#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h0g s PHE 4 N 0.00 1.88 0.00 -2.53 0.08 -1.26 -4.91 117.98 111.24 3h0g s PHE 4 Ca 0.00 0.58 0.00 0.00 0.12 0.00 0.00 56.93 57.63 3h0g s PHE 4 Cb 0.00 -4.10 0.00 0.00 -0.57 0.00 0.00 43.02 38.35 3h0g s PHE 4 CO 0.00 -2.99 0.00 1.04 -0.10 0.00 0.00 175.22 173.17 3h0g n GLN 5 N 8.22 3.90 0.00 0.44 6.02 -1.26 -4.99 117.38 129.71 3h0g n GLN 5 Ca 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 3h0g n GLN 5 Cb 0.46 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.72 3h0g n GLN 5 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3h0g n TYR 6 N 0.00 0.00 0.00 1.08 4.01 -1.26 -3.20 117.16 117.79 3h0g n TYR 6 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3h0g n TYR 6 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 3h0g n TYR 6 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3h0g s ILE 8 N -1.84 1.59 0.00 0.00 1.01 -1.26 -2.75 121.20 117.95 3h0g s ILE 8 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.65 3h0g s ILE 8 Cb 0.00 -2.19 0.00 0.00 0.01 0.00 0.00 42.46 40.28 3h0g s ILE 8 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 174.94 174.32 3h0g n GLU 9 N -5.14 0.00 -3.15 2.79 1.02 -1.26 -4.31 120.64 110.58 3h0g n GLU 9 Ca 0.09 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.99 3h0g n GLU 9 Cb 0.58 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.95 3h0g n GLU 9 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3h0g n ASN 11 N 0.41 0.12 -3.72 0.00 3.02 -1.11 -4.87 115.26 109.12 3h0g n ASN 11 Ca 0.27 0.11 -0.05 0.00 -0.03 0.00 0.00 54.58 54.88 3h0g n ASN 11 Cb 0.49 -0.13 -0.01 0.00 -0.61 0.00 0.00 39.78 39.53 3h0g n ASN 11 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3h0g s ASN 12 N 0.76 -0.19 1.00 6.41 2.47 -1.26 -4.97 114.94 119.16 3h0g s ASN 12 Ca 0.16 -0.57 -0.26 0.00 0.42 0.00 0.00 52.86 52.61 3h0g s ASN 12 Cb -0.21 0.63 -0.19 0.00 -1.45 0.00 0.00 41.25 40.03 3h0g s ASN 12 CO 0.10 -1.17 -1.44 0.23 -3.72 0.00 0.00 177.10 171.09 3h0g n MET 13 N -0.48 -0.01 -3.60 0.43 2.81 -1.26 -4.08 117.12 110.92 3h0g n MET 13 Ca -0.05 -0.00 -0.24 0.00 -1.81 0.00 0.00 57.70 55.60 3h0g n MET 13 Cb 0.60 -1.01 -0.16 0.00 -0.71 0.00 0.00 33.22 31.94 3h0g n MET 13 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3h0g s LEU 14 N 7.91 0.24 0.54 4.03 1.43 -1.19 -4.48 118.68 127.15 3h0g s LEU 14 Ca 0.37 -0.44 -0.07 0.00 -1.03 0.00 0.00 54.13 52.96 3h0g s LEU 14 Cb 0.06 -0.12 -0.03 0.00 0.03 0.00 0.00 46.19 46.14 3h0g s LEU 14 CO 0.69 -0.33 0.87 -0.31 0.23 0.00 0.00 176.35 177.49 3h0g s TYR 15 N 2.18 3.51 -0.14 0.29 2.02 1.99 -4.76 117.35 122.44 3h0g s TYR 15 Ca 0.03 0.88 -0.05 0.00 -0.37 0.00 0.00 57.07 57.56 3h0g s TYR 15 Cb -0.15 -2.49 -0.04 0.00 -0.40 0.00 0.00 41.96 38.88 3h0g s TYR 15 CO -0.09 -0.49 0.05 -1.25 -1.57 0.00 0.00 175.55 172.20 3h0g s PRO 16 N -4.90 3.57 -0.03 -1.71 0.04 -1.26 0.38 135.00 131.09 3h0g s PRO 16 Ca 0.50 -0.33 -0.01 0.00 0.04 0.00 0.00 61.00 61.20 3h0g s PRO 16 Cb -0.10 -3.07 0.02 0.00 0.04 0.00 0.00 34.50 31.39 3h0g s PRO 16 CO 0.47 0.49 0.06 1.03 0.04 0.00 0.00 177.00 179.09 3h0g s ARG 17 N -0.26 0.02 0.49 4.56 0.52 -0.43 -4.96 118.95 118.89 3h0g s ARG 17 Ca 0.08 0.16 -0.18 0.00 -0.52 0.00 0.00 55.73 55.27 3h0g s ARG 17 Cb -0.12 -0.11 -0.08 0.00 0.52 0.00 0.00 34.95 35.15 3h0g s ARG 17 CO 0.02 -0.09 0.99 -1.21 0.02 0.00 0.00 175.30 175.02 3h0g s GLU 18 N 0.61 3.96 -0.64 3.54 2.02 -1.26 -3.29 118.70 123.63 3h0g s GLU 18 Ca -0.05 1.08 -0.01 0.00 0.02 0.00 0.00 54.97 56.01 3h0g s GLU 18 Cb -0.07 -2.13 0.44 0.00 0.10 0.00 0.00 34.13 32.47 3h0g s GLU 18 CO -0.02 -0.27 1.93 -0.25 0.02 0.00 0.00 175.26 176.67 3h0g n ASP 19 N -1.26 7.36 0.00 -0.19 8.00 -0.73 -4.97 116.55 124.76 3h0g n ASP 19 Ca 0.07 -3.79 0.00 0.00 0.71 0.00 0.00 54.79 51.78 3h0g n ASP 19 Cb 0.54 -0.91 0.00 0.00 -0.02 0.00 0.00 41.12 40.73 3h0g n ASP 19 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 3h0g n LYS 20 N -0.86 0.00 0.00 -1.24 -0.00 -1.26 0.97 118.16 115.77 3h0g n LYS 20 Ca 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.91 3h0g n LYS 20 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.69 3h0g n LYS 20 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 3h0g n VAL 21 N 0.00 0.00 0.14 0.58 0.31 -1.26 0.26 118.33 118.36 3h0g n VAL 21 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.19 3h0g n VAL 21 Cb 0.00 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.85 3h0g n VAL 21 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 3h0g h ASP 22 N 0.00 -0.28 -1.52 4.52 1.82 -0.61 -3.48 116.42 116.86 3h0g h ASP 22 Ca 0.00 -0.12 0.00 0.00 -0.39 0.00 0.00 57.03 56.52 3h0g h ASP 22 Cb 0.00 0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.08 3h0g h ASP 22 CO 0.00 -0.04 0.00 0.54 -1.61 0.00 0.00 179.24 178.13 3h0g n ARG 23 N -5.15 0.00 -3.73 0.28 1.74 0.71 -5.06 116.66 105.44 3h0g n ARG 23 Ca -0.09 0.14 -0.09 0.00 -0.77 0.00 0.00 57.85 57.04 3h0g n ARG 23 Cb 0.21 -0.76 -0.02 0.00 -1.02 0.00 0.00 32.46 30.87 3h0g n ARG 23 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3h0g s VAL 24 N -2.51 0.00 0.94 1.55 1.01 -1.26 -4.96 120.40 115.18 3h0g s VAL 24 Ca 0.00 -0.72 -0.12 0.00 0.00 0.00 0.00 61.98 61.15 3h0g s VAL 24 Cb 0.00 -1.71 0.16 0.00 0.00 0.00 0.00 36.38 34.83 3h0g s VAL 24 CO 0.00 -0.00 1.09 -0.76 0.00 0.00 0.00 175.10 175.43 3h0g s LEU 25 N -2.87 2.05 0.00 3.92 1.43 -1.26 -1.78 118.68 120.17 3h0g s LEU 25 Ca 0.08 1.51 0.00 0.00 -1.03 0.00 0.00 54.13 54.70 3h0g s LEU 25 Cb -0.04 -3.84 0.00 0.00 0.03 0.00 0.00 46.19 42.34 3h0g s LEU 25 CO 0.01 -2.93 0.00 0.54 0.23 0.00 0.00 176.35 174.20 3h0g n ARG 26 N -4.07 0.00 -3.36 1.70 5.12 -1.21 -4.05 116.66 110.78 3h0g n ARG 26 Ca 0.07 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 55.75 3h0g n ARG 26 Cb 0.55 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.84 3h0g n ARG 26 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3h0g s LEU 27 N 0.00 3.98 0.28 0.55 1.43 0.34 -1.32 118.68 123.94 3h0g s LEU 27 Ca 0.00 0.38 -0.20 0.00 -1.03 0.00 0.00 54.13 53.28 3h0g s LEU 27 Cb 0.00 -3.25 0.05 0.00 0.03 0.00 0.00 46.19 43.03 3h0g s LEU 27 CO 0.00 -0.34 0.85 0.00 0.23 0.00 0.00 176.35 177.09 3h0g s ALA 28 N -2.32 -1.18 0.22 4.21 0.00 0.16 -2.26 121.76 120.59 3h0g s ALA 28 Ca 0.41 -0.42 0.09 0.00 0.00 0.00 0.00 51.96 52.04 3h0g s ALA 28 Cb -0.10 0.73 -0.05 0.00 0.00 0.00 0.00 23.12 23.70 3h0g s ALA 28 CO 0.36 -1.03 -0.17 0.00 0.00 0.00 0.00 175.76 174.92 3h0g n ARG 30 N -0.32 0.97 -0.06 0.00 0.63 -1.26 -4.40 116.66 112.22 3h0g n ARG 30 Ca -0.08 -0.67 -0.02 0.00 -0.92 0.00 0.00 57.85 56.16 3h0g n ARG 30 Cb 0.59 -1.49 -0.01 0.00 0.45 0.00 0.00 32.46 32.01 3h0g n ARG 30 CO 0.00 0.00 0.00 -0.97 -2.51 0.00 0.00 177.63 174.15 3h0g h ASN 31 N 1.63 0.00 0.00 6.15 -1.24 -1.96 -3.49 115.58 116.67 3h0g h ASN 31 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 3h0g h ASN 31 Cb 0.59 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.64 3h0g h ASN 31 CO 0.00 0.58 0.00 0.00 -1.29 0.00 0.00 177.43 176.72 3h0g n ASP 33 N 0.00 0.00 -1.81 0.00 8.00 -1.26 -4.91 116.55 116.57 3h0g n ASP 33 Ca 0.00 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.32 3h0g n ASP 33 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3h0g n ASP 33 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h0g n TYR 34 N -0.08 -0.82 -3.24 1.24 9.36 -1.26 -4.76 117.16 117.60 3h0g n TYR 34 Ca 0.00 0.28 -0.02 0.00 3.32 0.00 0.00 57.90 61.47 3h0g n TYR 34 Cb 0.00 -0.76 -0.04 0.00 -0.63 0.00 0.00 39.34 37.91 3h0g n TYR 34 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 3h0g s SER 35 N -0.42 -0.60 0.19 2.98 1.04 -1.26 -3.80 113.70 111.83 3h0g s SER 35 Ca 0.25 0.34 0.06 0.00 0.48 0.00 0.00 55.95 57.08 3h0g s SER 35 Cb -0.28 1.63 -0.04 0.00 0.10 0.00 0.00 66.02 67.43 3h0g s SER 35 CO 0.26 -0.30 0.14 -0.70 0.98 0.00 0.00 173.24 173.62 3h0g s GLU 36 N 2.70 2.85 0.89 4.02 2.12 -0.96 -4.94 118.70 125.38 3h0g s GLU 36 Ca 0.15 -0.94 -0.11 0.00 0.36 0.00 0.00 54.97 54.42 3h0g s GLU 36 Cb -0.14 -2.59 0.13 0.00 0.26 0.00 0.00 34.13 31.79 3h0g s GLU 36 CO -0.22 0.46 1.09 0.42 -0.54 0.00 0.00 175.26 176.47 3h0g s ILE 37 N -1.85 2.68 0.81 -3.70 1.01 -1.26 -0.51 121.20 118.38 3h0g s ILE 37 Ca 0.31 0.22 -0.11 0.00 0.00 0.00 0.00 60.65 61.07 3h0g s ILE 37 Cb -0.09 -2.69 0.08 0.00 0.01 0.00 0.00 42.46 39.77 3h0g s ILE 37 CO 0.23 -0.29 1.09 0.00 0.00 0.00 0.00 174.94 175.97 3h0g s ALA 38 N -2.91 2.13 -0.17 9.38 0.00 -1.26 -4.52 121.76 124.41 3h0g s ALA 38 Ca 0.63 -0.11 -0.09 0.00 0.00 0.00 0.00 51.96 52.39 3h0g s ALA 38 Cb -0.18 -3.14 -0.07 0.00 0.00 0.00 0.00 23.12 19.72 3h0g s ALA 38 CO 0.57 -1.82 -0.22 0.00 0.00 0.00 0.00 175.76 174.28 3h0g n ALA 39 N -3.51 1.87 -2.99 0.00 0.00 -1.26 -4.99 120.51 109.62 3h0g n ALA 39 Ca 0.07 -0.69 -0.09 0.00 0.00 0.00 0.00 53.44 52.73 3h0g n ALA 39 Cb 0.56 0.27 -0.11 0.00 0.00 0.00 0.00 19.45 20.16 3h0g n ALA 39 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3h0g s THR 40 N -2.33 0.11 0.48 0.00 -4.23 -1.26 -4.89 115.64 103.51 3h0g s THR 40 Ca -0.24 -0.88 0.24 0.00 -1.18 0.00 0.00 61.69 59.63 3h0g s THR 40 Cb 0.09 -0.28 0.43 0.00 1.34 0.00 0.00 72.50 74.08 3h0g s THR 40 CO 0.30 -0.48 1.87 0.77 -0.54 0.00 0.00 174.62 176.54 3h0g h SER 41 N 4.61 0.21 -4.16 3.99 4.64 -2.06 -3.42 113.55 117.37 3h0g h SER 41 Ca -0.32 0.02 -0.54 0.00 -0.47 0.00 0.00 61.79 60.48 3h0g h SER 41 Cb 1.21 -0.01 0.18 0.00 -0.31 0.00 0.00 62.40 63.46 3h0g h SER 41 CO 0.41 0.08 0.36 0.29 -0.87 0.00 0.00 176.83 177.10 3h0g n LYS 42 N -4.40 0.39 0.00 4.77 5.02 -1.26 -4.97 118.16 117.70 3h0g n LYS 42 Ca 0.19 0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.69 3h0g n LYS 42 Cb 0.83 -2.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.39 3h0g n LYS 42 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3h0g n VAL 43 N -2.98 0.00 -4.39 -0.18 0.31 -1.26 -4.93 118.33 104.89 3h0g n VAL 43 Ca 0.14 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.24 3h0g n VAL 43 Cb 0.50 -0.12 -0.13 0.00 -0.91 0.00 0.00 33.84 33.18 3h0g n VAL 43 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 3h0g s TYR 44 N -0.74 1.65 0.06 3.52 5.04 -1.26 -4.88 117.35 120.74 3h0g s TYR 44 Ca 0.00 -0.40 0.06 0.00 -2.44 0.00 0.00 57.07 54.29 3h0g s TYR 44 Cb 0.00 -0.94 -0.03 0.00 0.35 0.00 0.00 41.96 41.34 3h0g s TYR 44 CO 0.00 0.13 -0.17 0.50 -1.34 0.00 0.00 175.55 174.67 3h0g s ARG 45 N -1.54 1.04 0.00 4.97 3.52 -1.26 -5.11 118.95 120.57 3h0g s ARG 45 Ca 0.05 -0.94 0.00 0.00 -0.13 0.00 0.00 55.73 54.71 3h0g s ARG 45 Cb -0.09 -1.13 0.00 0.00 -1.56 0.00 0.00 34.95 32.17 3h0g s ARG 45 CO 0.03 0.27 0.00 1.58 -0.81 0.00 0.00 175.30 176.37 3h0g n HIS 46 N 1.54 0.00 -0.86 5.12 -0.00 -1.26 -5.11 115.22 114.65 3h0g n HIS 46 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.53 3h0g n HIS 46 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.53 3h0g n HIS 46 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 3h0g n GLU 47 N -0.44 -0.17 0.00 1.57 1.02 -1.26 -4.91 120.64 116.45 3h0g n GLU 47 Ca 0.00 0.61 0.13 0.00 -0.02 0.00 0.00 57.16 57.88 3h0g n GLU 47 Cb 0.00 -0.45 0.44 0.00 -0.02 0.00 0.00 31.44 31.41 3h0g n GLU 47 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3h0g n LEU 48 N 0.06 0.57 0.00 -4.62 7.94 -1.26 -5.00 117.00 114.68 3h0g n LEU 48 Ca 0.00 -0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3h0g n LEU 48 Cb 0.00 -0.23 0.00 0.00 0.53 0.00 0.00 43.42 43.72 3h0g n LEU 48 CO 0.00 0.12 0.00 1.67 -1.11 0.00 0.00 177.39 178.07 3h0g n GLN 49 N -1.11 0.00 -0.59 1.96 -0.06 -1.26 -5.07 117.38 111.24 3h0g n GLN 49 Ca 0.10 0.00 -0.01 0.00 -2.00 0.00 0.00 57.00 55.09 3h0g n GLN 49 Cb 0.32 0.00 -0.01 0.00 -4.06 0.00 0.00 30.24 26.50 3h0g n GLN 49 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 3h0g n SER 50 N 0.00 -0.07 0.00 1.69 3.41 -1.26 -5.12 113.62 112.26 3h0g n SER 50 Ca 0.00 -1.36 0.00 0.00 -0.26 0.00 0.00 58.87 57.25 3h0g n SER 50 Cb 0.00 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 3h0g n SER 50 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3h0g n SER 51 N 0.02 0.00 0.00 4.04 3.41 -1.26 -5.04 113.62 114.79 3h0g n SER 51 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 3h0g n SER 51 Cb 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 3h0g n SER 51 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3h0g n ASN 52 N 0.00 0.00 0.00 4.04 6.94 -1.26 -5.03 115.26 119.96 3h0g n ASN 52 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 3h0g n ASN 52 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 3h0g n ASN 52 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 3h0g n VAL 53 N -0.05 0.00 0.00 3.53 0.31 -1.26 -4.96 118.33 115.91 3h0g n VAL 53 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3h0g n VAL 53 Cb 0.00 -0.19 0.00 0.00 -0.91 0.00 0.00 33.84 32.74 3h0g n VAL 53 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3h0g n GLU 54 N -2.13 0.00 -0.01 5.55 2.13 -1.26 0.28 120.64 125.20 3h0g n GLU 54 Ca 0.00 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.84 3h0g n GLU 54 Cb 0.00 0.00 0.02 0.00 0.27 0.00 0.00 31.44 31.73 3h0g n GLU 54 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3h0g n ASN 55 N 0.34 1.48 -2.80 4.31 5.03 -1.26 -5.00 115.26 117.36 3h0g n ASN 55 Ca 0.00 -1.30 -0.01 0.00 0.87 0.00 0.00 54.58 54.15 3h0g n ASN 55 Cb 0.00 -0.01 -0.00 0.00 -1.02 0.00 0.00 39.78 38.75 3h0g n ASN 55 CO 0.00 0.00 0.00 1.07 -1.83 0.00 0.00 177.26 176.50 3h0g n THR 56 N 0.15 -0.02 -1.50 3.41 5.66 0.81 -4.48 114.28 118.29 3h0g n THR 56 Ca 0.02 -0.01 -0.58 0.00 -3.05 0.00 0.00 64.05 60.43 3h0g n THR 56 Cb 0.13 -0.02 -0.09 0.00 -1.55 0.00 0.00 70.33 68.80 3h0g n THR 56 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 3h0g n THR 57 N -1.04 0.00 -2.63 1.09 5.66 -1.26 -4.14 114.28 111.96 3h0g n THR 57 Ca -0.00 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 60.97 3h0g n THR 57 Cb 0.01 -0.40 0.07 0.00 -1.55 0.00 0.00 70.33 68.46 3h0g n THR 57 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 3h0g n VAL 58 N 3.29 0.00 -0.11 1.08 3.14 -1.26 -4.93 118.33 119.54 3h0g n VAL 58 Ca 0.26 -0.76 0.00 0.00 -2.96 0.00 0.00 64.34 60.88 3h0g n VAL 58 Cb -0.04 0.79 0.00 0.00 -1.06 0.00 0.00 33.84 33.53 3h0g n VAL 58 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 3h0g n SER 59 N -0.77 -0.64 0.00 6.55 7.64 -1.26 -4.57 113.62 120.57 3h0g n SER 59 Ca -0.12 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.76 3h0g n SER 59 Cb 0.73 -0.79 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 3h0g n SER 59 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 3h0g n HIS 60 N -0.14 0.00 -2.68 1.43 -0.00 -1.26 0.34 115.22 112.91 3h0g n HIS 60 Ca 0.00 0.00 0.01 0.00 0.46 0.00 0.00 57.72 58.19 3h0g n HIS 60 Cb 0.05 0.00 0.04 0.00 -0.12 0.00 0.00 29.99 29.96 3h0g n HIS 60 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 3h0g n ASP 61 N -0.50 1.48 -0.11 0.26 8.00 -1.26 -4.85 116.55 119.56 3h0g n ASP 61 Ca 0.00 -2.10 -0.17 0.00 0.71 0.00 0.00 54.79 53.24 3h0g n ASP 61 Cb 0.00 -0.42 -0.13 0.00 -0.02 0.00 0.00 41.12 40.56 3h0g n ASP 61 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h0g n ALA 62 N -0.24 1.42 0.07 2.24 0.00 0.15 -4.16 120.51 119.98 3h0g n ALA 62 Ca 0.08 -1.11 0.05 0.00 0.00 0.00 0.00 53.44 52.46 3h0g n ALA 62 Cb 0.92 -0.16 0.49 0.00 0.00 0.00 0.00 19.45 20.70 3h0g n ALA 62 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3h0g h SER 63 N 0.00 0.34 -0.43 0.00 4.64 -1.88 -0.30 113.55 115.93 3h0g h SER 63 Ca -0.56 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.75 3h0g h SER 63 Cb 1.97 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.98 3h0g h SER 63 CO -0.06 0.24 0.00 0.35 -0.87 0.00 0.00 176.83 176.50 3h0g n THR 64 N -4.49 1.61 -3.09 2.95 -2.24 -1.26 -4.65 114.28 103.11 3h0g n THR 64 Ca 0.02 -0.90 -0.43 0.00 -2.27 0.00 0.00 64.05 60.46 3h0g n THR 64 Cb 0.08 -0.17 0.01 0.00 -2.10 0.00 0.00 70.33 68.15 3h0g n THR 64 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3h0g n ASP 65 N 0.59 6.19 -0.60 3.42 -0.08 -0.12 -4.87 116.55 121.08 3h0g n ASP 65 Ca 0.19 -3.33 0.45 0.00 -1.51 0.00 0.00 54.79 50.59 3h0g n ASP 65 Cb 0.79 -1.29 0.70 0.00 2.34 0.00 0.00 41.12 43.67 3h0g n ASP 65 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 3h0g n PRO 66 N 1.63 -0.00 -2.61 -0.67 -0.02 -1.26 -1.89 135.00 130.17 3h0g n PRO 66 Ca 0.26 0.96 -0.43 0.00 -2.02 0.00 0.00 63.50 62.27 3h0g n PRO 66 Cb 0.35 -2.18 0.01 0.00 -0.02 0.00 0.00 33.50 31.65 3h0g n PRO 66 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 3h0g n THR 67 N -3.77 4.84 -3.49 3.45 5.66 -1.26 -4.90 114.28 114.81 3h0g n THR 67 Ca 0.38 -5.09 -0.14 0.00 -3.05 0.00 0.00 64.05 56.16 3h0g n THR 67 Cb 1.72 -2.21 -0.04 0.00 -1.55 0.00 0.00 70.33 68.25 3h0g n THR 67 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 3h0g s LEU 68 N -1.44 -0.55 0.89 1.09 1.43 -0.79 -5.18 118.68 114.13 3h0g s LEU 68 Ca 0.36 0.31 -0.13 0.00 -1.03 0.00 0.00 54.13 53.64 3h0g s LEU 68 Cb 0.08 2.42 0.16 0.00 0.03 0.00 0.00 46.19 48.88 3h0g s LEU 68 CO 0.04 -0.72 1.24 -2.16 0.23 0.00 0.00 176.35 174.99 3h0g s PRO 69 N -2.42 1.10 0.03 1.29 0.04 -1.26 -5.01 135.00 128.77 3h0g s PRO 69 Ca -0.03 -0.37 -0.13 0.00 0.04 0.00 0.00 61.00 60.51 3h0g s PRO 69 Cb -0.01 -1.94 0.02 0.00 0.04 0.00 0.00 34.50 32.62 3h0g s PRO 69 CO -0.02 -2.09 0.28 1.03 0.04 0.00 0.00 177.00 176.24 3h0g s ARG 70 N -5.72 0.76 0.00 4.56 3.00 -1.26 -3.42 118.95 116.88 3h0g s ARG 70 Ca 0.70 -0.48 0.00 0.00 0.00 0.00 0.00 55.73 55.95 3h0g s ARG 70 Cb -0.06 0.33 0.00 0.00 0.00 0.00 0.00 34.95 35.22 3h0g s ARG 70 CO 0.51 -0.24 0.00 -1.13 0.00 0.00 0.00 175.30 174.44 3h0g n SER 71 N 0.71 0.00 -3.16 0.23 3.41 0.89 -4.86 113.62 110.84 3h0g n SER 71 Ca -0.19 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.45 3h0g n SER 71 Cb 0.59 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.53 3h0g n SER 71 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3h0g s ASP 72 N -1.00 -1.42 0.46 4.04 1.01 -1.26 -4.35 116.67 114.15 3h0g s ASP 72 Ca 0.00 0.52 0.00 0.00 0.71 0.00 0.00 52.55 53.78 3h0g s ASP 72 Cb 0.00 2.06 0.00 0.00 1.01 0.00 0.00 42.92 45.99 3h0g s ASP 72 CO 0.00 -0.28 0.00 0.29 0.21 0.00 0.00 175.17 175.39 3h0g n LYS 73 N 5.42 -2.62 -0.57 8.23 5.02 -1.26 -4.87 118.16 127.51 3h0g n LYS 73 Ca 0.02 2.12 0.00 0.00 -2.02 0.00 0.00 58.31 58.42 3h0g n LYS 73 Cb 0.52 -3.04 0.00 0.00 -0.02 0.00 0.00 35.03 32.49 3h0g n LYS 73 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3h0g n GLU 74 N -3.58 0.00 -2.79 1.97 4.71 -1.26 -4.87 120.64 114.82 3h0g n GLU 74 Ca -0.05 0.00 -0.43 0.00 -0.01 0.00 0.00 57.16 56.67 3h0g n GLU 74 Cb 0.46 -0.69 0.01 0.00 -1.01 0.00 0.00 31.44 30.21 3h0g n GLU 74 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3h0g n PRO 76 N 1.82 0.00 0.00 0.00 -0.02 -1.26 -4.12 135.00 131.42 3h0g n PRO 76 Ca 0.32 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 3h0g n PRO 76 Cb 0.33 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.81 3h0g n PRO 76 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3h0g n ARG 77 N 0.00 0.00 0.00 -0.52 5.12 -1.26 -4.72 116.66 115.28 3h0g n ARG 77 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3h0g n ARG 77 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 3h0g n ARG 77 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3h0g n HIS 79 N 0.00 0.00 0.00 0.00 1.44 -1.26 -5.14 115.22 110.26 3h0g n HIS 79 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 3h0g n HIS 79 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 3h0g n HIS 79 CO 0.00 0.00 0.00 0.94 -2.81 0.00 0.00 176.34 174.47 3h0g n GLN 80 N -1.61 0.00 -4.17 -1.40 -0.06 -1.26 -4.92 117.38 103.96 3h0g n GLN 80 Ca 0.00 0.00 -0.28 0.00 -2.00 0.00 0.00 57.00 54.72 3h0g n GLN 80 Cb 0.00 0.00 -0.04 0.00 -4.06 0.00 0.00 30.24 26.14 3h0g n GLN 80 CO 0.00 0.00 0.00 -1.58 -0.20 0.00 0.00 177.06 175.28 3h0g s HIS 81 N -1.45 1.89 0.12 3.69 5.65 -1.26 -4.15 115.29 119.78 3h0g s HIS 81 Ca 0.00 -0.82 0.00 0.00 0.25 0.00 0.00 55.06 54.49 3h0g s HIS 81 Cb 0.00 -1.84 0.00 0.00 -1.18 0.00 0.00 32.58 29.56 3h0g s HIS 81 CO 0.00 -0.15 0.00 0.39 -0.65 0.00 0.00 174.74 174.33 3h0g n GLU 82 N -1.53 -2.39 -3.66 2.88 1.02 -1.26 -4.67 120.64 111.03 3h0g n GLU 82 Ca -0.06 1.90 -0.07 0.00 -0.02 0.00 0.00 57.16 58.90 3h0g n GLU 82 Cb 0.65 -1.84 -0.08 0.00 -0.02 0.00 0.00 31.44 30.15 3h0g n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3h0g s ALA 83 N -0.61 -1.48 0.39 0.62 0.00 -1.26 -3.56 121.76 115.86 3h0g s ALA 83 Ca 0.00 1.89 -0.23 0.00 0.00 0.00 0.00 51.96 53.62 3h0g s ALA 83 Cb 0.00 -1.35 -0.10 0.00 0.00 0.00 0.00 23.12 21.67 3h0g s ALA 83 CO 0.00 -0.59 0.97 0.08 0.00 0.00 0.00 175.76 176.22 3h0g s VAL 84 N 2.16 4.16 0.00 0.00 1.01 -0.14 0.30 120.40 127.90 3h0g s VAL 84 Ca -0.06 1.55 0.00 0.00 0.00 0.00 0.00 61.98 63.46 3h0g s VAL 84 Cb -0.10 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.54 3h0g s VAL 84 CO -0.16 -0.10 0.00 2.22 0.00 0.00 0.00 175.10 177.07 3h0g n PHE 85 N -0.15 0.00 0.00 5.22 1.16 -1.22 0.67 117.46 123.14 3h0g n PHE 85 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.63 3h0g n PHE 85 Cb 0.52 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.39 3h0g n PHE 85 CO 0.00 0.00 0.00 2.48 -1.87 0.00 0.00 176.76 177.37 3h0g n TYR 86 N 0.00 0.00 -2.32 2.97 0.18 -1.18 -4.64 117.16 112.17 3h0g n TYR 86 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 3h0g n TYR 86 Cb 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 38.96 3h0g n TYR 86 CO 0.00 0.00 0.00 1.04 -2.08 0.00 0.00 176.86 175.82 3h0g n GLN 87 N -1.27 3.78 0.00 -3.48 6.02 -1.26 -1.65 117.38 119.52 3h0g n GLN 87 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3h0g n GLN 87 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 3h0g n GLN 87 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 3h0g n THR 88 N 0.00 0.00 -2.63 5.09 5.66 -1.26 -4.95 114.28 116.19 3h0g n THR 88 Ca 0.00 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 60.95 3h0g n THR 88 Cb 0.00 -0.39 -0.04 0.00 -1.55 0.00 0.00 70.33 68.35 3h0g n THR 88 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 175.07 173.59 3h0g n HIS 89 N -0.82 -4.32 -3.90 1.09 -0.00 -1.26 -5.02 115.22 100.99 3h0g n HIS 89 Ca 0.00 2.48 -0.29 0.00 -0.00 0.00 0.00 57.72 59.90 3h0g n HIS 89 Cb 0.00 -3.83 -0.16 0.00 -0.00 0.00 0.00 29.99 26.00 3h0g n HIS 89 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 3h0g s SER 90 N -0.71 3.27 0.19 0.26 1.04 -1.26 -5.03 113.70 111.47 3h0g s SER 90 Ca -0.26 -0.89 0.00 0.00 0.48 0.00 0.00 55.95 55.27 3h0g s SER 90 Cb 0.02 -1.01 0.00 0.00 0.10 0.00 0.00 66.02 65.13 3h0g s SER 90 CO 0.77 -0.21 0.00 -1.14 0.98 0.00 0.00 173.24 173.64 3h0g n ARG 91 N 4.80 0.00 -2.75 4.02 0.63 -1.26 -4.45 116.66 117.64 3h0g n ARG 91 Ca -0.12 0.00 -0.17 0.00 -0.92 0.00 0.00 57.85 56.64 3h0g n ARG 91 Cb 0.46 0.00 0.05 0.00 0.45 0.00 0.00 32.46 33.43 3h0g n ARG 91 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3h0g n ARG 92 N 0.00 0.67 0.00 -0.14 1.74 -1.26 -5.13 116.66 112.54 3h0g n ARG 92 Ca 0.00 -2.71 0.00 0.00 -0.77 0.00 0.00 57.85 54.37 3h0g n ARG 92 Cb 0.00 -0.17 0.00 0.00 -1.02 0.00 0.00 32.46 31.27 3h0g n ARG 92 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3h0g n GLY 93 N -1.07 4.80 3.44 -0.13 0.00 -1.26 -4.55 105.19 106.42 3h0g n GLY 93 Ca 0.13 -0.60 -0.44 0.00 0.00 0.00 0.00 46.02 45.11 3h0g n GLY 93 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3h0g s ASP 94 N 1.26 7.02 -0.25 1.61 1.47 -1.26 -5.06 116.67 121.47 3h0g s ASP 94 Ca 0.00 -2.91 -0.02 0.00 1.18 0.00 0.00 52.55 50.80 3h0g s ASP 94 Cb 0.00 -2.36 -0.03 0.00 -0.34 0.00 0.00 42.92 40.19 3h0g s ASP 94 CO 0.00 -0.72 1.35 0.41 0.68 0.00 0.00 175.17 176.89 3h0g n THR 95 N 4.43 0.84 0.00 2.11 -1.04 -1.26 -4.86 114.28 114.50 3h0g n THR 95 Ca 0.31 -0.48 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 3h0g n THR 95 Cb 0.43 -1.70 0.00 0.00 -1.82 0.00 0.00 70.33 67.24 3h0g n THR 95 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 3h0g n MET 96 N 4.18 0.00 -2.71 -2.82 0.00 -1.26 -4.44 117.12 110.08 3h0g n MET 96 Ca 0.15 0.00 -0.06 0.00 0.00 0.00 0.00 57.70 57.78 3h0g n MET 96 Cb 0.09 0.00 0.07 0.00 0.00 0.00 0.00 33.22 33.39 3h0g n MET 96 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 175.97 174.64 3h0g n MET 97 N 0.00 0.52 -0.02 0.03 2.81 -1.26 -4.88 117.12 114.33 3h0g n MET 97 Ca 0.00 -1.29 0.00 0.00 -1.81 0.00 0.00 57.70 54.60 3h0g n MET 97 Cb 0.00 -0.81 0.00 0.00 -0.71 0.00 0.00 33.22 31.70 3h0g n MET 97 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3h0g n THR 98 N 1.21 0.09 -1.13 2.03 -2.24 -1.26 -4.84 114.28 108.14 3h0g n THR 98 Ca 0.04 -0.02 -0.44 0.00 -2.27 0.00 0.00 64.05 61.36 3h0g n THR 98 Cb 0.69 -0.98 -0.06 0.00 -2.10 0.00 0.00 70.33 67.87 3h0g n THR 98 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3h0g n LEU 99 N 1.89 0.75 0.00 3.22 0.00 -1.26 -4.93 117.00 116.67 3h0g n LEU 99 Ca 0.00 0.77 0.00 0.00 0.00 0.00 0.00 56.01 56.78 3h0g n LEU 99 Cb 0.02 -0.57 0.00 0.00 0.00 0.00 0.00 43.42 42.87 3h0g n LEU 99 CO 0.00 -0.58 0.00 2.30 0.00 0.00 0.00 177.39 179.11 3h0g n ILE 100 N 2.52 0.00 -3.93 1.96 -5.35 -0.66 -4.67 119.36 109.23 3h0g n ILE 100 Ca 0.20 0.00 -0.08 0.00 -0.27 0.00 0.00 62.75 62.59 3h0g n ILE 100 Cb -0.03 -0.65 -0.03 0.00 -1.74 0.00 0.00 39.64 37.19 3h0g n ILE 100 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 3h0g s TYR 101 N 0.89 0.14 -0.24 4.28 1.51 -1.26 -3.12 117.35 119.55 3h0g s TYR 101 Ca 0.00 -0.56 -0.15 0.00 -1.01 0.00 0.00 57.07 55.35 3h0g s TYR 101 Cb 0.00 0.43 0.07 0.00 -0.11 0.00 0.00 41.96 42.35 3h0g s TYR 101 CO 0.00 -1.13 0.59 0.14 -1.11 0.00 0.00 175.55 174.04 3h0g s VAL 102 N -3.86 -0.01 0.86 0.71 -7.23 0.21 -3.98 120.40 107.11 3h0g s VAL 102 Ca 0.18 0.03 -0.12 0.00 -1.81 0.00 0.00 61.98 60.26 3h0g s VAL 102 Cb -0.03 -0.85 0.11 0.00 0.56 0.00 0.00 36.38 36.16 3h0g s VAL 102 CO 0.09 0.01 1.10 0.00 -0.31 0.00 0.00 175.10 175.98 3h0g n VAL 104 N -3.71 0.77 -1.16 0.00 0.31 -1.23 -4.03 118.33 109.28 3h0g n VAL 104 Ca 0.07 -0.61 -0.01 0.00 -0.01 0.00 0.00 64.34 63.78 3h0g n VAL 104 Cb 0.56 -0.44 0.25 0.00 -0.91 0.00 0.00 33.84 33.30 3h0g n VAL 104 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 3h0g n HIS 105 N -2.70 1.53 0.00 3.52 8.25 -1.26 -4.95 115.22 119.61 3h0g n HIS 105 Ca -0.05 -1.25 0.00 0.00 -0.26 0.00 0.00 57.72 56.16 3h0g n HIS 105 Cb 0.68 -0.51 0.00 0.00 1.12 0.00 0.00 29.99 31.28 3h0g n HIS 105 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3h0g n GLY 107 N 0.00 0.00 3.57 0.00 0.00 -1.26 -4.84 105.19 102.66 3h0g n GLY 107 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3h0g n GLY 107 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3h0g s PHE 108 N 0.00 2.64 -0.12 1.61 5.36 -1.26 -4.88 117.98 121.33 3h0g s PHE 108 Ca 0.00 0.38 -0.10 0.00 -0.96 0.00 0.00 56.93 56.24 3h0g s PHE 108 Cb 0.00 -4.45 -0.12 0.00 -0.34 0.00 0.00 43.02 38.11 3h0g s PHE 108 CO 0.00 -1.54 1.32 0.00 -1.46 0.00 0.00 175.22 173.54 3h0g n ALA 109 N 8.27 1.42 -1.99 11.12 0.00 -1.26 -4.55 120.51 133.52 3h0g n ALA 109 Ca 0.08 -1.11 -0.40 0.00 0.00 0.00 0.00 53.44 52.01 3h0g n ALA 109 Cb 0.49 -2.95 -0.03 0.00 0.00 0.00 0.00 19.45 16.95 3h0g n ALA 109 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3h0g s PHE 110 N 5.41 1.68 0.00 0.00 -0.12 -1.26 -4.85 117.98 118.85 3h0g s PHE 110 Ca 0.26 0.79 0.00 0.00 -0.05 0.00 0.00 56.93 57.93 3h0g s PHE 110 Cb 0.06 -4.07 0.00 0.00 -0.63 0.00 0.00 43.02 38.38 3h0g s PHE 110 CO 0.10 -2.58 0.00 -1.91 -0.05 0.00 0.00 175.22 170.78 3h0g n GLU 111 N 8.85 2.98 0.00 1.99 2.13 -1.26 -4.03 120.64 131.30 3h0g n GLU 111 Ca 0.23 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.05 3h0g n GLU 111 Cb 0.50 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.21 3h0g n GLU 111 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 3h0g n GLU 112 N 0.00 0.00 0.00 5.31 2.13 -1.26 -4.84 120.64 121.98 3h0g n GLU 112 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3h0g n GLU 112 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 3h0g n GLU 112 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66