#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dg3 s VAL 2 N 0.00 0.84 -0.14 1.61 0.11 -1.26 -1.32 120.40 120.24 2dg3 s VAL 2 Ca 0.00 -0.24 -0.11 0.00 -2.93 0.00 0.00 61.98 58.70 2dg3 s VAL 2 Cb 0.00 -0.85 -0.05 0.00 -1.53 0.00 0.00 36.38 33.95 2dg3 s VAL 2 CO 0.00 0.31 0.22 -1.58 -3.33 0.00 0.00 175.10 170.72 2dg3 s GLN 3 N 1.26 3.96 -0.22 1.54 0.74 -0.48 -4.96 119.66 121.50 2dg3 s GLN 3 Ca -0.04 -0.02 -0.01 0.00 0.05 0.00 0.00 55.36 55.34 2dg3 s GLN 3 Cb -0.14 -3.33 0.02 0.00 1.10 0.00 0.00 33.01 30.66 2dg3 s GLN 3 CO -0.02 0.47 -0.09 0.08 -0.55 0.00 0.00 175.29 175.17 2dg3 s VAL 4 N -0.20 2.78 -0.18 1.34 1.01 -1.26 -1.32 120.40 122.56 2dg3 s VAL 4 Ca 0.15 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.26 2dg3 s VAL 4 Cb -0.13 -2.32 0.02 0.00 0.00 0.00 0.00 36.38 33.96 2dg3 s VAL 4 CO 0.03 0.35 -0.19 -1.61 0.00 0.00 0.00 175.10 173.68 2dg3 s GLU 5 N 1.35 3.02 0.07 2.72 2.02 -0.21 -4.97 118.70 122.70 2dg3 s GLU 5 Ca 0.03 -0.82 -0.31 0.00 0.02 0.00 0.00 54.97 53.89 2dg3 s GLU 5 Cb -0.15 -2.60 -0.07 0.00 0.10 0.00 0.00 34.13 31.41 2dg3 s GLU 5 CO -0.06 -0.20 1.38 0.99 0.02 0.00 0.00 175.26 177.39 2dg3 s THR 6 N 1.28 3.49 -0.18 3.63 2.01 -1.26 0.64 115.64 125.24 2dg3 s THR 6 Ca 0.04 1.02 -0.14 0.00 0.31 0.00 0.00 61.69 62.92 2dg3 s THR 6 Cb -0.13 -3.65 -0.21 0.00 0.01 0.00 0.00 72.50 68.51 2dg3 s THR 6 CO -0.12 0.05 0.21 -0.38 -0.69 0.00 0.00 174.62 173.69 2dg3 n ILE 7 N 4.19 1.63 -3.82 1.82 5.41 0.18 -4.86 119.36 123.90 2dg3 n ILE 7 Ca 0.12 -0.32 -0.13 0.00 1.00 0.00 0.00 62.75 63.42 2dg3 n ILE 7 Cb 0.43 -1.88 -0.14 0.00 -0.71 0.00 0.00 39.64 37.33 2dg3 n ILE 7 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 2dg3 s SER 8 N -6.97 -0.02 0.50 4.38 0.01 -0.56 -4.98 113.70 106.06 2dg3 s SER 8 Ca -0.27 0.09 -0.21 0.00 1.31 0.00 0.00 55.95 56.87 2dg3 s SER 8 Cb 0.07 0.05 -0.07 0.00 0.21 0.00 0.00 66.02 66.27 2dg3 s SER 8 CO 0.65 -0.06 1.09 -2.16 0.41 0.00 0.00 173.24 173.17 2dg3 s PRO 9 N 0.41 3.66 0.00 12.44 0.04 -1.26 -0.72 135.00 149.57 2dg3 s PRO 9 Ca -0.03 1.51 0.00 0.00 0.04 0.00 0.00 61.00 62.52 2dg3 s PRO 9 Cb -0.05 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.36 2dg3 s PRO 9 CO -0.01 -0.57 0.00 0.41 0.04 0.00 0.00 177.00 176.86 2dg3 n GLY 10 N 0.03 0.01 0.05 0.56 0.00 -1.26 -4.35 105.19 100.24 2dg3 n GLY 10 Ca 0.10 -1.77 0.11 0.00 0.00 0.00 0.00 46.02 44.46 2dg3 n GLY 10 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2dg3 n ASP 11 N -0.70 0.32 -0.42 1.61 5.75 -0.63 -4.84 116.55 117.64 2dg3 n ASP 11 Ca 0.00 0.55 -0.05 0.00 -0.01 0.00 0.00 54.79 55.28 2dg3 n ASP 11 Cb 0.00 -0.63 -0.02 0.00 -1.03 0.00 0.00 41.12 39.44 2dg3 n ASP 11 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2dg3 n GLY 12 N 0.73 0.74 0.00 6.12 0.00 -1.26 -4.77 105.19 106.74 2dg3 n GLY 12 Ca 0.05 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2dg3 n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dg3 n ARG 13 N -1.88 0.53 -3.38 1.61 5.12 -1.26 -5.02 116.66 112.38 2dg3 n ARG 13 Ca -0.05 0.00 -0.45 0.00 -1.93 0.00 0.00 57.85 55.42 2dg3 n ARG 13 Cb 0.30 -0.60 -0.05 0.00 -1.16 0.00 0.00 32.46 30.95 2dg3 n ARG 13 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2dg3 s THR 14 N -1.20 5.05 0.08 0.55 2.01 -1.26 -5.03 115.64 115.83 2dg3 s THR 14 Ca 0.00 -1.88 0.04 0.00 0.31 0.00 0.00 61.69 60.15 2dg3 s THR 14 Cb 0.00 -4.22 -0.04 0.00 0.01 0.00 0.00 72.50 68.25 2dg3 s THR 14 CO 0.00 -0.89 0.04 -0.36 -0.69 0.00 0.00 174.62 172.72 2dg3 s PHE 15 N 1.09 3.10 0.48 4.92 0.40 -1.26 -0.56 117.98 126.15 2dg3 s PHE 15 Ca 0.08 0.03 -0.23 0.00 -0.60 0.00 0.00 56.93 56.21 2dg3 s PHE 15 Cb -0.24 -1.58 -0.07 0.00 0.51 0.00 0.00 43.02 41.65 2dg3 s PHE 15 CO -0.01 0.50 1.31 -1.25 0.70 0.00 0.00 175.22 176.47 2dg3 s PRO 16 N -2.35 3.52 0.27 0.24 0.04 -1.26 -5.02 135.00 130.44 2dg3 s PRO 16 Ca 0.28 2.13 0.01 0.00 0.04 0.00 0.00 61.00 63.46 2dg3 s PRO 16 Cb -0.12 -2.44 -0.04 0.00 0.04 0.00 0.00 34.50 31.94 2dg3 s PRO 16 CO 0.20 -0.85 0.45 0.15 0.04 0.00 0.00 177.00 176.99 2dg3 s LYS 17 N -2.67 3.49 0.16 4.56 1.02 -1.26 -5.00 119.74 120.04 2dg3 s LYS 17 Ca 0.65 -0.44 -0.32 0.00 0.02 0.00 0.00 55.97 55.89 2dg3 s LYS 17 Cb -0.37 -2.78 -0.10 0.00 -0.52 0.00 0.00 37.83 34.05 2dg3 s LYS 17 CO 0.46 0.31 1.59 1.03 -0.92 0.00 0.00 175.35 177.81 2dg3 s ARG 18 N -3.89 4.21 0.00 1.68 3.00 -1.26 -1.97 118.95 120.72 2dg3 s ARG 18 Ca 0.38 2.38 0.00 0.00 0.00 0.00 0.00 55.73 58.49 2dg3 s ARG 18 Cb -0.10 -3.19 0.00 0.00 0.00 0.00 0.00 34.95 31.66 2dg3 s ARG 18 CO 0.32 -0.63 0.00 0.41 0.00 0.00 0.00 175.30 175.40 2dg3 n GLY 19 N 3.79 0.76 3.86 -3.53 0.00 0.16 -5.00 105.19 105.23 2dg3 n GLY 19 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 2dg3 n GLY 19 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2dg3 s GLN 20 N -0.43 3.79 -0.15 1.61 0.74 -0.83 -4.80 119.66 119.59 2dg3 s GLN 20 Ca 0.00 0.23 -0.28 0.00 0.05 0.00 0.00 55.36 55.36 2dg3 s GLN 20 Cb 0.00 -3.06 -0.01 0.00 1.10 0.00 0.00 33.01 31.04 2dg3 s GLN 20 CO 0.00 0.60 0.95 0.99 -0.55 0.00 0.00 175.29 177.28 2dg3 s THR 21 N -1.30 4.80 -0.17 -0.34 2.01 -0.30 -1.59 115.64 118.75 2dg3 s THR 21 Ca 0.30 1.90 -0.12 0.00 0.31 0.00 0.00 61.69 64.08 2dg3 s THR 21 Cb -0.15 -4.25 -0.05 0.00 0.01 0.00 0.00 72.50 68.07 2dg3 s THR 21 CO 0.16 -0.01 0.22 0.00 -0.69 0.00 0.00 174.62 174.30 2dg3 s VAL 23 N 0.31 4.00 0.08 0.00 1.01 -0.56 -2.24 120.40 123.00 2dg3 s VAL 23 Ca 0.13 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 61.68 2dg3 s VAL 23 Cb -0.12 -2.95 -0.03 0.00 0.00 0.00 0.00 36.38 33.27 2dg3 s VAL 23 CO 0.02 0.23 -0.10 0.68 0.00 0.00 0.00 175.10 175.93 2dg3 s VAL 24 N 1.54 0.88 -0.08 2.92 -7.23 0.80 -0.51 120.40 118.72 2dg3 s VAL 24 Ca 0.05 -1.46 -0.01 0.00 -1.81 0.00 0.00 61.98 58.74 2dg3 s VAL 24 Cb -0.16 -1.15 -0.03 0.00 0.56 0.00 0.00 36.38 35.60 2dg3 s VAL 24 CO 0.02 -0.46 -0.03 -1.00 -0.31 0.00 0.00 175.10 173.32 2dg3 s HIS 25 N -2.02 3.07 0.05 2.82 3.76 -0.79 0.38 115.29 122.56 2dg3 s HIS 25 Ca 0.01 0.11 -0.06 0.00 -0.15 0.00 0.00 55.06 54.97 2dg3 s HIS 25 Cb -0.06 -1.76 -0.01 0.00 1.11 0.00 0.00 32.58 31.86 2dg3 s HIS 25 CO 0.00 0.40 0.10 1.52 -0.85 0.00 0.00 174.74 175.91 2dg3 s TYR 26 N -0.81 0.25 -0.06 1.40 1.13 -1.26 -0.79 117.35 117.20 2dg3 s TYR 26 Ca 0.12 -0.63 0.02 0.00 -1.41 0.00 0.00 57.07 55.17 2dg3 s TYR 26 Cb -0.11 -0.16 0.02 0.00 -1.10 0.00 0.00 41.96 40.60 2dg3 s TYR 26 CO 0.02 -0.42 -0.09 0.99 -2.51 0.00 0.00 175.55 173.54 2dg3 s THR 27 N -3.21 0.87 -0.06 -3.49 2.01 -0.53 -1.27 115.64 109.95 2dg3 s THR 27 Ca 0.00 -0.31 0.03 0.00 0.31 0.00 0.00 61.69 61.72 2dg3 s THR 27 Cb 0.02 -0.83 -0.02 0.00 0.01 0.00 0.00 72.50 71.68 2dg3 s THR 27 CO -0.07 0.30 -0.14 -0.83 -0.69 0.00 0.00 174.62 173.18 2dg3 s GLY 28 N 0.84 1.53 0.04 4.40 0.00 0.13 -0.75 107.32 113.51 2dg3 s GLY 28 Ca -0.12 -0.97 -0.08 0.00 0.00 0.00 0.00 44.72 43.56 2dg3 s GLY 28 CO 0.01 -0.68 0.15 -3.16 0.00 0.00 0.00 173.10 169.43 2dg3 s MET 29 N -0.57 0.64 0.34 2.90 0.23 0.04 -1.35 119.30 121.53 2dg3 s MET 29 Ca 0.08 -0.66 -0.28 0.00 -1.03 0.00 0.00 55.69 53.80 2dg3 s MET 29 Cb -0.11 0.26 -0.09 0.00 -1.53 0.00 0.00 34.83 33.35 2dg3 s MET 29 CO 0.01 -0.17 1.20 -0.51 -2.03 0.00 0.00 175.02 173.52 2dg3 s LEU 30 N -2.06 4.37 0.07 0.18 1.43 -0.68 -0.49 118.68 121.50 2dg3 s LEU 30 Ca -0.06 2.45 -0.33 0.00 -1.03 0.00 0.00 54.13 55.17 2dg3 s LEU 30 Cb -0.01 -3.79 -0.12 0.00 0.03 0.00 0.00 46.19 42.30 2dg3 s LEU 30 CO -0.04 -0.49 1.77 1.21 0.23 0.00 0.00 176.35 179.04 2dg3 n GLU 31 N 0.62 2.40 -2.95 1.70 2.13 -0.13 -0.29 120.64 124.11 2dg3 n GLU 31 Ca 0.01 0.87 -0.18 0.00 0.66 0.00 0.00 57.16 58.52 2dg3 n GLU 31 Cb 0.44 -2.71 -0.00 0.00 0.27 0.00 0.00 31.44 29.44 2dg3 n GLU 31 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2dg3 n ASP 32 N 5.27 -4.00 0.00 4.31 8.00 -1.26 -4.90 116.55 123.97 2dg3 n ASP 32 Ca 0.19 -0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.56 2dg3 n ASP 32 Cb 0.32 -3.33 0.00 0.00 -0.02 0.00 0.00 41.12 38.09 2dg3 n ASP 32 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dg3 n GLY 33 N -1.05 5.42 3.79 0.44 0.00 0.60 -5.15 105.19 109.23 2dg3 n GLY 33 Ca -0.08 -1.27 -0.38 0.00 0.00 0.00 0.00 46.02 44.29 2dg3 n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dg3 s LYS 34 N 1.84 4.47 0.06 1.61 1.02 -1.26 -4.61 119.74 122.86 2dg3 s LYS 34 Ca 0.00 1.08 -0.31 0.00 0.02 0.00 0.00 55.97 56.76 2dg3 s LYS 34 Cb 0.00 -3.10 -0.06 0.00 -0.52 0.00 0.00 37.83 34.15 2dg3 s LYS 34 CO 0.00 0.49 1.29 0.15 -0.92 0.00 0.00 175.35 176.37 2dg3 s LYS 35 N -1.48 4.37 -0.01 1.68 1.02 -1.26 -1.68 119.74 122.38 2dg3 s LYS 35 Ca 0.39 1.89 0.07 0.00 0.02 0.00 0.00 55.97 58.34 2dg3 s LYS 35 Cb -0.21 -3.37 -0.10 0.00 -0.52 0.00 0.00 37.83 33.63 2dg3 s LYS 35 CO 0.24 -0.38 0.20 1.97 -0.92 0.00 0.00 175.35 176.46 2dg3 n PHE 36 N 4.29 0.00 -3.60 3.18 1.16 -0.46 -4.97 117.46 117.06 2dg3 n PHE 36 Ca 0.11 0.00 -0.16 0.00 -1.87 0.00 0.00 57.45 55.53 2dg3 n PHE 36 Cb 0.45 -0.11 -0.07 0.00 -1.61 0.00 0.00 39.48 38.14 2dg3 n PHE 36 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 2dg3 s ASP 37 N -2.44 -0.62 -0.25 5.98 3.68 -1.16 -5.02 116.67 116.83 2dg3 s ASP 37 Ca -0.01 0.90 -0.06 0.00 2.13 0.00 0.00 52.55 55.52 2dg3 s ASP 37 Cb 0.05 0.85 0.13 0.00 -1.45 0.00 0.00 42.92 42.49 2dg3 s ASP 37 CO 0.29 -0.43 0.50 -0.55 0.13 0.00 0.00 175.17 175.11 2dg3 s SER 38 N -0.57 -0.60 0.50 -0.34 0.15 -1.26 0.17 113.70 111.75 2dg3 s SER 38 Ca -0.07 0.95 0.29 0.00 0.70 0.00 0.00 55.95 57.83 2dg3 s SER 38 Cb -0.02 1.71 1.07 0.00 -1.71 0.00 0.00 66.02 67.06 2dg3 s SER 38 CO 0.06 -0.25 1.88 0.77 1.20 0.00 0.00 173.24 176.89 2dg3 h SER 39 N 8.10 0.00 0.37 5.45 4.64 -1.52 -2.93 113.55 127.65 2dg3 h SER 39 Ca -0.19 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.03 2dg3 h SER 39 Cb 1.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 2dg3 h SER 39 CO 0.18 0.06 -0.44 0.03 -0.87 0.00 0.00 176.83 175.79 2dg3 h ARG 40 N 0.00 0.09 0.00 4.77 3.08 -1.85 -2.93 114.38 117.54 2dg3 h ARG 40 Ca -0.00 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 2dg3 h ARG 40 Cb 0.66 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 2dg3 h ARG 40 CO 0.01 0.52 -0.27 -0.44 -1.07 0.00 0.00 179.97 178.72 2dg3 h ASP 41 N 0.08 0.00 -0.39 7.04 3.45 -1.86 -2.78 116.42 121.96 2dg3 h ASP 41 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2dg3 h ASP 41 Cb 0.81 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.58 2dg3 h ASP 41 CO 0.06 0.27 0.00 -2.11 -1.57 0.00 0.00 179.24 175.89 2dg3 n ARG 42 N -3.47 2.49 -3.58 3.56 1.85 -1.16 -4.98 116.66 111.38 2dg3 n ARG 42 Ca -0.00 -2.26 -0.27 0.00 -1.00 0.00 0.00 57.85 54.33 2dg3 n ARG 42 Cb 0.44 -1.51 0.02 0.00 -1.05 0.00 0.00 32.46 30.36 2dg3 n ARG 42 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2dg3 n ASN 43 N 1.46 -4.82 -3.63 2.89 3.02 -1.05 -4.96 115.26 108.17 2dg3 n ASN 43 Ca 0.19 -0.57 -0.11 0.00 -0.03 0.00 0.00 54.58 54.07 2dg3 n ASN 43 Cb 0.60 -3.89 -0.11 0.00 -0.61 0.00 0.00 39.78 35.77 2dg3 n ASN 43 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2dg3 s LYS 44 N -6.27 0.26 0.59 3.52 3.01 -1.19 -5.08 119.74 114.57 2dg3 s LYS 44 Ca 0.52 0.86 -0.20 0.00 -1.01 0.00 0.00 55.97 56.15 2dg3 s LYS 44 Cb -0.26 0.09 -0.03 0.00 -1.01 0.00 0.00 37.83 36.61 2dg3 s LYS 44 CO 0.65 -0.31 1.31 -2.14 0.51 0.00 0.00 175.35 175.36 2dg3 s PRO 45 N 2.53 2.89 0.13 -1.68 0.02 -1.26 -4.74 135.00 132.89 2dg3 s PRO 45 Ca 0.01 2.10 -0.23 0.00 0.02 0.00 0.00 61.00 62.90 2dg3 s PRO 45 Cb -0.12 -2.05 -0.07 0.00 0.02 0.00 0.00 34.50 32.27 2dg3 s PRO 45 CO -0.11 -1.35 0.69 0.12 -0.33 0.00 0.00 177.00 176.03 2dg3 s PHE 46 N -1.38 3.87 -0.03 6.54 5.36 0.16 -4.86 117.98 127.64 2dg3 s PHE 46 Ca 0.77 1.49 0.05 0.00 -0.96 0.00 0.00 56.93 58.28 2dg3 s PHE 46 Cb -0.38 -2.66 -0.01 0.00 -0.34 0.00 0.00 43.02 39.63 2dg3 s PHE 46 CO 0.42 0.55 -0.18 0.15 -1.46 0.00 0.00 175.22 174.70 2dg3 s LYS 47 N -1.14 1.68 0.05 10.12 1.02 -1.26 -0.14 119.74 130.07 2dg3 s LYS 47 Ca 0.33 -0.63 -0.10 0.00 0.02 0.00 0.00 55.97 55.59 2dg3 s LYS 47 Cb -0.22 -1.52 0.01 0.00 -0.52 0.00 0.00 37.83 35.58 2dg3 s LYS 47 CO 0.23 0.30 0.22 -0.59 -0.92 0.00 0.00 175.35 174.60 2dg3 s PHE 48 N -0.14 0.04 -0.25 3.18 -0.71 -0.95 -4.99 117.98 114.16 2dg3 s PHE 48 Ca 0.00 -0.30 -0.13 0.00 -1.04 0.00 0.00 56.93 55.46 2dg3 s PHE 48 Cb -0.10 -0.01 -0.04 0.00 -1.21 0.00 0.00 43.02 41.66 2dg3 s PHE 48 CO 0.01 -0.48 0.28 1.41 -1.34 0.00 0.00 175.22 175.10 2dg3 s MET 49 N -2.91 4.06 0.28 1.99 1.75 -1.26 -0.32 119.30 122.88 2dg3 s MET 49 Ca -0.02 -0.09 -0.29 0.00 -1.25 0.00 0.00 55.69 54.03 2dg3 s MET 49 Cb 0.01 -3.59 -0.10 0.00 2.84 0.00 0.00 34.83 33.99 2dg3 s MET 49 CO -0.06 -0.10 1.23 -1.17 -0.65 0.00 0.00 175.02 174.28 2dg3 s LEU 50 N 1.52 4.47 -0.42 4.11 2.96 -0.62 -3.40 118.68 127.29 2dg3 s LEU 50 Ca 0.12 2.47 0.00 0.00 -0.22 0.00 0.00 54.13 56.50 2dg3 s LEU 50 Cb -0.15 -3.63 0.00 0.00 0.50 0.00 0.00 46.19 42.91 2dg3 s LEU 50 CO 0.08 -0.39 0.00 0.61 -1.32 0.00 0.00 176.35 175.33 2dg3 n GLY 51 N 1.31 0.32 0.01 7.98 0.00 -1.26 0.39 105.19 113.94 2dg3 n GLY 51 Ca 0.01 -0.74 0.01 0.00 0.00 0.00 0.00 46.02 45.30 2dg3 n GLY 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dg3 n LYS 52 N -1.81 2.51 -2.93 1.61 4.01 -1.22 -4.78 118.16 115.55 2dg3 n LYS 52 Ca -0.05 -1.45 -0.20 0.00 -0.51 0.00 0.00 58.31 56.09 2dg3 n LYS 52 Cb 0.44 -0.97 0.01 0.00 -0.51 0.00 0.00 35.03 34.00 2dg3 n LYS 52 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 2dg3 n GLN 53 N -0.50 -3.42 0.08 1.97 3.00 -1.26 -4.87 117.38 112.38 2dg3 n GLN 53 Ca 0.01 0.70 -0.06 0.00 -0.01 0.00 0.00 57.00 57.63 2dg3 n GLN 53 Cb 0.31 -5.42 -0.04 0.00 0.00 0.00 0.00 30.24 25.08 2dg3 n GLN 53 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 2dg3 h GLU 54 N -0.77 0.03 -5.45 -1.09 5.08 -1.95 -3.47 114.58 106.97 2dg3 h GLU 54 Ca -0.44 -0.04 -0.49 0.00 -1.00 0.00 0.00 59.36 57.39 2dg3 h GLU 54 Cb 1.30 0.01 -0.14 0.00 0.50 0.00 0.00 28.75 30.43 2dg3 h GLU 54 CO 0.50 0.92 -0.66 0.14 -1.00 0.00 0.00 179.01 178.91 2dg3 s VAL 55 N -2.97 1.56 0.70 3.13 -7.23 -1.26 -5.10 120.40 109.24 2dg3 s VAL 55 Ca -0.00 -2.09 -0.16 0.00 -1.81 0.00 0.00 61.98 57.92 2dg3 s VAL 55 Cb 0.11 -2.55 0.00 0.00 0.56 0.00 0.00 36.38 34.50 2dg3 s VAL 55 CO 0.81 -0.22 1.02 2.30 -0.31 0.00 0.00 175.10 178.70 2dg3 n ILE 56 N -0.62 3.16 -0.30 -0.62 -5.35 -1.26 -4.65 119.36 109.71 2dg3 n ILE 56 Ca -0.05 -0.39 0.05 0.00 -0.27 0.00 0.00 62.75 62.09 2dg3 n ILE 56 Cb 0.64 -1.16 0.20 0.00 -1.74 0.00 0.00 39.64 37.58 2dg3 n ILE 56 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 2dg3 h ARG 57 N -0.11 0.73 -0.72 6.28 2.43 -1.78 -0.95 114.38 120.26 2dg3 h ARG 57 Ca -0.48 -0.04 0.07 0.00 -0.81 0.00 0.00 59.98 58.72 2dg3 h ARG 57 Cb 1.34 -0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 30.68 2dg3 h ARG 57 CO 0.48 0.48 0.47 0.78 -1.51 0.00 0.00 179.97 180.68 2dg3 h GLY 58 N 0.75 0.94 0.93 2.80 0.00 -1.33 -0.37 103.07 106.79 2dg3 h GLY 58 Ca 0.44 -0.29 -0.17 0.00 0.00 0.00 0.00 47.33 47.30 2dg3 h GLY 58 CO -0.29 0.21 -0.63 1.49 0.00 0.00 0.00 176.54 177.32 2dg3 h TRP 59 N 0.73 0.77 -0.27 5.60 4.06 -1.48 -0.87 115.95 124.49 2dg3 h TRP 59 Ca 0.31 -0.37 0.04 0.00 2.06 0.00 0.00 58.89 60.94 2dg3 h TRP 59 Cb 0.29 -0.11 -0.04 0.00 -1.00 0.00 0.00 29.16 28.31 2dg3 h TRP 59 CO -0.00 1.17 0.05 0.93 -3.56 0.00 0.00 178.44 177.03 2dg3 h GLU 60 N 0.14 0.14 0.00 0.49 4.39 -0.60 -0.24 114.58 118.91 2dg3 h GLU 60 Ca -0.06 -0.01 -0.23 0.00 0.34 0.00 0.00 59.36 59.40 2dg3 h GLU 60 Cb 1.29 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.87 2dg3 h GLU 60 CO 0.13 0.09 -1.15 0.93 -1.16 0.00 0.00 179.01 177.85 2dg3 h GLU 61 N 0.15 0.01 -0.00 2.33 5.08 -1.19 -3.00 114.58 117.95 2dg3 h GLU 61 Ca 0.13 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2dg3 h GLU 61 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2dg3 h GLU 61 CO -0.17 0.90 -0.01 0.78 -1.00 0.00 0.00 179.01 179.51 2dg3 h GLY 62 N 3.07 0.01 1.83 -3.84 0.00 -1.02 -3.25 103.07 99.88 2dg3 h GLY 62 Ca -0.07 -0.02 -0.12 0.00 0.00 0.00 0.00 47.33 47.12 2dg3 h GLY 62 CO 0.12 0.01 -0.49 -2.08 0.00 0.00 0.00 176.54 174.11 2dg3 h VAL 63 N -0.56 1.35 -0.45 4.60 2.07 -1.18 -3.05 116.25 119.02 2dg3 h VAL 63 Ca 0.00 -1.71 0.09 0.00 0.82 0.00 0.00 66.70 65.89 2dg3 h VAL 63 Cb 0.59 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 32.17 2dg3 h VAL 63 CO 0.00 0.50 0.31 0.00 0.02 0.00 0.00 177.57 178.41 2dg3 h ALA 64 N 1.35 2.11 -0.51 1.67 0.00 -1.59 -1.66 119.26 120.64 2dg3 h ALA 64 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2dg3 h ALA 64 Cb 0.92 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2dg3 h ALA 64 CO 0.07 -0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.11 2dg3 n GLN 65 N -4.46 2.29 -3.95 0.00 10.64 -1.15 -4.56 117.38 116.18 2dg3 n GLN 65 Ca 0.07 -1.99 -0.35 0.00 -1.83 0.00 0.00 57.00 52.90 2dg3 n GLN 65 Cb 0.35 -1.45 -0.06 0.00 -0.86 0.00 0.00 30.24 28.23 2dg3 n GLN 65 CO 0.00 0.00 0.00 -1.64 -1.83 0.00 0.00 177.06 173.59 2dg3 s MET 66 N -1.33 3.36 0.26 2.61 -1.94 -0.63 -5.12 119.30 116.52 2dg3 s MET 66 Ca 0.38 -0.28 0.05 0.00 -1.71 0.00 0.00 55.69 54.13 2dg3 s MET 66 Cb 0.20 -3.08 -0.03 0.00 2.01 0.00 0.00 34.83 33.94 2dg3 s MET 66 CO 0.27 0.71 0.38 -1.54 -0.01 0.00 0.00 175.02 174.82 2dg3 s SER 67 N -1.53 6.23 0.16 3.03 1.04 -1.26 -4.24 113.70 117.13 2dg3 s SER 67 Ca 0.21 0.01 -0.33 0.00 0.48 0.00 0.00 55.95 56.33 2dg3 s SER 67 Cb -0.12 -1.72 -0.13 0.00 0.10 0.00 0.00 66.02 64.15 2dg3 s SER 67 CO 0.12 -0.14 1.68 0.52 0.98 0.00 0.00 173.24 176.40 2dg3 n VAL 68 N -1.45 0.07 -0.01 5.02 0.31 0.27 -1.31 118.33 121.23 2dg3 n VAL 68 Ca -0.07 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 2dg3 n VAL 68 Cb 0.57 -1.80 0.00 0.00 -0.91 0.00 0.00 33.84 31.70 2dg3 n VAL 68 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2dg3 n GLY 69 N 3.78 0.62 3.75 2.92 0.00 0.58 -1.61 105.19 115.24 2dg3 n GLY 69 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 2dg3 n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2dg3 s GLN 70 N -0.79 4.74 -0.10 1.61 0.74 -0.43 -4.26 119.66 121.17 2dg3 s GLN 70 Ca 0.00 1.67 0.04 0.00 0.05 0.00 0.00 55.36 57.11 2dg3 s GLN 70 Cb 0.00 -3.23 0.00 0.00 1.10 0.00 0.00 33.01 30.88 2dg3 s GLN 70 CO 0.00 0.35 -0.21 0.50 -0.55 0.00 0.00 175.29 175.37 2dg3 s ARG 71 N -1.32 2.77 0.02 1.67 3.52 0.10 -0.61 118.95 125.09 2dg3 s ARG 71 Ca 0.43 -0.78 -0.03 0.00 -0.13 0.00 0.00 55.73 55.22 2dg3 s ARG 71 Cb -0.29 -2.12 -0.01 0.00 -1.56 0.00 0.00 34.95 30.96 2dg3 s ARG 71 CO 0.37 0.14 0.04 0.00 -0.81 0.00 0.00 175.30 175.03 2dg3 s ALA 72 N 0.44 -0.03 -0.31 6.12 0.00 0.11 0.47 121.76 128.56 2dg3 s ALA 72 Ca -0.17 -0.47 -0.20 0.00 0.00 0.00 0.00 51.96 51.12 2dg3 s ALA 72 Cb -0.17 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 2dg3 s ALA 72 CO 0.07 -0.20 0.63 0.21 0.00 0.00 0.00 175.76 176.47 2dg3 s LYS 73 N -1.69 3.86 -0.31 0.00 2.20 0.21 -1.32 119.74 122.70 2dg3 s LYS 73 Ca -0.13 0.26 -0.11 0.00 -0.36 0.00 0.00 55.97 55.63 2dg3 s LYS 73 Cb -0.07 -3.74 -0.02 0.00 -1.51 0.00 0.00 37.83 32.48 2dg3 s LYS 73 CO -0.01 -0.60 0.18 -0.51 -0.36 0.00 0.00 175.35 174.05 2dg3 s LEU 74 N 2.62 4.14 -0.38 5.43 1.02 0.64 -1.05 118.68 131.12 2dg3 s LEU 74 Ca 0.25 -0.33 -0.12 0.00 0.02 0.00 0.00 54.13 53.95 2dg3 s LEU 74 Cb -0.15 -2.07 0.02 0.00 0.02 0.00 0.00 46.19 44.01 2dg3 s LEU 74 CO 0.12 -0.15 0.24 -0.89 0.02 0.00 0.00 176.35 175.69 2dg3 s THR 75 N 1.69 4.90 -0.27 5.49 2.01 -0.44 -0.92 115.64 128.11 2dg3 s THR 75 Ca 0.06 -0.67 -0.05 0.00 0.31 0.00 0.00 61.69 61.35 2dg3 s THR 75 Cb -0.17 -3.68 0.01 0.00 0.01 0.00 0.00 72.50 68.67 2dg3 s THR 75 CO 0.09 -0.20 0.01 -0.63 -0.69 0.00 0.00 174.62 173.20 2dg3 s ILE 76 N 1.62 3.52 0.74 1.82 1.01 0.69 -1.38 121.20 129.22 2dg3 s ILE 76 Ca 0.04 -0.76 -0.13 0.00 0.00 0.00 0.00 60.65 59.80 2dg3 s ILE 76 Cb -0.19 -2.77 0.04 0.00 0.01 0.00 0.00 42.46 39.55 2dg3 s ILE 76 CO 0.08 0.18 1.12 -0.94 0.00 0.00 0.00 174.94 175.38 2dg3 s SER 77 N 1.44 4.52 0.30 3.58 1.04 -0.44 -0.89 113.70 123.26 2dg3 s SER 77 Ca 0.02 2.02 0.05 0.00 0.48 0.00 0.00 55.95 58.52 2dg3 s SER 77 Cb -0.16 -2.55 0.74 0.00 0.10 0.00 0.00 66.02 64.14 2dg3 s SER 77 CO -0.01 -2.03 1.75 -0.65 0.98 0.00 0.00 173.24 173.29 2dg3 h PRO 78 N -0.62 0.62 0.00 4.02 0.11 -1.89 -0.85 132.00 133.40 2dg3 h PRO 78 Ca -0.45 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 2dg3 h PRO 78 Cb 1.25 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 2dg3 h PRO 78 CO 0.51 0.41 -0.06 0.38 -0.21 0.00 0.00 178.00 179.03 2dg3 h ASP 79 N 0.64 0.00 -0.27 -2.05 -0.00 -1.91 0.24 116.42 113.06 2dg3 h ASP 79 Ca 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.60 2dg3 h ASP 79 Cb 0.96 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.29 2dg3 h ASP 79 CO -0.42 0.06 0.00 -1.22 -0.00 0.00 0.00 179.24 177.66 2dg3 n TYR 80 N -3.45 0.34 0.00 4.15 4.02 -0.36 -4.81 117.16 117.05 2dg3 n TYR 80 Ca -0.02 -0.19 0.00 0.00 -0.01 0.00 0.00 57.90 57.69 2dg3 n TYR 80 Cb 0.20 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.51 2dg3 n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2dg3 n ALA 81 N 1.34 0.00 -0.05 -0.72 0.00 -0.44 -0.83 120.51 119.81 2dg3 n ALA 81 Ca 0.17 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.67 2dg3 n ALA 81 Cb 0.57 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.17 2dg3 n ALA 81 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2dg3 n TYR 82 N 0.00 0.43 -3.63 0.00 4.01 -1.12 -4.75 117.16 112.10 2dg3 n TYR 82 Ca 0.00 -0.40 0.00 0.00 -0.16 0.00 0.00 57.90 57.34 2dg3 n TYR 82 Cb 0.00 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.01 2dg3 n TYR 82 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2dg3 n GLY 83 N 0.70 1.44 0.25 2.72 0.00 0.70 -0.65 105.19 110.35 2dg3 n GLY 83 Ca 0.12 -0.52 0.14 0.00 0.00 0.00 0.00 46.02 45.77 2dg3 n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dg3 h ALA 84 N -0.73 1.00 0.23 4.61 0.00 -1.95 -1.32 119.26 121.11 2dg3 h ALA 84 Ca 0.00 -0.05 -0.33 0.00 0.00 0.00 0.00 54.91 54.52 2dg3 h ALA 84 Cb 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 17.81 2dg3 h ALA 84 CO 0.00 0.07 -1.49 1.15 0.00 0.00 0.00 179.25 178.99 2dg3 h THR 85 N 0.00 1.27 -0.29 0.00 2.02 -1.92 -3.41 112.91 110.58 2dg3 h THR 85 Ca -0.00 -2.73 0.02 0.00 0.77 0.00 0.00 66.41 64.47 2dg3 h THR 85 Cb 0.68 3.00 -0.00 0.00 -1.74 0.00 0.00 68.15 70.09 2dg3 h THR 85 CO 0.01 0.83 -0.03 0.61 0.37 0.00 0.00 175.52 177.31 2dg3 n GLY 86 N 1.71 -2.08 3.25 2.16 0.00 0.17 -4.41 105.19 105.99 2dg3 n GLY 86 Ca -0.17 -1.43 -0.35 0.00 0.00 0.00 0.00 46.02 44.07 2dg3 n GLY 86 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2dg3 s HIS 87 N -0.48 3.10 -0.46 1.61 2.46 0.32 -4.87 115.29 116.96 2dg3 s HIS 87 Ca 0.00 -1.37 -0.46 0.00 0.47 0.00 0.00 55.06 53.71 2dg3 s HIS 87 Cb 0.00 -2.13 -0.19 0.00 -0.13 0.00 0.00 32.58 30.13 2dg3 s HIS 87 CO 0.00 -0.68 1.67 -2.30 -2.47 0.00 0.00 174.74 170.96 2dg3 n PRO 88 N 4.73 0.19 -0.14 2.88 -0.02 -1.26 -1.07 135.00 140.31 2dg3 n PRO 88 Ca -0.16 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.39 2dg3 n PRO 88 Cb 0.47 -1.61 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 2dg3 n PRO 88 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2dg3 n GLY 89 N 4.33 2.48 1.25 -1.23 0.00 -1.26 -4.73 105.19 106.03 2dg3 n GLY 89 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.34 2dg3 n GLY 89 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2dg3 n ILE 90 N -2.00 0.30 -4.06 -0.61 2.08 -0.47 -5.05 119.36 109.55 2dg3 n ILE 90 Ca 0.00 0.10 -0.34 0.00 0.56 0.00 0.00 62.75 63.07 2dg3 n ILE 90 Cb 0.00 -1.28 -0.14 0.00 -0.75 0.00 0.00 39.64 37.46 2dg3 n ILE 90 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 2dg3 s ILE 91 N -2.00 3.07 0.75 1.39 -1.09 -0.23 -4.97 121.20 118.11 2dg3 s ILE 91 Ca 0.00 -0.60 -0.11 0.00 -2.23 0.00 0.00 60.65 57.71 2dg3 s ILE 91 Cb 0.00 -2.37 0.04 0.00 -1.58 0.00 0.00 42.46 38.55 2dg3 s ILE 91 CO 0.00 0.46 1.08 -2.16 -1.23 0.00 0.00 174.94 173.09 2dg3 s PRO 92 N 1.29 2.50 0.27 2.79 0.04 -1.26 -0.52 135.00 140.11 2dg3 s PRO 92 Ca 0.03 0.76 -0.28 0.00 0.04 0.00 0.00 61.00 61.55 2dg3 s PRO 92 Cb -0.14 -1.96 -0.15 0.00 0.04 0.00 0.00 34.50 32.30 2dg3 s PRO 92 CO -0.04 -1.35 0.94 -2.30 0.04 0.00 0.00 177.00 174.29 2dg3 n PRO 93 N -3.27 1.12 -3.55 0.56 -0.02 -1.26 -3.24 135.00 125.33 2dg3 n PRO 93 Ca 0.07 0.39 -0.23 0.00 -2.02 0.00 0.00 63.50 61.72 2dg3 n PRO 93 Cb 0.55 -1.71 0.08 0.00 -0.02 0.00 0.00 33.50 32.39 2dg3 n PRO 93 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 2dg3 n HIS 94 N 0.29 -2.77 -3.38 6.00 -0.00 -0.50 -4.97 115.22 109.89 2dg3 n HIS 94 Ca 0.11 0.97 -0.38 0.00 -0.00 0.00 0.00 57.72 58.42 2dg3 n HIS 94 Cb 0.30 -4.86 -0.08 0.00 -0.00 0.00 0.00 29.99 25.35 2dg3 n HIS 94 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2dg3 s ALA 95 N -3.31 3.56 -0.07 1.57 0.00 -1.20 -4.85 121.76 117.47 2dg3 s ALA 95 Ca 0.56 -0.54 -0.26 0.00 0.00 0.00 0.00 51.96 51.71 2dg3 s ALA 95 Cb -0.25 -2.64 -0.03 0.00 0.00 0.00 0.00 23.12 20.20 2dg3 s ALA 95 CO 0.70 -0.33 0.84 0.99 0.00 0.00 0.00 175.76 177.95 2dg3 s THR 96 N 1.38 4.94 0.02 0.00 2.01 -1.26 -3.78 115.64 118.95 2dg3 s THR 96 Ca 0.19 1.72 0.02 0.00 0.31 0.00 0.00 61.69 63.93 2dg3 s THR 96 Cb -0.15 -4.17 -0.04 0.00 0.01 0.00 0.00 72.50 68.16 2dg3 s THR 96 CO 0.08 0.16 0.01 -0.76 -0.69 0.00 0.00 174.62 173.42 2dg3 s LEU 97 N 1.20 3.54 -0.16 4.42 1.43 -0.07 -0.96 118.68 128.08 2dg3 s LEU 97 Ca 0.43 -0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.52 2dg3 s LEU 97 Cb -0.19 -2.09 0.01 0.00 0.03 0.00 0.00 46.19 43.96 2dg3 s LEU 97 CO 0.20 0.26 -0.20 -0.69 0.23 0.00 0.00 176.35 176.14 2dg3 s VAL 98 N -1.15 2.11 -0.08 -1.59 1.01 0.35 -0.22 120.40 120.83 2dg3 s VAL 98 Ca 0.21 -0.94 0.04 0.00 0.00 0.00 0.00 61.98 61.29 2dg3 s VAL 98 Cb -0.12 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.39 2dg3 s VAL 98 CO 0.12 0.54 -0.22 -0.36 0.00 0.00 0.00 175.10 175.19 2dg3 s PHE 99 N 1.06 2.56 -0.45 5.22 0.40 -0.09 -0.78 117.98 125.89 2dg3 s PHE 99 Ca -0.01 -0.75 -0.18 0.00 -0.60 0.00 0.00 56.93 55.39 2dg3 s PHE 99 Cb -0.14 -1.67 0.04 0.00 0.51 0.00 0.00 43.02 41.75 2dg3 s PHE 99 CO -0.07 -0.24 0.51 0.34 0.70 0.00 0.00 175.22 176.46 2dg3 s ASP 100 N 0.01 6.22 -0.12 1.36 -1.08 0.07 -0.26 116.67 122.86 2dg3 s ASP 100 Ca -0.08 -0.74 0.03 0.00 -0.52 0.00 0.00 52.55 51.24 2dg3 s ASP 100 Cb -0.15 -2.25 0.00 0.00 -1.46 0.00 0.00 42.92 39.06 2dg3 s ASP 100 CO 0.05 -0.69 -0.21 -0.69 0.52 0.00 0.00 175.17 174.15 2dg3 s VAL 101 N 2.31 2.23 -0.19 1.11 1.01 -0.43 -1.46 120.40 124.98 2dg3 s VAL 101 Ca 0.14 -0.94 -0.02 0.00 0.00 0.00 0.00 61.98 61.15 2dg3 s VAL 101 Cb -0.18 -1.88 -0.01 0.00 0.00 0.00 0.00 36.38 34.31 2dg3 s VAL 101 CO 0.13 0.55 -0.08 -0.70 0.00 0.00 0.00 175.10 175.00 2dg3 s GLU 102 N 0.57 3.37 -0.60 2.72 2.12 0.03 -0.72 118.70 126.19 2dg3 s GLU 102 Ca -0.12 -0.65 -0.24 0.00 0.36 0.00 0.00 54.97 54.32 2dg3 s GLU 102 Cb -0.17 -2.85 0.05 0.00 0.26 0.00 0.00 34.13 31.42 2dg3 s GLU 102 CO 0.04 -0.05 0.96 -1.17 -0.54 0.00 0.00 175.26 174.50 2dg3 s LEU 103 N 1.06 4.16 -0.10 2.70 2.96 0.22 -1.89 118.68 127.78 2dg3 s LEU 103 Ca 0.00 -0.58 -0.25 0.00 -0.22 0.00 0.00 54.13 53.08 2dg3 s LEU 103 Cb -0.15 -2.67 -0.28 0.00 0.50 0.00 0.00 46.19 43.59 2dg3 s LEU 103 CO -0.01 -1.33 0.80 -0.07 -1.32 0.00 0.00 176.35 174.42 2dg3 h LEU 104 N 11.20 0.25 -7.77 -0.68 3.38 -1.11 0.17 115.31 120.74 2dg3 h LEU 104 Ca -0.27 -0.96 0.11 0.00 0.09 0.00 0.00 57.88 56.86 2dg3 h LEU 104 Cb 1.07 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.67 2dg3 h LEU 104 CO 1.13 1.24 0.35 -1.59 0.09 0.00 0.00 178.44 179.65 2dg3 s LYS 105 N -2.34 1.48 -0.04 1.13 -2.85 -1.16 -4.49 119.74 111.47 2dg3 s LYS 105 Ca -0.17 -0.80 0.06 0.00 -1.00 0.00 0.00 55.97 54.07 2dg3 s LYS 105 Cb -0.01 0.52 -0.02 0.00 -2.06 0.00 0.00 37.83 36.26 2dg3 s LYS 105 CO 0.76 -0.67 -0.22 -0.51 0.10 0.00 0.00 175.35 174.80 2dg3 s LEU 106 N -2.90 2.26 0.00 2.77 1.43 -1.26 -1.49 118.68 119.49 2dg3 s LEU 106 Ca 0.11 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.81 2dg3 s LEU 106 Cb -0.04 -1.41 0.00 0.00 0.03 0.00 0.00 46.19 44.77 2dg3 s LEU 106 CO 0.03 0.31 0.00 -1.84 0.23 0.00 0.00 176.35 175.09