#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i8k s ILE 2 N 0.00 5.23 -0.07 0.53 1.01 -1.26 -4.99 121.20 121.64 1i8k s ILE 2 Ca 0.00 0.80 -0.04 0.00 0.00 0.00 0.00 60.65 61.41 1i8k s ILE 2 Cb 0.00 -3.75 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 1i8k s ILE 2 CO 0.00 0.33 0.11 -0.70 0.00 0.00 0.00 174.94 174.68 1i8k s GLU 3 N 0.68 3.28 -0.09 2.79 2.12 -1.26 -4.75 118.70 121.47 1i8k s GLU 3 Ca 0.22 -0.28 0.03 0.00 0.36 0.00 0.00 54.97 55.30 1i8k s GLU 3 Cb -0.14 -3.03 -0.01 0.00 0.26 0.00 0.00 34.13 31.20 1i8k s GLU 3 CO 0.08 0.72 -0.19 -0.51 -0.54 0.00 0.00 175.26 174.82 1i8k s LEU 4 N -1.30 2.40 -0.11 2.70 1.02 -1.26 -1.20 118.68 120.93 1i8k s LEU 4 Ca 0.18 -0.41 0.00 0.00 0.02 0.00 0.00 54.13 53.92 1i8k s LEU 4 Cb -0.12 -1.49 0.02 0.00 0.02 0.00 0.00 46.19 44.62 1i8k s LEU 4 CO 0.08 0.21 -0.11 -0.89 0.02 0.00 0.00 176.35 175.66 1i8k s THR 5 N 0.07 1.24 0.31 5.49 2.01 -0.53 -4.33 115.64 119.90 1i8k s THR 5 Ca -0.08 -0.45 -0.02 0.00 0.31 0.00 0.00 61.69 61.45 1i8k s THR 5 Cb -0.15 -1.19 -0.04 0.00 0.01 0.00 0.00 72.50 71.12 1i8k s THR 5 CO 0.05 0.40 0.53 -1.10 -0.69 0.00 0.00 174.62 173.82 1i8k s GLN 6 N 1.39 3.54 0.03 4.92 -0.21 -1.26 -1.41 119.66 126.65 1i8k s GLN 6 Ca 0.00 -0.21 -0.24 0.00 0.02 0.00 0.00 55.36 54.93 1i8k s GLN 6 Cb -0.13 -2.67 0.06 0.00 1.00 0.00 0.00 33.01 31.26 1i8k s GLN 6 CO -0.06 0.20 0.55 -1.54 -2.12 0.00 0.00 175.29 172.32 1i8k s SER 7 N -3.63 -0.49 0.92 5.90 1.04 -0.50 -4.61 113.70 112.34 1i8k s SER 7 Ca 0.41 0.29 -0.11 0.00 0.48 0.00 0.00 55.95 57.03 1i8k s SER 7 Cb -0.10 0.50 0.15 0.00 0.10 0.00 0.00 66.02 66.66 1i8k s SER 7 CO 0.33 -0.69 1.12 -2.16 0.98 0.00 0.00 173.24 172.82 1i8k s PRO 8 N -2.16 1.02 0.36 4.02 0.04 -1.26 -0.61 135.00 136.41 1i8k s PRO 8 Ca -0.07 1.34 0.05 0.00 0.04 0.00 0.00 61.00 62.37 1i8k s PRO 8 Cb -0.01 -1.74 0.68 0.00 0.04 0.00 0.00 34.50 33.47 1i8k s PRO 8 CO 0.01 -2.56 1.92 0.00 0.04 0.00 0.00 177.00 176.41 1i8k h ALA 9 N -1.81 1.46 -2.88 8.56 0.00 -1.86 -3.42 119.26 119.31 1i8k h ALA 9 Ca -0.46 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.26 1i8k h ALA 9 Cb 1.27 -0.15 -0.12 0.00 0.00 0.00 0.00 17.79 18.79 1i8k h ALA 9 CO 0.45 0.39 0.07 -1.54 0.00 0.00 0.00 179.25 178.62 1i8k s SER 10 N -6.73 -0.40 0.15 0.00 1.04 -1.26 -1.50 113.70 104.99 1i8k s SER 10 Ca -0.08 -0.16 -0.20 0.00 0.48 0.00 0.00 55.95 56.00 1i8k s SER 10 Cb 0.16 0.54 0.05 0.00 0.10 0.00 0.00 66.02 66.87 1i8k s SER 10 CO 0.75 -0.91 0.51 -1.48 0.98 0.00 0.00 173.24 173.09 1i8k s LEU 11 N -2.77 -0.11 -0.10 2.42 2.34 -0.32 -4.90 118.68 115.22 1i8k s LEU 11 Ca 0.02 -0.16 0.01 0.00 0.06 0.00 0.00 54.13 54.06 1i8k s LEU 11 Cb 0.00 2.25 0.02 0.00 -0.56 0.00 0.00 46.19 47.90 1i8k s LEU 11 CO -0.12 -0.92 -0.11 -0.55 -1.06 0.00 0.00 176.35 173.58 1i8k s SER 12 N -2.78 2.16 0.31 1.48 0.15 -1.26 -1.63 113.70 112.14 1i8k s SER 12 Ca 0.02 -0.34 0.07 0.00 0.70 0.00 0.00 55.95 56.40 1i8k s SER 12 Cb 0.00 -0.92 -0.06 0.00 -1.71 0.00 0.00 66.02 63.33 1i8k s SER 12 CO -0.12 -0.05 -0.05 0.68 1.20 0.00 0.00 173.24 174.90 1i8k s VAL 13 N 1.26 1.80 0.21 4.45 -7.23 -0.06 -4.99 120.40 115.85 1i8k s VAL 13 Ca -0.03 -2.12 -0.03 0.00 -1.81 0.00 0.00 61.98 57.99 1i8k s VAL 13 Cb -0.14 -2.59 -0.05 0.00 0.56 0.00 0.00 36.38 34.16 1i8k s VAL 13 CO -0.04 -0.22 0.44 0.00 -0.31 0.00 0.00 175.10 174.98 1i8k s ALA 14 N -2.90 3.75 0.20 1.32 0.00 -1.26 -4.00 121.76 118.86 1i8k s ALA 14 Ca 0.32 -0.65 -0.33 0.00 0.00 0.00 0.00 51.96 51.29 1i8k s ALA 14 Cb 0.04 -2.14 -0.13 0.00 0.00 0.00 0.00 23.12 20.89 1i8k s ALA 14 CO 0.14 0.44 1.55 0.25 0.00 0.00 0.00 175.76 178.14 1i8k n THR 15 N -0.53 0.32 -0.19 0.00 -2.24 -1.26 -1.50 114.28 108.88 1i8k n THR 15 Ca -0.03 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1i8k n THR 15 Cb 0.53 -1.59 0.00 0.00 -2.10 0.00 0.00 70.33 67.17 1i8k n THR 15 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1i8k n GLY 16 N 3.04 0.75 3.89 3.38 0.00 0.15 -4.94 105.19 111.46 1i8k n GLY 16 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1i8k n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i8k s GLU 17 N -0.69 3.71 0.22 1.61 0.41 -0.56 -3.89 118.70 119.49 1i8k s GLU 17 Ca 0.00 0.34 -0.30 0.00 -0.41 0.00 0.00 54.97 54.60 1i8k s GLU 17 Cb 0.00 -2.43 -0.08 0.00 -1.78 0.00 0.00 34.13 29.84 1i8k s GLU 17 CO 0.00 -0.03 0.97 0.21 -0.49 0.00 0.00 175.26 175.91 1i8k s LYS 18 N -3.99 4.80 0.05 1.61 2.20 -1.26 -1.68 119.74 121.46 1i8k s LYS 18 Ca 0.49 1.53 0.07 0.00 -0.36 0.00 0.00 55.97 57.70 1i8k s LYS 18 Cb -0.10 -3.29 -0.03 0.00 -1.51 0.00 0.00 37.83 32.90 1i8k s LYS 18 CO 0.34 0.41 -0.16 0.14 -0.36 0.00 0.00 175.35 175.72 1i8k s VAL 19 N -0.92 2.94 -0.09 4.02 -7.23 0.26 -4.95 120.40 114.43 1i8k s VAL 19 Ca 0.43 -1.16 0.02 0.00 -1.81 0.00 0.00 61.98 59.46 1i8k s VAL 19 Cb -0.26 -2.26 0.01 0.00 0.56 0.00 0.00 36.38 34.43 1i8k s VAL 19 CO 0.33 0.31 -0.14 -0.89 -0.31 0.00 0.00 175.10 174.40 1i8k s THR 20 N -0.97 1.34 0.01 5.32 2.01 -1.26 -1.63 115.64 120.47 1i8k s THR 20 Ca 0.16 -0.57 0.04 0.00 0.31 0.00 0.00 61.69 61.62 1i8k s THR 20 Cb -0.11 -1.23 -0.01 0.00 0.01 0.00 0.00 72.50 71.16 1i8k s THR 20 CO 0.06 0.41 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.64 1i8k s ILE 21 N 0.83 1.01 0.17 1.82 1.01 0.06 -4.65 121.20 121.44 1i8k s ILE 21 Ca -0.11 -0.74 0.09 0.00 0.00 0.00 0.00 60.65 59.89 1i8k s ILE 21 Cb -0.15 -0.88 -0.04 0.00 0.01 0.00 0.00 42.46 41.39 1i8k s ILE 21 CO 0.01 0.14 -0.19 -0.13 0.00 0.00 0.00 174.94 174.77 1i8k s ARG 22 N -0.69 1.33 -0.13 2.79 0.52 0.22 -0.89 118.95 122.10 1i8k s ARG 22 Ca 0.03 -1.44 -0.04 0.00 -0.52 0.00 0.00 55.73 53.75 1i8k s ARG 22 Cb -0.06 -1.42 0.06 0.00 0.52 0.00 0.00 34.95 34.06 1i8k s ARG 22 CO 0.00 0.29 0.23 0.00 0.02 0.00 0.00 175.30 175.84 1i8k s MET 24 N 2.37 2.50 0.25 0.00 -1.94 -0.50 -1.53 119.30 120.46 1i8k s MET 24 Ca 0.03 -0.80 0.09 0.00 -1.71 0.00 0.00 55.69 53.30 1i8k s MET 24 Cb -0.12 -2.50 -0.04 0.00 2.01 0.00 0.00 34.83 34.18 1i8k s MET 24 CO -0.08 0.57 0.05 0.95 -0.01 0.00 0.00 175.02 176.50 1i8k s THR 25 N -1.14 3.75 -0.42 2.05 -4.23 -0.29 -1.45 115.64 113.91 1i8k s THR 25 Ca 0.21 -1.73 0.25 0.00 -1.18 0.00 0.00 61.69 59.24 1i8k s THR 25 Cb -0.11 -3.00 0.33 0.00 1.34 0.00 0.00 72.50 71.06 1i8k s THR 25 CO 0.12 -0.34 1.70 0.77 -0.54 0.00 0.00 174.62 176.32 1i8k h SER 26 N 1.86 0.00 -5.09 3.99 4.64 -1.49 -3.45 113.55 114.00 1i8k h SER 26 Ca -0.46 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.84 1i8k h SER 26 Cb 1.24 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.23 1i8k h SER 26 CO 0.60 0.00 0.01 0.28 -0.87 0.00 0.00 176.83 176.86 1i8k s THR 27 N -3.26 0.03 0.38 2.95 -1.32 -1.26 -4.97 115.64 108.18 1i8k s THR 27 Ca 0.07 -0.80 -0.26 0.00 -1.21 0.00 0.00 61.69 59.49 1i8k s THR 27 Cb 0.07 -1.58 -0.11 0.00 -1.51 0.00 0.00 72.50 69.36 1i8k s THR 27 CO 0.63 -0.13 1.16 -0.67 -2.21 0.00 0.00 174.62 173.41 1i8k n ASP 28 N -0.33 2.06 -0.32 8.08 -0.08 -1.26 -4.73 116.55 119.96 1i8k n ASP 28 Ca -0.10 1.13 0.06 0.00 -1.51 0.00 0.00 54.79 54.37 1i8k n ASP 28 Cb 0.62 -1.42 0.10 0.00 2.34 0.00 0.00 41.12 42.76 1i8k n ASP 28 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 1i8k n ILE 29 N -0.05 1.26 -3.78 5.18 -5.35 -1.23 -5.00 119.36 110.39 1i8k n ILE 29 Ca 0.07 -1.61 -0.29 0.00 -0.27 0.00 0.00 62.75 60.65 1i8k n ILE 29 Cb 0.37 0.04 0.01 0.00 -1.74 0.00 0.00 39.64 38.32 1i8k n ILE 29 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1i8k n ASP 30 N -0.88 -4.28 -2.14 7.28 2.03 -1.26 -1.18 116.55 116.11 1i8k n ASP 30 Ca 0.11 -0.69 -0.18 0.00 0.52 0.00 0.00 54.79 54.54 1i8k n ASP 30 Cb 0.69 -3.46 -0.03 0.00 -0.72 0.00 0.00 41.12 37.59 1i8k n ASP 30 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1i8k n ASP 31 N -2.62 -5.17 -3.44 1.67 8.00 -1.26 -4.88 116.55 108.84 1i8k n ASP 31 Ca 0.03 0.17 -0.39 0.00 0.71 0.00 0.00 54.79 55.31 1i8k n ASP 31 Cb 0.53 -4.41 -0.01 0.00 -0.02 0.00 0.00 41.12 37.21 1i8k n ASP 31 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1i8k n ASP 32 N -1.69 7.95 -4.80 -2.24 10.43 -0.32 -1.46 116.55 124.42 1i8k n ASP 32 Ca -0.21 -3.18 -0.36 0.00 2.57 0.00 0.00 54.79 53.62 1i8k n ASP 32 Cb 0.65 -1.34 -0.07 0.00 1.84 0.00 0.00 41.12 42.19 1i8k n ASP 32 CO 0.00 0.00 0.00 -0.32 -1.07 0.00 0.00 177.20 175.81 1i8k s MET 33 N -1.36 3.30 0.05 -1.24 1.75 -1.26 -1.82 119.30 118.72 1i8k s MET 33 Ca 0.54 -0.24 0.04 0.00 -1.25 0.00 0.00 55.69 54.78 1i8k s MET 33 Cb 0.20 -3.05 -0.02 0.00 2.84 0.00 0.00 34.83 34.79 1i8k s MET 33 CO -0.10 0.73 -0.12 -0.80 -0.65 0.00 0.00 175.02 174.08 1i8k s ASN 34 N -0.91 1.38 -0.01 1.11 0.01 -0.02 -2.95 114.94 113.55 1i8k s ASN 34 Ca 0.14 -0.51 0.04 0.00 -0.71 0.00 0.00 52.86 51.83 1i8k s ASN 34 Cb -0.12 -0.05 -0.01 0.00 0.41 0.00 0.00 41.25 41.48 1i8k s ASN 34 CO 0.03 -0.06 -0.14 0.26 -1.51 0.00 0.00 177.10 175.68 1i8k s TRP 35 N -1.07 1.27 0.12 2.20 0.52 -0.16 -0.85 118.94 120.97 1i8k s TRP 35 Ca -0.03 -0.25 0.06 0.00 0.02 0.00 0.00 56.10 55.90 1i8k s TRP 35 Cb -0.09 -0.81 -0.04 0.00 -1.15 0.00 0.00 33.47 31.39 1i8k s TRP 35 CO 0.01 -0.01 -0.14 0.71 0.02 0.00 0.00 176.95 177.54 1i8k s TYR 36 N -0.39 1.40 -0.08 -1.98 1.51 0.18 -0.55 117.35 117.45 1i8k s TYR 36 Ca 0.05 -0.56 0.04 0.00 -1.01 0.00 0.00 57.07 55.59 1i8k s TYR 36 Cb -0.06 -0.73 0.00 0.00 -0.11 0.00 0.00 41.96 41.06 1i8k s TYR 36 CO -0.00 0.15 -0.20 -1.14 -1.11 0.00 0.00 175.55 173.24 1i8k s GLN 37 N -2.70 2.58 -0.07 -0.62 0.74 -0.31 -0.71 119.66 118.57 1i8k s GLN 37 Ca 0.09 -0.74 0.03 0.00 0.05 0.00 0.00 55.36 54.80 1i8k s GLN 37 Cb -0.05 -2.00 0.01 0.00 1.10 0.00 0.00 33.01 32.07 1i8k s GLN 37 CO 0.03 0.15 -0.15 -1.14 -0.55 0.00 0.00 175.29 173.63 1i8k s GLN 38 N 0.39 1.94 0.22 1.67 0.74 0.81 -0.65 119.66 124.79 1i8k s GLN 38 Ca -0.16 -0.53 0.06 0.00 0.05 0.00 0.00 55.36 54.77 1i8k s GLN 38 Cb -0.17 -1.58 -0.03 0.00 1.10 0.00 0.00 33.01 32.33 1i8k s GLN 38 CO 0.07 0.10 0.24 0.15 -0.55 0.00 0.00 175.29 175.30 1i8k s LYS 39 N 0.48 3.12 0.26 1.67 1.02 -1.26 -0.91 119.74 124.12 1i8k s LYS 39 Ca -0.13 -0.89 -0.31 0.00 0.02 0.00 0.00 55.97 54.66 1i8k s LYS 39 Cb -0.15 -2.71 -0.12 0.00 -0.52 0.00 0.00 37.83 34.32 1i8k s LYS 39 CO 0.04 0.44 1.57 -2.30 -0.92 0.00 0.00 175.35 174.19 1i8k n PRO 40 N -1.02 2.53 -1.00 -1.68 -0.02 -1.26 -1.94 135.00 130.62 1i8k n PRO 40 Ca -0.08 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 1i8k n PRO 40 Cb 0.57 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 1i8k n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1i8k n GLY 41 N 2.52 0.35 3.39 -1.23 0.00 -1.26 -5.01 105.19 103.96 1i8k n GLY 41 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 1i8k n GLY 41 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i8k s GLU 42 N -0.60 1.45 0.87 1.61 2.02 -0.82 -5.15 118.70 118.09 1i8k s GLU 42 Ca 0.00 -1.63 -0.11 0.00 0.02 0.00 0.00 54.97 53.25 1i8k s GLU 42 Cb 0.00 -1.41 0.11 0.00 0.10 0.00 0.00 34.13 32.93 1i8k s GLU 42 CO 0.00 0.26 1.10 -1.25 0.02 0.00 0.00 175.26 175.38 1i8k s PRO 43 N -3.44 1.48 0.41 0.39 0.04 -1.26 -4.57 135.00 128.04 1i8k s PRO 43 Ca 0.24 1.04 -0.27 0.00 0.04 0.00 0.00 61.00 62.06 1i8k s PRO 43 Cb -0.03 -1.82 -0.10 0.00 0.04 0.00 0.00 34.50 32.59 1i8k s PRO 43 CO 0.10 -2.15 1.43 -2.30 0.04 0.00 0.00 177.00 174.12 1i8k n PRO 44 N -3.85 2.42 -4.15 0.56 -0.02 -1.26 -4.56 135.00 124.13 1i8k n PRO 44 Ca 0.08 0.85 -0.34 0.00 -2.02 0.00 0.00 63.50 62.07 1i8k n PRO 44 Cb 0.54 -2.60 -0.10 0.00 -0.02 0.00 0.00 33.50 31.31 1i8k n PRO 44 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1i8k s LYS 45 N -2.22 3.85 -0.23 -0.52 2.20 0.18 -4.90 119.74 118.10 1i8k s LYS 45 Ca 0.57 -0.40 -0.29 0.00 -0.36 0.00 0.00 55.97 55.48 1i8k s LYS 45 Cb -0.48 -3.10 -0.02 0.00 -1.51 0.00 0.00 37.83 32.72 1i8k s LYS 45 CO 0.61 0.28 1.56 0.12 -0.36 0.00 0.00 175.35 177.55 1i8k s PHE 46 N 0.32 2.21 -0.20 4.03 5.99 -1.26 -1.17 117.98 127.90 1i8k s PHE 46 Ca 0.01 0.60 -0.01 0.00 0.00 0.00 0.00 56.93 57.53 1i8k s PHE 46 Cb -0.13 -3.96 -0.12 0.00 0.00 0.00 0.00 43.02 38.81 1i8k s PHE 46 CO 0.01 -2.74 -0.20 1.28 -0.00 0.00 0.00 175.22 173.58 1i8k n LEU 47 N 8.24 2.70 -3.94 6.12 4.77 0.29 -4.78 117.00 130.40 1i8k n LEU 47 Ca 0.18 -0.04 -0.21 0.00 -0.03 0.00 0.00 56.01 55.91 1i8k n LEU 47 Cb 0.45 -0.69 -0.16 0.00 -2.33 0.00 0.00 43.42 40.69 1i8k n LEU 47 CO 0.64 0.77 -0.43 -0.63 -1.33 0.00 0.00 177.39 176.41 1i8k s ILE 48 N -2.40 0.69 0.52 -0.08 -1.09 -0.92 -0.26 121.20 117.67 1i8k s ILE 48 Ca -0.28 -0.24 0.06 0.00 -2.23 0.00 0.00 60.65 57.97 1i8k s ILE 48 Cb 0.08 -0.67 0.03 0.00 -1.58 0.00 0.00 42.46 40.32 1i8k s ILE 48 CO 0.45 0.25 0.43 -0.94 -1.23 0.00 0.00 174.94 173.90 1i8k s SER 49 N 0.70 4.73 0.12 3.58 1.04 -0.55 -0.99 113.70 122.33 1i8k s SER 49 Ca -0.11 -1.13 -0.34 0.00 0.48 0.00 0.00 55.95 54.86 1i8k s SER 49 Cb -0.13 0.23 -0.18 0.00 0.10 0.00 0.00 66.02 66.03 1i8k s SER 49 CO 0.01 -1.04 0.87 -0.62 0.98 0.00 0.00 173.24 173.44 1i8k n GLU 50 N -1.76 0.26 -1.28 4.02 1.02 -1.15 -2.43 120.64 119.32 1i8k n GLU 50 Ca 0.01 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 1i8k n GLU 50 Cb 0.64 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.66 1i8k n GLU 50 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1i8k n GLY 51 N 1.79 0.67 4.18 0.62 0.00 -0.53 -4.37 105.19 107.54 1i8k n GLY 51 Ca 0.18 -0.74 -0.31 0.00 0.00 0.00 0.00 46.02 45.14 1i8k n GLY 51 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1i8k n ASN 52 N 1.54 -0.14 -4.28 1.61 5.03 -1.02 -4.95 115.26 113.07 1i8k n ASN 52 Ca 0.00 -1.20 -0.32 0.00 0.87 0.00 0.00 54.58 53.93 1i8k n ASN 52 Cb 0.25 -2.04 -0.16 0.00 -1.02 0.00 0.00 39.78 36.81 1i8k n ASN 52 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 1i8k s THR 53 N -4.15 2.37 0.27 3.41 -1.32 -1.05 -4.73 115.64 110.43 1i8k s THR 53 Ca 0.07 -0.92 -0.30 0.00 -1.21 0.00 0.00 61.69 59.34 1i8k s THR 53 Cb -0.04 -1.93 -0.10 0.00 -1.51 0.00 0.00 72.50 68.93 1i8k s THR 53 CO 0.96 0.55 1.42 -0.22 -2.21 0.00 0.00 174.62 175.13 1i8k s LEU 54 N 0.23 4.39 0.52 9.08 2.96 -1.26 -1.48 118.68 133.12 1i8k s LEU 54 Ca -0.13 2.69 -0.21 0.00 -0.22 0.00 0.00 54.13 56.25 1i8k s LEU 54 Cb -0.17 -3.63 -0.06 0.00 0.50 0.00 0.00 46.19 42.84 1i8k s LEU 54 CO 0.07 -0.68 1.19 -0.13 -1.32 0.00 0.00 176.35 175.48 1i8k s ARG 55 N -0.68 3.40 0.38 1.98 1.81 0.65 -4.89 118.95 121.60 1i8k s ARG 55 Ca 0.57 1.82 -0.28 0.00 -1.72 0.00 0.00 55.73 56.12 1i8k s ARG 55 Cb -0.42 -2.19 -0.10 0.00 -0.45 0.00 0.00 34.95 31.80 1i8k s ARG 55 CO 0.46 -0.86 1.39 -1.25 -0.68 0.00 0.00 175.30 174.36 1i8k s PRO 56 N -3.00 4.10 0.00 3.54 0.04 -1.26 -1.87 135.00 136.55 1i8k s PRO 56 Ca 0.70 2.37 0.00 0.00 0.04 0.00 0.00 61.00 64.11 1i8k s PRO 56 Cb -0.30 -2.92 0.00 0.00 0.04 0.00 0.00 34.50 31.32 1i8k s PRO 56 CO 0.34 -0.46 0.00 0.41 0.04 0.00 0.00 177.00 177.34 1i8k n GLY 57 N 0.61 2.13 3.78 0.56 0.00 -1.26 -5.04 105.19 105.97 1i8k n GLY 57 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 1i8k n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i8k s VAL 58 N -2.34 4.66 0.28 1.61 1.01 -0.78 -4.99 120.40 119.85 1i8k s VAL 58 Ca 0.00 1.45 -0.29 0.00 0.00 0.00 0.00 61.98 63.14 1i8k s VAL 58 Cb 0.00 -4.02 -0.14 0.00 0.00 0.00 0.00 36.38 32.22 1i8k s VAL 58 CO 0.00 0.48 1.07 -2.65 0.00 0.00 0.00 175.10 174.00 1i8k n PRO 59 N 2.09 1.44 0.00 2.72 -0.02 -1.26 -4.88 135.00 135.09 1i8k n PRO 59 Ca -0.07 0.50 0.07 0.00 -2.02 0.00 0.00 63.50 61.99 1i8k n PRO 59 Cb 0.50 -1.92 0.35 0.00 -0.02 0.00 0.00 33.50 32.41 1i8k n PRO 59 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1i8k n SER 60 N 1.31 0.00 0.14 2.55 7.64 -1.26 -2.11 113.62 121.89 1i8k n SER 60 Ca 0.10 0.07 0.13 0.00 1.01 0.00 0.00 58.87 60.18 1i8k n SER 60 Cb 0.32 -0.28 0.50 0.00 -1.01 0.00 0.00 64.21 63.74 1i8k n SER 60 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 1i8k h ARG 61 N 0.00 0.00 -6.13 1.43 0.11 -1.90 -3.42 114.38 104.47 1i8k h ARG 61 Ca 0.00 0.00 -0.58 0.00 0.10 0.00 0.00 59.98 59.50 1i8k h ARG 61 Cb 0.12 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.16 1i8k h ARG 61 CO 0.00 0.00 -0.06 -0.06 0.10 0.00 0.00 179.97 179.95 1i8k s PHE 62 N -3.32 3.75 0.18 4.08 0.08 -0.90 -0.84 117.98 121.01 1i8k s PHE 62 Ca 0.05 1.19 -0.06 0.00 0.12 0.00 0.00 56.93 58.22 1i8k s PHE 62 Cb 0.10 -2.50 -0.02 0.00 -0.57 0.00 0.00 43.02 40.03 1i8k s PHE 62 CO 0.44 0.51 0.23 -1.12 -0.10 0.00 0.00 175.22 175.19 1i8k s SER 63 N -0.77 0.10 0.11 1.36 0.01 -0.31 -4.96 113.70 109.24 1i8k s SER 63 Ca 0.28 -1.05 -0.07 0.00 1.31 0.00 0.00 55.95 56.43 1i8k s SER 63 Cb -0.18 0.42 -0.01 0.00 0.21 0.00 0.00 66.02 66.45 1i8k s SER 63 CO 0.17 -0.88 0.17 -0.94 0.41 0.00 0.00 173.24 172.17 1i8k s SER 64 N -3.03 0.17 0.37 2.44 1.04 -1.26 -1.31 113.70 112.13 1i8k s SER 64 Ca 0.24 -0.81 -0.12 0.00 0.48 0.00 0.00 55.95 55.73 1i8k s SER 64 Cb 0.04 0.34 0.05 0.00 0.10 0.00 0.00 66.02 66.55 1i8k s SER 64 CO 0.04 -0.75 0.71 -1.54 0.98 0.00 0.00 173.24 172.68 1i8k n SER 65 N -0.08 -2.06 0.00 7.02 3.41 -0.06 -4.94 113.62 116.90 1i8k n SER 65 Ca -0.12 -2.59 0.00 0.00 -0.26 0.00 0.00 58.87 55.90 1i8k n SER 65 Cb 0.62 3.48 0.00 0.00 -0.26 0.00 0.00 64.21 68.06 1i8k n SER 65 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i8k n GLY 66 N -0.52 2.68 3.60 5.00 0.00 -1.26 -0.80 105.19 113.88 1i8k n GLY 66 Ca -0.07 -1.96 -0.10 0.00 0.00 0.00 0.00 46.02 43.89 1i8k n GLY 66 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1i8k s THR 67 N -2.86 0.00 0.00 2.61 -1.32 -1.10 -4.92 115.64 108.06 1i8k s THR 67 Ca 0.00 -1.40 0.00 0.00 -1.21 0.00 0.00 61.69 59.08 1i8k s THR 67 Cb 0.00 -2.33 0.00 0.00 -1.51 0.00 0.00 72.50 68.66 1i8k s THR 67 CO 0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 1i8k n GLY 68 N -0.43 1.63 0.11 6.08 0.00 -1.26 -2.08 105.19 109.24 1i8k n GLY 68 Ca -0.02 0.02 0.01 0.00 0.00 0.00 0.00 46.02 46.04 1i8k n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1i8k n THR 69 N 0.00 1.03 -3.74 2.61 -2.24 -1.26 -3.51 114.28 107.17 1i8k n THR 69 Ca 0.00 -1.04 -0.29 0.00 -2.27 0.00 0.00 64.05 60.45 1i8k n THR 69 Cb 0.00 0.47 -0.16 0.00 -2.10 0.00 0.00 70.33 68.55 1i8k n THR 69 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1i8k s ASP 70 N -1.06 3.62 0.12 3.42 3.68 -0.88 -1.14 116.67 124.42 1i8k s ASP 70 Ca 0.05 -1.31 0.10 0.00 2.13 0.00 0.00 52.55 53.52 1i8k s ASP 70 Cb 0.03 -0.77 -0.04 0.00 -1.45 0.00 0.00 42.92 40.69 1i8k s ASP 70 CO 0.03 -0.37 -0.25 -0.36 0.13 0.00 0.00 175.17 174.35 1i8k s PHE 71 N 1.70 2.11 0.03 -5.34 0.40 -0.58 -2.71 117.98 113.59 1i8k s PHE 71 Ca 0.05 -0.39 0.03 0.00 -0.60 0.00 0.00 56.93 56.02 1i8k s PHE 71 Cb -0.17 -1.15 -0.02 0.00 0.51 0.00 0.00 43.02 42.19 1i8k s PHE 71 CO -0.19 0.28 -0.10 0.08 0.70 0.00 0.00 175.22 175.99 1i8k s VAL 72 N -1.09 0.81 -0.04 -0.44 1.01 0.02 -1.08 120.40 119.58 1i8k s VAL 72 Ca 0.11 -0.82 0.04 0.00 0.00 0.00 0.00 61.98 61.31 1i8k s VAL 72 Cb -0.10 -0.75 -0.00 0.00 0.00 0.00 0.00 36.38 35.53 1i8k s VAL 72 CO 0.05 -0.05 -0.14 0.12 0.00 0.00 0.00 175.10 175.08 1i8k s PHE 73 N -0.78 1.47 0.04 5.22 2.19 -0.07 -0.88 117.98 125.17 1i8k s PHE 73 Ca -0.01 -0.42 0.02 0.00 0.33 0.00 0.00 56.93 56.86 1i8k s PHE 73 Cb -0.07 -1.01 -0.02 0.00 -1.31 0.00 0.00 43.02 40.61 1i8k s PHE 73 CO 0.01 -0.15 -0.08 0.95 1.83 0.00 0.00 175.22 177.77 1i8k s THR 74 N 0.12 0.60 -0.18 0.12 -4.23 -0.42 -0.76 115.64 110.88 1i8k s THR 74 Ca -0.04 -1.10 0.01 0.00 -1.18 0.00 0.00 61.69 59.38 1i8k s THR 74 Cb -0.11 -0.65 0.03 0.00 1.34 0.00 0.00 72.50 73.10 1i8k s THR 74 CO 0.02 -0.36 -0.17 -0.63 -0.54 0.00 0.00 174.62 172.93 1i8k s ILE 75 N -1.36 1.90 0.26 2.99 1.01 -0.65 -1.17 121.20 124.18 1i8k s ILE 75 Ca -0.09 -0.92 -0.16 0.00 0.00 0.00 0.00 60.65 59.48 1i8k s ILE 75 Cb -0.10 -1.77 -0.08 0.00 0.01 0.00 0.00 42.46 40.51 1i8k s ILE 75 CO 0.01 0.44 0.70 -1.61 0.00 0.00 0.00 174.94 174.47 1i8k s GLU 76 N 1.34 4.08 -1.22 2.79 0.41 -0.02 -0.57 118.70 125.51 1i8k s GLU 76 Ca 0.03 0.70 -0.10 0.00 -0.41 0.00 0.00 54.97 55.19 1i8k s GLU 76 Cb -0.14 -2.68 -0.01 0.00 -1.78 0.00 0.00 34.13 29.52 1i8k s GLU 76 CO -0.11 0.30 0.73 0.09 -0.49 0.00 0.00 175.26 175.77 1i8k n ASN 77 N 0.20 -3.46 -4.76 -0.19 4.13 -1.25 -4.79 115.26 105.14 1i8k n ASN 77 Ca 0.00 -0.91 -0.41 0.00 1.68 0.00 0.00 54.58 54.94 1i8k n ASN 77 Cb 0.52 -3.78 0.01 0.00 -1.54 0.00 0.00 39.78 34.99 1i8k n ASN 77 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 1i8k n THR 78 N -4.12 2.46 -4.29 3.41 -1.04 -0.68 -4.56 114.28 105.45 1i8k n THR 78 Ca -0.19 -0.50 -0.23 0.00 -2.04 0.00 0.00 64.05 61.09 1i8k n THR 78 Cb 0.64 -1.85 -0.08 0.00 -1.82 0.00 0.00 70.33 67.22 1i8k n THR 78 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1i8k s LEU 79 N -2.27 3.09 0.41 -4.42 1.43 -1.26 0.33 118.68 115.99 1i8k s LEU 79 Ca 0.58 -0.79 0.08 0.00 -1.03 0.00 0.00 54.13 52.97 1i8k s LEU 79 Cb -0.47 -1.57 0.87 0.00 0.03 0.00 0.00 46.19 45.05 1i8k s LEU 79 CO 0.60 -0.10 2.03 0.77 0.23 0.00 0.00 176.35 179.88 1i8k h SER 80 N 1.85 0.49 0.15 2.29 4.64 -1.98 -1.01 113.55 119.98 1i8k h SER 80 Ca -0.43 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1i8k h SER 80 Cb 1.25 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1i8k h SER 80 CO 0.62 0.34 0.00 -1.84 -0.87 0.00 0.00 176.83 175.08 1i8k n GLU 81 N -4.47 0.08 -0.09 4.77 0.28 -1.26 -2.30 120.64 117.65 1i8k n GLU 81 Ca 0.05 0.25 0.10 0.00 -0.16 0.00 0.00 57.16 57.40 1i8k n GLU 81 Cb 0.13 -1.50 0.36 0.00 1.43 0.00 0.00 31.44 31.86 1i8k n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1i8k n ASP 82 N -1.33 1.63 -4.75 -1.84 8.00 -0.38 -4.90 116.55 112.98 1i8k n ASP 82 Ca 0.03 -1.73 -0.42 0.00 0.71 0.00 0.00 54.79 53.38 1i8k n ASP 82 Cb 0.06 -0.12 -0.02 0.00 -0.02 0.00 0.00 41.12 41.03 1i8k n ASP 82 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1i8k s VAL 83 N -1.77 2.18 -4.52 2.53 -7.23 -0.97 -4.90 120.40 105.73 1i8k s VAL 83 Ca 0.31 0.15 0.00 0.00 -1.81 0.00 0.00 61.98 60.63 1i8k s VAL 83 Cb 0.17 -3.10 0.00 0.00 0.56 0.00 0.00 36.38 34.01 1i8k s VAL 83 CO 0.25 0.02 0.00 0.61 -0.31 0.00 0.00 175.10 175.67 1i8k n GLY 84 N 2.33 -1.77 3.66 2.32 0.00 -0.96 -4.82 105.19 105.95 1i8k n GLY 84 Ca 0.09 -1.22 -0.35 0.00 0.00 0.00 0.00 46.02 44.54 1i8k n GLY 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i8k s ASP 85 N -2.88 5.59 -0.14 1.61 1.01 -0.08 -0.45 116.67 121.32 1i8k s ASP 85 Ca 0.00 0.11 -0.02 0.00 0.71 0.00 0.00 52.55 53.35 1i8k s ASP 85 Cb 0.00 -1.89 -0.02 0.00 1.01 0.00 0.00 42.92 42.01 1i8k s ASP 85 CO 0.00 0.23 -0.06 -0.31 0.21 0.00 0.00 175.17 175.23 1i8k s TYR 86 N 0.05 2.96 0.02 4.23 2.02 0.03 -0.13 117.35 126.53 1i8k s TYR 86 Ca 0.05 -0.35 0.08 0.00 -0.37 0.00 0.00 57.07 56.48 1i8k s TYR 86 Cb -0.12 -1.90 -0.02 0.00 -0.40 0.00 0.00 41.96 39.51 1i8k s TYR 86 CO 0.01 -0.04 -0.23 0.71 -1.57 0.00 0.00 175.55 174.43 1i8k s TYR 87 N 0.23 2.00 0.19 2.71 1.51 0.11 -0.90 117.35 123.20 1i8k s TYR 87 Ca -0.04 -0.38 0.06 0.00 -1.01 0.00 0.00 57.07 55.69 1i8k s TYR 87 Cb -0.14 -1.22 -0.04 0.00 -0.11 0.00 0.00 41.96 40.45 1i8k s TYR 87 CO 0.04 0.06 0.13 0.00 -1.11 0.00 0.00 175.55 174.66 1i8k s LEU 89 N -3.30 0.47 -0.13 0.00 2.96 -0.03 -1.41 118.68 117.25 1i8k s LEU 89 Ca 0.31 0.58 -0.07 0.00 -0.22 0.00 0.00 54.13 54.73 1i8k s LEU 89 Cb -0.09 0.87 -0.04 0.00 0.50 0.00 0.00 46.19 47.43 1i8k s LEU 89 CO 0.23 -0.15 0.13 0.00 -1.32 0.00 0.00 176.35 175.23 1i8k s GLN 90 N 1.01 3.48 -0.12 1.98 1.03 -0.45 -0.84 119.66 125.75 1i8k s GLN 90 Ca -0.07 -0.16 0.16 0.00 0.04 0.00 0.00 55.36 55.32 1i8k s GLN 90 Cb -0.08 -3.18 0.27 0.00 0.03 0.00 0.00 33.01 30.05 1i8k s GLN 90 CO -0.07 0.72 1.14 -1.13 -2.54 0.00 0.00 175.29 173.41 1i8k n SER 91 N 2.17 1.95 -0.05 12.60 3.41 -0.75 -3.50 113.62 129.45 1i8k n SER 91 Ca -0.19 -3.02 -0.14 0.00 -0.26 0.00 0.00 58.87 55.26 1i8k n SER 91 Cb 0.55 -0.41 -0.07 0.00 -0.26 0.00 0.00 64.21 64.01 1i8k n SER 91 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1i8k h PHE 92 N 0.13 0.48 -3.75 7.33 3.57 -1.80 -3.47 116.94 119.44 1i8k h PHE 92 Ca -0.00 -0.16 -0.34 0.00 3.53 0.00 0.00 57.97 60.99 1i8k h PHE 92 Cb 1.07 -0.09 -0.18 0.00 2.79 0.00 0.00 35.95 39.53 1i8k h PHE 92 CO 0.10 0.83 -0.74 -0.80 -2.23 0.00 0.00 178.31 175.47 1i8k s ASN 93 N -6.25 1.50 0.04 0.41 0.02 -1.26 -5.11 114.94 104.30 1i8k s ASN 93 Ca -0.14 -0.78 -0.19 0.00 -1.02 0.00 0.00 52.86 50.74 1i8k s ASN 93 Cb 0.05 -0.01 -0.06 0.00 0.02 0.00 0.00 41.25 41.25 1i8k s ASN 93 CO 0.77 -0.23 0.55 0.54 0.02 0.00 0.00 177.10 178.75 1i8k s VAL 94 N -2.22 4.82 0.25 1.60 0.11 -1.26 -3.15 120.40 120.55 1i8k s VAL 94 Ca 0.04 1.17 -0.30 0.00 -2.93 0.00 0.00 61.98 59.96 1i8k s VAL 94 Cb -0.04 -3.88 -0.10 0.00 -1.53 0.00 0.00 36.38 30.83 1i8k s VAL 94 CO 0.01 0.53 1.39 -2.16 -3.33 0.00 0.00 175.10 171.53 1i8k s PRO 95 N -0.89 4.31 0.32 1.54 0.04 -1.26 -4.81 135.00 134.25 1i8k s PRO 95 Ca 0.29 2.23 -0.29 0.00 0.04 0.00 0.00 61.00 63.27 1i8k s PRO 95 Cb -0.19 -3.12 -0.10 0.00 0.04 0.00 0.00 34.50 31.13 1i8k s PRO 95 CO 0.18 -0.34 1.23 -0.51 0.04 0.00 0.00 177.00 177.59 1i8k s LEU 96 N -0.57 4.44 0.04 -3.56 1.43 -1.19 -4.73 118.68 114.55 1i8k s LEU 96 Ca 0.57 2.52 0.03 0.00 -1.03 0.00 0.00 54.13 56.22 1i8k s LEU 96 Cb -0.40 -3.68 -0.02 0.00 0.03 0.00 0.00 46.19 42.11 1i8k s LEU 96 CO 0.44 -0.43 -0.09 0.42 0.23 0.00 0.00 176.35 176.92 1i8k s THR 97 N -1.18 0.68 0.12 5.49 -4.23 -1.23 -5.02 115.64 110.28 1i8k s THR 97 Ca 0.48 -0.96 0.10 0.00 -1.18 0.00 0.00 61.69 60.13 1i8k s THR 97 Cb -0.36 -0.68 -0.04 0.00 1.34 0.00 0.00 72.50 72.75 1i8k s THR 97 CO 0.48 -0.22 -0.21 -0.36 -0.54 0.00 0.00 174.62 173.76 1i8k s PHE 98 N -1.08 2.46 0.82 3.99 0.40 -1.26 -1.35 117.98 121.96 1i8k s PHE 98 Ca -0.05 -0.30 -0.12 0.00 -0.60 0.00 0.00 56.93 55.86 1i8k s PHE 98 Cb -0.08 -1.31 0.08 0.00 0.51 0.00 0.00 43.02 42.21 1i8k s PHE 98 CO 0.01 0.37 1.13 0.20 0.70 0.00 0.00 175.22 177.63 1i8k s GLY 99 N -2.12 1.60 -0.39 4.36 0.00 -0.50 -4.56 107.32 105.72 1i8k s GLY 99 Ca 0.17 -0.43 0.05 0.00 0.00 0.00 0.00 44.72 44.51 1i8k s GLY 99 CO 0.09 0.04 1.82 0.00 0.00 0.00 0.00 173.10 175.06 1i8k n GLY 101 N -0.85 0.61 3.16 0.00 0.00 -1.26 -4.99 105.19 101.87 1i8k n GLY 101 Ca 0.52 -1.62 -0.31 0.00 0.00 0.00 0.00 46.02 44.62 1i8k n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i8k s THR 102 N -2.67 1.86 -0.18 2.61 2.01 -0.08 -4.78 115.64 114.40 1i8k s THR 102 Ca 0.00 -0.89 -0.21 0.00 0.31 0.00 0.00 61.69 60.90 1i8k s THR 102 Cb 0.00 -1.63 -0.03 0.00 0.01 0.00 0.00 72.50 70.85 1i8k s THR 102 CO 0.00 0.51 0.64 -0.75 -0.69 0.00 0.00 174.62 174.34 1i8k s LYS 103 N 0.57 4.24 -0.13 4.92 2.20 -0.56 -0.79 119.74 130.19 1i8k s LYS 103 Ca -0.14 0.66 -0.00 0.00 -0.36 0.00 0.00 55.97 56.13 1i8k s LYS 103 Cb -0.17 -3.56 -0.02 0.00 -1.51 0.00 0.00 37.83 32.57 1i8k s LYS 103 CO 0.04 -0.21 -0.12 -1.17 -0.36 0.00 0.00 175.35 173.53 1i8k s LEU 104 N 1.79 2.76 0.13 5.43 2.96 0.40 -1.18 118.68 130.98 1i8k s LEU 104 Ca 0.30 -0.30 0.08 0.00 -0.22 0.00 0.00 54.13 53.99 1i8k s LEU 104 Cb -0.16 -1.62 -0.04 0.00 0.50 0.00 0.00 46.19 44.87 1i8k s LEU 104 CO 0.11 0.18 -0.19 -1.61 -1.32 0.00 0.00 176.35 173.52 1i8k s GLU 105 N 0.29 1.18 0.00 1.98 2.02 -0.65 -2.26 118.70 121.26 1i8k s GLU 105 Ca -0.09 -1.28 0.00 0.00 0.02 0.00 0.00 54.97 53.61 1i8k s GLU 105 Cb -0.16 -1.31 0.00 0.00 0.10 0.00 0.00 34.13 32.77 1i8k s GLU 105 CO 0.05 0.28 0.49 -0.89 0.02 0.00 0.00 175.26 175.21