#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lgn s THR 2 N 0.00 2.45 -0.58 3.57 2.01 -0.38 -4.85 115.64 117.86 1lgn s THR 2 Ca 0.00 -0.94 -0.18 0.00 0.31 0.00 0.00 61.69 60.87 1lgn s THR 2 Cb 0.00 -1.91 0.11 0.00 0.01 0.00 0.00 72.50 70.70 1lgn s THR 2 CO 0.00 0.58 0.66 -0.62 -0.69 0.00 0.00 174.62 174.55 1lgn s ASP 3 N -0.50 6.18 -0.06 3.53 2.15 -1.26 0.55 116.67 127.27 1lgn s ASP 3 Ca 0.06 -1.48 0.05 0.00 0.43 0.00 0.00 52.55 51.61 1lgn s ASP 3 Cb -0.11 -2.28 0.24 0.00 -0.30 0.00 0.00 42.92 40.46 1lgn s ASP 3 CO 0.01 -1.06 0.92 0.18 -0.17 0.00 0.00 175.17 175.05 1lgn n LEU 4 N 6.13 2.24 -4.63 -1.34 4.32 -0.27 -4.94 117.00 118.50 1lgn n LEU 4 Ca -0.10 -1.13 -0.48 0.00 -0.02 0.00 0.00 56.01 54.28 1lgn n LEU 4 Cb 0.42 -0.49 -0.04 0.00 -1.62 0.00 0.00 43.42 41.68 1lgn n LEU 4 CO 0.57 0.35 0.96 -1.20 -1.22 0.00 0.00 177.39 176.86 1lgn n SER 5 N 0.18 2.22 -0.40 -1.43 7.64 -1.26 -1.52 113.62 119.05 1lgn n SER 5 Ca 0.08 1.12 -0.05 0.00 1.01 0.00 0.00 58.87 61.03 1lgn n SER 5 Cb 0.48 -1.32 -0.02 0.00 -1.01 0.00 0.00 64.21 62.34 1lgn n SER 5 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1lgn n GLY 6 N 2.52 0.74 3.36 0.23 0.00 -1.26 -5.00 105.19 105.79 1lgn n GLY 6 Ca 0.15 -0.37 -0.20 0.00 0.00 0.00 0.00 46.02 45.61 1lgn n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lgn s LYS 7 N -1.97 1.62 0.09 1.61 1.02 -0.58 -1.31 119.74 120.22 1lgn s LYS 7 Ca 0.00 -1.93 -0.15 0.00 0.02 0.00 0.00 55.97 53.91 1lgn s LYS 7 Cb 0.00 -0.22 0.03 0.00 -0.52 0.00 0.00 37.83 37.11 1lgn s LYS 7 CO 0.00 -0.42 0.34 0.14 -0.92 0.00 0.00 175.35 174.49 1lgn s VAL 8 N -3.55 0.08 -0.14 3.17 -7.23 0.76 -4.48 120.40 109.01 1lgn s VAL 8 Ca 0.34 -0.68 -0.20 0.00 -1.81 0.00 0.00 61.98 59.63 1lgn s VAL 8 Cb 0.05 -1.11 -0.03 0.00 0.56 0.00 0.00 36.38 35.85 1lgn s VAL 8 CO 0.17 -0.38 0.58 -0.36 -0.31 0.00 0.00 175.10 174.80 1lgn s PHE 9 N -3.30 3.47 -0.26 2.82 0.08 0.03 -1.78 117.98 119.04 1lgn s PHE 9 Ca 0.00 0.97 -0.04 0.00 0.12 0.00 0.00 56.93 57.98 1lgn s PHE 9 Cb 0.01 -2.69 0.02 0.00 -0.57 0.00 0.00 43.02 39.79 1lgn s PHE 9 CO -0.08 0.02 -0.01 0.54 -0.10 0.00 0.00 175.22 175.59 1lgn s VAL 10 N 1.15 3.31 -0.60 -0.44 0.11 0.62 -1.41 120.40 123.14 1lgn s VAL 10 Ca 0.29 -0.86 -0.20 0.00 -2.93 0.00 0.00 61.98 58.28 1lgn s VAL 10 Cb -0.16 -2.68 0.09 0.00 -1.53 0.00 0.00 36.38 32.11 1lgn s VAL 10 CO 0.12 0.18 0.77 -0.36 -3.33 0.00 0.00 175.10 172.47 1lgn s PHE 11 N 1.40 2.91 -1.45 1.54 0.40 -0.21 -2.24 117.98 120.34 1lgn s PHE 11 Ca 0.01 -0.82 0.22 0.00 -0.60 0.00 0.00 56.93 55.75 1lgn s PHE 11 Cb -0.17 -4.06 1.12 0.00 0.51 0.00 0.00 43.02 40.43 1lgn s PHE 11 CO -0.02 -1.37 1.71 -2.30 0.70 0.00 0.00 175.22 173.94 1lgn n PRO 12 N 6.69 0.33 -3.49 0.24 -0.02 -1.26 -1.56 135.00 135.92 1lgn n PRO 12 Ca -0.08 0.08 -0.13 0.00 -2.02 0.00 0.00 63.50 61.35 1lgn n PRO 12 Cb 0.43 -1.50 -0.04 0.00 -0.02 0.00 0.00 33.50 32.38 1lgn n PRO 12 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1lgn s ARG 13 N -2.55 1.17 0.01 -0.52 1.70 -1.26 -4.99 118.95 112.51 1lgn s ARG 13 Ca 0.21 -0.33 -0.30 0.00 -0.47 0.00 0.00 55.73 54.84 1lgn s ARG 13 Cb 0.15 0.54 -0.05 0.00 -0.57 0.00 0.00 34.95 35.02 1lgn s ARG 13 CO 0.33 -0.47 1.22 -2.00 -1.08 0.00 0.00 175.30 173.31 1lgn s GLU 14 N -3.08 4.38 0.35 3.89 2.12 -1.26 -4.84 118.70 120.27 1lgn s GLU 14 Ca -0.02 1.76 -0.16 0.00 0.36 0.00 0.00 54.97 56.91 1lgn s GLU 14 Cb -0.00 -3.45 0.04 0.00 0.26 0.00 0.00 34.13 30.98 1lgn s GLU 14 CO -0.07 -0.36 0.75 -1.54 -0.54 0.00 0.00 175.26 173.49 1lgn s SER 15 N 1.31 -0.01 -0.20 -1.70 1.04 -1.26 -5.02 113.70 107.86 1lgn s SER 15 Ca 0.58 -1.03 0.12 0.00 0.48 0.00 0.00 55.95 56.11 1lgn s SER 15 Cb -0.28 0.80 0.43 0.00 0.10 0.00 0.00 66.02 67.08 1lgn s SER 15 CO 0.26 -1.57 1.21 0.55 0.98 0.00 0.00 173.24 174.67 1lgn n VAL 16 N -0.51 1.98 0.05 5.02 3.14 -1.26 -4.56 118.33 122.18 1lgn n VAL 16 Ca -0.07 -3.14 0.00 0.00 -2.96 0.00 0.00 64.34 58.17 1lgn n VAL 16 Cb 0.60 -0.20 0.00 0.00 -1.06 0.00 0.00 33.84 33.17 1lgn n VAL 16 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 1lgn n THR 17 N -0.84 0.16 -2.01 1.55 -1.04 -1.26 -4.87 114.28 105.97 1lgn n THR 17 Ca 0.21 0.05 -0.41 0.00 -2.04 0.00 0.00 64.05 61.87 1lgn n THR 17 Cb 0.80 -0.83 -0.02 0.00 -1.82 0.00 0.00 70.33 68.46 1lgn n THR 17 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1lgn s ASP 18 N -5.13 6.64 -0.09 8.00 1.01 -1.26 -4.55 116.67 121.29 1lgn s ASP 18 Ca 0.00 2.74 -0.32 0.00 0.71 0.00 0.00 52.55 55.68 1lgn s ASP 18 Cb 0.00 -2.64 0.13 0.00 1.01 0.00 0.00 42.92 41.42 1lgn s ASP 18 CO 0.00 -0.67 1.32 -1.38 0.21 0.00 0.00 175.17 174.65 1lgn s HIS 19 N -0.58 -0.04 -0.03 4.23 -3.43 -0.28 -4.57 115.29 110.58 1lgn s HIS 19 Ca 0.55 -0.02 0.05 0.00 -0.80 0.00 0.00 55.06 54.83 1lgn s HIS 19 Cb -0.42 0.53 -0.01 0.00 -1.43 0.00 0.00 32.58 31.25 1lgn s HIS 19 CO 0.50 -0.18 -0.18 0.08 -2.00 0.00 0.00 174.74 172.96 1lgn s VAL 20 N -2.30 1.44 -0.30 -5.38 1.01 -0.62 -1.54 120.40 112.72 1lgn s VAL 20 Ca 0.13 -0.74 -0.11 0.00 0.00 0.00 0.00 61.98 61.27 1lgn s VAL 20 Cb 0.04 -1.23 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 1lgn s VAL 20 CO -0.05 0.41 0.17 0.20 0.00 0.00 0.00 175.10 175.84 1lgn s ASN 21 N -0.10 5.77 -0.03 3.32 0.01 -0.89 -1.18 114.94 121.84 1lgn s ASN 21 Ca -0.01 -0.28 -0.20 0.00 -0.71 0.00 0.00 52.86 51.67 1lgn s ASN 21 Cb -0.10 -2.06 -0.05 0.00 0.41 0.00 0.00 41.25 39.44 1lgn s ASN 21 CO 0.01 -0.13 0.56 -0.76 -1.51 0.00 0.00 177.10 175.27 1lgn s LEU 22 N 1.69 4.39 -0.20 0.60 1.02 -0.41 -1.07 118.68 124.70 1lgn s LEU 22 Ca 0.06 1.08 -0.02 0.00 0.02 0.00 0.00 54.13 55.27 1lgn s LEU 22 Cb -0.16 -2.86 0.00 0.00 0.02 0.00 0.00 46.19 43.19 1lgn s LEU 22 CO 0.09 0.09 -0.12 -0.63 0.02 0.00 0.00 176.35 175.80 1lgn s ILE 23 N -0.05 2.77 -0.12 -0.59 1.01 0.20 -4.20 121.20 120.22 1lgn s ILE 23 Ca 0.30 -0.70 -0.05 0.00 0.00 0.00 0.00 60.65 60.20 1lgn s ILE 23 Cb -0.17 -2.22 -0.04 0.00 0.01 0.00 0.00 42.46 40.04 1lgn s ILE 23 CO 0.16 0.48 0.06 0.28 0.00 0.00 0.00 174.94 175.92 1lgn s THR 24 N 1.36 4.85 0.17 2.92 -1.32 -1.26 -4.46 115.64 117.90 1lgn s THR 24 Ca 0.05 -0.03 0.35 0.00 -1.21 0.00 0.00 61.69 60.84 1lgn s THR 24 Cb -0.14 -3.10 0.38 0.00 -1.51 0.00 0.00 72.50 68.13 1lgn s THR 24 CO -0.07 0.58 2.04 -0.65 -2.21 0.00 0.00 174.62 174.31 1lgn h PRO 25 N 5.46 0.00 -5.29 7.08 0.11 -1.89 -3.44 132.00 134.04 1lgn h PRO 25 Ca -0.49 0.00 -0.61 0.00 0.11 0.00 0.00 66.00 65.01 1lgn h PRO 25 Cb 1.20 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.17 1lgn h PRO 25 CO 0.60 0.00 -0.53 -0.51 -0.21 0.00 0.00 178.00 177.35 1lgn s LEU 26 N -5.80 4.01 -0.29 2.35 1.43 -1.26 -4.98 118.68 114.14 1lgn s LEU 26 Ca -0.01 0.16 0.09 0.00 -1.03 0.00 0.00 54.13 53.35 1lgn s LEU 26 Cb 0.10 -2.02 0.53 0.00 0.03 0.00 0.00 46.19 44.83 1lgn s LEU 26 CO 0.45 0.18 1.51 -0.62 0.23 0.00 0.00 176.35 178.11 1lgn n GLU 27 N 3.49 2.05 -4.05 1.70 1.02 -1.26 -4.85 120.64 118.75 1lgn n GLU 27 Ca -0.16 -3.12 -0.31 0.00 -0.02 0.00 0.00 57.16 53.54 1lgn n GLU 27 Cb 0.52 -1.86 -0.06 0.00 -0.02 0.00 0.00 31.44 30.01 1lgn n GLU 27 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1lgn s LYS 28 N -3.20 3.02 0.40 3.49 1.02 -1.26 -4.81 119.74 118.40 1lgn s LYS 28 Ca 0.46 -0.59 -0.27 0.00 0.02 0.00 0.00 55.97 55.59 1lgn s LYS 28 Cb 0.41 -2.81 -0.10 0.00 -0.52 0.00 0.00 37.83 34.80 1lgn s LYS 28 CO 0.02 0.60 1.42 -2.14 -0.92 0.00 0.00 175.35 174.33 1lgn s PRO 29 N -2.21 3.99 0.07 -1.68 0.02 -1.26 -4.67 135.00 129.27 1lgn s PRO 29 Ca 0.28 2.43 -0.24 0.00 0.02 0.00 0.00 61.00 63.48 1lgn s PRO 29 Cb -0.12 -2.86 -0.06 0.00 0.02 0.00 0.00 34.50 31.48 1lgn s PRO 29 CO 0.20 -0.57 0.75 -0.51 -0.33 0.00 0.00 177.00 176.54 1lgn s LEU 30 N -2.29 4.48 0.00 -5.54 1.02 0.64 -4.87 118.68 112.12 1lgn s LEU 30 Ca 0.55 1.46 0.00 0.00 0.02 0.00 0.00 54.13 56.16 1lgn s LEU 30 Cb -0.44 -3.21 0.00 0.00 0.02 0.00 0.00 46.19 42.57 1lgn s LEU 30 CO 0.58 0.07 0.00 1.67 0.02 0.00 0.00 176.35 178.69 1lgn n GLN 31 N 2.50 1.90 -4.03 1.70 7.27 -1.26 -0.40 117.38 125.05 1lgn n GLN 31 Ca -0.04 0.00 -0.09 0.00 0.07 0.00 0.00 57.00 56.94 1lgn n GLN 31 Cb 0.50 -0.96 -0.11 0.00 2.41 0.00 0.00 30.24 32.08 1lgn n GLN 31 CO 0.00 0.00 0.00 -0.80 0.07 0.00 0.00 177.06 176.33 1lgn s ASN 32 N -3.36 0.44 -0.08 1.69 0.01 -1.26 -1.00 114.94 111.39 1lgn s ASN 32 Ca 0.00 -0.69 -0.32 0.00 -0.71 0.00 0.00 52.86 51.14 1lgn s ASN 32 Cb 0.00 0.12 0.12 0.00 0.41 0.00 0.00 41.25 41.90 1lgn s ASN 32 CO 0.00 -0.39 1.16 0.72 -1.51 0.00 0.00 177.10 177.08 1lgn s PHE 33 N -2.32 -0.14 -0.07 2.20 -0.12 -0.90 -4.25 117.98 112.38 1lgn s PHE 33 Ca -0.07 0.04 -0.04 0.00 -0.05 0.00 0.00 56.93 56.81 1lgn s PHE 33 Cb -0.04 0.54 0.03 0.00 -0.63 0.00 0.00 43.02 42.93 1lgn s PHE 33 CO -0.04 -0.34 0.16 0.99 -0.05 0.00 0.00 175.22 175.95 1lgn s THR 34 N -2.62 -0.04 -0.06 -4.49 2.01 -0.95 -2.28 115.64 107.22 1lgn s THR 34 Ca 0.10 0.13 0.04 0.00 0.31 0.00 0.00 61.69 62.27 1lgn s THR 34 Cb 0.01 -0.25 0.00 0.00 0.01 0.00 0.00 72.50 72.27 1lgn s THR 34 CO -0.04 0.05 -0.17 -0.22 -0.69 0.00 0.00 174.62 173.54 1lgn s LEU 35 N 0.91 1.88 0.00 4.42 2.96 0.26 -1.28 118.68 127.83 1lgn s LEU 35 Ca -0.07 -0.39 0.01 0.00 -0.22 0.00 0.00 54.13 53.47 1lgn s LEU 35 Cb -0.09 -1.03 -0.01 0.00 0.50 0.00 0.00 46.19 45.56 1lgn s LEU 35 CO -0.05 0.12 -0.03 0.00 -1.32 0.00 0.00 176.35 175.07 1lgn s PHE 37 N -0.34 -0.20 0.06 0.00 -0.12 -0.40 -1.07 117.98 115.91 1lgn s PHE 37 Ca -0.02 0.02 0.04 0.00 -0.05 0.00 0.00 56.93 56.92 1lgn s PHE 37 Cb -0.03 0.58 -0.04 0.00 -0.63 0.00 0.00 43.02 42.90 1lgn s PHE 37 CO -0.00 -0.58 -0.04 1.03 -0.05 0.00 0.00 175.22 175.58 1lgn s ARG 38 N -3.03 2.50 0.00 1.99 0.52 -0.41 -1.23 118.95 119.29 1lgn s ARG 38 Ca 0.09 -0.81 -0.06 0.00 -0.52 0.00 0.00 55.73 54.43 1lgn s ARG 38 Cb -0.00 -2.50 -0.00 0.00 0.52 0.00 0.00 34.95 32.96 1lgn s ARG 38 CO -0.04 0.56 0.11 0.00 0.02 0.00 0.00 175.30 175.95 1lgn s ALA 39 N -1.18 -0.25 -0.18 2.13 0.00 -0.60 -2.11 121.76 119.58 1lgn s ALA 39 Ca 0.22 -0.18 -0.04 0.00 0.00 0.00 0.00 51.96 51.96 1lgn s ALA 39 Cb -0.11 0.10 0.08 0.00 0.00 0.00 0.00 23.12 23.19 1lgn s ALA 39 CO 0.14 -0.19 0.21 -0.47 0.00 0.00 0.00 175.76 175.44 1lgn s TYR 40 N -1.31 -0.24 -0.02 0.00 5.04 -0.44 -0.72 117.35 119.67 1lgn s TYR 40 Ca -0.14 0.29 -0.19 0.00 -2.44 0.00 0.00 57.07 54.59 1lgn s TYR 40 Cb -0.08 -0.35 0.04 0.00 0.35 0.00 0.00 41.96 41.92 1lgn s TYR 40 CO 0.01 -0.53 0.41 0.45 -1.34 0.00 0.00 175.55 174.55 1lgn s SER 41 N 2.32 -0.31 -0.24 4.32 0.15 -1.26 -0.43 113.70 118.24 1lgn s SER 41 Ca 0.06 0.24 0.11 0.00 0.70 0.00 0.00 55.95 57.05 1lgn s SER 41 Cb -0.15 0.38 0.45 0.00 -1.71 0.00 0.00 66.02 64.98 1lgn s SER 41 CO -0.11 -0.51 1.31 -0.90 1.20 0.00 0.00 173.24 174.24 1lgn n ASP 42 N 1.12 2.04 -4.73 5.45 5.68 -1.26 -4.50 116.55 120.35 1lgn n ASP 42 Ca -0.21 -3.82 -0.41 0.00 -0.50 0.00 0.00 54.79 49.85 1lgn n ASP 42 Cb 0.57 -0.56 -0.04 0.00 -1.14 0.00 0.00 41.12 39.94 1lgn n ASP 42 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 1lgn s LEU 43 N -3.22 4.50 -0.05 -2.12 2.96 -1.26 -4.96 118.68 114.52 1lgn s LEU 43 Ca 0.40 1.84 0.10 0.00 -0.22 0.00 0.00 54.13 56.25 1lgn s LEU 43 Cb 0.38 -3.59 -0.23 0.00 0.50 0.00 0.00 46.19 43.24 1lgn s LEU 43 CO -0.04 -0.09 0.62 -1.20 -1.32 0.00 0.00 176.35 174.32 1lgn n SER 44 N 2.72 1.03 -3.23 3.68 7.64 -1.26 -4.95 113.62 119.24 1lgn n SER 44 Ca 0.02 0.39 -0.20 0.00 1.01 0.00 0.00 58.87 60.09 1lgn n SER 44 Cb 0.49 -0.16 0.17 0.00 -1.01 0.00 0.00 64.21 63.70 1lgn n SER 44 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1lgn n ARG 45 N -3.10 -2.27 -2.83 1.43 1.85 -1.26 -4.71 116.66 105.77 1lgn n ARG 45 Ca -0.19 -1.21 -0.31 0.00 -1.00 0.00 0.00 57.85 55.14 1lgn n ARG 45 Cb 1.05 -1.09 -0.04 0.00 -1.05 0.00 0.00 32.46 31.33 1lgn n ARG 45 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1lgn s ALA 46 N -3.13 3.28 -0.05 2.89 0.00 -1.26 -4.76 121.76 118.72 1lgn s ALA 46 Ca 0.49 -0.05 -0.30 0.00 0.00 0.00 0.00 51.96 52.10 1lgn s ALA 46 Cb -0.04 -2.82 0.08 0.00 0.00 0.00 0.00 23.12 20.34 1lgn s ALA 46 CO 0.37 0.03 0.75 1.52 0.00 0.00 0.00 175.76 178.42 1lgn s TYR 47 N -2.33 -0.57 -0.01 0.00 -0.85 -1.01 -4.50 117.35 108.09 1lgn s TYR 47 Ca 0.54 0.90 -0.30 0.00 -0.52 0.00 0.00 57.07 57.68 1lgn s TYR 47 Cb -0.10 0.44 -0.03 0.00 0.38 0.00 0.00 41.96 42.65 1lgn s TYR 47 CO 0.27 -0.58 1.01 0.45 -1.52 0.00 0.00 175.55 175.19 1lgn s SER 48 N -1.40 7.32 -0.10 -0.18 0.15 -0.60 -1.53 113.70 117.36 1lgn s SER 48 Ca -0.07 1.69 -0.02 0.00 0.70 0.00 0.00 55.95 58.24 1lgn s SER 48 Cb -0.00 -2.57 -0.26 0.00 -1.71 0.00 0.00 66.02 61.48 1lgn s SER 48 CO 0.05 -0.31 0.45 0.18 1.20 0.00 0.00 173.24 174.81 1lgn n LEU 49 N 4.04 2.24 -3.41 3.45 7.99 0.18 -4.50 117.00 127.00 1lgn n LEU 49 Ca 0.07 0.26 -0.04 0.00 -0.01 0.00 0.00 56.01 56.30 1lgn n LEU 49 Cb 0.50 -0.83 -0.05 0.00 -0.11 0.00 0.00 43.42 42.93 1lgn n LEU 49 CO 0.52 0.75 0.08 0.12 -1.51 0.00 0.00 177.39 177.35 1lgn s PHE 50 N -2.57 -1.15 -0.10 -1.77 2.19 -1.10 -4.67 117.98 108.81 1lgn s PHE 50 Ca -0.18 1.51 -0.04 0.00 0.33 0.00 0.00 56.93 58.55 1lgn s PHE 50 Cb 0.07 0.39 -0.04 0.00 -1.31 0.00 0.00 43.02 42.13 1lgn s PHE 50 CO 0.79 -0.71 0.04 0.45 1.83 0.00 0.00 175.22 177.62 1lgn s SER 51 N 2.72 5.57 -0.24 6.13 0.15 -1.01 -1.79 113.70 125.23 1lgn s SER 51 Ca 0.09 0.22 -0.03 0.00 0.70 0.00 0.00 55.95 56.94 1lgn s SER 51 Cb -0.14 -1.68 0.11 0.00 -1.71 0.00 0.00 66.02 62.60 1lgn s SER 51 CO -0.17 0.37 0.26 -0.47 1.20 0.00 0.00 173.24 174.42 1lgn s TYR 52 N -0.80 -0.35 0.13 3.44 6.14 -0.39 -1.58 117.35 123.94 1lgn s TYR 52 Ca 0.13 0.05 0.11 0.00 0.64 0.00 0.00 57.07 57.99 1lgn s TYR 52 Cb -0.12 -0.40 -0.04 0.00 0.42 0.00 0.00 41.96 41.82 1lgn s TYR 52 CO 0.03 -0.75 -0.26 -0.80 0.64 0.00 0.00 175.55 174.41 1lgn s ASN 53 N 2.34 3.21 0.30 4.32 -0.87 -0.80 -1.88 114.94 121.56 1lgn s ASN 53 Ca 0.08 -0.75 0.10 0.00 -1.57 0.00 0.00 52.86 50.72 1lgn s ASN 53 Cb -0.15 -0.21 -0.06 0.00 -0.02 0.00 0.00 41.25 40.81 1lgn s ASN 53 CO -0.22 0.15 -0.13 0.42 -2.57 0.00 0.00 177.10 174.76 1lgn s THR 54 N -1.15 2.18 0.04 1.60 -4.23 -1.17 0.99 115.64 113.90 1lgn s THR 54 Ca 0.14 -2.26 -0.34 0.00 -1.18 0.00 0.00 61.69 58.05 1lgn s THR 54 Cb -0.10 -2.45 -0.13 0.00 1.34 0.00 0.00 72.50 71.16 1lgn s THR 54 CO 0.06 -0.31 1.71 0.00 -0.54 0.00 0.00 174.62 175.54 1lgn n GLN 55 N -0.67 2.12 0.00 3.99 6.02 -1.26 -1.96 117.38 125.63 1lgn n GLN 55 Ca -0.05 0.77 0.00 0.00 -0.01 0.00 0.00 57.00 57.71 1lgn n GLN 55 Cb 0.62 -2.57 0.00 0.00 1.02 0.00 0.00 30.24 29.31 1lgn n GLN 55 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1lgn n GLY 56 N 3.84 2.75 2.99 1.08 0.00 -1.26 -4.99 105.19 109.60 1lgn n GLY 56 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 1lgn n GLY 56 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1lgn s ARG 57 N -0.09 2.04 0.20 1.61 0.52 -0.83 -5.12 118.95 117.28 1lgn s ARG 57 Ca 0.00 -0.62 -0.15 0.00 -0.52 0.00 0.00 55.73 54.44 1lgn s ARG 57 Cb 0.00 -2.15 -0.08 0.00 0.52 0.00 0.00 34.95 33.25 1lgn s ARG 57 CO 0.00 -0.32 0.62 0.34 0.02 0.00 0.00 175.30 175.95 1lgn s ASP 58 N 1.49 6.84 -1.17 0.23 2.15 -1.26 -3.03 116.67 121.92 1lgn s ASP 58 Ca 0.02 1.16 -0.17 0.00 0.43 0.00 0.00 52.55 54.00 1lgn s ASP 58 Cb -0.14 -2.32 -0.01 0.00 -0.30 0.00 0.00 42.92 40.15 1lgn s ASP 58 CO -0.09 0.02 0.76 0.59 -0.17 0.00 0.00 175.17 176.27 1lgn n ASN 59 N 0.47 -4.65 0.07 -0.34 3.02 -1.26 -4.13 115.26 108.44 1lgn n ASN 59 Ca -0.02 -0.98 -0.16 0.00 -0.03 0.00 0.00 54.58 53.38 1lgn n ASN 59 Cb 0.52 -3.53 -0.08 0.00 -0.61 0.00 0.00 39.78 36.08 1lgn n ASN 59 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1lgn h GLU 60 N -1.83 0.47 -1.62 3.52 4.57 -1.68 0.91 114.58 118.92 1lgn h GLU 60 Ca -0.65 -0.56 -0.08 0.00 -1.18 0.00 0.00 59.36 56.89 1lgn h GLU 60 Cb 1.36 0.17 -0.27 0.00 -0.16 0.00 0.00 28.75 29.85 1lgn h GLU 60 CO 0.50 1.20 -0.42 -1.17 -1.18 0.00 0.00 179.01 177.95 1lgn s LEU 61 N -7.72 -0.87 -0.04 1.64 2.96 -0.79 -0.81 118.68 113.06 1lgn s LEU 61 Ca -0.07 0.42 -0.00 0.00 -0.22 0.00 0.00 54.13 54.26 1lgn s LEU 61 Cb 0.08 1.44 0.03 0.00 0.50 0.00 0.00 46.19 48.23 1lgn s LEU 61 CO 0.89 -0.29 0.00 -0.22 -1.32 0.00 0.00 176.35 175.41 1lgn s LEU 62 N 2.64 0.95 -0.44 -0.68 2.96 -1.04 -1.26 118.68 121.80 1lgn s LEU 62 Ca 0.15 -0.04 -0.12 0.00 -0.22 0.00 0.00 54.13 53.90 1lgn s LEU 62 Cb -0.15 -0.29 0.08 0.00 0.50 0.00 0.00 46.19 46.32 1lgn s LEU 62 CO -0.18 -0.13 0.32 -0.69 -1.32 0.00 0.00 176.35 174.35 1lgn s VAL 63 N 1.34 4.62 -0.03 1.68 1.01 -0.74 -1.18 120.40 127.10 1lgn s VAL 63 Ca -0.05 -1.29 0.04 0.00 0.00 0.00 0.00 61.98 60.68 1lgn s VAL 63 Cb -0.13 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 1lgn s VAL 63 CO -0.02 -0.55 -0.12 -0.47 0.00 0.00 0.00 175.10 173.93 1lgn s TYR 64 N 1.51 2.75 -0.37 5.22 5.04 -0.70 -0.65 117.35 130.14 1lgn s TYR 64 Ca 0.03 -0.12 -0.08 0.00 -2.44 0.00 0.00 57.07 54.46 1lgn s TYR 64 Cb -0.24 -1.62 0.05 0.00 0.35 0.00 0.00 41.96 40.51 1lgn s TYR 64 CO 0.04 0.25 0.18 0.21 -1.34 0.00 0.00 175.55 174.88 1lgn s LYS 65 N -0.94 2.62 0.11 4.97 2.20 -0.58 -0.67 119.74 127.45 1lgn s LYS 65 Ca 0.13 -1.28 -0.20 0.00 -0.36 0.00 0.00 55.97 54.26 1lgn s LYS 65 Cb -0.11 -3.62 -0.07 0.00 -1.51 0.00 0.00 37.83 32.52 1lgn s LYS 65 CO 0.02 -0.79 1.72 0.93 -0.36 0.00 0.00 175.35 176.87 1lgn h GLU 66 N 8.31 0.29 -2.19 4.03 4.39 -1.75 -2.67 114.58 124.99 1lgn h GLU 66 Ca -0.23 -0.03 0.33 0.00 0.34 0.00 0.00 59.36 59.77 1lgn h GLU 66 Cb 1.08 -0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 29.61 1lgn h GLU 66 CO 0.67 0.26 0.88 -0.98 -1.16 0.00 0.00 179.01 178.68 1lgn s ARG 67 N -5.90 0.46 0.14 2.33 1.70 -1.24 -4.21 118.95 112.23 1lgn s ARG 67 Ca -0.13 -0.30 -0.34 0.00 -0.47 0.00 0.00 55.73 54.49 1lgn s ARG 67 Cb 0.08 0.13 -0.14 0.00 -0.57 0.00 0.00 34.95 34.45 1lgn s ARG 67 CO 0.70 -0.22 1.58 0.28 -1.08 0.00 0.00 175.30 176.56 1lgn n VAL 68 N -0.90 0.04 -1.31 4.99 0.31 -1.26 -1.62 118.33 118.58 1lgn n VAL 68 Ca 0.04 -0.01 -0.11 0.00 -0.01 0.00 0.00 64.34 64.25 1lgn n VAL 68 Cb 0.58 -1.51 -0.05 0.00 -0.91 0.00 0.00 33.84 31.96 1lgn n VAL 68 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1lgn n GLY 69 N 3.42 1.20 2.64 2.92 0.00 -1.26 -4.98 105.19 109.12 1lgn n GLY 69 Ca 0.17 -0.51 -0.28 0.00 0.00 0.00 0.00 46.02 45.40 1lgn n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1lgn s GLU 70 N -2.88 0.33 -0.15 1.61 2.12 -0.64 -1.17 118.70 117.93 1lgn s GLU 70 Ca 0.00 -0.40 -0.04 0.00 0.36 0.00 0.00 54.97 54.89 1lgn s GLU 70 Cb 0.00 -1.75 -0.03 0.00 0.26 0.00 0.00 34.13 32.61 1lgn s GLU 70 CO 0.00 -0.79 -0.02 0.71 -0.54 0.00 0.00 175.26 174.62 1lgn s TYR 71 N 1.99 3.08 0.16 5.30 2.02 -0.89 -2.26 117.35 126.75 1lgn s TYR 71 Ca 0.04 -0.16 0.08 0.00 -0.37 0.00 0.00 57.07 56.66 1lgn s TYR 71 Cb -0.16 -1.95 -0.04 0.00 -0.40 0.00 0.00 41.96 39.41 1lgn s TYR 71 CO -0.18 0.08 -0.07 -1.12 -1.57 0.00 0.00 175.55 172.69 1lgn s SER 72 N 0.15 4.43 -0.03 2.29 0.01 0.16 -1.24 113.70 119.47 1lgn s SER 72 Ca -0.00 -0.48 0.01 0.00 1.31 0.00 0.00 55.95 56.79 1lgn s SER 72 Cb -0.13 -0.83 0.02 0.00 0.21 0.00 0.00 66.02 65.28 1lgn s SER 72 CO 0.02 0.12 -0.04 -0.22 0.41 0.00 0.00 173.24 173.53 1lgn s LEU 73 N -2.72 1.42 -0.09 2.44 2.96 -0.12 -1.73 118.68 120.84 1lgn s LEU 73 Ca 0.25 -0.11 0.02 0.00 -0.22 0.00 0.00 54.13 54.07 1lgn s LEU 73 Cb -0.09 -0.38 -0.02 0.00 0.50 0.00 0.00 46.19 46.19 1lgn s LEU 73 CO 0.16 -0.04 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.70 1lgn s TYR 74 N 0.75 2.76 -0.21 5.38 1.51 -0.32 -0.95 117.35 126.26 1lgn s TYR 74 Ca -0.09 -0.42 -0.02 0.00 -1.01 0.00 0.00 57.07 55.53 1lgn s TYR 74 Cb -0.13 -1.74 0.06 0.00 -0.11 0.00 0.00 41.96 40.05 1lgn s TYR 74 CO -0.00 -0.03 0.03 0.42 -1.11 0.00 0.00 175.55 174.86 1lgn s ILE 75 N -0.16 0.70 -1.18 2.71 -1.09 0.21 -2.51 121.20 119.88 1lgn s ILE 75 Ca -0.01 -0.72 -0.03 0.00 -2.23 0.00 0.00 60.65 57.66 1lgn s ILE 75 Cb -0.13 -1.20 -0.02 0.00 -1.58 0.00 0.00 42.46 39.53 1lgn s ILE 75 CO 0.03 -0.23 0.89 0.61 -1.23 0.00 0.00 174.94 175.02 1lgn n GLY 76 N 4.98 -0.61 3.80 6.18 0.00 0.01 -1.78 105.19 117.77 1lgn n GLY 76 Ca -0.09 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1lgn n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lgn n ARG 77 N -3.92 0.00 -3.48 1.61 1.74 0.31 -4.97 116.66 107.94 1lgn n ARG 77 Ca -0.22 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.60 1lgn n ARG 77 Cb 0.65 -3.63 -0.02 0.00 -1.02 0.00 0.00 32.46 28.44 1lgn n ARG 77 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1lgn s HIS 78 N -1.97 3.49 0.01 -1.55 3.76 -0.74 -5.07 115.29 113.22 1lgn s HIS 78 Ca 0.00 0.41 0.00 0.00 -0.15 0.00 0.00 55.06 55.33 1lgn s HIS 78 Cb 0.00 -1.93 -0.01 0.00 1.11 0.00 0.00 32.58 31.75 1lgn s HIS 78 CO 0.00 0.23 -0.03 0.21 -0.85 0.00 0.00 174.74 174.30 1lgn s LYS 79 N -3.79 0.23 0.07 1.40 2.20 -1.26 -0.62 119.74 117.96 1lgn s LYS 79 Ca 0.40 -0.35 0.05 0.00 -0.36 0.00 0.00 55.97 55.71 1lgn s LYS 79 Cb -0.10 -0.03 -0.03 0.00 -1.51 0.00 0.00 37.83 36.16 1lgn s LYS 79 CO 0.32 -0.00 -0.14 0.14 -0.36 0.00 0.00 175.35 175.31 1lgn s VAL 80 N -0.76 1.06 -0.01 4.02 -7.23 -0.13 -4.97 120.40 112.38 1lgn s VAL 80 Ca -0.07 -1.26 0.02 0.00 -1.81 0.00 0.00 61.98 58.86 1lgn s VAL 80 Cb -0.05 -1.02 0.00 0.00 0.56 0.00 0.00 36.38 35.86 1lgn s VAL 80 CO -0.00 -0.22 -0.07 -0.89 -0.31 0.00 0.00 175.10 173.61 1lgn s THR 81 N -1.24 0.58 0.02 5.32 2.01 -1.26 -0.94 115.64 120.12 1lgn s THR 81 Ca -0.02 -0.28 0.03 0.00 0.31 0.00 0.00 61.69 61.73 1lgn s THR 81 Cb -0.10 -0.51 -0.01 0.00 0.01 0.00 0.00 72.50 71.89 1lgn s THR 81 CO 0.02 0.18 -0.09 -0.44 -0.69 0.00 0.00 174.62 173.60 1lgn s SER 82 N 0.05 1.09 0.17 3.53 0.01 -0.38 -4.98 113.70 113.20 1lgn s SER 82 Ca -0.00 -0.30 0.00 0.00 1.31 0.00 0.00 55.95 56.96 1lgn s SER 82 Cb -0.05 -0.07 -0.04 0.00 0.21 0.00 0.00 66.02 66.06 1lgn s SER 82 CO -0.00 0.02 0.34 -0.54 0.41 0.00 0.00 173.24 173.47 1lgn s LYS 83 N -0.71 3.49 0.07 12.44 1.02 -1.26 -2.10 119.74 132.69 1lgn s LYS 83 Ca 0.00 -0.43 -0.16 0.00 0.02 0.00 0.00 55.97 55.41 1lgn s LYS 83 Cb -0.06 -2.89 0.03 0.00 -0.52 0.00 0.00 37.83 34.39 1lgn s LYS 83 CO 0.00 0.45 0.37 0.54 -0.92 0.00 0.00 175.35 175.79 1lgn s VAL 84 N -1.80 0.07 -0.21 3.17 0.11 -0.32 -4.74 120.40 116.68 1lgn s VAL 84 Ca 0.37 -0.59 -0.20 0.00 -2.93 0.00 0.00 61.98 58.63 1lgn s VAL 84 Cb -0.11 -1.02 -0.03 0.00 -1.53 0.00 0.00 36.38 33.69 1lgn s VAL 84 CO 0.29 -0.33 0.59 -0.63 -3.33 0.00 0.00 175.10 171.69 1lgn s ILE 85 N -2.89 5.04 0.03 7.04 1.01 -1.26 -4.46 121.20 125.71 1lgn s ILE 85 Ca -0.03 1.09 -0.15 0.00 0.00 0.00 0.00 60.65 61.57 1lgn s ILE 85 Cb 0.00 -3.91 0.02 0.00 0.01 0.00 0.00 42.46 38.59 1lgn s ILE 85 CO -0.05 0.11 0.33 -1.83 0.00 0.00 0.00 174.94 173.50 1lgn s GLU 86 N 1.99 0.81 0.58 2.79 -1.05 -1.26 -5.05 118.70 117.51 1lgn s GLU 86 Ca 0.26 -0.41 -0.08 0.00 -0.15 0.00 0.00 54.97 54.60 1lgn s GLU 86 Cb -0.16 0.36 -0.01 0.00 -0.44 0.00 0.00 34.13 33.88 1lgn s GLU 86 CO 0.10 -0.26 0.92 0.15 0.95 0.00 0.00 175.26 177.12 1lgn s LYS 87 N -2.30 3.22 -0.10 -4.83 1.02 -1.26 -4.84 119.74 110.65 1lgn s LYS 87 Ca -0.07 0.27 -0.04 0.00 0.02 0.00 0.00 55.97 56.15 1lgn s LYS 87 Cb -0.02 -2.22 0.05 0.00 -0.52 0.00 0.00 37.83 35.12 1lgn s LYS 87 CO -0.02 -0.59 0.22 0.12 -0.92 0.00 0.00 175.35 174.17 1lgn s PHE 88 N -3.01 -0.32 0.47 3.18 5.36 -1.26 -4.15 117.98 118.25 1lgn s PHE 88 Ca 0.53 0.78 -0.03 0.00 -0.96 0.00 0.00 56.93 57.25 1lgn s PHE 88 Cb -0.11 -0.05 -0.02 0.00 -0.34 0.00 0.00 43.02 42.51 1lgn s PHE 88 CO 0.48 -0.27 0.74 -2.14 -1.46 0.00 0.00 175.22 172.57 1lgn s PRO 89 N 1.79 3.35 -0.23 10.12 0.02 -1.26 -5.19 135.00 143.60 1lgn s PRO 89 Ca -0.04 -0.04 -0.28 0.00 0.02 0.00 0.00 61.00 60.66 1lgn s PRO 89 Cb -0.11 -2.44 0.15 0.00 0.02 0.00 0.00 34.50 32.12 1lgn s PRO 89 CO -0.08 -0.23 1.15 0.00 -0.33 0.00 0.00 177.00 177.51 1lgn s ALA 90 N -2.68 -2.02 0.70 -1.55 0.00 -1.26 -5.10 121.76 109.85 1lgn s ALA 90 Ca 0.47 1.73 -0.16 0.00 0.00 0.00 0.00 51.96 54.00 1lgn s ALA 90 Cb -0.10 -1.17 0.02 0.00 0.00 0.00 0.00 23.12 21.87 1lgn s ALA 90 CO 0.42 -0.25 1.20 -2.14 0.00 0.00 0.00 175.76 174.99 1lgn s PRO 91 N -0.74 2.34 0.03 0.00 0.02 -1.26 -4.61 135.00 130.77 1lgn s PRO 91 Ca 0.03 1.74 -0.00 0.00 0.02 0.00 0.00 61.00 62.79 1lgn s PRO 91 Cb -0.02 -1.86 -0.02 0.00 0.02 0.00 0.00 34.50 32.62 1lgn s PRO 91 CO -0.04 -1.68 -0.03 0.54 -0.33 0.00 0.00 177.00 175.46 1lgn s VAL 92 N -1.95 0.15 -0.25 3.83 0.11 0.11 -4.99 120.40 117.40 1lgn s VAL 92 Ca 0.74 -1.06 0.03 0.00 -2.93 0.00 0.00 61.98 58.76 1lgn s VAL 92 Cb -0.29 -0.47 0.05 0.00 -1.53 0.00 0.00 36.38 34.14 1lgn s VAL 92 CO 0.43 -0.57 -0.13 -2.28 -3.33 0.00 0.00 175.10 169.22 1lgn s HIS 93 N -1.84 3.17 -0.09 1.54 2.46 -1.26 -1.55 115.29 117.72 1lgn s HIS 93 Ca -0.12 -2.19 -0.01 0.00 0.47 0.00 0.00 55.06 53.22 1lgn s HIS 93 Cb -0.07 -1.93 -0.03 0.00 -0.13 0.00 0.00 32.58 30.42 1lgn s HIS 93 CO -0.02 -0.86 -0.05 0.42 -2.47 0.00 0.00 174.74 171.75 1lgn s ILE 94 N 1.14 3.86 -0.07 0.89 1.01 -0.36 -0.92 121.20 126.75 1lgn s ILE 94 Ca -0.06 -0.41 -0.02 0.00 0.00 0.00 0.00 60.65 60.16 1lgn s ILE 94 Cb -0.19 -2.61 0.03 0.00 0.01 0.00 0.00 42.46 39.71 1lgn s ILE 94 CO -0.06 0.58 0.05 0.00 0.00 0.00 0.00 174.94 175.51 1lgn s VAL 96 N 2.13 2.03 0.02 0.00 0.11 0.36 -0.73 120.40 124.31 1lgn s VAL 96 Ca 0.04 -1.27 0.01 0.00 -2.93 0.00 0.00 61.98 57.83 1lgn s VAL 96 Cb -0.13 -1.72 -0.01 0.00 -1.53 0.00 0.00 36.38 32.98 1lgn s VAL 96 CO -0.04 0.40 -0.04 -0.94 -3.33 0.00 0.00 175.10 171.14 1lgn s SER 97 N -1.04 0.45 0.06 3.54 1.04 -0.16 -0.57 113.70 117.01 1lgn s SER 97 Ca 0.11 -0.34 0.03 0.00 0.48 0.00 0.00 55.95 56.23 1lgn s SER 97 Cb -0.10 0.03 -0.03 0.00 0.10 0.00 0.00 66.02 66.02 1lgn s SER 97 CO 0.01 -0.14 -0.09 0.86 0.98 0.00 0.00 173.24 174.86 1lgn s TRP 98 N -0.89 0.82 -0.21 5.02 -0.00 -0.97 -0.51 118.94 122.21 1lgn s TRP 98 Ca -0.08 -0.59 -0.04 0.00 -0.00 0.00 0.00 56.10 55.40 1lgn s TRP 98 Cb -0.06 -0.48 0.09 0.00 -0.00 0.00 0.00 33.47 33.02 1lgn s TRP 98 CO -0.00 -0.07 0.19 -2.00 -0.00 0.00 0.00 176.95 175.07 1lgn s GLU 99 N -2.13 0.17 0.27 5.86 2.12 -1.22 -2.13 118.70 121.65 1lgn s GLU 99 Ca -0.03 0.03 0.00 0.00 0.36 0.00 0.00 54.97 55.33 1lgn s GLU 99 Cb -0.07 -1.30 0.62 0.00 0.26 0.00 0.00 34.13 33.64 1lgn s GLU 99 CO -0.00 -0.73 1.69 1.03 -0.54 0.00 0.00 175.26 176.70 1lgn h SER 100 N 8.34 0.17 -0.48 -1.70 0.87 -1.35 0.42 113.55 119.83 1lgn h SER 100 Ca -0.16 0.16 0.09 0.00 -1.23 0.00 0.00 61.79 60.64 1lgn h SER 100 Cb 1.13 0.17 -0.07 0.00 -0.44 0.00 0.00 62.40 63.19 1lgn h SER 100 CO 0.30 -0.03 0.04 0.77 -0.53 0.00 0.00 176.83 177.39 1lgn h SER 101 N 0.33 -0.11 0.05 6.23 4.64 -1.91 0.91 113.55 123.69 1lgn h SER 101 Ca 0.50 0.10 -0.07 0.00 -0.47 0.00 0.00 61.79 61.85 1lgn h SER 101 Cb 0.92 0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 63.16 1lgn h SER 101 CO -0.54 -0.03 -2.02 -1.54 -0.87 0.00 0.00 176.83 171.84 1lgn n SER 102 N -5.18 0.05 0.00 4.97 3.41 -1.06 -4.52 113.62 111.30 1lgn n SER 102 Ca 0.05 0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 1lgn n SER 102 Cb 0.25 1.72 0.00 0.00 -0.26 0.00 0.00 64.21 65.92 1lgn n SER 102 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1lgn n GLY 103 N 1.35 0.86 3.61 5.00 0.00 0.15 -4.78 105.19 111.38 1lgn n GLY 103 Ca -0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 1lgn n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1lgn s ILE 104 N -3.44 3.74 0.04 -0.61 -1.09 -1.23 -0.63 121.20 117.97 1lgn s ILE 104 Ca 0.00 0.80 -0.19 0.00 -2.23 0.00 0.00 60.65 59.03 1lgn s ILE 104 Cb 0.00 -3.88 -0.06 0.00 -1.58 0.00 0.00 42.46 36.94 1lgn s ILE 104 CO 0.00 -0.48 0.54 0.00 -1.23 0.00 0.00 174.94 173.77 1lgn s ALA 105 N 5.63 3.59 -0.11 9.38 0.00 0.63 -3.38 121.76 137.50 1lgn s ALA 105 Ca 0.69 -0.02 -0.02 0.00 0.00 0.00 0.00 51.96 52.61 1lgn s ALA 105 Cb -0.20 -2.60 0.04 0.00 0.00 0.00 0.00 23.12 20.35 1lgn s ALA 105 CO 0.31 0.36 0.01 -2.00 0.00 0.00 0.00 175.76 174.44 1lgn s GLU 106 N -0.89 0.64 0.01 0.00 2.12 0.33 -2.78 118.70 118.13 1lgn s GLU 106 Ca 0.28 -0.05 -0.02 0.00 0.36 0.00 0.00 54.97 55.53 1lgn s GLU 106 Cb -0.19 -1.33 -0.04 0.00 0.26 0.00 0.00 34.13 32.84 1lgn s GLU 106 CO 0.17 -0.40 0.20 -0.06 -0.54 0.00 0.00 175.26 174.63 1lgn s PHE 107 N 1.94 3.54 -0.34 5.30 0.08 -1.26 -0.99 117.98 126.25 1lgn s PHE 107 Ca 0.03 0.35 -0.01 0.00 0.12 0.00 0.00 56.93 57.42 1lgn s PHE 107 Cb -0.14 -1.83 0.12 0.00 -0.57 0.00 0.00 43.02 40.60 1lgn s PHE 107 CO -0.06 0.63 0.16 -1.58 -0.10 0.00 0.00 175.22 174.27 1lgn s TRP 108 N -1.37 0.99 -0.20 0.36 0.52 0.09 -1.63 118.94 117.70 1lgn s TRP 108 Ca 0.29 -1.53 -0.20 0.00 0.02 0.00 0.00 56.10 54.68 1lgn s TRP 108 Cb -0.13 -1.22 -0.03 0.00 -1.15 0.00 0.00 33.47 30.94 1lgn s TRP 108 CO 0.21 -0.83 0.58 0.42 0.02 0.00 0.00 176.95 177.35 1lgn s ILE 109 N 1.41 5.05 -1.35 2.03 -1.09 0.34 -2.67 121.20 124.92 1lgn s ILE 109 Ca 0.13 1.09 -0.09 0.00 -2.23 0.00 0.00 60.65 59.56 1lgn s ILE 109 Cb -0.20 -3.90 0.00 0.00 -1.58 0.00 0.00 42.46 36.78 1lgn s ILE 109 CO -0.17 0.14 0.46 0.59 -1.23 0.00 0.00 174.94 174.73 1lgn n ASN 110 N 4.96 -1.61 -0.53 3.58 3.02 -0.10 -0.49 115.26 124.09 1lgn n ASN 110 Ca -0.03 -1.09 -0.07 0.00 -0.03 0.00 0.00 54.58 53.36 1lgn n ASN 110 Cb 0.50 -2.70 -0.03 0.00 -0.61 0.00 0.00 39.78 36.94 1lgn n ASN 110 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1lgn n GLY 111 N -2.04 0.80 3.18 7.41 0.00 -1.26 -4.98 105.19 108.30 1lgn n GLY 111 Ca -0.24 -0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.28 1lgn n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1lgn s THR 112 N -1.92 1.97 -0.04 2.61 2.01 0.35 -5.01 115.64 115.61 1lgn s THR 112 Ca 0.00 -0.95 -0.30 0.00 0.31 0.00 0.00 61.69 60.75 1lgn s THR 112 Cb 0.00 -1.72 -0.03 0.00 0.01 0.00 0.00 72.50 70.77 1lgn s THR 112 CO 0.00 0.54 1.03 -2.16 -0.69 0.00 0.00 174.62 173.34 1lgn s PRO 113 N 0.55 4.47 0.77 4.92 0.04 -1.26 -0.51 135.00 143.99 1lgn s PRO 113 Ca -0.14 1.47 -0.06 0.00 0.04 0.00 0.00 61.00 62.31 1lgn s PRO 113 Cb -0.17 -3.49 0.13 0.00 0.04 0.00 0.00 34.50 31.01 1lgn s PRO 113 CO 0.04 -0.21 1.07 -0.51 0.04 0.00 0.00 177.00 177.43 1lgn s LEU 114 N 1.53 2.90 0.30 -3.56 1.43 -0.65 -4.96 118.68 115.67 1lgn s LEU 114 Ca 0.52 -0.04 -0.29 0.00 -1.03 0.00 0.00 54.13 53.29 1lgn s LEU 114 Cb -0.21 -2.32 -0.10 0.00 0.03 0.00 0.00 46.19 43.59 1lgn s LEU 114 CO 0.24 -1.99 1.29 -0.69 0.23 0.00 0.00 176.35 175.42 1lgn s VAL 115 N -3.33 2.89 0.37 -1.59 1.01 -1.26 -4.69 120.40 113.80 1lgn s VAL 115 Ca 0.67 0.86 -0.26 0.00 0.00 0.00 0.00 61.98 63.25 1lgn s VAL 115 Cb -0.06 -3.55 -0.09 0.00 0.00 0.00 0.00 36.38 32.68 1lgn s VAL 115 CO 0.46 0.19 1.09 -0.54 0.00 0.00 0.00 175.10 176.30 1lgn s LYS 116 N -1.41 4.27 0.21 2.72 1.02 -1.26 -4.75 119.74 120.53 1lgn s LYS 116 Ca 0.50 1.66 0.04 0.00 0.02 0.00 0.00 55.97 58.19 1lgn s LYS 116 Cb -0.38 -2.74 -0.05 0.00 -0.52 0.00 0.00 37.83 34.14 1lgn s LYS 116 CO 0.48 -0.09 -0.03 0.15 -0.92 0.00 0.00 175.35 174.95 1lgn s LYS 117 N -2.17 1.27 0.00 1.68 -0.14 -1.12 -5.00 119.74 114.26 1lgn s LYS 117 Ca 0.54 -1.62 0.03 0.00 -1.36 0.00 0.00 55.97 53.57 1lgn s LYS 117 Cb -0.26 -0.63 -0.01 0.00 -1.68 0.00 0.00 37.83 35.25 1lgn s LYS 117 CO 0.33 -0.05 -0.10 0.20 -0.76 0.00 0.00 175.35 174.97 1lgn s GLY 118 N -3.27 0.53 0.06 -3.33 0.00 -1.26 -0.27 107.32 99.78 1lgn s GLY 118 Ca 0.25 -0.51 -0.22 0.00 0.00 0.00 0.00 44.72 44.24 1lgn s GLY 118 CO 0.07 -0.46 0.52 0.48 0.00 0.00 0.00 173.10 173.70 1lgn s LEU 119 N -0.49 -0.08 -1.33 0.66 2.34 0.19 -4.97 118.68 115.01 1lgn s LEU 119 Ca 0.02 0.12 -0.23 0.00 0.06 0.00 0.00 54.13 54.10 1lgn s LEU 119 Cb -0.05 2.15 0.03 0.00 -0.56 0.00 0.00 46.19 47.76 1lgn s LEU 119 CO -0.00 -0.75 0.46 0.54 -1.06 0.00 0.00 176.35 175.54 1lgn n ARG 120 N 0.28 -0.54 -2.06 1.48 1.74 -1.26 -4.50 116.66 111.80 1lgn n ARG 120 Ca -0.18 0.09 -0.42 0.00 -0.77 0.00 0.00 57.85 56.57 1lgn n ARG 120 Cb 0.61 -2.91 -0.03 0.00 -1.02 0.00 0.00 32.46 29.11 1lgn n ARG 120 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1lgn s GLN 121 N -7.40 4.25 0.00 5.56 0.74 -1.26 -2.63 119.66 118.92 1lgn s GLN 121 Ca 0.33 2.19 0.00 0.00 0.05 0.00 0.00 55.36 57.93 1lgn s GLN 121 Cb -0.18 -3.45 0.00 0.00 1.10 0.00 0.00 33.01 30.48 1lgn s GLN 121 CO 0.98 -0.61 0.00 0.41 -0.55 0.00 0.00 175.29 175.52 1lgn n GLY 122 N 3.76 0.46 3.93 2.59 0.00 0.31 -4.97 105.19 111.28 1lgn n GLY 122 Ca 0.14 -0.96 -0.20 0.00 0.00 0.00 0.00 46.02 45.00 1lgn n GLY 122 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1lgn s TYR 123 N -2.00 3.12 -0.09 1.61 6.14 -1.08 -5.04 117.35 120.01 1lgn s TYR 123 Ca 0.00 -0.19 -0.00 0.00 0.64 0.00 0.00 57.07 57.52 1lgn s TYR 123 Cb 0.00 -1.79 0.02 0.00 0.42 0.00 0.00 41.96 40.61 1lgn s TYR 123 CO 0.00 0.19 -0.06 -0.06 0.64 0.00 0.00 175.55 176.26 1lgn s PHE 124 N -2.17 1.24 -0.01 4.97 0.08 -1.26 -4.70 117.98 116.13 1lgn s PHE 124 Ca 0.40 -0.54 -0.30 0.00 0.12 0.00 0.00 56.93 56.61 1lgn s PHE 124 Cb -0.08 -1.06 -0.04 0.00 -0.57 0.00 0.00 43.02 41.26 1lgn s PHE 124 CO 0.29 -0.41 1.24 0.14 -0.10 0.00 0.00 175.22 176.37 1lgn s VAL 125 N 1.53 4.08 0.90 -0.44 -7.23 0.46 -4.82 120.40 114.88 1lgn s VAL 125 Ca 0.01 1.45 -0.15 0.00 -1.81 0.00 0.00 61.98 61.48 1lgn s VAL 125 Cb -0.13 -3.93 -0.03 0.00 0.56 0.00 0.00 36.38 32.84 1lgn s VAL 125 CO -0.05 0.03 0.08 -0.62 -0.31 0.00 0.00 175.10 174.24 1lgn n GLU 126 N 4.84 -0.09 -3.32 4.82 -0.58 -1.26 -0.26 120.64 124.78 1lgn n GLU 126 Ca 0.11 0.00 -0.22 0.00 -0.42 0.00 0.00 57.16 56.63 1lgn n GLU 126 Cb 0.46 -1.59 0.05 0.00 -0.57 0.00 0.00 31.44 29.79 1lgn n GLU 126 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1lgn s ALA 127 N -2.19 4.67 -1.05 0.62 0.00 -1.26 -4.50 121.76 118.04 1lgn s ALA 127 Ca 0.54 -1.87 -0.09 0.00 0.00 0.00 0.00 51.96 50.54 1lgn s ALA 127 Cb -0.24 -1.21 -0.05 0.00 0.00 0.00 0.00 23.12 21.62 1lgn s ALA 127 CO 0.70 -0.79 0.88 1.04 0.00 0.00 0.00 175.76 177.59 1lgn n GLN 128 N -2.14 -1.96 -2.38 0.00 6.02 -1.26 -4.82 117.38 110.83 1lgn n GLN 128 Ca 0.11 0.80 -0.25 0.00 -0.01 0.00 0.00 57.00 57.65 1lgn n GLN 128 Cb 0.63 -5.41 0.10 0.00 1.02 0.00 0.00 30.24 26.57 1lgn n GLN 128 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1lgn s PRO 129 N -4.69 1.80 -0.30 -1.09 0.04 -1.26 -4.42 135.00 125.07 1lgn s PRO 129 Ca 0.44 -0.71 0.01 0.00 0.04 0.00 0.00 61.00 60.78 1lgn s PRO 129 Cb -0.08 -2.24 0.09 0.00 0.04 0.00 0.00 34.50 32.31 1lgn s PRO 129 CO 0.77 -1.42 0.04 0.21 0.04 0.00 0.00 177.00 176.63 1lgn s LYS 130 N -5.23 1.22 -0.40 4.56 2.47 0.28 -4.96 119.74 117.68 1lgn s LYS 130 Ca 0.64 -1.29 -0.15 0.00 -1.56 0.00 0.00 55.97 53.61 1lgn s LYS 130 Cb -0.07 -2.56 0.02 0.00 -1.46 0.00 0.00 37.83 33.76 1lgn s LYS 130 CO 0.45 -0.85 0.31 0.42 0.16 0.00 0.00 175.35 175.83 1lgn s ILE 131 N 1.33 5.25 0.12 5.43 1.01 -1.26 -1.91 121.20 131.17 1lgn s ILE 131 Ca 0.05 -0.59 0.08 0.00 0.00 0.00 0.00 60.65 60.20 1lgn s ILE 131 Cb -0.18 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.33 1lgn s ILE 131 CO -0.14 -0.29 -0.13 0.68 0.00 0.00 0.00 174.94 175.06 1lgn s VAL 132 N 1.72 3.14 -0.05 2.92 -7.23 -0.61 -1.28 120.40 119.00 1lgn s VAL 132 Ca 0.06 -1.42 0.05 0.00 -1.81 0.00 0.00 61.98 58.86 1lgn s VAL 132 Cb -0.19 -2.47 -0.02 0.00 0.56 0.00 0.00 36.38 34.26 1lgn s VAL 132 CO 0.10 0.07 -0.21 -0.76 -0.31 0.00 0.00 175.10 174.00 1lgn s LEU 133 N -2.28 2.33 0.00 1.32 1.02 -0.33 -2.39 118.68 118.35 1lgn s LEU 133 Ca 0.21 -0.38 0.00 0.00 0.02 0.00 0.00 54.13 53.97 1lgn s LEU 133 Cb -0.11 -1.44 0.00 0.00 0.02 0.00 0.00 46.19 44.66 1lgn s LEU 133 CO 0.13 0.29 0.00 0.61 0.02 0.00 0.00 176.35 177.40 1lgn n GLY 134 N 2.66 0.87 3.44 -3.19 0.00 -1.26 -1.59 105.19 106.13 1lgn n GLY 134 Ca -0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 1lgn n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1lgn s GLN 135 N -0.68 1.34 -0.23 1.61 -1.52 -1.26 -2.93 119.66 115.99 1lgn s GLN 135 Ca 0.00 -1.22 0.01 0.00 -1.95 0.00 0.00 55.36 52.20 1lgn s GLN 135 Cb 0.00 0.42 0.04 0.00 -0.22 0.00 0.00 33.01 33.24 1lgn s GLN 135 CO 0.00 -0.52 -0.13 -2.00 -0.25 0.00 0.00 175.29 172.39 1lgn s GLU 136 N -4.00 2.66 0.36 2.91 -6.30 -1.26 -4.56 118.70 108.51 1lgn s GLU 136 Ca 0.21 -1.07 -0.26 0.00 -2.50 0.00 0.00 54.97 51.35 1lgn s GLU 136 Cb 0.02 -2.79 -0.09 0.00 0.00 0.00 0.00 34.13 31.26 1lgn s GLU 136 CO 0.05 -0.39 1.12 -0.65 0.02 0.00 0.00 175.26 175.40 1lgn s GLN 137 N 1.23 4.30 0.00 4.30 -0.21 -1.26 -3.83 119.66 124.18 1lgn s GLN 137 Ca -0.02 1.75 0.00 0.00 0.02 0.00 0.00 55.36 57.11 1lgn s GLN 137 Cb -0.17 -2.83 0.00 0.00 1.00 0.00 0.00 33.01 31.01 1lgn s GLN 137 CO -0.08 -0.08 0.70 -0.25 -2.12 0.00 0.00 175.29 173.46 1lgn n ASP 138 N 0.45 1.23 -3.02 5.90 8.00 -0.45 -4.69 116.55 123.97 1lgn n ASP 138 Ca 0.02 -1.48 -0.15 0.00 0.71 0.00 0.00 54.79 53.90 1lgn n ASP 138 Cb 0.47 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.54 1lgn n ASP 138 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1lgn n SER 139 N -0.24 -1.47 -4.56 -2.24 3.41 -1.11 -4.91 113.62 102.49 1lgn n SER 139 Ca 0.00 -2.91 -0.31 0.00 -0.26 0.00 0.00 58.87 55.38 1lgn n SER 139 Cb 0.22 2.70 -0.04 0.00 -0.26 0.00 0.00 64.21 66.83 1lgn n SER 139 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1lgn s TYR 140 N -2.81 2.06 0.00 7.33 5.04 -1.26 -3.14 117.35 124.56 1lgn s TYR 140 Ca 0.29 0.11 0.00 0.00 -2.44 0.00 0.00 57.07 55.03 1lgn s TYR 140 Cb -0.01 -4.25 0.00 0.00 0.35 0.00 0.00 41.96 38.05 1lgn s TYR 140 CO 0.21 -1.73 0.00 0.41 -1.34 0.00 0.00 175.55 173.09 1lgn n GLY 141 N 6.65 0.78 0.00 8.97 0.00 -1.26 -5.00 105.19 115.33 1lgn n GLY 141 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.41 1lgn n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lgn n GLY 142 N -2.18 5.08 3.69 -0.02 0.00 -1.19 -4.98 105.19 105.59 1lgn n GLY 142 Ca 0.00 -1.13 -0.30 0.00 0.00 0.00 0.00 46.02 44.59 1lgn n GLY 142 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1lgn n LYS 143 N 0.00 -1.13 -2.65 1.61 5.02 -1.26 -1.34 118.16 118.40 1lgn n LYS 143 Ca 0.00 0.53 -0.38 0.00 -2.02 0.00 0.00 58.31 56.44 1lgn n LYS 143 Cb 0.00 -3.83 -0.05 0.00 -0.02 0.00 0.00 35.03 31.13 1lgn n LYS 143 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1lgn s PHE 144 N -3.37 3.61 -0.23 2.13 0.08 -1.26 -2.85 117.98 116.09 1lgn s PHE 144 Ca 0.38 1.75 0.01 0.00 0.12 0.00 0.00 56.93 59.20 1lgn s PHE 144 Cb -0.15 -3.06 0.04 0.00 -0.57 0.00 0.00 43.02 39.28 1lgn s PHE 144 CO 0.87 -0.12 -0.13 0.34 -0.10 0.00 0.00 175.22 176.08 1lgn s ASP 145 N -1.37 3.99 0.35 1.36 -1.08 -1.25 -5.00 116.67 113.66 1lgn s ASP 145 Ca 0.49 -1.06 0.13 0.00 -0.52 0.00 0.00 52.55 51.60 1lgn s ASP 145 Cb -0.24 -1.55 0.97 0.00 -1.46 0.00 0.00 42.92 40.64 1lgn s ASP 145 CO 0.30 -0.12 1.76 -0.09 0.52 0.00 0.00 175.17 177.54 1lgn h ARG 146 N 7.87 0.50 0.00 4.34 2.43 -1.95 0.26 114.38 127.84 1lgn h ARG 146 Ca -0.30 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 1lgn h ARG 146 Cb 1.09 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 1lgn h ARG 146 CO 0.54 0.33 0.00 -1.13 -1.51 0.00 0.00 179.97 178.20 1lgn n SER 147 N -4.75 0.00 -0.03 -3.80 3.41 -1.26 -2.23 113.62 104.97 1lgn n SER 147 Ca 0.26 -0.89 0.00 0.00 -0.26 0.00 0.00 58.87 57.98 1lgn n SER 147 Cb 0.78 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.73 1lgn n SER 147 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1lgn n GLN 148 N -0.92 -0.88 -1.98 4.33 6.02 0.92 -4.67 117.38 120.20 1lgn n GLN 148 Ca 0.16 -0.54 -0.41 0.00 -0.01 0.00 0.00 57.00 56.20 1lgn n GLN 148 Cb 0.07 -1.01 -0.01 0.00 1.02 0.00 0.00 30.24 30.31 1lgn n GLN 148 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1lgn s SER 149 N -0.06 6.58 -0.16 1.08 1.04 -0.95 -1.55 113.70 119.69 1lgn s SER 149 Ca 0.01 2.84 -0.13 0.00 0.48 0.00 0.00 55.95 59.14 1lgn s SER 149 Cb 0.01 -2.66 -0.05 0.00 0.10 0.00 0.00 66.02 63.42 1lgn s SER 149 CO 0.01 -0.69 0.28 0.12 0.98 0.00 0.00 173.24 173.94 1lgn s PHE 150 N -1.05 3.47 -0.13 5.02 2.19 -1.15 -4.75 117.98 121.59 1lgn s PHE 150 Ca 0.51 0.59 -0.00 0.00 0.33 0.00 0.00 56.93 58.36 1lgn s PHE 150 Cb -0.43 -2.32 0.02 0.00 -1.31 0.00 0.00 43.02 38.99 1lgn s PHE 150 CO 0.56 0.27 -0.10 0.54 1.83 0.00 0.00 175.22 178.32 1lgn s VAL 151 N 0.38 1.25 -3.66 3.12 0.11 -1.26 -4.80 120.40 115.53 1lgn s VAL 151 Ca 0.16 -0.44 0.00 0.00 -2.93 0.00 0.00 61.98 58.77 1lgn s VAL 151 Cb -0.13 -1.23 0.00 0.00 -1.53 0.00 0.00 36.38 33.49 1lgn s VAL 151 CO 0.04 0.39 0.00 0.61 -3.33 0.00 0.00 175.10 172.81 1lgn n GLY 152 N 4.87 -0.33 3.23 6.54 0.00 -0.60 -4.54 105.19 114.36 1lgn n GLY 152 Ca -0.14 -0.80 -0.24 0.00 0.00 0.00 0.00 46.02 44.84 1lgn n GLY 152 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lgn s GLU 153 N -2.00 1.25 -0.01 1.61 2.02 0.43 -1.04 118.70 120.95 1lgn s GLU 153 Ca 0.00 -0.91 0.02 0.00 0.02 0.00 0.00 54.97 54.10 1lgn s GLU 153 Cb 0.00 -1.35 0.00 0.00 0.10 0.00 0.00 34.13 32.88 1lgn s GLU 153 CO 0.00 0.34 -0.06 0.42 0.02 0.00 0.00 175.26 175.98 1lgn s ILE 154 N -0.84 0.52 0.36 -1.63 1.01 -0.50 -1.32 121.20 118.80 1lgn s ILE 154 Ca 0.06 -0.25 -0.08 0.00 0.00 0.00 0.00 60.65 60.38 1lgn s ILE 154 Cb -0.09 -0.46 0.03 0.00 0.01 0.00 0.00 42.46 41.95 1lgn s ILE 154 CO 0.02 0.16 0.61 -0.83 0.00 0.00 0.00 174.94 174.90 1lgn s GLY 155 N 0.04 1.01 -1.62 6.18 0.00 -0.90 -0.79 107.32 111.24 1lgn s GLY 155 Ca -0.00 -1.18 -0.10 0.00 0.00 0.00 0.00 44.72 43.43 1lgn s GLY 155 CO -0.00 -0.70 0.49 1.22 0.00 0.00 0.00 173.10 174.11 1lgn n ASP 156 N -1.41 -1.36 -4.72 1.64 9.92 -1.26 -1.29 116.55 118.08 1lgn n ASP 156 Ca -0.03 -1.10 -0.41 0.00 -0.53 0.00 0.00 54.79 52.72 1lgn n ASP 156 Cb 0.61 -2.43 -0.04 0.00 -0.64 0.00 0.00 41.12 38.62 1lgn n ASP 156 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1lgn s LEU 157 N -7.21 4.40 -0.05 0.64 1.98 -1.26 -3.86 118.68 113.34 1lgn s LEU 157 Ca 0.39 1.62 -0.09 0.00 -2.89 0.00 0.00 54.13 53.17 1lgn s LEU 157 Cb -0.22 -3.49 0.02 0.00 0.66 0.00 0.00 46.19 43.15 1lgn s LEU 157 CO 0.95 -0.17 0.22 -0.31 -1.89 0.00 0.00 176.35 175.14 1lgn s TYR 158 N 0.64 -0.16 -0.08 5.38 1.51 -0.24 -2.03 117.35 122.38 1lgn s TYR 158 Ca 0.48 0.34 -0.03 0.00 -1.01 0.00 0.00 57.07 56.85 1lgn s TYR 158 Cb -0.21 0.05 0.05 0.00 -0.11 0.00 0.00 41.96 41.73 1lgn s TYR 158 CO 0.27 -0.22 0.16 1.41 -1.11 0.00 0.00 175.55 176.06 1lgn s MET 159 N -0.57 0.03 0.28 -0.62 1.75 -0.30 -1.31 119.30 118.56 1lgn s MET 159 Ca -0.07 0.54 0.07 0.00 -1.25 0.00 0.00 55.69 54.99 1lgn s MET 159 Cb -0.04 -0.27 -0.03 0.00 2.84 0.00 0.00 34.83 37.33 1lgn s MET 159 CO 0.01 -0.30 0.27 -1.58 -0.65 0.00 0.00 175.02 172.78 1lgn s TRP 160 N 2.21 3.13 -2.21 4.11 0.51 -0.40 -0.68 118.94 125.60 1lgn s TRP 160 Ca 0.02 -0.15 0.20 0.00 -2.12 0.00 0.00 56.10 54.06 1lgn s TRP 160 Cb -0.12 -1.57 0.53 0.00 -0.81 0.00 0.00 33.47 31.50 1lgn s TRP 160 CO -0.06 0.39 1.44 -0.40 -0.51 0.00 0.00 176.95 177.81 1lgn n ASP 161 N -1.31 2.82 -4.68 2.95 5.75 -1.26 -2.24 116.55 118.59 1lgn n ASP 161 Ca -0.06 -1.93 -0.30 0.00 -0.01 0.00 0.00 54.79 52.49 1lgn n ASP 161 Cb 0.58 -0.27 -0.10 0.00 -1.03 0.00 0.00 41.12 40.30 1lgn n ASP 161 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1lgn s SER 162 N -1.28 3.97 -0.56 -1.12 1.04 -1.26 -3.98 113.70 110.51 1lgn s SER 162 Ca 0.37 -1.49 -0.17 0.00 0.48 0.00 0.00 55.95 55.14 1lgn s SER 162 Cb 0.20 -0.02 0.12 0.00 0.10 0.00 0.00 66.02 66.42 1lgn s SER 162 CO 0.27 -0.61 0.56 -0.69 0.98 0.00 0.00 173.24 173.75 1lgn s VAL 163 N -2.78 5.09 0.40 5.02 1.01 -1.26 -2.65 120.40 125.22 1lgn s VAL 163 Ca 0.23 -1.35 -0.27 0.00 0.00 0.00 0.00 61.98 60.59 1lgn s VAL 163 Cb 0.07 -4.38 -0.10 0.00 0.00 0.00 0.00 36.38 31.96 1lgn s VAL 163 CO 0.12 -0.95 1.45 -0.76 0.00 0.00 0.00 175.10 174.96 1lgn s LEU 164 N 1.92 4.26 0.58 3.92 1.02 -1.26 -5.03 118.68 124.10 1lgn s LEU 164 Ca 0.06 2.97 -0.10 0.00 0.02 0.00 0.00 54.13 57.08 1lgn s LEU 164 Cb -0.28 -3.75 -0.04 0.00 0.02 0.00 0.00 46.19 42.13 1lgn s LEU 164 CO 0.04 -0.94 0.96 -2.16 0.02 0.00 0.00 176.35 174.28 1lgn s PRO 165 N -2.19 3.59 0.29 1.29 0.04 -1.26 -4.83 135.00 131.94 1lgn s PRO 165 Ca 0.55 0.61 -0.01 0.00 0.04 0.00 0.00 61.00 62.19 1lgn s PRO 165 Cb -0.45 -2.16 0.67 0.00 0.04 0.00 0.00 34.50 32.60 1lgn s PRO 165 CO 0.60 -0.47 1.58 -1.35 0.04 0.00 0.00 177.00 177.40 1lgn h PRO 166 N -0.15 0.03 -0.62 0.56 0.11 -2.00 0.11 132.00 130.05 1lgn h PRO 166 Ca -0.45 -0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.72 1lgn h PRO 166 Cb 1.19 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.24 1lgn h PRO 166 CO 0.62 0.02 0.33 0.93 -0.21 0.00 0.00 178.00 179.69 1lgn h GLU 167 N 0.03 0.60 0.00 1.05 3.07 -1.99 -1.34 114.58 116.00 1lgn h GLU 167 Ca 0.55 -0.04 -0.08 0.00 -0.50 0.00 0.00 59.36 59.30 1lgn h GLU 167 Cb 1.09 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.85 1lgn h GLU 167 CO -0.89 0.40 -0.37 -0.91 -1.40 0.00 0.00 179.01 175.84 1lgn h ASN 168 N 0.62 0.00 0.13 1.42 2.35 -1.16 -2.09 115.58 116.85 1lgn h ASN 168 Ca 0.28 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.02 1lgn h ASN 168 Cb 0.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.56 1lgn h ASN 168 CO -0.18 0.37 -0.06 0.40 -1.65 0.00 0.00 177.43 176.31 1lgn h ILE 169 N 0.00 1.05 -0.28 2.81 1.08 -0.69 -2.82 117.51 118.66 1lgn h ILE 169 Ca -0.00 -1.03 0.01 0.00 -0.39 0.00 0.00 64.86 63.45 1lgn h ILE 169 Cb 0.79 1.66 -0.01 0.00 -3.07 0.00 0.00 36.82 36.19 1lgn h ILE 169 CO 0.05 0.23 0.18 -0.07 -0.69 0.00 0.00 178.15 177.85 1lgn h LEU 170 N -0.68 0.29 -0.22 1.44 3.38 -1.22 -0.92 115.31 117.37 1lgn h LEU 170 Ca -0.02 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1lgn h LEU 170 Cb 0.51 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1lgn h LEU 170 CO 0.03 0.20 0.01 0.28 0.09 0.00 0.00 178.44 179.05 1lgn h SER 171 N 0.34 0.38 -0.99 -0.43 0.02 -1.39 0.12 113.55 111.59 1lgn h SER 171 Ca 0.11 -0.30 0.03 0.00 -0.84 0.00 0.00 61.79 60.79 1lgn h SER 171 Cb 0.01 -0.10 -0.06 0.00 0.14 0.00 0.00 62.40 62.40 1lgn h SER 171 CO -0.02 0.59 0.65 0.00 -1.14 0.00 0.00 176.83 176.91 1lgn h ALA 172 N 0.81 1.35 -0.53 3.77 0.00 -1.06 -0.54 119.26 123.05 1lgn h ALA 172 Ca 0.06 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1lgn h ALA 172 Cb 0.39 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1lgn h ALA 172 CO 0.01 0.56 -0.05 -0.92 0.00 0.00 0.00 179.25 178.85 1lgn h TYR 173 N 1.27 1.03 0.00 0.00 3.20 -0.89 -2.62 116.97 118.96 1lgn h TYR 173 Ca 0.39 -0.18 0.00 0.00 3.14 0.00 0.00 58.73 62.08 1lgn h TYR 173 Cb -0.01 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 37.99 1lgn h TYR 173 CO -0.00 0.95 0.00 1.04 -1.64 0.00 0.00 178.16 178.51 1lgn n GLN 174 N -4.17 0.60 -0.08 1.82 6.02 0.37 -4.91 117.38 117.03 1lgn n GLN 174 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 1lgn n GLN 174 Cb 0.36 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.12 1lgn n GLN 174 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1lgn n GLY 175 N 1.18 0.87 2.52 1.08 0.00 -0.41 -5.01 105.19 105.42 1lgn n GLY 175 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 1lgn n GLY 175 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1lgn n THR 176 N -2.07 1.50 -1.50 2.61 -2.24 -0.44 -5.00 114.28 107.15 1lgn n THR 176 Ca 0.00 -5.01 -0.33 0.00 -2.27 0.00 0.00 64.05 56.44 1lgn n THR 176 Cb 0.00 -1.33 0.08 0.00 -2.10 0.00 0.00 70.33 66.98 1lgn n THR 176 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1lgn s PRO 177 N -2.64 2.36 0.50 -0.78 0.04 -1.25 -4.34 135.00 128.87 1lgn s PRO 177 Ca 0.43 1.50 -0.19 0.00 0.04 0.00 0.00 61.00 62.78 1lgn s PRO 177 Cb 0.25 -1.89 -0.08 0.00 0.04 0.00 0.00 34.50 32.83 1lgn s PRO 177 CO -0.09 -1.61 1.01 -0.51 0.04 0.00 0.00 177.00 175.84 1lgn s LEU 178 N -5.24 3.77 0.18 -3.56 1.02 -1.26 -4.95 118.68 108.64 1lgn s LEU 178 Ca 0.69 1.79 -0.32 0.00 0.02 0.00 0.00 54.13 56.31 1lgn s LEU 178 Cb -0.23 -4.54 -0.11 0.00 0.02 0.00 0.00 46.19 41.33 1lgn s LEU 178 CO 0.46 -0.71 1.69 -2.84 0.02 0.00 0.00 176.35 174.96 1lgn s PRO 179 N -3.50 4.16 0.29 1.29 0.02 -1.26 -4.97 135.00 131.03 1lgn s PRO 179 Ca 0.64 2.52 -0.10 0.00 0.02 0.00 0.00 61.00 64.07 1lgn s PRO 179 Cb -0.13 -3.20 -0.07 0.00 0.02 0.00 0.00 34.50 31.11 1lgn s PRO 179 CO 0.23 -0.72 0.63 0.00 -0.33 0.00 0.00 177.00 176.81 1lgn s ALA 180 N 1.47 3.48 -0.21 -1.55 0.00 -1.26 -5.01 121.76 118.68 1lgn s ALA 180 Ca 0.74 -0.25 0.08 0.00 0.00 0.00 0.00 51.96 52.54 1lgn s ALA 180 Cb -0.47 -2.53 -0.10 0.00 0.00 0.00 0.00 23.12 20.02 1lgn s ALA 180 CO 0.32 0.33 0.27 0.27 0.00 0.00 0.00 175.76 176.95 1lgn n ASN 181 N -0.55 1.59 -0.12 0.00 0.23 -1.20 -4.68 115.26 110.54 1lgn n ASN 181 Ca 0.01 -0.38 -0.16 0.00 -0.53 0.00 0.00 54.58 53.52 1lgn n ASN 181 Cb 0.53 1.17 -0.13 0.00 -2.08 0.00 0.00 39.78 39.27 1lgn n ASN 181 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 1lgn n ILE 182 N -1.45 1.44 -3.69 1.53 5.41 0.14 -4.64 119.36 118.11 1lgn n ILE 182 Ca 0.00 -0.64 -0.10 0.00 1.00 0.00 0.00 62.75 63.01 1lgn n ILE 182 Cb 0.16 -1.15 -0.11 0.00 -0.71 0.00 0.00 39.64 37.84 1lgn n ILE 182 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1lgn s LEU 183 N -6.22 -0.21 -0.07 1.39 1.02 -1.01 -4.25 118.68 109.33 1lgn s LEU 183 Ca -0.28 0.90 0.00 0.00 0.02 0.00 0.00 54.13 54.78 1lgn s LEU 183 Cb 0.08 1.33 0.02 0.00 0.02 0.00 0.00 46.19 47.64 1lgn s LEU 183 CO 0.66 -0.20 -0.06 -0.62 0.02 0.00 0.00 176.35 176.14 1lgn s ASP 184 N 1.69 1.53 0.48 2.29 -1.08 -1.26 -1.15 116.67 119.17 1lgn s ASP 184 Ca -0.08 -0.20 0.14 0.00 -0.52 0.00 0.00 52.55 51.90 1lgn s ASP 184 Cb -0.09 -0.62 1.14 0.00 -1.46 0.00 0.00 42.92 41.89 1lgn s ASP 184 CO -0.13 -0.08 2.09 -0.25 0.52 0.00 0.00 175.17 177.33 1lgn h TRP 185 N 7.59 0.08 -0.17 -5.34 2.91 -1.78 -1.01 115.95 118.24 1lgn h TRP 185 Ca -0.31 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.71 1lgn h TRP 185 Cb 1.15 -0.03 0.00 0.00 -0.51 0.00 0.00 29.16 29.77 1lgn h TRP 185 CO 0.49 0.10 0.00 1.04 -1.03 0.00 0.00 178.44 179.03 1lgn n GLN 186 N -4.47 1.43 -2.70 2.65 6.02 -1.26 -1.12 117.38 117.93 1lgn n GLN 186 Ca -0.02 -0.67 -0.06 0.00 -0.01 0.00 0.00 57.00 56.24 1lgn n GLN 186 Cb 0.13 -1.19 0.09 0.00 1.02 0.00 0.00 30.24 30.29 1lgn n GLN 186 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1lgn n ALA 187 N 0.01 -1.32 -2.18 -1.58 0.00 -0.46 -4.01 120.51 110.97 1lgn n ALA 187 Ca 0.08 -1.03 -0.37 0.00 0.00 0.00 0.00 53.44 52.12 1lgn n ALA 187 Cb 0.17 -1.70 -0.06 0.00 0.00 0.00 0.00 19.45 17.86 1lgn n ALA 187 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1lgn s LEU 188 N -2.08 4.43 -0.52 0.00 2.96 0.19 -4.50 118.68 119.16 1lgn s LEU 188 Ca 0.20 1.34 -0.00 0.00 -0.22 0.00 0.00 54.13 55.44 1lgn s LEU 188 Cb 0.29 -3.30 0.14 0.00 0.50 0.00 0.00 46.19 43.82 1lgn s LEU 188 CO -0.10 0.14 0.30 0.21 -1.32 0.00 0.00 176.35 175.58 1lgn s ASN 189 N -1.45 4.93 0.51 3.68 2.47 -1.26 -1.25 114.94 122.56 1lgn s ASN 189 Ca 0.37 -2.67 0.01 0.00 0.42 0.00 0.00 52.86 51.00 1lgn s ASN 189 Cb -0.18 -1.77 -0.01 0.00 -1.45 0.00 0.00 41.25 37.84 1lgn s ASN 189 CO 0.21 -0.36 0.02 -0.72 -3.72 0.00 0.00 177.10 172.52 1lgn s TYR 190 N 0.20 1.87 -0.35 0.43 1.13 -1.26 -0.63 117.35 118.74 1lgn s TYR 190 Ca 0.15 -0.94 0.03 0.00 -1.41 0.00 0.00 57.07 54.90 1lgn s TYR 190 Cb -0.22 -1.63 0.16 0.00 -1.10 0.00 0.00 41.96 39.17 1lgn s TYR 190 CO -0.03 0.21 0.43 -2.00 -2.51 0.00 0.00 175.55 171.64 1lgn s GLU 191 N -3.89 0.59 0.27 -3.49 2.12 -0.23 -4.94 118.70 109.13 1lgn s GLU 191 Ca 0.07 -0.45 -0.30 0.00 0.36 0.00 0.00 54.97 54.66 1lgn s GLU 191 Cb 0.02 -0.46 -0.11 0.00 0.26 0.00 0.00 34.13 33.84 1lgn s GLU 191 CO 0.04 -1.14 1.49 0.42 -0.54 0.00 0.00 175.26 175.52 1lgn s ILE 192 N 1.86 2.44 -0.10 -3.70 1.01 -1.26 -2.09 121.20 119.36 1lgn s ILE 192 Ca 0.14 0.38 -0.03 0.00 0.00 0.00 0.00 60.65 61.14 1lgn s ILE 192 Cb -0.12 -3.24 0.05 0.00 0.01 0.00 0.00 42.46 39.15 1lgn s ILE 192 CO -0.13 0.06 0.10 -0.13 0.00 0.00 0.00 174.94 174.84 1lgn s ARG 193 N -0.53 -0.00 0.04 2.79 0.52 -0.59 -4.97 118.95 116.21 1lgn s ARG 193 Ca 0.60 0.27 0.00 0.00 -0.52 0.00 0.00 55.73 56.08 1lgn s ARG 193 Cb -0.44 -0.88 0.00 0.00 0.52 0.00 0.00 34.95 34.15 1lgn s ARG 193 CO 0.46 -0.44 0.00 0.41 0.02 0.00 0.00 175.30 175.75 1lgn n GLY 194 N 5.30 -1.87 3.48 -3.53 0.00 -1.26 -1.13 105.19 106.18 1lgn n GLY 194 Ca -0.05 -2.00 -0.43 0.00 0.00 0.00 0.00 46.02 43.55 1lgn n GLY 194 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1lgn s TYR 195 N 0.00 2.68 -0.16 1.61 5.04 -1.26 -4.89 117.35 120.36 1lgn s TYR 195 Ca 0.00 -0.64 -0.05 0.00 -2.44 0.00 0.00 57.07 53.94 1lgn s TYR 195 Cb 0.00 -4.38 0.08 0.00 0.35 0.00 0.00 41.96 38.01 1lgn s TYR 195 CO 0.00 -1.71 0.31 0.54 -1.34 0.00 0.00 175.55 173.35 1lgn s VAL 196 N 4.17 -0.49 0.17 3.14 0.11 -1.26 -4.48 120.40 121.76 1lgn s VAL 196 Ca 0.28 0.23 -0.01 0.00 -2.93 0.00 0.00 61.98 59.55 1lgn s VAL 196 Cb -0.12 -0.53 -0.04 0.00 -1.53 0.00 0.00 36.38 34.16 1lgn s VAL 196 CO 0.06 0.09 0.35 -0.63 -3.33 0.00 0.00 175.10 171.64 1lgn s ILE 197 N 2.48 5.24 -0.14 7.04 -1.09 -0.95 -4.92 121.20 128.85 1lgn s ILE 197 Ca 0.01 -0.35 -0.02 0.00 -2.23 0.00 0.00 60.65 58.06 1lgn s ILE 197 Cb -0.12 -3.71 -0.02 0.00 -1.58 0.00 0.00 42.46 37.03 1lgn s ILE 197 CO -0.10 -0.10 -0.09 -0.63 -1.23 0.00 0.00 174.94 172.80 1lgn s ILE 198 N -1.78 3.46 0.17 2.92 1.01 -1.26 -0.27 121.20 125.44 1lgn s ILE 198 Ca 0.38 -0.51 -0.03 0.00 0.00 0.00 0.00 60.65 60.49 1lgn s ILE 198 Cb -0.11 -2.49 -0.03 0.00 0.01 0.00 0.00 42.46 39.84 1lgn s ILE 198 CO 0.28 0.51 0.14 -0.54 0.00 0.00 0.00 174.94 175.33 1lgn s LYS 199 N 0.32 1.09 0.57 2.79 -0.14 -0.73 -4.97 119.74 118.67 1lgn s LYS 199 Ca -0.07 -1.45 -0.16 0.00 -1.36 0.00 0.00 55.97 52.92 1lgn s LYS 199 Cb -0.15 0.28 -0.05 0.00 -1.68 0.00 0.00 37.83 36.24 1lgn s LYS 199 CO 0.04 -0.35 1.04 -1.25 -0.76 0.00 0.00 175.35 174.08 1lgn s PRO 200 N -4.07 3.48 -0.77 -1.68 0.04 -1.26 -0.17 135.00 130.57 1lgn s PRO 200 Ca 0.28 1.19 -0.26 0.00 0.04 0.00 0.00 61.00 62.25 1lgn s PRO 200 Cb 0.06 -2.06 0.04 0.00 0.04 0.00 0.00 34.50 32.59 1lgn s PRO 200 CO 0.05 -0.68 1.26 -1.17 0.04 0.00 0.00 177.00 176.50 1lgn s LEU 201 N -4.29 3.40 0.08 -3.56 2.96 -0.43 -4.67 118.68 112.17 1lgn s LEU 201 Ca 0.63 -0.68 0.23 0.00 -0.22 0.00 0.00 54.13 54.10 1lgn s LEU 201 Cb -0.15 -2.54 0.07 0.00 0.50 0.00 0.00 46.19 44.07 1lgn s LEU 201 CO 0.34 -1.73 1.05 1.33 -1.32 0.00 0.00 176.35 176.01 1lgn n VAL 202 N 6.37 0.26 -0.44 1.68 0.24 -1.26 -4.43 118.33 120.74 1lgn n VAL 202 Ca 0.06 -0.31 0.06 0.00 -2.04 0.00 0.00 64.34 62.11 1lgn n VAL 202 Cb 0.49 0.06 0.31 0.00 -1.47 0.00 0.00 33.84 33.23 1lgn n VAL 202 CO 0.00 0.00 0.00 -2.67 -2.14 0.00 0.00 176.83 172.02 1lgn n TRP 203 N -2.11 1.58 -0.50 6.34 4.27 -1.26 -5.29 117.44 120.47 1lgn n TRP 203 Ca 0.02 -0.56 0.00 0.00 -3.89 0.00 0.00 57.50 53.07 1lgn n TRP 203 Cb 0.46 -0.39 0.00 0.00 -1.36 0.00 0.00 31.31 30.02 1lgn n TRP 203 CO 0.00 0.00 0.00 0.28 -2.29 0.00 0.00 177.69 175.68