 165 Cb -0.26 -2.67 1.34 0.00 0.04 0.00 0.00 34.50 32.95 2a3x s PRO 165 CO 0.20 -0.62 1.31 -2.30 0.04 0.00 0.00 177.00 175.64 2a3x n PRO 166 N -0.08 0.00 -0.04 0.56 -0.02 -1.26 -0.40 135.00 133.76 2a3x n PRO 166 Ca 0.05 0.94 -0.11 0.00 -2.02 0.00 0.00 63.50 62.36 2a3x n PRO 166 Cb 0.44 -2.22 -0.06 0.00 -0.02 0.00 0.00 33.50 31.64 2a3x n PRO 166 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2a3x h GLU 167 N 0.00 0.25 0.00 -0.52 3.07 -2.02 -3.08 114.58 112.28 2a3x h GLU 167 Ca 0.73 -0.06 -0.04 0.00 -0.50 0.00 0.00 59.36 59.49 2a3x h GLU 167 Cb 3.15 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 31.02 2a3x h GLU 167 CO -0.01 0.40 -0.18 -0.91 -1.40 0.00 0.00 179.01 176.91 2a3x h ASN 168 N 0.06 0.00 -0.08 1.42 2.35 -1.06 -3.09 115.58 115.18 2a3x h ASN 168 Ca 0.05 0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.83 2a3x h ASN 168 Cb 0.26 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.60 2a3x h ASN 168 CO 0.00 0.18 -0.09 0.40 -1.65 0.00 0.00 177.43 176.27 2a3x h ILE 169 N 0.00 0.75 -0.67 2.81 1.08 -1.45 -2.75 117.51 117.27 2a3x h ILE 169 Ca -0.00 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.44 2a3x h ILE 169 Cb 0.93 0.75 -0.03 0.00 -3.07 0.00 0.00 36.82 35.39 2a3x h ILE 169 CO 0.02 0.00 0.32 -0.07 -0.69 0.00 0.00 178.15 177.73 2a3x h LEU 170 N -0.12 0.85 -0.99 1.44 3.38 -1.46 -2.60 115.31 115.81 2a3x h LEU 170 Ca 0.06 -0.09 0.08 0.00 0.09 0.00 0.00 57.88 58.03 2a3x h LEU 170 Cb 0.21 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.67 2a3x h LEU 170 CO -0.15 0.72 0.63 0.28 0.09 0.00 0.00 178.44 180.01 2a3x h SER 171 N 0.94 0.98 -0.25 -0.43 0.02 -1.43 0.56 113.55 113.94 2a3x h SER 171 Ca 0.23 0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 61.17 2a3x h SER 171 Cb 0.10 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 2a3x h SER 171 CO -0.03 0.59 0.01 0.00 -1.14 0.00 0.00 176.83 176.26 2a3x h ALA 172 N 1.48 0.34 -0.67 3.77 0.00 -1.20 -0.58 119.26 122.38 2a3x h ALA 172 Ca 0.45 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 2a3x h ALA 172 Cb 0.28 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2a3x h ALA 172 CO -0.21 0.06 0.35 -0.92 0.00 0.00 0.00 179.25 178.54 2a3x h TYR 173 N 0.22 0.95 0.00 0.00 3.20 -1.23 -2.39 116.97 117.73 2a3x h TYR 173 Ca 0.07 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.91 2a3x h TYR 173 Cb 0.40 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.37 2a3x h TYR 173 CO 0.03 0.70 0.00 1.04 -1.64 0.00 0.00 178.16 178.29 2a3x n GLN 174 N -4.48 0.02 0.00 1.82 6.02 0.14 -4.87 117.38 116.03 2a3x n GLN 174 Ca 0.05 0.21 0.00 0.00 -0.01 0.00 0.00 57.00 57.25 2a3x n GLN 174 Cb 0.11 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.87 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 0.17 0.75 2.88 1.08 0.00 -0.90 -5.04 105.19 104.13 2a3x n GLY 175 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 2a3x n GLY 175 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2a3x s THR 176 N -2.00 2.76 0.58 2.61 -4.23 -0.25 -4.98 115.64 110.14 2a3x s THR 176 Ca 0.00 -4.13 -0.07 0.00 -1.18 0.00 0.00 61.69 56.31 2a3x s THR 176 Cb 0.00 -2.83 -0.01 0.00 1.34 0.00 0.00 72.50 71.01 2a3x s THR 176 CO 0.00 -1.00 0.91 -2.16 -0.54 0.00 0.00 174.62 171.83 2a3x s PRO 177 N -1.30 3.14 0.45 3.99 0.04 -1.22 -4.22 135.00 135.88 2a3x s PRO 177 Ca 0.24 0.18 -0.24 0.00 0.04 0.00 0.00 61.00 61.23 2a3x s PRO 177 Cb -0.06 -2.25 -0.07 0.00 0.04 0.00 0.00 34.50 32.16 2a3x s PRO 177 CO -0.15 -0.60 1.22 -0.51 0.04 0.00 0.00 177.00 177.00 2a3x s LEU 178 N -4.99 4.06 0.06 -3.56 1.02 -1.26 -4.95 118.68 109.06 2a3x s LEU 178 Ca 0.53 2.45 -0.31 0.00 0.02 0.00 0.00 54.13 56.81 2a3x s LEU 178 Cb -0.11 -4.14 -0.10 0.00 0.02 0.00 0.00 46.19 41.86 2a3x s LEU 178 CO 0.47 -0.95 1.89 -2.65 0.02 0.00 0.00 176.35 175.13 2a3x n PRO 179 N -0.34 2.73 -2.42 1.29 -0.02 -1.26 -4.97 135.00 130.01 2a3x n PRO 179 Ca 0.06 1.00 -0.28 0.00 -2.02 0.00 0.00 63.50 62.26 2a3x n PRO 179 Cb 0.46 -2.91 0.01 0.00 -0.02 0.00 0.00 33.50 31.05 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 3.58 3.31 -0.03 3.55 0.00 -1.26 -5.04 121.76 125.86 2a3x s ALA 180 Ca 0.86 -0.52 0.03 0.00 0.00 0.00 0.00 51.96 52.33 2a3x s ALA 180 Cb -0.50 -2.67 -0.05 0.00 0.00 0.00 0.00 23.12 19.90 2a3x s ALA 180 CO 0.41 -0.60 0.03 0.27 0.00 0.00 0.00 175.76 175.87 2a3x n ASN 181 N -2.48 4.11 -0.06 0.00 0.23 -1.17 -4.79 115.26 111.09 2a3x n ASN 181 Ca 0.03 0.00 -0.03 0.00 -0.53 0.00 0.00 54.58 54.05 2a3x n ASN 181 Cb 0.56 0.69 -0.01 0.00 -2.08 0.00 0.00 39.78 38.94 2a3x n ASN 181 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 2a3x h ILE 182 N 0.00 0.00 -3.30 1.53 2.04 -1.60 -3.48 117.51 112.71 2a3x h ILE 182 Ca -0.08 -0.92 -0.50 0.00 1.00 0.00 0.00 64.86 64.36 2a3x h ILE 182 Cb 1.05 0.00 -0.35 0.00 -0.74 0.00 0.00 36.82 36.77 2a3x h ILE 182 CO 0.00 0.00 -0.80 -0.76 0.00 0.00 0.00 178.15 176.59 2a3x s LEU 183 N -8.00 1.34 -0.16 1.44 2.01 -1.09 -4.68 118.68 109.54 2a3x s LEU 183 Ca -0.09 -0.27 0.01 0.00 0.01 0.00 0.00 54.13 53.79 2a3x s LEU 183 Cb 0.01 -0.77 0.01 0.00 0.01 0.00 0.00 46.19 45.45 2a3x s LEU 183 CO 0.13 -0.06 -0.17 -0.62 1.01 0.00 0.00 176.35 176.64 2a3x s ASP 184 N 1.24 3.42 0.47 2.29 -1.08 -1.26 -0.61 116.67 121.15 2a3x s ASP 184 Ca -0.04 -0.55 0.26 0.00 -0.52 0.00 0.00 52.55 51.70 2a3x s ASP 184 Cb -0.14 -1.53 1.07 0.00 -1.46 0.00 0.00 42.92 40.86 2a3x s ASP 184 CO -0.03 0.05 1.88 -0.25 0.52 0.00 0.00 175.17 177.34 2a3x h TRP 185 N 7.57 0.00 0.00 -5.34 2.91 -1.89 -2.41 115.95 116.79 2a3x h TRP 185 Ca -0.37 0.00 -0.15 0.00 1.13 0.00 0.00 58.89 59.50 2a3x h TRP 185 Cb 1.17 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.80 2a3x h TRP 185 CO 0.49 0.17 -0.71 1.96 -1.03 0.00 0.00 178.44 179.33 2a3x h GLN 186 N 0.00 0.00 -2.38 2.65 4.20 -1.89 -2.95 115.11 114.74 2a3x h GLN 186 Ca -0.00 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.15 2a3x h GLN 186 Cb 0.66 0.00 -0.37 0.00 0.30 0.00 0.00 27.48 28.07 2a3x h GLN 186 CO 0.02 0.71 -0.88 0.00 -0.67 0.00 0.00 178.83 178.01 2a3x s ALA 187 N -3.32 0.92 -0.09 3.87 0.00 -1.01 -3.45 121.76 118.68 2a3x s ALA 187 Ca -0.00 -2.00 -0.03 0.00 0.00 0.00 0.00 51.96 49.93 2a3x s ALA 187 Cb 0.12 -1.67 -0.03 0.00 0.00 0.00 0.00 23.12 21.53 2a3x s ALA 187 CO 0.77 -2.06 0.02 -1.17 0.00 0.00 0.00 175.76 173.32 2a3x s LEU 188 N 0.66 3.68 -0.40 0.00 2.96 -0.94 -4.20 118.68 120.43 2a3x s LEU 188 Ca 0.25 0.18 -0.07 0.00 -0.22 0.00 0.00 54.13 54.27 2a3x s LEU 188 Cb -0.10 -1.85 0.08 0.00 0.50 0.00 0.00 46.19 44.82 2a3x s LEU 188 CO -0.09 0.37 0.21 0.21 -1.32 0.00 0.00 176.35 175.74 2a3x s ASN 189 N -0.85 5.46 0.31 3.68 2.47 -1.26 -2.03 114.94 122.73 2a3x s ASN 189 Ca 0.13 -1.56 0.03 0.00 0.42 0.00 0.00 52.86 51.88 2a3x s ASN 189 Cb -0.11 -1.92 -0.05 0.00 -1.45 0.00 0.00 41.25 37.72 2a3x s ASN 189 CO 0.02 -0.49 0.09 -0.72 -3.72 0.00 0.00 177.10 172.28 2a3x s TYR 190 N 1.35 1.75 -0.11 0.43 1.13 -1.26 -0.91 117.35 119.73 2a3x s TYR 190 Ca 0.03 -1.13 -0.04 0.00 -1.41 0.00 0.00 57.07 54.52 2a3x s TYR 190 Cb -0.22 -1.09 0.06 0.00 -1.10 0.00 0.00 41.96 39.60 2a3x s TYR 190 CO 0.01 -0.21 0.22 -2.00 -2.51 0.00 0.00 175.55 171.05 2a3x s GLU 191 N -3.91 0.10 -0.16 -3.49 2.12 0.11 -4.94 118.70 108.54 2a3x s GLU 191 Ca 0.35 0.65 -0.20 0.00 0.36 0.00 0.00 54.97 56.14 2a3x s GLU 191 Cb 0.07 -0.14 -0.03 0.00 0.26 0.00 0.00 34.13 34.29 2a3x s GLU 191 CO 0.15 -0.28 0.55 0.42 -0.54 0.00 0.00 175.26 175.56 2a3x s ILE 192 N 2.27 5.11 -0.27 -3.70 1.01 -1.26 -0.42 121.20 123.93 2a3x s ILE 192 Ca 0.01 1.07 -0.03 0.00 0.00 0.00 0.00 60.65 61.70 2a3x s ILE 192 Cb -0.12 -3.88 0.09 0.00 0.01 0.00 0.00 42.46 38.56 2a3x s ILE 192 CO -0.07 0.22 0.10 -0.60 0.00 0.00 0.00 174.94 174.59 2a3x s ARG 193 N 1.26 0.45 0.00 2.79 6.06 -0.98 -5.02 118.95 123.52 2a3x s ARG 193 Ca 0.27 -0.68 0.00 0.00 -2.50 0.00 0.00 55.73 52.82 2a3x s ARG 193 Cb -0.16 -1.67 0.00 0.00 0.06 0.00 0.00 34.95 33.18 2a3x s ARG 193 CO 0.11 -0.92 0.00 0.41 -2.50 0.00 0.00 175.30 172.40 2a3x n GLY 194 N 5.07 -0.35 3.56 8.12 0.00 -1.26 -2.42 105.19 117.91 2a3x n GLY 194 Ca -0.05 -2.22 -0.41 0.00 0.00 0.00 0.00 46.02 43.34 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 2.48 -0.17 1.61 5.04 -1.26 -4.91 117.35 120.14 2a3x s TYR 195 Ca 0.00 -0.70 -0.07 0.00 -2.44 0.00 0.00 57.07 53.86 2a3x s TYR 195 Cb 0.00 -4.67 0.07 0.00 0.35 0.00 0.00 41.96 37.71 2a3x s TYR 195 CO 0.00 -1.95 0.37 0.54 -1.34 0.00 0.00 175.55 173.17 2a3x s VAL 196 N 5.23 -0.28 0.26 3.14 0.11 -1.26 -4.31 120.40 123.29 2a3x s VAL 196 Ca 0.45 0.15 0.09 0.00 -2.93 0.00 0.00 61.98 59.75 2a3x s VAL 196 Cb -0.01 -0.58 -0.04 0.00 -1.53 0.00 0.00 36.38 34.22 2a3x s VAL 196 CO -0.07 0.06 0.02 -0.63 -3.33 0.00 0.00 175.10 171.15 2a3x s ILE 197 N 1.91 3.56 -0.17 7.04 -1.09 -0.54 -4.93 121.20 126.97 2a3x s ILE 197 Ca -0.06 -1.85 -0.11 0.00 -2.23 0.00 0.00 60.65 56.40 2a3x s ILE 197 Cb -0.10 -2.90 -0.05 0.00 -1.58 0.00 0.00 42.46 37.83 2a3x s ILE 197 CO -0.12 -0.37 0.20 -0.51 -1.23 0.00 0.00 174.94 172.92 2a3x s ILE 198 N -2.29 5.37 0.05 2.92 2.07 -1.26 -1.66 121.20 126.40 2a3x s ILE 198 Ca 0.31 0.34 -0.10 0.00 -1.41 0.00 0.00 60.65 59.80 2a3x s ILE 198 Cb -0.07 -3.53 0.00 0.00 0.13 0.00 0.00 42.46 38.99 2a3x s ILE 198 CO 0.20 0.44 0.20 -0.54 -1.91 0.00 0.00 174.94 173.33 2a3x s LYS 199 N 0.27 0.72 0.52 3.50 -0.14 -1.03 -5.02 119.74 118.57 2a3x s LYS 199 Ca 0.12 -0.67 -0.20 0.00 -1.36 0.00 0.00 55.97 53.86 2a3x s LYS 199 Cb -0.12 0.30 -0.06 0.00 -1.68 0.00 0.00 37.83 36.27 2a3x s LYS 199 CO 0.01 -0.21 1.11 -1.25 -0.76 0.00 0.00 175.35 174.25 2a3x s PRO 200 N -2.77 3.48 -0.45 -1.68 0.04 -1.26 0.04 135.00 132.39 2a3x s PRO 200 Ca -0.03 1.58 -0.29 0.00 0.04 0.00 0.00 61.00 62.29 2a3x s PRO 200 Cb -0.00 -2.06 0.02 0.00 0.04 0.00 0.00 34.50 32.50 2a3x s PRO 200 CO -0.05 -0.74 1.33 -1.17 0.04 0.00 0.00 177.00 176.41 2a3x s LEU 201 N -3.67 3.57 -0.01 -3.56 2.96 -0.93 -4.66 118.68 112.39 2a3x s LEU 201 Ca 0.71 0.64 0.14 0.00 -0.22 0.00 0.00 54.13 55.39 2a3x s LEU 201 Cb -0.23 -3.48 -0.17 0.00 0.50 0.00 0.00 46.19 42.81 2a3x s LEU 201 CO 0.26 -1.42 0.47 1.33 -1.32 0.00 0.00 176.35 175.67 2a3x n VAL 202 N 6.99 0.00 -0.31 1.68 0.24 -1.26 -4.62 118.33 121.04 2a3x n VAL 202 Ca 0.15 -0.24 0.06 0.00 -2.04 0.00 0.00 64.34 62.27 2a3x n VAL 202 Cb 0.48 0.68 0.30 0.00 -1.47 0.00 0.00 33.84 33.83 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 -1.58 1.43 -0.61 6.34 4.27 -1.26 -5.28 117.44 120.75 2a3x n TRP 203 Ca 0.01 -0.52 0.00 0.00 -3.89 0.00 0.00 57.50 53.10 2a3x n TRP 203 Cb 0.27 -0.34 0.00 0.00 -1.36 0.00 0.00 31.31 29.88 2a3x n TRP 203 CO 0.00 0.00 0.00 0.28 -2.29 0.00 0.00 177.69 175.68