#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i8i s ILE 2 N 0.00 2.05 0.14 0.53 1.01 -1.26 -5.03 121.20 118.64 1i8i s ILE 2 Ca 0.00 -0.96 -0.21 0.00 0.00 0.00 0.00 60.65 59.47 1i8i s ILE 2 Cb 0.00 -1.87 -0.08 0.00 0.01 0.00 0.00 42.46 40.53 1i8i s ILE 2 CO 0.00 0.51 0.68 -0.70 0.00 0.00 0.00 174.94 175.43 1i8i s GLU 3 N 1.29 4.34 -0.13 2.79 2.12 -1.26 -4.72 118.70 123.12 1i8i s GLU 3 Ca 0.04 0.91 0.03 0.00 0.36 0.00 0.00 54.97 56.31 1i8i s GLU 3 Cb -0.13 -3.15 0.01 0.00 0.26 0.00 0.00 34.13 31.11 1i8i s GLU 3 CO -0.13 0.55 -0.22 -0.51 -0.54 0.00 0.00 175.26 174.42 1i8i s LEU 4 N -1.36 2.08 -0.25 2.70 1.02 -1.26 -1.14 118.68 120.47 1i8i s LEU 4 Ca 0.35 -0.59 0.02 0.00 0.02 0.00 0.00 54.13 53.94 1i8i s LEU 4 Cb -0.20 -1.41 0.06 0.00 0.02 0.00 0.00 46.19 44.65 1i8i s LEU 4 CO 0.22 0.08 -0.11 -0.89 0.02 0.00 0.00 176.35 175.68 1i8i s THR 5 N 0.78 2.04 0.27 5.49 2.01 -0.28 -4.57 115.64 121.38 1i8i s THR 5 Ca -0.08 -1.49 -0.18 0.00 0.31 0.00 0.00 61.69 60.25 1i8i s THR 5 Cb -0.16 -2.15 -0.09 0.00 0.01 0.00 0.00 72.50 70.12 1i8i s THR 5 CO -0.01 0.02 0.75 -1.58 -0.69 0.00 0.00 174.62 173.10 1i8i s GLN 6 N 1.17 4.19 -0.15 4.92 0.74 -1.26 -0.91 119.66 128.36 1i8i s GLN 6 Ca -0.07 0.83 -0.22 0.00 0.05 0.00 0.00 55.36 55.96 1i8i s GLN 6 Cb -0.19 -2.71 0.05 0.00 1.10 0.00 0.00 33.01 31.26 1i8i s GLN 6 CO -0.06 0.30 0.56 0.45 -0.55 0.00 0.00 175.29 175.99 1i8i s SER 7 N -1.86 -0.56 0.86 6.67 0.15 0.15 -4.73 113.70 114.38 1i8i s SER 7 Ca 0.47 0.92 -0.13 0.00 0.70 0.00 0.00 55.95 57.91 1i8i s SER 7 Cb -0.14 0.92 0.12 0.00 -1.71 0.00 0.00 66.02 65.21 1i8i s SER 7 CO 0.20 -0.32 1.21 -2.16 1.20 0.00 0.00 173.24 173.37 1i8i s PRO 8 N -0.25 1.48 0.21 5.44 0.04 -1.26 0.70 135.00 141.35 1i8i s PRO 8 Ca -0.04 -0.15 -0.08 0.00 0.04 0.00 0.00 61.00 60.76 1i8i s PRO 8 Cb -0.03 -1.94 0.15 0.00 0.04 0.00 0.00 34.50 32.71 1i8i s PRO 8 CO 0.03 -1.87 1.78 0.00 0.04 0.00 0.00 177.00 176.98 1i8i h ALA 9 N -1.23 1.00 -2.06 8.56 0.00 -1.87 -3.41 119.26 120.25 1i8i h ALA 9 Ca -0.45 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.27 1i8i h ALA 9 Cb 1.29 -0.30 -0.19 0.00 0.00 0.00 0.00 17.79 18.59 1i8i h ALA 9 CO 0.54 0.61 0.29 -1.12 0.00 0.00 0.00 179.25 179.57 1i8i s SER 10 N -6.28 -0.56 0.07 0.00 0.01 -1.26 -3.31 113.70 102.36 1i8i s SER 10 Ca -0.12 0.50 -0.12 0.00 1.31 0.00 0.00 55.95 57.52 1i8i s SER 10 Cb 0.15 0.49 0.01 0.00 0.21 0.00 0.00 66.02 66.88 1i8i s SER 10 CO 0.83 -0.60 0.26 -1.48 0.41 0.00 0.00 173.24 172.66 1i8i s LEU 11 N -1.47 1.08 -0.06 2.44 2.34 -0.10 -4.91 118.68 118.00 1i8i s LEU 11 Ca -0.06 -0.39 0.02 0.00 0.06 0.00 0.00 54.13 53.76 1i8i s LEU 11 Cb -0.00 1.24 0.02 0.00 -0.56 0.00 0.00 46.19 46.89 1i8i s LEU 11 CO 0.04 -0.67 -0.09 -0.44 -1.06 0.00 0.00 176.35 174.13 1i8i s SER 12 N -2.42 1.50 0.24 1.48 0.01 -1.26 0.42 113.70 113.67 1i8i s SER 12 Ca -0.01 -0.23 0.02 0.00 1.31 0.00 0.00 55.95 57.04 1i8i s SER 12 Cb 0.01 -0.69 -0.05 0.00 0.21 0.00 0.00 66.02 65.51 1i8i s SER 12 CO -0.07 -0.01 0.03 -0.69 0.41 0.00 0.00 173.24 172.91 1i8i s VAL 13 N 0.85 0.82 0.09 3.43 1.01 -1.26 -4.93 120.40 120.41 1i8i s VAL 13 Ca -0.12 -2.01 0.03 0.00 0.00 0.00 0.00 61.98 59.88 1i8i s VAL 13 Cb -0.15 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 1i8i s VAL 13 CO 0.01 -0.23 0.12 0.00 0.00 0.00 0.00 175.10 175.01 1i8i s ALA 14 N -3.57 3.65 0.06 5.51 0.00 -1.26 -4.95 121.76 121.20 1i8i s ALA 14 Ca 0.31 -1.02 -0.31 0.00 0.00 0.00 0.00 51.96 50.95 1i8i s ALA 14 Cb 0.07 -1.50 -0.08 0.00 0.00 0.00 0.00 23.12 21.61 1i8i s ALA 14 CO 0.10 0.71 1.58 0.95 0.00 0.00 0.00 175.76 179.10 1i8i s THR 15 N -1.48 3.18 0.00 0.00 -4.23 -1.26 -1.16 115.64 110.69 1i8i s THR 15 Ca 0.31 0.65 0.00 0.00 -1.18 0.00 0.00 61.69 61.46 1i8i s THR 15 Cb -0.12 -3.42 0.00 0.00 1.34 0.00 0.00 72.50 70.30 1i8i s THR 15 CO 0.23 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.93 1i8i n GLY 16 N 3.88 2.13 3.80 3.99 0.00 0.19 -4.86 105.19 114.31 1i8i n GLY 16 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 1i8i n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i8i s GLU 17 N -0.27 2.73 -0.01 1.61 2.02 -0.31 -4.06 118.70 120.42 1i8i s GLU 17 Ca 0.00 1.08 -0.12 0.00 0.02 0.00 0.00 54.97 55.95 1i8i s GLU 17 Cb 0.00 -1.96 -0.05 0.00 0.10 0.00 0.00 34.13 32.22 1i8i s GLU 17 CO 0.00 -1.27 0.35 0.21 0.02 0.00 0.00 175.26 174.57 1i8i s LYS 18 N -4.85 3.78 0.15 1.61 2.20 -1.25 -0.81 119.74 120.57 1i8i s LYS 18 Ca 0.60 0.24 0.08 0.00 -0.36 0.00 0.00 55.97 56.52 1i8i s LYS 18 Cb -0.16 -3.16 -0.04 0.00 -1.51 0.00 0.00 37.83 32.96 1i8i s LYS 18 CO 0.53 0.68 -0.17 0.14 -0.36 0.00 0.00 175.35 176.17 1i8i s VAL 19 N -1.14 1.67 -0.04 4.02 -7.23 -0.96 -4.97 120.40 111.75 1i8i s VAL 19 Ca 0.24 -1.87 0.00 0.00 -1.81 0.00 0.00 61.98 58.54 1i8i s VAL 19 Cb -0.15 -1.76 0.03 0.00 0.56 0.00 0.00 36.38 35.05 1i8i s VAL 19 CO 0.13 -0.36 -0.01 -0.89 -0.31 0.00 0.00 175.10 173.66 1i8i s THR 20 N -2.13 0.27 -0.10 5.32 2.01 -1.26 -2.35 115.64 117.40 1i8i s THR 20 Ca 0.14 0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.20 1i8i s THR 20 Cb -0.05 -0.35 0.02 0.00 0.01 0.00 0.00 72.50 72.12 1i8i s THR 20 CO 0.05 0.17 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.39 1i8i s ILE 21 N 1.06 1.33 0.15 1.82 1.01 -0.69 -4.65 121.20 121.23 1i8i s ILE 21 Ca -0.09 -0.54 0.04 0.00 0.00 0.00 0.00 60.65 60.06 1i8i s ILE 21 Cb -0.14 -1.24 -0.04 0.00 0.01 0.00 0.00 42.46 41.06 1i8i s ILE 21 CO -0.01 0.41 0.17 -0.13 0.00 0.00 0.00 174.94 175.37 1i8i s ARG 22 N 1.02 3.04 -0.10 2.79 0.52 0.22 -0.43 118.95 126.01 1i8i s ARG 22 Ca -0.07 -0.78 -0.03 0.00 -0.52 0.00 0.00 55.73 54.33 1i8i s ARG 22 Cb -0.15 -2.74 0.05 0.00 0.52 0.00 0.00 34.95 32.63 1i8i s ARG 22 CO -0.01 0.50 0.13 0.00 0.02 0.00 0.00 175.30 175.94 1i8i s MET 24 N 2.24 2.49 0.14 0.00 -1.94 -0.09 -1.72 119.30 120.42 1i8i s MET 24 Ca 0.04 -0.72 0.08 0.00 -1.71 0.00 0.00 55.69 53.38 1i8i s MET 24 Cb -0.13 -2.41 -0.04 0.00 2.01 0.00 0.00 34.83 34.25 1i8i s MET 24 CO -0.06 0.61 -0.09 0.95 -0.01 0.00 0.00 175.02 176.42 1i8i s THR 25 N -0.83 3.32 0.23 2.05 -4.23 0.18 -1.13 115.64 115.24 1i8i s THR 25 Ca 0.13 -1.43 0.31 0.00 -1.18 0.00 0.00 61.69 59.52 1i8i s THR 25 Cb -0.11 -2.60 0.33 0.00 1.34 0.00 0.00 72.50 71.47 1i8i s THR 25 CO 0.03 0.01 2.00 0.77 -0.54 0.00 0.00 174.62 176.88 1i8i h SER 26 N 3.27 0.00 -5.30 3.99 4.64 -1.45 -3.45 113.55 115.25 1i8i h SER 26 Ca -0.48 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.71 1i8i h SER 26 Cb 1.18 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.13 1i8i h SER 26 CO 0.53 0.09 -0.57 -0.89 -0.87 0.00 0.00 176.83 175.12 1i8i s THR 27 N -3.82 0.15 0.17 2.95 2.01 -1.26 -5.01 115.64 110.83 1i8i s THR 27 Ca -0.00 -1.69 -0.32 0.00 0.31 0.00 0.00 61.69 59.99 1i8i s THR 27 Cb 0.11 -1.72 -0.11 0.00 0.01 0.00 0.00 72.50 70.79 1i8i s THR 27 CO 0.56 -0.67 1.79 -0.67 -0.69 0.00 0.00 174.62 174.94 1i8i n ASP 28 N -0.03 4.03 -0.65 3.53 -0.08 -1.26 -4.59 116.55 117.51 1i8i n ASP 28 Ca -0.10 1.02 0.07 0.00 -1.51 0.00 0.00 54.79 54.27 1i8i n ASP 28 Cb 0.62 -1.56 0.20 0.00 2.34 0.00 0.00 41.12 42.72 1i8i n ASP 28 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1i8i n ILE 29 N 4.35 1.79 -4.09 5.18 0.13 -0.46 -4.98 119.36 121.28 1i8i n ILE 29 Ca 0.17 -1.63 -0.34 0.00 -1.10 0.00 0.00 62.75 59.85 1i8i n ILE 29 Cb 0.36 0.01 -0.05 0.00 -0.84 0.00 0.00 39.64 39.12 1i8i n ILE 29 CO 0.00 0.00 0.00 -0.67 2.80 0.00 0.00 176.55 178.68 1i8i n ASP 30 N -0.35 -2.36 -1.95 9.51 2.03 -1.26 -0.99 116.55 121.17 1i8i n ASP 30 Ca 0.16 -0.89 -0.20 0.00 0.52 0.00 0.00 54.79 54.38 1i8i n ASP 30 Cb 0.69 -2.01 -0.05 0.00 -0.72 0.00 0.00 41.12 39.02 1i8i n ASP 30 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1i8i n ASP 31 N -2.38 -5.59 -3.70 1.67 8.00 -1.26 -4.85 116.55 108.44 1i8i n ASP 31 Ca 0.08 0.28 -0.41 0.00 0.71 0.00 0.00 54.79 55.45 1i8i n ASP 31 Cb 0.48 -4.81 0.00 0.00 -0.02 0.00 0.00 41.12 36.77 1i8i n ASP 31 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1i8i n ASP 32 N -1.63 6.64 -4.63 -2.24 10.43 -0.16 -0.69 116.55 124.26 1i8i n ASP 32 Ca -0.22 -3.20 -0.34 0.00 2.57 0.00 0.00 54.79 53.59 1i8i n ASP 32 Cb 0.68 -1.38 -0.10 0.00 1.84 0.00 0.00 41.12 42.15 1i8i n ASP 32 CO 0.00 0.00 0.00 -0.32 -1.07 0.00 0.00 177.20 175.81 1i8i s MET 33 N -0.95 3.02 0.03 -1.24 1.75 -1.26 -1.59 119.30 119.07 1i8i s MET 33 Ca 0.45 -0.45 0.02 0.00 -1.25 0.00 0.00 55.69 54.45 1i8i s MET 33 Cb 0.14 -2.76 -0.02 0.00 2.84 0.00 0.00 34.83 35.02 1i8i s MET 33 CO -0.04 0.63 -0.07 -0.80 -0.65 0.00 0.00 175.02 174.09 1i8i s ASN 34 N -0.69 0.84 -0.03 1.11 0.01 0.16 -3.35 114.94 112.98 1i8i s ASN 34 Ca 0.11 -0.41 0.07 0.00 -0.71 0.00 0.00 52.86 51.92 1i8i s ASN 34 Cb -0.12 -0.00 -0.02 0.00 0.41 0.00 0.00 41.25 41.53 1i8i s ASN 34 CO 0.02 -0.11 -0.24 0.26 -1.51 0.00 0.00 177.10 175.52 1i8i s TRP 35 N -0.98 2.24 0.18 2.20 0.52 -0.31 -0.49 118.94 122.30 1i8i s TRP 35 Ca -0.06 -0.51 0.09 0.00 0.02 0.00 0.00 56.10 55.64 1i8i s TRP 35 Cb -0.08 -1.46 -0.04 0.00 -1.15 0.00 0.00 33.47 30.75 1i8i s TRP 35 CO 0.00 -0.10 -0.18 0.71 0.02 0.00 0.00 176.95 177.41 1i8i s TYR 36 N -0.42 1.84 -0.04 -1.98 1.51 0.49 -0.70 117.35 118.04 1i8i s TYR 36 Ca 0.05 -0.47 0.01 0.00 -1.01 0.00 0.00 57.07 55.64 1i8i s TYR 36 Cb -0.11 -0.90 0.02 0.00 -0.11 0.00 0.00 41.96 40.87 1i8i s TYR 36 CO 0.01 0.36 -0.03 -1.14 -1.11 0.00 0.00 175.55 173.64 1i8i s GLN 37 N -2.96 0.64 -0.20 -0.62 0.74 -0.23 -1.53 119.66 115.51 1i8i s GLN 37 Ca 0.18 -0.03 0.01 0.00 0.05 0.00 0.00 55.36 55.56 1i8i s GLN 37 Cb -0.05 -0.73 0.04 0.00 1.10 0.00 0.00 33.01 33.37 1i8i s GLN 37 CO 0.07 -0.11 -0.12 -1.14 -0.55 0.00 0.00 175.29 173.44 1i8i s GLN 38 N 1.02 2.17 0.23 1.67 0.74 0.43 0.09 119.66 126.01 1i8i s GLN 38 Ca -0.10 -0.85 -0.18 0.00 0.05 0.00 0.00 55.36 54.28 1i8i s GLN 38 Cb -0.14 -2.44 -0.08 0.00 1.10 0.00 0.00 33.01 31.45 1i8i s GLN 38 CO -0.01 -0.40 0.71 0.15 -0.55 0.00 0.00 175.29 175.19 1i8i s LYS 39 N 1.37 4.18 -0.24 1.67 1.02 -1.26 -0.94 119.74 125.55 1i8i s LYS 39 Ca -0.01 0.80 -0.38 0.00 0.02 0.00 0.00 55.97 56.41 1i8i s LYS 39 Cb -0.16 -2.82 -0.14 0.00 -0.52 0.00 0.00 37.83 34.20 1i8i s LYS 39 CO -0.09 0.37 1.87 -0.35 -0.92 0.00 0.00 175.35 176.23 1i8i n PRO 40 N 0.57 1.45 -2.53 -1.68 -0.04 -1.26 -2.13 135.00 129.37 1i8i n PRO 40 Ca -0.02 0.51 -0.06 0.00 -0.04 0.00 0.00 63.50 63.90 1i8i n PRO 40 Cb 0.51 -2.33 0.01 0.00 -0.04 0.00 0.00 33.50 31.66 1i8i n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1i8i n GLY 41 N 4.68 0.44 3.23 0.55 0.00 -1.26 -5.04 105.19 107.78 1i8i n GLY 41 Ca 0.28 -0.53 -0.13 0.00 0.00 0.00 0.00 46.02 45.64 1i8i n GLY 41 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1i8i s GLU 42 N -4.94 1.06 0.70 1.61 -1.05 -0.91 -5.15 118.70 110.03 1i8i s GLU 42 Ca 0.09 -1.50 -0.14 0.00 -0.15 0.00 0.00 54.97 53.28 1i8i s GLU 42 Cb -0.04 -0.28 0.02 0.00 -0.44 0.00 0.00 34.13 33.39 1i8i s GLU 42 CO 0.11 -0.10 1.12 -2.14 0.95 0.00 0.00 175.26 175.20 1i8i s PRO 43 N -3.89 2.54 0.47 -4.83 0.02 -1.26 -4.64 135.00 123.41 1i8i s PRO 43 Ca 0.21 1.40 -0.24 0.00 0.02 0.00 0.00 61.00 62.39 1i8i s PRO 43 Cb 0.06 -1.92 -0.08 0.00 0.02 0.00 0.00 34.50 32.58 1i8i s PRO 43 CO 0.02 -1.45 1.25 -2.30 -0.33 0.00 0.00 177.00 174.19 1i8i n PRO 44 N -2.75 1.77 -4.63 5.54 -0.02 -1.26 -4.67 135.00 128.99 1i8i n PRO 44 Ca 0.11 0.64 -0.33 0.00 -2.02 0.00 0.00 63.50 61.89 1i8i n PRO 44 Cb 0.52 -2.40 -0.13 0.00 -0.02 0.00 0.00 33.50 31.47 1i8i n PRO 44 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1i8i s LYS 45 N -2.40 3.24 -0.27 -0.52 2.20 0.11 -4.90 119.74 117.20 1i8i s LYS 45 Ca 0.65 -0.60 -0.29 0.00 -0.36 0.00 0.00 55.97 55.37 1i8i s LYS 45 Cb -0.48 -2.69 -0.00 0.00 -1.51 0.00 0.00 37.83 33.15 1i8i s LYS 45 CO 0.55 0.37 1.35 0.12 -0.36 0.00 0.00 175.35 177.38 1i8i s PHE 46 N -0.04 2.61 -0.25 4.03 5.99 -1.26 -1.07 117.98 127.99 1i8i s PHE 46 Ca -0.01 0.83 -0.10 0.00 0.00 0.00 0.00 56.93 57.65 1i8i s PHE 46 Cb -0.14 -3.88 -0.15 0.00 0.00 0.00 0.00 43.02 38.85 1i8i s PHE 46 CO 0.03 -1.91 -0.20 1.28 -0.00 0.00 0.00 175.22 174.42 1i8i n LEU 47 N 7.66 2.29 -3.86 6.12 4.77 0.12 -4.80 117.00 129.30 1i8i n LEU 47 Ca 0.15 0.20 -0.14 0.00 -0.03 0.00 0.00 56.01 56.20 1i8i n LEU 47 Cb 0.46 -0.88 -0.15 0.00 -2.33 0.00 0.00 43.42 40.52 1i8i n LEU 47 CO 0.63 0.67 -0.37 -0.63 -1.33 0.00 0.00 177.39 176.35 1i8i s ILE 48 N -2.50 0.08 0.43 -0.08 1.01 -1.08 -0.80 121.20 118.25 1i8i s ILE 48 Ca -0.35 0.01 0.07 0.00 0.00 0.00 0.00 60.65 60.38 1i8i s ILE 48 Cb 0.12 -0.12 -0.03 0.00 0.01 0.00 0.00 42.46 42.44 1i8i s ILE 48 CO 0.55 0.06 0.26 -0.94 0.00 0.00 0.00 174.94 174.87 1i8i s SER 49 N 0.31 4.64 -0.01 3.58 1.04 -0.53 -1.16 113.70 121.58 1i8i s SER 49 Ca -0.03 -0.99 -0.34 0.00 0.48 0.00 0.00 55.95 55.08 1i8i s SER 49 Cb -0.05 -0.42 -0.17 0.00 0.10 0.00 0.00 66.02 65.49 1i8i s SER 49 CO -0.01 -0.63 0.90 -0.62 0.98 0.00 0.00 173.24 173.86 1i8i n GLU 50 N -1.38 0.00 -0.56 4.02 1.02 -1.21 -1.85 120.64 120.67 1i8i n GLU 50 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1i8i n GLU 50 Cb 0.64 -1.26 0.00 0.00 -0.02 0.00 0.00 31.44 30.80 1i8i n GLU 50 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1i8i n GLY 51 N 1.29 0.65 2.77 0.62 0.00 0.13 -4.28 105.19 106.38 1i8i n GLY 51 Ca 0.17 -0.60 -0.20 0.00 0.00 0.00 0.00 46.02 45.39 1i8i n GLY 51 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1i8i n ASN 52 N 1.09 -5.12 -4.64 1.61 3.02 -0.77 -4.96 115.26 105.48 1i8i n ASN 52 Ca 0.00 -0.11 -0.39 0.00 -0.03 0.00 0.00 54.58 54.04 1i8i n ASN 52 Cb 0.00 -4.23 -0.08 0.00 -0.61 0.00 0.00 39.78 34.87 1i8i n ASN 52 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1i8i s THR 53 N -2.96 5.13 0.26 3.41 -4.23 -0.85 -4.72 115.64 111.67 1i8i s THR 53 Ca 0.16 0.81 -0.31 0.00 -1.18 0.00 0.00 61.69 61.17 1i8i s THR 53 Cb -0.08 -3.79 -0.11 0.00 1.34 0.00 0.00 72.50 69.86 1i8i s THR 53 CO 0.20 0.16 1.63 -0.22 -0.54 0.00 0.00 174.62 175.85 1i8i s LEU 54 N 1.87 4.35 0.66 4.79 2.96 -1.26 -1.45 118.68 130.60 1i8i s LEU 54 Ca 0.20 2.90 -0.12 0.00 -0.22 0.00 0.00 54.13 56.90 1i8i s LEU 54 Cb -0.15 -3.62 -0.01 0.00 0.50 0.00 0.00 46.19 42.90 1i8i s LEU 54 CO 0.09 -0.92 1.05 -0.13 -1.32 0.00 0.00 176.35 175.12 1i8i s ARG 55 N 0.10 3.16 0.35 1.98 1.81 0.02 -4.88 118.95 121.49 1i8i s ARG 55 Ca 0.67 0.96 -0.28 0.00 -1.72 0.00 0.00 55.73 55.36 1i8i s ARG 55 Cb -0.48 -2.02 -0.12 0.00 -0.45 0.00 0.00 34.95 31.88 1i8i s ARG 55 CO 0.42 -0.92 1.39 -2.30 -0.68 0.00 0.00 175.30 173.21 1i8i n PRO 56 N -2.81 2.38 0.00 3.54 -0.02 -1.26 -2.31 135.00 134.51 1i8i n PRO 56 Ca 0.07 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 1i8i n PRO 56 Cb 0.54 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 1i8i n PRO 56 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1i8i n GLY 57 N 0.73 2.84 3.75 -1.23 0.00 -1.26 -4.99 105.19 105.02 1i8i n GLY 57 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1i8i n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i8i s VAL 58 N -1.91 3.71 0.48 1.61 1.01 -0.98 -4.99 120.40 119.33 1i8i s VAL 58 Ca 0.00 1.56 -0.23 0.00 0.00 0.00 0.00 61.98 63.31 1i8i s VAL 58 Cb 0.00 -3.99 -0.07 0.00 0.00 0.00 0.00 36.38 32.32 1i8i s VAL 58 CO 0.00 0.31 1.28 -2.16 0.00 0.00 0.00 175.10 174.53 1i8i s PRO 59 N -0.77 3.56 0.44 2.72 0.04 -1.26 -4.89 135.00 134.83 1i8i s PRO 59 Ca 0.48 2.05 0.17 0.00 0.04 0.00 0.00 61.00 63.74 1i8i s PRO 59 Cb -0.30 -2.43 0.94 0.00 0.04 0.00 0.00 34.50 32.75 1i8i s PRO 59 CO 0.37 -0.80 1.46 0.77 0.04 0.00 0.00 177.00 178.84 1i8i h SER 60 N 1.95 0.00 0.70 6.66 0.02 -1.98 -2.19 113.55 118.72 1i8i h SER 60 Ca -0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 1i8i h SER 60 Cb 1.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 1i8i h SER 60 CO 0.60 0.00 0.00 -2.11 -1.14 0.00 0.00 176.83 174.18 1i8i n ARG 61 N -2.32 0.05 -3.82 3.45 1.85 -1.26 -4.69 116.66 109.92 1i8i n ARG 61 Ca -0.01 0.11 -0.37 0.00 -1.00 0.00 0.00 57.85 56.59 1i8i n ARG 61 Cb 0.38 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 30.23 1i8i n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1i8i s PHE 62 N -2.93 3.57 0.20 2.89 0.08 -0.83 -0.34 117.98 120.62 1i8i s PHE 62 Ca 0.12 0.53 -0.11 0.00 0.12 0.00 0.00 56.93 57.59 1i8i s PHE 62 Cb 0.14 -2.01 -0.00 0.00 -0.57 0.00 0.00 43.02 40.58 1i8i s PHE 62 CO 0.39 0.64 0.39 -1.54 -0.10 0.00 0.00 175.22 175.00 1i8i s SER 63 N -0.74 -0.05 -0.03 1.36 1.04 -0.65 -4.95 113.70 109.68 1i8i s SER 63 Ca 0.14 -0.87 -0.19 0.00 0.48 0.00 0.00 55.95 55.52 1i8i s SER 63 Cb -0.12 0.51 0.04 0.00 0.10 0.00 0.00 66.02 66.55 1i8i s SER 63 CO 0.04 -1.01 0.41 -0.94 0.98 0.00 0.00 173.24 172.71 1i8i s SER 64 N -2.98 -0.32 0.22 7.02 1.04 -1.26 -1.29 113.70 116.12 1i8i s SER 64 Ca 0.19 0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.91 1i8i s SER 64 Cb 0.01 0.40 -0.05 0.00 0.10 0.00 0.00 66.02 66.48 1i8i s SER 64 CO 0.04 -0.47 0.09 -0.94 0.98 0.00 0.00 173.24 172.93 1i8i s SER 65 N -1.22 0.80 0.00 7.02 1.04 -0.45 -4.92 113.70 115.96 1i8i s SER 65 Ca -0.12 -1.34 0.00 0.00 0.48 0.00 0.00 55.95 54.96 1i8i s SER 65 Cb -0.04 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.32 1i8i s SER 65 CO 0.06 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.14 1i8i n GLY 66 N -0.34 3.17 3.83 7.32 0.00 -1.26 -1.11 105.19 116.80 1i8i n GLY 66 Ca -0.01 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 1i8i n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1i8i s THR 67 N -0.90 4.47 0.47 2.61 -4.23 0.54 -4.89 115.64 113.71 1i8i s THR 67 Ca 0.00 1.34 0.23 0.00 -1.18 0.00 0.00 61.69 62.07 1i8i s THR 67 Cb 0.00 -3.67 0.33 0.00 1.34 0.00 0.00 72.50 70.50 1i8i s THR 67 CO 0.00 -0.53 1.04 0.61 -0.54 0.00 0.00 174.62 175.20 1i8i n GLY 68 N -1.17 -0.61 0.03 3.99 0.00 -1.26 -0.24 105.19 105.93 1i8i n GLY 68 Ca 0.07 0.31 0.01 0.00 0.00 0.00 0.00 46.02 46.40 1i8i n GLY 68 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1i8i n THR 69 N -2.88 0.00 -3.57 2.61 -1.04 -1.26 -1.36 114.28 106.77 1i8i n THR 69 Ca 0.20 -0.49 -0.19 0.00 -2.04 0.00 0.00 64.05 61.54 1i8i n THR 69 Cb 1.24 1.02 -0.14 0.00 -1.82 0.00 0.00 70.33 70.63 1i8i n THR 69 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1i8i s ASP 70 N -0.55 1.25 0.16 8.00 3.68 0.67 -0.65 116.67 129.23 1i8i s ASP 70 Ca 0.01 -0.05 0.07 0.00 2.13 0.00 0.00 52.55 54.71 1i8i s ASP 70 Cb 0.01 0.29 -0.04 0.00 -1.45 0.00 0.00 42.92 41.73 1i8i s ASP 70 CO 0.03 -0.30 -0.14 -0.36 0.13 0.00 0.00 175.17 174.53 1i8i s PHE 71 N 2.30 1.54 -0.01 -5.34 0.40 -0.70 -0.34 117.98 115.83 1i8i s PHE 71 Ca 0.05 -0.59 -0.01 0.00 -0.60 0.00 0.00 56.93 55.78 1i8i s PHE 71 Cb -0.14 -0.76 0.00 0.00 0.51 0.00 0.00 43.02 42.63 1i8i s PHE 71 CO -0.10 0.23 0.03 0.08 0.70 0.00 0.00 175.22 176.17 1i8i s VAL 72 N -2.63 -0.00 -0.07 -0.44 1.01 -0.27 -1.73 120.40 116.27 1i8i s VAL 72 Ca 0.16 0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.19 1i8i s VAL 72 Cb -0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 36.38 36.29 1i8i s VAL 72 CO 0.04 0.01 -0.18 0.12 0.00 0.00 0.00 175.10 175.09 1i8i s PHE 73 N 0.08 2.62 0.04 5.22 2.19 0.43 -1.34 117.98 127.22 1i8i s PHE 73 Ca -0.01 -0.52 0.04 0.00 0.33 0.00 0.00 56.93 56.78 1i8i s PHE 73 Cb -0.01 -1.67 -0.02 0.00 -1.31 0.00 0.00 43.02 40.01 1i8i s PHE 73 CO -0.00 -0.08 -0.12 0.99 1.83 0.00 0.00 175.22 177.83 1i8i s THR 74 N -0.21 0.95 -0.15 0.12 2.01 -0.41 -1.71 115.64 116.23 1i8i s THR 74 Ca -0.01 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 61.06 1i8i s THR 74 Cb -0.13 -0.88 0.01 0.00 0.01 0.00 0.00 72.50 71.51 1i8i s THR 74 CO 0.03 -0.06 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.09 1i8i s ILE 75 N -0.88 2.32 0.04 1.82 1.01 -0.99 -1.63 121.20 122.88 1i8i s ILE 75 Ca -0.00 -0.88 -0.17 0.00 0.00 0.00 0.00 60.65 59.59 1i8i s ILE 75 Cb -0.08 -1.96 -0.25 0.00 0.01 0.00 0.00 42.46 40.19 1i8i s ILE 75 CO 0.01 0.53 1.12 1.05 0.00 0.00 0.00 174.94 177.65 1i8i h GLU 76 N 7.43 0.56 -3.41 2.79 4.11 -0.99 -2.55 114.58 122.52 1i8i h GLU 76 Ca -0.35 -0.64 -0.50 0.00 0.07 0.00 0.00 59.36 57.94 1i8i h GLU 76 Cb 1.18 0.19 -0.40 0.00 0.50 0.00 0.00 28.75 30.22 1i8i h GLU 76 CO 0.57 1.25 -0.76 -0.80 0.07 0.00 0.00 179.01 179.35 1i8i s ASN 77 N -7.10 2.72 -0.10 3.06 0.02 -1.26 -3.95 114.94 108.34 1i8i s ASN 77 Ca -0.11 -0.75 -0.30 0.00 -1.02 0.00 0.00 52.86 50.68 1i8i s ASN 77 Cb 0.05 -0.49 -0.03 0.00 0.02 0.00 0.00 41.25 40.79 1i8i s ASN 77 CO 0.88 -0.32 1.42 -0.89 0.02 0.00 0.00 177.10 178.22 1i8i s THR 78 N 1.94 3.95 0.34 1.60 2.01 0.01 -4.68 115.64 120.81 1i8i s THR 78 Ca -0.00 1.18 -0.01 0.00 0.31 0.00 0.00 61.69 63.17 1i8i s THR 78 Cb -0.17 -3.76 -0.04 0.00 0.01 0.00 0.00 72.50 68.54 1i8i s THR 78 CO -0.08 -0.09 0.56 -0.76 -0.69 0.00 0.00 174.62 173.56 1i8i s LEU 79 N 3.51 4.00 0.20 4.42 2.01 -1.26 0.53 118.68 132.09 1i8i s LEU 79 Ca 0.63 0.54 -0.17 0.00 0.01 0.00 0.00 54.13 55.14 1i8i s LEU 79 Cb -0.27 -3.39 0.19 0.00 0.01 0.00 0.00 46.19 42.73 1i8i s LEU 79 CO 0.22 -0.28 1.60 0.77 1.01 0.00 0.00 176.35 179.67 1i8i h SER 80 N 0.98 -0.88 0.00 2.29 4.64 -1.98 -1.70 113.55 116.91 1i8i h SER 80 Ca -0.49 0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1i8i h SER 80 Cb 1.21 0.49 0.00 0.00 -0.31 0.00 0.00 62.40 63.79 1i8i h SER 80 CO 0.63 -0.26 0.26 -1.84 -0.87 0.00 0.00 176.83 174.74 1i8i n GLU 81 N -5.45 0.05 0.00 4.77 0.28 -1.26 -2.61 120.64 116.42 1i8i n GLU 81 Ca 0.06 0.45 0.14 0.00 -0.16 0.00 0.00 57.16 57.65 1i8i n GLU 81 Cb 0.35 -1.92 0.60 0.00 1.43 0.00 0.00 31.44 31.91 1i8i n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1i8i n ASP 82 N -1.71 1.07 -4.73 -1.84 8.00 -0.64 -4.87 116.55 111.83 1i8i n ASP 82 Ca -0.00 -1.26 -0.42 0.00 0.71 0.00 0.00 54.79 53.82 1i8i n ASP 82 Cb 0.27 0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.34 1i8i n ASP 82 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1i8i s VAL 83 N -2.09 3.42 -3.05 2.53 -7.23 -1.07 -4.87 120.40 108.03 1i8i s VAL 83 Ca 0.38 1.11 0.00 0.00 -1.81 0.00 0.00 61.98 61.66 1i8i s VAL 83 Cb 0.21 -3.71 0.00 0.00 0.56 0.00 0.00 36.38 33.44 1i8i s VAL 83 CO 0.37 0.14 0.00 0.61 -0.31 0.00 0.00 175.10 175.91 1i8i n GLY 84 N 2.74 -0.87 3.55 2.32 0.00 -1.22 -4.73 105.19 106.98 1i8i n GLY 84 Ca 0.08 -0.98 -0.31 0.00 0.00 0.00 0.00 46.02 44.81 1i8i n GLY 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i8i s ASP 85 N -4.00 4.34 -0.02 1.61 1.01 -0.11 -0.65 116.67 118.84 1i8i s ASP 85 Ca 0.00 -0.30 0.08 0.00 0.71 0.00 0.00 52.55 53.03 1i8i s ASP 85 Cb 0.00 -0.87 -0.02 0.00 1.01 0.00 0.00 42.92 43.04 1i8i s ASP 85 CO 0.00 0.24 -0.25 -0.31 0.21 0.00 0.00 175.17 175.06 1i8i s TYR 86 N -1.06 2.23 0.05 4.23 2.02 -0.42 -0.43 117.35 123.97 1i8i s TYR 86 Ca 0.18 -0.43 0.04 0.00 -0.37 0.00 0.00 57.07 56.48 1i8i s TYR 86 Cb -0.11 -1.44 -0.02 0.00 -0.40 0.00 0.00 41.96 39.99 1i8i s TYR 86 CO 0.09 -0.05 -0.11 0.71 -1.57 0.00 0.00 175.55 174.62 1i8i s TYR 87 N -0.56 0.97 0.15 2.71 1.51 -0.58 -1.24 117.35 120.31 1i8i s TYR 87 Ca 0.09 -0.42 0.10 0.00 -1.01 0.00 0.00 57.07 55.83 1i8i s TYR 87 Cb -0.10 -0.57 -0.04 0.00 -0.11 0.00 0.00 41.96 41.14 1i8i s TYR 87 CO -0.01 -0.00 -0.19 0.00 -1.11 0.00 0.00 175.55 174.24 1i8i s LEU 89 N -2.42 1.71 -0.17 0.00 2.96 0.35 -1.09 118.68 120.02 1i8i s LEU 89 Ca 0.20 -0.10 -0.08 0.00 -0.22 0.00 0.00 54.13 53.92 1i8i s LEU 89 Cb -0.09 -0.33 -0.04 0.00 0.50 0.00 0.00 46.19 46.23 1i8i s LEU 89 CO 0.11 0.01 0.11 0.00 -1.32 0.00 0.00 176.35 175.26 1i8i s GLN 90 N 0.31 3.90 -0.18 1.98 1.03 -0.96 0.35 119.66 126.09 1i8i s GLN 90 Ca -0.03 -0.23 0.14 0.00 0.04 0.00 0.00 55.36 55.27 1i8i s GLN 90 Cb -0.07 -3.29 0.38 0.00 0.03 0.00 0.00 33.01 30.06 1i8i s GLN 90 CO -0.00 0.44 1.21 -1.13 -2.54 0.00 0.00 175.29 173.26 1i8i n SER 91 N 3.06 1.98 -0.02 12.60 3.41 -0.62 -3.80 113.62 130.24 1i8i n SER 91 Ca -0.17 -3.61 -0.16 0.00 -0.26 0.00 0.00 58.87 54.66 1i8i n SER 91 Cb 0.53 -0.50 -0.10 0.00 -0.26 0.00 0.00 64.21 63.88 1i8i n SER 91 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1i8i h PHE 92 N 0.66 0.58 -3.96 7.33 3.57 -1.83 -3.47 116.94 119.82 1i8i h PHE 92 Ca 0.01 -0.28 -0.31 0.00 3.53 0.00 0.00 57.97 60.92 1i8i h PHE 92 Cb 1.02 -0.08 -0.22 0.00 2.79 0.00 0.00 35.95 39.46 1i8i h PHE 92 CO 0.50 1.07 -0.75 -0.80 -2.23 0.00 0.00 178.31 176.11 1i8i s ASN 93 N -6.62 0.98 0.10 0.41 -0.87 -1.26 -5.13 114.94 102.56 1i8i s ASN 93 Ca -0.13 -0.51 -0.20 0.00 -1.57 0.00 0.00 52.86 50.44 1i8i s ASN 93 Cb 0.04 0.01 -0.07 0.00 -0.02 0.00 0.00 41.25 41.21 1i8i s ASN 93 CO 0.81 -0.15 0.62 0.54 -2.57 0.00 0.00 177.10 176.35 1i8i s VAL 94 N -1.21 4.66 0.28 1.60 0.11 -1.26 -3.32 120.40 121.26 1i8i s VAL 94 Ca -0.07 1.30 -0.30 0.00 -2.93 0.00 0.00 61.98 59.99 1i8i s VAL 94 Cb -0.09 -3.94 -0.10 0.00 -1.53 0.00 0.00 36.38 30.72 1i8i s VAL 94 CO 0.01 0.52 1.46 -2.16 -3.33 0.00 0.00 175.10 171.59 1i8i s PRO 95 N -1.19 4.23 0.02 1.54 0.04 -1.26 -4.60 135.00 133.79 1i8i s PRO 95 Ca 0.31 2.38 -0.30 0.00 0.04 0.00 0.00 61.00 63.43 1i8i s PRO 95 Cb -0.20 -3.07 -0.06 0.00 0.04 0.00 0.00 34.50 31.21 1i8i s PRO 95 CO 0.21 -0.44 1.39 -0.51 0.04 0.00 0.00 177.00 177.69 1i8i s LEU 96 N -0.81 4.33 0.11 -3.56 1.02 -1.21 -4.74 118.68 113.82 1i8i s LEU 96 Ca 0.58 2.15 0.07 0.00 0.02 0.00 0.00 54.13 56.95 1i8i s LEU 96 Cb -0.43 -3.57 -0.04 0.00 0.02 0.00 0.00 46.19 42.17 1i8i s LEU 96 CO 0.48 -0.70 -0.11 0.42 0.02 0.00 0.00 176.35 176.46 1i8i s THR 97 N 2.14 3.32 0.17 5.49 -4.23 -1.25 -5.01 115.64 116.26 1i8i s THR 97 Ca 0.64 -1.29 0.11 0.00 -1.18 0.00 0.00 61.69 59.96 1i8i s THR 97 Cb -0.32 -2.55 -0.04 0.00 1.34 0.00 0.00 72.50 70.93 1i8i s THR 97 CO 0.27 0.11 -0.23 -0.36 -0.54 0.00 0.00 174.62 173.87 1i8i s PHE 98 N -1.21 2.36 0.58 3.99 0.40 -1.26 -2.26 117.98 120.57 1i8i s PHE 98 Ca 0.21 -0.34 -0.11 0.00 -0.60 0.00 0.00 56.93 56.08 1i8i s PHE 98 Cb -0.11 -1.20 -0.05 0.00 0.51 0.00 0.00 43.02 42.17 1i8i s PHE 98 CO 0.13 0.45 0.99 0.20 0.70 0.00 0.00 175.22 177.69 1i8i s GLY 99 N -2.48 1.73 -0.03 4.36 0.00 -0.25 -4.74 107.32 105.92 1i8i s GLY 99 Ca 0.19 -0.08 0.03 0.00 0.00 0.00 0.00 44.72 44.86 1i8i s GLY 99 CO 0.09 0.18 0.83 0.00 0.00 0.00 0.00 173.10 174.21 1i8i n GLY 101 N 0.30 0.48 2.79 0.00 0.00 -1.26 -5.03 105.19 102.48 1i8i n GLY 101 Ca 0.04 -1.79 -0.17 0.00 0.00 0.00 0.00 46.02 44.11 1i8i n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i8i s THR 102 N -2.58 0.09 -0.17 2.61 2.01 -0.37 -4.81 115.64 112.43 1i8i s THR 102 Ca 0.00 0.15 -0.07 0.00 0.31 0.00 0.00 61.69 62.08 1i8i s THR 102 Cb 0.00 -0.22 -0.04 0.00 0.01 0.00 0.00 72.50 72.25 1i8i s THR 102 CO 0.00 0.14 0.07 -1.59 -0.69 0.00 0.00 174.62 172.55 1i8i s LYS 103 N 1.16 3.89 -0.21 4.92 -2.85 -1.21 -1.30 119.74 124.13 1i8i s LYS 103 Ca -0.08 -0.32 -0.13 0.00 -1.00 0.00 0.00 55.97 54.45 1i8i s LYS 103 Cb -0.13 -3.20 -0.05 0.00 -2.06 0.00 0.00 37.83 32.39 1i8i s LYS 103 CO -0.02 0.35 0.25 -1.17 0.10 0.00 0.00 175.35 174.85 1i8i s LEU 104 N 0.17 4.16 -0.47 2.77 1.98 0.18 -0.93 118.68 126.53 1i8i s LEU 104 Ca 0.05 0.30 -0.32 0.00 -2.89 0.00 0.00 54.13 51.28 1i8i s LEU 104 Cb -0.12 -2.26 0.05 0.00 0.66 0.00 0.00 46.19 44.51 1i8i s LEU 104 CO 0.00 0.04 0.65 1.21 -1.89 0.00 0.00 176.35 176.36 1i8i n GLU 105 N 4.16 -2.01 -0.96 1.98 2.13 0.17 -3.43 120.64 122.67 1i8i n GLU 105 Ca -0.13 1.55 0.00 0.00 0.66 0.00 0.00 57.16 59.25 1i8i n GLU 105 Cb 0.52 -2.94 0.00 0.00 0.27 0.00 0.00 31.44 29.28 1i8i n GLU 105 CO 0.00 0.00 0.00 1.51 -0.41 0.00 0.00 177.13 178.23