#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dg4 s VAL 2 N 0.00 0.77 -0.16 1.61 0.11 -1.26 -0.94 120.40 120.52 2dg4 s VAL 2 Ca 0.00 -0.22 -0.08 0.00 -2.93 0.00 0.00 61.98 58.75 2dg4 s VAL 2 Cb 0.00 -0.78 -0.04 0.00 -1.53 0.00 0.00 36.38 34.03 2dg4 s VAL 2 CO 0.00 0.29 0.10 -1.58 -3.33 0.00 0.00 175.10 170.58 2dg4 s GLN 3 N 1.11 3.83 -0.20 1.54 0.74 -0.05 -4.95 119.66 121.67 2dg4 s GLN 3 Ca -0.07 -0.25 -0.01 0.00 0.05 0.00 0.00 55.36 55.08 2dg4 s GLN 3 Cb -0.14 -3.25 0.01 0.00 1.10 0.00 0.00 33.01 30.73 2dg4 s GLN 3 CO -0.01 0.45 -0.13 0.08 -0.55 0.00 0.00 175.29 175.13 2dg4 s VAL 4 N -0.10 2.59 -0.18 1.34 1.01 -1.26 -0.81 120.40 122.99 2dg4 s VAL 4 Ca 0.09 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.27 2dg4 s VAL 4 Cb -0.12 -2.16 0.01 0.00 0.00 0.00 0.00 36.38 34.12 2dg4 s VAL 4 CO 0.01 0.46 -0.17 -1.61 0.00 0.00 0.00 175.10 173.78 2dg4 s GLU 5 N 1.36 3.06 0.11 2.72 2.02 -0.13 -4.97 118.70 122.87 2dg4 s GLU 5 Ca 0.05 -0.79 -0.31 0.00 0.02 0.00 0.00 54.97 53.93 2dg4 s GLU 5 Cb -0.14 -2.64 -0.08 0.00 0.10 0.00 0.00 34.13 31.38 2dg4 s GLU 5 CO -0.09 -0.19 1.36 0.99 0.02 0.00 0.00 175.26 177.35 2dg4 s THR 6 N 1.28 3.41 -0.23 3.63 2.01 -1.26 0.19 115.64 124.67 2dg4 s THR 6 Ca 0.04 1.01 -0.11 0.00 0.31 0.00 0.00 61.69 62.94 2dg4 s THR 6 Cb -0.13 -3.65 -0.18 0.00 0.01 0.00 0.00 72.50 68.55 2dg4 s THR 6 CO -0.10 0.08 -0.04 -0.38 -0.69 0.00 0.00 174.62 173.49 2dg4 n ILE 7 N 3.94 1.57 -3.90 1.82 5.41 0.12 -4.86 119.36 123.46 2dg4 n ILE 7 Ca 0.11 -0.38 -0.15 0.00 1.00 0.00 0.00 62.75 63.33 2dg4 n ILE 7 Cb 0.43 -1.80 -0.15 0.00 -0.71 0.00 0.00 39.64 37.41 2dg4 n ILE 7 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 2dg4 s SER 8 N -7.03 0.26 0.54 4.38 0.01 -0.38 -4.96 113.70 106.51 2dg4 s SER 8 Ca -0.32 -0.01 -0.20 0.00 1.31 0.00 0.00 55.95 56.73 2dg4 s SER 8 Cb 0.10 -0.12 -0.06 0.00 0.21 0.00 0.00 66.02 66.15 2dg4 s SER 8 CO 0.59 -0.07 1.15 -2.16 0.41 0.00 0.00 173.24 173.17 2dg4 s PRO 9 N 0.67 3.35 0.00 12.44 0.04 -1.26 -0.71 135.00 149.53 2dg4 s PRO 9 Ca -0.06 1.67 0.00 0.00 0.04 0.00 0.00 61.00 62.65 2dg4 s PRO 9 Cb -0.09 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.40 2dg4 s PRO 9 CO -0.01 -0.87 0.00 0.41 0.04 0.00 0.00 177.00 176.57 2dg4 n GLY 10 N 0.25 0.30 0.11 0.56 0.00 -1.26 -4.20 105.19 100.95 2dg4 n GLY 10 Ca 0.11 -1.84 0.12 0.00 0.00 0.00 0.00 46.02 44.41 2dg4 n GLY 10 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2dg4 n ASP 11 N -1.58 0.64 -0.19 1.61 5.68 -0.85 -4.86 116.55 117.00 2dg4 n ASP 11 Ca 0.00 0.63 -0.03 0.00 -0.50 0.00 0.00 54.79 54.89 2dg4 n ASP 11 Cb 0.00 -0.77 -0.01 0.00 -1.14 0.00 0.00 41.12 39.20 2dg4 n ASP 11 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2dg4 n GLY 12 N 0.39 0.51 0.42 6.12 0.00 -1.26 -4.79 105.19 106.58 2dg4 n GLY 12 Ca 0.03 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2dg4 n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dg4 n ARG 13 N -1.71 0.00 -3.23 1.61 1.74 -1.26 -5.02 116.66 108.79 2dg4 n ARG 13 Ca -0.03 0.00 -0.46 0.00 -0.77 0.00 0.00 57.85 56.60 2dg4 n ARG 13 Cb 0.23 -0.63 -0.05 0.00 -1.02 0.00 0.00 32.46 31.00 2dg4 n ARG 13 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2dg4 s THR 14 N -1.67 5.08 0.18 0.55 2.01 -1.26 -5.04 115.64 115.49 2dg4 s THR 14 Ca 0.00 -1.36 0.06 0.00 0.31 0.00 0.00 61.69 60.70 2dg4 s THR 14 Cb 0.00 -4.41 -0.04 0.00 0.01 0.00 0.00 72.50 68.06 2dg4 s THR 14 CO 0.00 -0.98 0.08 -0.36 -0.69 0.00 0.00 174.62 172.67 2dg4 s PHE 15 N 1.95 3.00 0.29 4.92 0.40 -1.26 -1.10 117.98 126.18 2dg4 s PHE 15 Ca 0.07 -0.09 -0.30 0.00 -0.60 0.00 0.00 56.93 56.02 2dg4 s PHE 15 Cb -0.27 -1.43 -0.11 0.00 0.51 0.00 0.00 43.02 41.73 2dg4 s PHE 15 CO 0.03 0.53 1.56 -2.14 0.70 0.00 0.00 175.22 175.90 2dg4 s PRO 16 N -3.16 4.15 0.40 0.24 0.02 -1.26 -5.02 135.00 130.37 2dg4 s PRO 16 Ca 0.30 2.53 0.00 0.00 0.02 0.00 0.00 61.00 63.85 2dg4 s PRO 16 Cb -0.09 -3.04 -0.02 0.00 0.02 0.00 0.00 34.50 31.37 2dg4 s PRO 16 CO 0.21 -0.59 0.62 0.15 -0.33 0.00 0.00 177.00 177.06 2dg4 s LYS 17 N -0.54 3.27 0.18 5.54 -0.14 -1.26 -5.01 119.74 121.79 2dg4 s LYS 17 Ca 0.62 -0.41 -0.32 0.00 -1.36 0.00 0.00 55.97 54.51 2dg4 s LYS 17 Cb -0.47 -2.60 -0.11 0.00 -1.68 0.00 0.00 37.83 32.97 2dg4 s LYS 17 CO 0.48 -0.07 1.70 1.03 -0.76 0.00 0.00 175.35 177.72 2dg4 s ARG 18 N -4.45 4.15 0.00 1.68 1.81 -1.26 -2.17 118.95 118.71 2dg4 s ARG 18 Ca 0.44 2.53 0.00 0.00 -1.72 0.00 0.00 55.73 56.98 2dg4 s ARG 18 Cb -0.10 -3.21 0.00 0.00 -0.45 0.00 0.00 34.95 31.19 2dg4 s ARG 18 CO 0.37 -0.73 0.00 0.41 -0.68 0.00 0.00 175.30 174.67 2dg4 n GLY 19 N 3.96 0.64 3.86 -3.53 0.00 -1.23 -5.03 105.19 103.85 2dg4 n GLY 19 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 2dg4 n GLY 19 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2dg4 s GLN 20 N -0.08 3.87 -0.27 1.61 0.74 -0.92 -4.70 119.66 119.91 2dg4 s GLN 20 Ca 0.00 0.77 -0.16 0.00 0.05 0.00 0.00 55.36 56.02 2dg4 s GLN 20 Cb 0.00 -2.22 -0.03 0.00 1.10 0.00 0.00 33.01 31.86 2dg4 s GLN 20 CO 0.00 -0.21 0.43 0.99 -0.55 0.00 0.00 175.29 175.95 2dg4 s THR 21 N -2.57 5.13 -0.19 -0.34 2.01 0.43 -2.24 115.64 117.87 2dg4 s THR 21 Ca 0.56 0.64 -0.13 0.00 0.31 0.00 0.00 61.69 63.07 2dg4 s THR 21 Cb -0.10 -3.76 -0.05 0.00 0.01 0.00 0.00 72.50 68.60 2dg4 s THR 21 CO 0.33 0.10 0.29 0.00 -0.69 0.00 0.00 174.62 174.64 2dg4 s VAL 23 N 0.79 4.32 0.14 0.00 1.01 -0.38 -2.20 120.40 124.06 2dg4 s VAL 23 Ca 0.15 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 61.80 2dg4 s VAL 23 Cb -0.13 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 2dg4 s VAL 23 CO 0.05 0.19 -0.11 0.68 0.00 0.00 0.00 175.10 175.91 2dg4 s VAL 24 N 1.59 1.19 -0.10 2.92 -7.23 0.16 -0.66 120.40 118.27 2dg4 s VAL 24 Ca 0.05 -1.97 -0.01 0.00 -1.81 0.00 0.00 61.98 58.24 2dg4 s VAL 24 Cb -0.16 -1.75 -0.03 0.00 0.56 0.00 0.00 36.38 35.00 2dg4 s VAL 24 CO 0.04 -0.67 -0.03 -1.00 -0.31 0.00 0.00 175.10 173.12 2dg4 s HIS 25 N -3.04 3.04 0.02 2.82 3.76 -0.72 0.00 115.29 121.18 2dg4 s HIS 25 Ca 0.14 0.01 -0.02 0.00 -0.15 0.00 0.00 55.06 55.04 2dg4 s HIS 25 Cb 0.01 -1.80 -0.02 0.00 1.11 0.00 0.00 32.58 31.88 2dg4 s HIS 25 CO 0.01 0.29 0.01 1.52 -0.85 0.00 0.00 174.74 175.72 2dg4 s TYR 26 N -0.54 0.26 -0.06 1.40 1.13 -1.26 -0.87 117.35 117.41 2dg4 s TYR 26 Ca 0.09 -0.55 0.03 0.00 -1.41 0.00 0.00 57.07 55.22 2dg4 s TYR 26 Cb -0.12 -0.19 0.01 0.00 -1.10 0.00 0.00 41.96 40.56 2dg4 s TYR 26 CO 0.02 -0.25 -0.13 0.99 -2.51 0.00 0.00 175.55 173.67 2dg4 s THR 27 N -1.93 1.18 -0.06 -3.49 2.01 -0.40 -0.65 115.64 112.30 2dg4 s THR 27 Ca -0.11 -0.52 0.04 0.00 0.31 0.00 0.00 61.69 61.41 2dg4 s THR 27 Cb -0.06 -1.06 -0.02 0.00 0.01 0.00 0.00 72.50 71.36 2dg4 s THR 27 CO -0.02 0.36 -0.18 -0.83 -0.69 0.00 0.00 174.62 173.26 2dg4 s GLY 28 N 0.54 1.45 0.02 4.40 0.00 0.11 -0.59 107.32 113.25 2dg4 s GLY 28 Ca -0.13 -1.00 -0.05 0.00 0.00 0.00 0.00 44.72 43.55 2dg4 s GLY 28 CO 0.04 -0.66 0.08 -3.16 0.00 0.00 0.00 173.10 169.40 2dg4 s MET 29 N -0.40 0.49 0.38 2.90 0.23 0.01 -1.13 119.30 121.79 2dg4 s MET 29 Ca 0.04 -0.60 -0.26 0.00 -1.03 0.00 0.00 55.69 53.84 2dg4 s MET 29 Cb -0.12 0.20 -0.09 0.00 -1.53 0.00 0.00 34.83 33.28 2dg4 s MET 29 CO 0.02 -0.11 1.23 -0.51 -2.03 0.00 0.00 175.02 173.62 2dg4 s LEU 30 N -1.73 4.27 -0.10 0.18 1.43 -0.28 -0.77 118.68 121.69 2dg4 s LEU 30 Ca -0.11 2.51 -0.36 0.00 -1.03 0.00 0.00 54.13 55.14 2dg4 s LEU 30 Cb -0.05 -3.88 -0.13 0.00 0.03 0.00 0.00 46.19 42.15 2dg4 s LEU 30 CO -0.02 -0.67 1.79 1.21 0.23 0.00 0.00 176.35 178.90 2dg4 n GLU 31 N 0.31 1.89 -3.49 1.70 2.13 -0.66 -0.49 120.64 122.02 2dg4 n GLU 31 Ca 0.03 0.69 -0.26 0.00 0.66 0.00 0.00 57.16 58.28 2dg4 n GLU 31 Cb 0.44 -2.48 0.01 0.00 0.27 0.00 0.00 31.44 29.69 2dg4 n GLU 31 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2dg4 n ASP 32 N 5.81 -4.57 0.00 4.31 8.00 -1.26 -4.88 116.55 123.96 2dg4 n ASP 32 Ca 0.23 -0.51 0.00 0.00 0.71 0.00 0.00 54.79 55.22 2dg4 n ASP 32 Cb 0.25 -3.71 0.00 0.00 -0.02 0.00 0.00 41.12 37.64 2dg4 n ASP 32 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dg4 n GLY 33 N -1.42 4.87 3.73 0.44 0.00 0.36 -5.14 105.19 108.03 2dg4 n GLY 33 Ca -0.01 -0.62 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 2dg4 n GLY 33 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dg4 s LYS 34 N 4.70 4.45 -0.26 1.61 2.20 -1.26 -4.61 119.74 126.57 2dg4 s LYS 34 Ca 0.00 1.88 -0.29 0.00 -0.36 0.00 0.00 55.97 57.20 2dg4 s LYS 34 Cb 0.00 -3.26 0.01 0.00 -1.51 0.00 0.00 37.83 33.07 2dg4 s LYS 34 CO 0.00 -0.17 1.10 0.15 -0.36 0.00 0.00 175.35 176.08 2dg4 s LYS 35 N 0.18 4.15 0.01 4.03 3.01 -1.26 -1.12 119.74 128.74 2dg4 s LYS 35 Ca 0.55 1.28 0.22 0.00 -1.01 0.00 0.00 55.97 57.01 2dg4 s LYS 35 Cb -0.33 -3.71 -0.28 0.00 -1.01 0.00 0.00 37.83 32.50 2dg4 s LYS 35 CO 0.34 -0.79 0.59 1.97 0.51 0.00 0.00 175.35 177.97 2dg4 n PHE 36 N 6.69 0.17 -3.55 3.18 1.16 -0.28 -4.97 117.46 119.85 2dg4 n PHE 36 Ca 0.12 0.05 -0.17 0.00 -1.87 0.00 0.00 57.45 55.59 2dg4 n PHE 36 Cb 0.46 -0.57 -0.06 0.00 -1.61 0.00 0.00 39.48 37.70 2dg4 n PHE 36 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 2dg4 s ASP 37 N -4.63 -0.66 -0.18 5.98 2.15 -1.15 -5.01 116.67 113.16 2dg4 s ASP 37 Ca -0.06 0.87 -0.08 0.00 0.43 0.00 0.00 52.55 53.70 2dg4 s ASP 37 Cb 0.13 0.74 0.07 0.00 -0.30 0.00 0.00 42.92 43.57 2dg4 s ASP 37 CO 0.89 -0.51 0.41 -0.94 -0.17 0.00 0.00 175.17 174.85 2dg4 s SER 38 N -0.81 -0.38 0.39 -0.34 1.04 -1.26 0.05 113.70 112.40 2dg4 s SER 38 Ca -0.08 0.93 0.24 0.00 0.48 0.00 0.00 55.95 57.53 2dg4 s SER 38 Cb -0.01 1.03 0.52 0.00 0.10 0.00 0.00 66.02 67.66 2dg4 s SER 38 CO 0.07 -0.21 1.67 0.77 0.98 0.00 0.00 173.24 176.52 2dg4 h SER 39 N 7.62 0.00 0.50 7.02 4.64 -1.19 -3.30 113.55 128.85 2dg4 h SER 39 Ca -0.27 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.93 2dg4 h SER 39 Cb 1.15 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.22 2dg4 h SER 39 CO 0.21 0.00 -0.57 0.03 -0.87 0.00 0.00 176.83 175.63 2dg4 h ARG 40 N 0.00 0.07 -0.29 4.77 -0.00 -1.84 -2.78 114.38 114.31 2dg4 h ARG 40 Ca 0.00 -0.04 -0.06 0.00 -0.50 0.00 0.00 59.98 59.38 2dg4 h ARG 40 Cb 0.90 0.01 -0.01 0.00 0.00 0.00 0.00 29.97 30.86 2dg4 h ARG 40 CO 0.00 0.62 -0.04 0.38 0.00 0.00 0.00 179.97 180.93 2dg4 h ASP 41 N 0.05 0.53 0.29 7.04 2.03 -1.91 -2.79 116.42 121.66 2dg4 h ASP 41 Ca -0.00 -0.34 0.00 0.00 -0.73 0.00 0.00 57.03 55.96 2dg4 h ASP 41 Cb 1.02 -0.14 0.00 0.00 -0.83 0.00 0.00 39.33 39.38 2dg4 h ASP 41 CO 0.08 0.74 -0.03 -2.11 -1.03 0.00 0.00 179.24 176.89 2dg4 n ARG 42 N -4.54 0.76 -3.45 4.15 -4.01 -1.24 -4.93 116.66 103.40 2dg4 n ARG 42 Ca -0.03 -0.13 -0.24 0.00 -1.04 0.00 0.00 57.85 56.41 2dg4 n ARG 42 Cb 0.29 -1.50 0.06 0.00 -3.04 0.00 0.00 32.46 28.27 2dg4 n ARG 42 CO 0.00 0.00 0.00 -1.71 -3.04 0.00 0.00 177.63 172.88 2dg4 n ASN 43 N -1.01 -6.07 -3.79 2.89 5.15 -1.05 -5.00 115.26 106.38 2dg4 n ASN 43 Ca 0.18 -0.48 -0.26 0.00 -0.60 0.00 0.00 54.58 53.41 2dg4 n ASN 43 Cb 0.22 -4.83 -0.17 0.00 -0.53 0.00 0.00 39.78 34.47 2dg4 n ASN 43 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2dg4 s LYS 44 N -6.16 0.83 0.65 1.20 3.01 -1.07 -5.06 119.74 113.15 2dg4 s LYS 44 Ca 0.51 -0.22 -0.17 0.00 -1.01 0.00 0.00 55.97 55.08 2dg4 s LYS 44 Cb -0.23 -1.61 -0.00 0.00 -1.01 0.00 0.00 37.83 34.97 2dg4 s LYS 44 CO 0.63 -0.45 1.19 -1.25 0.51 0.00 0.00 175.35 175.98 2dg4 s PRO 45 N 1.86 2.65 -0.11 -1.68 0.04 -1.26 -4.69 135.00 131.81 2dg4 s PRO 45 Ca 0.02 1.73 -0.12 0.00 0.04 0.00 0.00 61.00 62.67 2dg4 s PRO 45 Cb -0.15 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 2dg4 s PRO 45 CO -0.07 -1.43 0.27 0.12 0.04 0.00 0.00 177.00 175.93 2dg4 s PHE 46 N -1.86 3.56 -0.05 0.56 5.36 0.10 -4.90 117.98 120.75 2dg4 s PHE 46 Ca 0.74 0.66 0.06 0.00 -0.96 0.00 0.00 56.93 57.44 2dg4 s PHE 46 Cb -0.28 -2.21 -0.01 0.00 -0.34 0.00 0.00 43.02 40.18 2dg4 s PHE 46 CO 0.39 0.48 -0.25 0.15 -1.46 0.00 0.00 175.22 174.53 2dg4 s LYS 47 N -0.35 2.48 0.04 10.12 1.02 -1.26 -0.66 119.74 131.13 2dg4 s LYS 47 Ca 0.17 -0.91 -0.16 0.00 0.02 0.00 0.00 55.97 55.10 2dg4 s LYS 47 Cb -0.14 -2.14 0.03 0.00 -0.52 0.00 0.00 37.83 35.06 2dg4 s LYS 47 CO 0.06 0.41 0.35 -0.59 -0.92 0.00 0.00 175.35 174.65 2dg4 s PHE 48 N -0.23 -0.17 -0.15 3.18 -0.71 -0.94 -5.00 117.98 113.96 2dg4 s PHE 48 Ca -0.02 0.09 -0.05 0.00 -1.04 0.00 0.00 56.93 55.91 2dg4 s PHE 48 Cb -0.13 0.14 -0.03 0.00 -1.21 0.00 0.00 43.02 41.79 2dg4 s PHE 48 CO 0.03 -0.52 0.01 1.41 -1.34 0.00 0.00 175.22 174.80 2dg4 s MET 49 N -2.46 3.68 0.70 1.99 1.75 -1.26 -0.44 119.30 123.27 2dg4 s MET 49 Ca -0.06 -0.43 -0.14 0.00 -1.25 0.00 0.00 55.69 53.81 2dg4 s MET 49 Cb -0.01 -3.01 0.02 0.00 2.84 0.00 0.00 34.83 34.67 2dg4 s MET 49 CO -0.03 0.33 1.13 -0.51 -0.65 0.00 0.00 175.02 175.30 2dg4 s LEU 50 N 0.15 3.29 -0.38 4.11 1.43 -0.95 -3.77 118.68 122.56 2dg4 s LEU 50 Ca 0.01 2.07 0.00 0.00 -1.03 0.00 0.00 54.13 55.18 2dg4 s LEU 50 Cb -0.13 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.53 2dg4 s LEU 50 CO 0.02 -1.91 0.00 0.61 0.23 0.00 0.00 176.35 175.30 2dg4 n GLY 51 N -0.37 0.62 0.18 -3.19 0.00 -1.26 -3.58 105.19 97.60 2dg4 n GLY 51 Ca 0.11 -0.32 0.02 0.00 0.00 0.00 0.00 46.02 45.82 2dg4 n GLY 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dg4 n LYS 52 N -2.10 1.99 -4.01 1.61 4.76 -1.25 -4.99 118.16 114.16 2dg4 n LYS 52 Ca -0.04 -1.40 -0.32 0.00 -2.87 0.00 0.00 58.31 53.68 2dg4 n LYS 52 Cb 0.22 -1.08 0.01 0.00 -1.84 0.00 0.00 35.03 32.34 2dg4 n LYS 52 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 2dg4 n GLN 53 N -0.08 -4.69 0.05 1.97 3.00 -1.26 -4.88 117.38 111.49 2dg4 n GLN 53 Ca 0.03 0.52 -0.10 0.00 -0.01 0.00 0.00 57.00 57.44 2dg4 n GLN 53 Cb 0.24 -5.33 -0.13 0.00 0.00 0.00 0.00 30.24 25.03 2dg4 n GLN 53 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 2dg4 h GLU 54 N -1.89 0.08 -5.45 -1.09 5.08 -1.95 -3.47 114.58 105.89 2dg4 h GLU 54 Ca -0.59 -0.14 -0.48 0.00 -1.00 0.00 0.00 59.36 57.16 2dg4 h GLU 54 Cb 1.38 0.05 -0.14 0.00 0.50 0.00 0.00 28.75 30.54 2dg4 h GLU 54 CO 0.70 0.96 -0.67 0.14 -1.00 0.00 0.00 179.01 179.14 2dg4 s VAL 55 N -2.67 1.56 0.57 3.13 -7.23 -1.26 -5.12 120.40 109.39 2dg4 s VAL 55 Ca -0.02 -2.11 -0.20 0.00 -1.81 0.00 0.00 61.98 57.83 2dg4 s VAL 55 Cb 0.09 -2.43 -0.05 0.00 0.56 0.00 0.00 36.38 34.55 2dg4 s VAL 55 CO 0.84 -0.31 1.16 2.30 -0.31 0.00 0.00 175.10 178.78 2dg4 n ILE 56 N -0.56 3.83 -0.19 -0.62 -5.35 -1.26 -4.74 119.36 110.47 2dg4 n ILE 56 Ca -0.05 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 61.93 2dg4 n ILE 56 Cb 0.63 -1.39 0.10 0.00 -1.74 0.00 0.00 39.64 37.24 2dg4 n ILE 56 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 2dg4 h ARG 57 N 0.94 0.29 -0.25 6.28 2.43 -1.79 -1.48 114.38 120.80 2dg4 h ARG 57 Ca -0.49 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 58.64 2dg4 h ARG 57 Cb 1.34 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.81 2dg4 h ARG 57 CO 0.54 0.19 0.07 0.78 -1.51 0.00 0.00 179.97 180.04 2dg4 h GLY 58 N 0.30 0.38 0.51 2.80 0.00 -1.10 -0.58 103.07 105.36 2dg4 h GLY 58 Ca 0.30 -0.17 -0.04 0.00 0.00 0.00 0.00 47.33 47.42 2dg4 h GLY 58 CO -0.36 0.17 -0.12 -2.75 0.00 0.00 0.00 176.54 173.48 2dg4 h PHE 59 N 0.35 0.19 -0.07 5.60 3.57 -1.52 -1.16 116.94 123.90 2dg4 h PHE 59 Ca 0.09 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2dg4 h PHE 59 Cb 0.13 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 2dg4 h PHE 59 CO 0.00 0.74 0.04 1.49 -2.23 0.00 0.00 178.31 178.35 2dg4 h GLU 60 N -0.42 0.08 0.00 1.11 4.81 -1.23 -1.06 114.58 117.87 2dg4 h GLU 60 Ca -0.00 -0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.13 2dg4 h GLU 60 Cb 0.75 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 2dg4 h GLU 60 CO 0.03 0.05 -0.44 0.93 -0.73 0.00 0.00 179.01 178.85 2dg4 h GLU 61 N 0.08 0.00 0.09 1.92 5.08 -1.19 -0.20 114.58 120.35 2dg4 h GLU 61 Ca 0.03 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2dg4 h GLU 61 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2dg4 h GLU 61 CO -0.02 0.44 -0.04 0.78 -1.00 0.00 0.00 179.01 179.17 2dg4 h GLY 62 N 1.39 -0.12 1.24 -3.84 0.00 -0.99 -3.08 103.07 97.66 2dg4 h GLY 62 Ca -0.00 0.05 -0.07 0.00 0.00 0.00 0.00 47.33 47.30 2dg4 h GLY 62 CO 0.06 -0.04 0.05 -2.08 0.00 0.00 0.00 176.54 174.52 2dg4 h VAL 63 N -0.38 1.25 0.00 4.60 2.07 -1.02 -2.99 116.25 119.78 2dg4 h VAL 63 Ca -0.01 -1.01 -0.01 0.00 0.82 0.00 0.00 66.70 66.49 2dg4 h VAL 63 Cb 0.33 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2dg4 h VAL 63 CO 0.02 0.37 -0.04 0.00 0.02 0.00 0.00 177.57 177.93 2dg4 h ALA 64 N 1.18 1.62 -0.65 1.67 0.00 -1.05 -1.78 119.26 120.25 2dg4 h ALA 64 Ca 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2dg4 h ALA 64 Cb 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2dg4 h ALA 64 CO 0.02 0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.32 2dg4 n GLN 65 N -4.05 2.54 -4.06 0.00 10.64 -1.13 -4.42 117.38 116.90 2dg4 n GLN 65 Ca -0.03 -2.39 -0.33 0.00 -1.83 0.00 0.00 57.00 52.43 2dg4 n GLN 65 Cb 0.13 -1.52 -0.07 0.00 -0.86 0.00 0.00 30.24 27.93 2dg4 n GLN 65 CO 0.00 0.00 0.00 -1.64 -1.83 0.00 0.00 177.06 173.59 2dg4 s MET 66 N -1.13 3.12 0.24 2.61 -1.94 -0.67 -5.10 119.30 116.41 2dg4 s MET 66 Ca 0.44 -0.47 0.04 0.00 -1.71 0.00 0.00 55.69 53.98 2dg4 s MET 66 Cb 0.23 -2.89 -0.03 0.00 2.01 0.00 0.00 34.83 34.15 2dg4 s MET 66 CO 0.30 0.64 0.38 -1.54 -0.01 0.00 0.00 175.02 174.80 2dg4 s SER 67 N -1.83 6.32 0.16 3.03 1.04 -1.26 -4.25 113.70 116.91 2dg4 s SER 67 Ca 0.24 0.16 -0.34 0.00 0.48 0.00 0.00 55.95 56.50 2dg4 s SER 67 Cb -0.12 -1.90 -0.14 0.00 0.10 0.00 0.00 66.02 63.96 2dg4 s SER 67 CO 0.16 -0.08 1.55 0.52 0.98 0.00 0.00 173.24 176.37 2dg4 n VAL 68 N -1.27 0.07 0.00 5.02 0.31 -0.26 -1.38 118.33 120.82 2dg4 n VAL 68 Ca -0.08 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 2dg4 n VAL 68 Cb 0.56 -1.50 0.00 0.00 -0.91 0.00 0.00 33.84 32.00 2dg4 n VAL 68 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2dg4 n GLY 69 N 3.27 1.40 3.76 2.92 0.00 0.37 -2.01 105.19 114.89 2dg4 n GLY 69 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2dg4 n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2dg4 s GLN 70 N -0.76 4.53 -0.06 1.61 0.74 -0.48 -4.43 119.66 120.81 2dg4 s GLN 70 Ca 0.00 1.94 0.06 0.00 0.05 0.00 0.00 55.36 57.41 2dg4 s GLN 70 Cb 0.00 -3.16 -0.01 0.00 1.10 0.00 0.00 33.01 30.94 2dg4 s GLN 70 CO 0.00 0.04 -0.24 0.50 -0.55 0.00 0.00 175.29 175.04 2dg4 s ARG 71 N -1.35 2.64 0.02 1.67 3.52 0.11 -0.90 118.95 124.66 2dg4 s ARG 71 Ca 0.47 -0.89 -0.09 0.00 -0.13 0.00 0.00 55.73 55.08 2dg4 s ARG 71 Cb -0.34 -2.20 0.01 0.00 -1.56 0.00 0.00 34.95 30.86 2dg4 s ARG 71 CO 0.44 0.35 0.19 0.00 -0.81 0.00 0.00 175.30 175.47 2dg4 s ALA 72 N -0.09 -0.40 -0.31 6.12 0.00 0.56 0.14 121.76 127.79 2dg4 s ALA 72 Ca -0.06 -0.17 -0.20 0.00 0.00 0.00 0.00 51.96 51.54 2dg4 s ALA 72 Cb -0.14 0.20 -0.01 0.00 0.00 0.00 0.00 23.12 23.17 2dg4 s ALA 72 CO 0.04 -0.30 0.61 0.21 0.00 0.00 0.00 175.76 176.32 2dg4 s LYS 73 N -2.06 3.87 -0.32 0.00 2.20 0.13 -1.19 119.74 122.38 2dg4 s LYS 73 Ca -0.09 0.24 -0.11 0.00 -0.36 0.00 0.00 55.97 55.65 2dg4 s LYS 73 Cb -0.04 -3.73 -0.01 0.00 -1.51 0.00 0.00 37.83 32.54 2dg4 s LYS 73 CO -0.01 -0.57 0.18 -0.51 -0.36 0.00 0.00 175.35 174.08 2dg4 s LEU 74 N 2.56 4.26 -0.35 5.43 1.02 0.12 -0.96 118.68 130.76 2dg4 s LEU 74 Ca 0.24 -0.53 -0.13 0.00 0.02 0.00 0.00 54.13 53.73 2dg4 s LEU 74 Cb -0.15 -2.04 -0.00 0.00 0.02 0.00 0.00 46.19 44.02 2dg4 s LEU 74 CO 0.12 -0.22 0.24 -0.89 0.02 0.00 0.00 176.35 175.62 2dg4 s THR 75 N 1.64 5.11 -0.23 5.49 2.01 0.01 -0.68 115.64 128.98 2dg4 s THR 75 Ca 0.05 -0.41 -0.04 0.00 0.31 0.00 0.00 61.69 61.60 2dg4 s THR 75 Cb -0.17 -3.69 -0.00 0.00 0.01 0.00 0.00 72.50 68.64 2dg4 s THR 75 CO 0.07 -0.09 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.26 2dg4 s ILE 76 N 1.68 3.39 0.72 1.82 1.01 0.70 -0.87 121.20 129.65 2dg4 s ILE 76 Ca 0.05 -0.57 -0.15 0.00 0.00 0.00 0.00 60.65 59.98 2dg4 s ILE 76 Cb -0.18 -2.59 0.03 0.00 0.01 0.00 0.00 42.46 39.74 2dg4 s ILE 76 CO 0.09 0.36 1.17 -0.94 0.00 0.00 0.00 174.94 175.62 2dg4 s SER 77 N 1.47 4.42 0.30 3.58 1.04 -0.12 -1.22 113.70 123.17 2dg4 s SER 77 Ca 0.05 2.21 0.05 0.00 0.48 0.00 0.00 55.95 58.74 2dg4 s SER 77 Cb -0.15 -2.57 0.72 0.00 0.10 0.00 0.00 66.02 64.12 2dg4 s SER 77 CO -0.03 -2.10 1.78 -0.65 0.98 0.00 0.00 173.24 173.22 2dg4 h PRO 78 N -0.31 0.76 0.00 4.02 0.11 -1.88 -0.84 132.00 133.85 2dg4 h PRO 78 Ca -0.47 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 2dg4 h PRO 78 Cb 1.28 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 2dg4 h PRO 78 CO 0.51 0.50 -0.10 0.22 -0.21 0.00 0.00 178.00 178.92 2dg4 h ASP 79 N 0.78 0.00 -0.35 -2.05 3.58 -1.91 0.16 116.42 116.62 2dg4 h ASP 79 Ca 0.57 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.02 2dg4 h ASP 79 Cb 0.87 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.92 2dg4 h ASP 79 CO -0.38 0.10 0.00 -1.22 -2.88 0.00 0.00 179.24 174.86 2dg4 n TYR 80 N -4.03 0.45 0.00 0.28 4.02 -0.36 -4.78 117.16 112.74 2dg4 n TYR 80 Ca -0.02 -0.23 0.00 0.00 -0.01 0.00 0.00 57.90 57.64 2dg4 n TYR 80 Cb 0.18 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.50 2dg4 n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2dg4 n ALA 81 N 1.30 0.00 0.51 -0.72 0.00 -0.38 -0.44 120.51 120.78 2dg4 n ALA 81 Ca 0.19 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.72 2dg4 n ALA 81 Cb 0.56 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.13 2dg4 n ALA 81 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2dg4 n TYR 82 N 0.00 0.19 -4.73 0.00 4.01 -1.15 -4.72 117.16 110.76 2dg4 n TYR 82 Ca 0.00 -0.13 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 2dg4 n TYR 82 Cb 0.00 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 2dg4 n TYR 82 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2dg4 n GLY 83 N 1.09 1.56 0.23 2.72 0.00 0.41 -1.28 105.19 109.91 2dg4 n GLY 83 Ca 0.13 -0.53 0.11 0.00 0.00 0.00 0.00 46.02 45.73 2dg4 n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dg4 h ALA 84 N -0.95 0.96 0.09 4.61 0.00 -1.94 0.50 119.26 122.54 2dg4 h ALA 84 Ca 0.00 -0.14 -0.29 0.00 0.00 0.00 0.00 54.91 54.49 2dg4 h ALA 84 Cb 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 17.79 2dg4 h ALA 84 CO 0.00 0.19 -1.18 1.15 0.00 0.00 0.00 179.25 179.41 2dg4 h THR 85 N 0.00 1.30 -0.54 0.00 2.02 -1.93 -3.41 112.91 110.34 2dg4 h THR 85 Ca -0.00 -2.44 0.03 0.00 0.77 0.00 0.00 66.41 64.78 2dg4 h THR 85 Cb 0.83 2.61 -0.01 0.00 -1.74 0.00 0.00 68.15 69.84 2dg4 h THR 85 CO 0.02 0.74 -0.04 0.61 0.37 0.00 0.00 175.52 177.22 2dg4 n GLY 86 N 1.29 -1.98 3.24 2.16 0.00 -0.41 -4.39 105.19 105.10 2dg4 n GLY 86 Ca -0.12 -1.38 -0.35 0.00 0.00 0.00 0.00 46.02 44.17 2dg4 n GLY 86 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2dg4 s HIS 87 N -0.49 3.04 -0.38 1.61 2.46 0.30 -4.88 115.29 116.95 2dg4 s HIS 87 Ca 0.00 -1.36 -0.43 0.00 0.47 0.00 0.00 55.06 53.75 2dg4 s HIS 87 Cb 0.00 -2.09 -0.17 0.00 -0.13 0.00 0.00 32.58 30.19 2dg4 s HIS 87 CO 0.00 -0.68 1.77 -2.30 -2.47 0.00 0.00 174.74 171.07 2dg4 n PRO 88 N 4.72 0.64 -0.37 2.88 -0.02 -1.26 -1.05 135.00 140.53 2dg4 n PRO 88 Ca -0.17 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 2dg4 n PRO 88 Cb 0.48 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 2dg4 n PRO 88 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2dg4 n GLY 89 N 4.66 1.73 1.57 -1.23 0.00 -1.26 -4.74 105.19 105.91 2dg4 n GLY 89 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.34 2dg4 n GLY 89 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2dg4 n ILE 90 N -2.00 0.11 -3.93 -0.61 5.41 -0.61 -5.07 119.36 112.67 2dg4 n ILE 90 Ca 0.00 0.04 -0.35 0.00 1.00 0.00 0.00 62.75 63.44 2dg4 n ILE 90 Cb 0.00 -0.94 -0.14 0.00 -0.71 0.00 0.00 39.64 37.85 2dg4 n ILE 90 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 2dg4 s ILE 91 N -2.00 3.55 0.71 1.39 -1.09 -0.22 -4.97 121.20 118.57 2dg4 s ILE 91 Ca 0.00 -0.44 -0.12 0.00 -2.23 0.00 0.00 60.65 57.86 2dg4 s ILE 91 Cb 0.00 -2.62 0.03 0.00 -1.58 0.00 0.00 42.46 38.29 2dg4 s ILE 91 CO 0.00 0.41 1.09 -2.84 -1.23 0.00 0.00 174.94 172.37 2dg4 s PRO 92 N 1.42 2.60 0.35 2.79 0.02 -1.26 -0.53 135.00 140.38 2dg4 s PRO 92 Ca 0.05 1.20 -0.26 0.00 0.02 0.00 0.00 61.00 62.02 2dg4 s PRO 92 Cb -0.14 -1.94 -0.13 0.00 0.02 0.00 0.00 34.50 32.31 2dg4 s PRO 92 CO -0.02 -1.38 0.89 -2.30 -0.33 0.00 0.00 177.00 173.86 2dg4 n PRO 93 N -3.02 1.11 -3.22 5.54 -0.02 -1.26 -3.23 135.00 130.90 2dg4 n PRO 93 Ca 0.09 0.39 -0.22 0.00 -2.02 0.00 0.00 63.50 61.74 2dg4 n PRO 93 Cb 0.53 -1.78 0.05 0.00 -0.02 0.00 0.00 33.50 32.28 2dg4 n PRO 93 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 2dg4 n HIS 94 N -0.21 -2.27 -3.28 6.00 -0.00 0.16 -4.95 115.22 110.68 2dg4 n HIS 94 Ca 0.10 0.69 -0.39 0.00 -0.00 0.00 0.00 57.72 58.13 2dg4 n HIS 94 Cb 0.35 -4.63 -0.07 0.00 -0.00 0.00 0.00 29.99 25.64 2dg4 n HIS 94 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2dg4 s ALA 95 N -3.22 3.54 -0.05 1.57 0.00 -1.20 -4.83 121.76 117.57 2dg4 s ALA 95 Ca 0.40 -0.42 -0.30 0.00 0.00 0.00 0.00 51.96 51.64 2dg4 s ALA 95 Cb -0.18 -2.76 -0.02 0.00 0.00 0.00 0.00 23.12 20.16 2dg4 s ALA 95 CO 0.50 -0.39 1.00 0.99 0.00 0.00 0.00 175.76 177.86 2dg4 s THR 96 N 1.51 4.80 0.01 0.00 2.01 -1.26 -3.79 115.64 118.92 2dg4 s THR 96 Ca 0.23 2.03 0.03 0.00 0.31 0.00 0.00 61.69 64.29 2dg4 s THR 96 Cb -0.15 -4.30 -0.04 0.00 0.01 0.00 0.00 72.50 68.02 2dg4 s THR 96 CO 0.09 0.08 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.32 2dg4 s LEU 97 N 1.50 3.37 -0.15 4.42 1.43 -0.36 -1.65 118.68 127.24 2dg4 s LEU 97 Ca 0.50 -0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.54 2dg4 s LEU 97 Cb -0.20 -1.96 0.01 0.00 0.03 0.00 0.00 46.19 44.08 2dg4 s LEU 97 CO 0.23 0.27 -0.21 -0.69 0.23 0.00 0.00 176.35 176.18 2dg4 s VAL 98 N -1.08 2.05 -0.10 -1.59 1.01 0.05 -0.22 120.40 120.53 2dg4 s VAL 98 Ca 0.19 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 61.25 2dg4 s VAL 98 Cb -0.11 -1.82 -0.01 0.00 0.00 0.00 0.00 36.38 34.44 2dg4 s VAL 98 CO 0.10 0.54 -0.21 -0.36 0.00 0.00 0.00 175.10 175.18 2dg4 s PHE 99 N 0.98 2.61 -0.43 5.22 0.40 0.14 -0.81 117.98 126.08 2dg4 s PHE 99 Ca -0.03 -0.84 -0.19 0.00 -0.60 0.00 0.00 56.93 55.27 2dg4 s PHE 99 Cb -0.15 -1.72 0.02 0.00 0.51 0.00 0.00 43.02 41.69 2dg4 s PHE 99 CO -0.06 -0.30 0.54 0.34 0.70 0.00 0.00 175.22 176.44 2dg4 s ASP 100 N 0.20 6.26 -0.06 1.36 -1.08 0.24 0.12 116.67 123.69 2dg4 s ASP 100 Ca -0.13 -0.53 0.05 0.00 -0.52 0.00 0.00 52.55 51.43 2dg4 s ASP 100 Cb -0.16 -2.27 -0.01 0.00 -1.46 0.00 0.00 42.92 39.02 2dg4 s ASP 100 CO 0.07 -0.69 -0.23 -0.69 0.52 0.00 0.00 175.17 174.15 2dg4 s VAL 101 N 2.47 1.92 -0.15 1.11 1.01 -0.33 -1.27 120.40 125.16 2dg4 s VAL 101 Ca 0.17 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.19 2dg4 s VAL 101 Cb -0.16 -1.63 0.01 0.00 0.00 0.00 0.00 36.38 34.60 2dg4 s VAL 101 CO 0.16 0.53 -0.20 -0.70 0.00 0.00 0.00 175.10 174.89 2dg4 s GLU 102 N -0.00 3.05 -0.57 2.72 2.12 -0.05 -0.32 118.70 125.65 2dg4 s GLU 102 Ca -0.07 -0.83 -0.25 0.00 0.36 0.00 0.00 54.97 54.18 2dg4 s GLU 102 Cb -0.14 -2.50 0.04 0.00 0.26 0.00 0.00 34.13 31.79 2dg4 s GLU 102 CO 0.04 -0.04 1.02 -1.17 -0.54 0.00 0.00 175.26 174.57 2dg4 s LEU 103 N 0.90 3.93 -0.12 2.70 2.96 -0.08 -1.76 118.68 127.22 2dg4 s LEU 103 Ca -0.05 -0.29 -0.23 0.00 -0.22 0.00 0.00 54.13 53.35 2dg4 s LEU 103 Cb -0.15 -2.87 -0.27 0.00 0.50 0.00 0.00 46.19 43.40 2dg4 s LEU 103 CO -0.03 -1.32 0.67 -0.07 -1.32 0.00 0.00 176.35 174.27 2dg4 h LEU 104 N 11.30 0.22 -7.25 -0.68 3.38 -1.20 0.11 115.31 121.18 2dg4 h LEU 104 Ca -0.26 -0.88 0.05 0.00 0.09 0.00 0.00 57.88 56.89 2dg4 h LEU 104 Cb 1.07 -0.07 -0.11 0.00 0.09 0.00 0.00 40.66 41.64 2dg4 h LEU 104 CO 1.12 1.33 0.32 -1.59 0.09 0.00 0.00 178.44 179.72 2dg4 s LYS 105 N -2.36 1.24 -0.09 1.13 0.00 -1.11 -4.59 119.74 113.96 2dg4 s LYS 105 Ca -0.19 -0.54 0.03 0.00 0.00 0.00 0.00 55.97 55.27 2dg4 s LYS 105 Cb 0.01 0.52 -0.01 0.00 0.00 0.00 0.00 37.83 38.34 2dg4 s LYS 105 CO 0.73 -0.55 -0.18 -0.51 0.00 0.00 0.00 175.35 174.84 2dg4 s LEU 106 N -2.73 2.46 0.00 2.77 1.43 -1.26 -1.25 118.68 120.10 2dg4 s LEU 106 Ca 0.05 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 52.78 2dg4 s LEU 106 Cb -0.02 -1.51 0.00 0.00 0.03 0.00 0.00 46.19 44.69 2dg4 s LEU 106 CO -0.07 0.23 0.00 -1.84 0.23 0.00 0.00 176.35 174.90