#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dy3 s PHE -8 N 0.00 3.33 -0.40 3.69 5.36 -1.26 -5.03 117.98 123.66 3dy3 s PHE -8 Ca 0.00 0.72 -0.11 0.00 -0.96 0.00 0.00 56.93 56.57 3dy3 s PHE -8 Cb 0.00 -2.69 0.05 0.00 -0.34 0.00 0.00 43.02 40.03 3dy3 s PHE -8 CO 0.00 -0.18 0.25 1.21 -1.46 0.00 0.00 175.22 175.04 3dy3 s ASN -7 N 1.32 5.78 0.04 6.13 3.04 -1.26 -4.95 114.94 125.04 3dy3 s ASN -7 Ca 0.23 -1.18 0.14 0.00 0.04 0.00 0.00 52.86 52.09 3dy3 s ASN -7 Cb -0.15 -2.04 0.58 0.00 -1.54 0.00 0.00 41.25 38.10 3dy3 s ASN -7 CO 0.09 -0.47 1.43 -0.81 -3.04 0.00 0.00 177.10 174.30 3dy3 n PRO -6 N 5.01 0.03 -4.16 0.43 -0.04 -1.26 -4.79 135.00 130.22 3dy3 n PRO -6 Ca -0.11 0.32 -0.23 0.00 -0.04 0.00 0.00 63.50 63.44 3dy3 n PRO -6 Cb 0.45 -1.56 -0.05 0.00 -0.04 0.00 0.00 33.50 32.30 3dy3 n PRO -6 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3dy3 s TYR -5 N -3.05 3.00 0.30 0.54 1.51 -1.26 -5.09 117.35 113.30 3dy3 s TYR -5 Ca 0.05 -0.12 -0.07 0.00 -1.01 0.00 0.00 57.07 55.92 3dy3 s TYR -5 Cb 0.08 -1.37 0.00 0.00 -0.11 0.00 0.00 41.96 40.56 3dy3 s TYR -5 CO 0.24 0.54 0.48 0.20 -1.11 0.00 0.00 175.55 175.90 3dy3 s GLY -4 N -3.62 1.03 -0.11 0.71 0.00 -1.26 -5.16 107.32 98.91 3dy3 s GLY -4 Ca 0.32 -1.22 -0.01 0.00 0.00 0.00 0.00 44.72 43.80 3dy3 s GLY -4 CO 0.23 -0.83 -0.04 -0.35 0.00 0.00 0.00 173.10 172.12 3dy3 s ASP -3 N -3.14 2.12 -0.10 1.64 3.68 -1.26 -4.19 116.67 115.42 3dy3 s ASP -3 Ca 0.27 -0.31 0.17 0.00 2.13 0.00 0.00 52.55 54.80 3dy3 s ASP -3 Cb -0.00 -0.69 0.61 0.00 -1.45 0.00 0.00 42.92 41.38 3dy3 s ASP -3 CO 0.15 -0.17 1.52 0.59 0.13 0.00 0.00 175.17 177.39 3dy3 n ASN -2 N 5.01 4.25 0.00 -0.34 4.13 -0.90 -4.48 115.26 122.93 3dy3 n ASN -2 Ca -0.10 -2.43 0.00 0.00 1.68 0.00 0.00 54.58 53.73 3dy3 n ASN -2 Cb 0.49 -0.50 0.00 0.00 -1.54 0.00 0.00 39.78 38.23 3dy3 n ASN -2 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3dy3 n GLY -1 N 0.78 2.09 0.06 7.41 0.00 -1.26 -1.71 105.19 112.56 3dy3 n GLY -1 Ca 0.22 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.75 3dy3 n GLY -1 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dy3 n GLY 1 N 0.00 -2.77 2.97 -0.02 0.00 -1.26 -4.13 105.19 99.98 3dy3 n GLY 1 Ca 0.00 -1.34 -0.13 0.00 0.00 0.00 0.00 46.02 44.55 3dy3 n GLY 1 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dy3 s THR 2 N -3.69 -0.04 0.22 2.61 2.01 -1.26 -0.90 115.64 114.58 3dy3 s THR 2 Ca 0.00 0.14 0.11 0.00 0.31 0.00 0.00 61.69 62.25 3dy3 s THR 2 Cb 0.00 -0.27 -0.05 0.00 0.01 0.00 0.00 72.50 72.19 3dy3 s THR 2 CO 0.00 0.06 -0.20 0.27 -0.69 0.00 0.00 174.62 174.05 3dy3 s ILE 3 N 1.02 2.22 -0.06 1.82 -4.36 0.26 -2.66 121.20 119.44 3dy3 s ILE 3 Ca -0.08 -2.15 -0.03 0.00 -0.26 0.00 0.00 60.65 58.13 3dy3 s ILE 3 Cb -0.10 -2.12 0.03 0.00 1.25 0.00 0.00 42.46 41.53 3dy3 s ILE 3 CO -0.06 -0.30 0.15 -0.22 0.24 0.00 0.00 174.94 174.75 3dy3 s LEU 4 N -3.02 0.86 -0.09 0.37 2.96 0.43 0.45 118.68 120.64 3dy3 s LEU 4 Ca 0.23 0.31 0.01 0.00 -0.22 0.00 0.00 54.13 54.46 3dy3 s LEU 4 Cb -0.06 0.41 0.02 0.00 0.50 0.00 0.00 46.19 47.05 3dy3 s LEU 4 CO 0.11 -0.13 -0.13 -0.83 -1.32 0.00 0.00 176.35 174.05 3dy3 s GLY 5 N 0.94 0.91 -0.04 7.98 0.00 0.40 0.56 107.32 118.08 3dy3 s GLY 5 Ca -0.07 -0.58 0.03 0.00 0.00 0.00 0.00 44.72 44.10 3dy3 s GLY 5 CO -0.05 0.30 -0.11 -0.42 0.00 0.00 0.00 173.10 172.82 3dy3 s ILE 6 N 1.01 0.99 -0.24 0.90 1.01 -0.20 -0.09 121.20 124.58 3dy3 s ILE 6 Ca -0.07 -0.45 -0.08 0.00 0.00 0.00 0.00 60.65 60.04 3dy3 s ILE 6 Cb -0.15 -0.88 -0.04 0.00 0.01 0.00 0.00 42.46 41.41 3dy3 s ILE 6 CO -0.01 0.30 0.09 0.00 0.00 0.00 0.00 174.94 175.33 3dy3 s ALA 7 N 0.30 3.30 0.65 9.38 0.00 0.47 -0.43 121.76 135.44 3dy3 s ALA 7 Ca -0.06 -1.02 -0.02 0.00 0.00 0.00 0.00 51.96 50.86 3dy3 s ALA 7 Cb -0.11 -2.12 0.07 0.00 0.00 0.00 0.00 23.12 20.96 3dy3 s ALA 7 CO 0.01 -0.32 0.46 0.41 0.00 0.00 0.00 175.76 176.32 3dy3 n GLY 8 N 4.59 0.20 0.12 0.00 0.00 0.23 -4.91 105.19 105.42 3dy3 n GLY 8 Ca -0.16 -1.91 -0.05 0.00 0.00 0.00 0.00 46.02 43.90 3dy3 n GLY 8 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3dy3 h GLU 9 N 0.00 0.10 0.00 1.61 4.81 -1.92 -2.50 114.58 116.68 3dy3 h GLU 9 Ca -0.15 -0.09 -0.12 0.00 -0.13 0.00 0.00 59.36 58.87 3dy3 h GLU 9 Cb 0.51 0.02 -0.25 0.00 0.63 0.00 0.00 28.75 29.66 3dy3 h GLU 9 CO 0.14 0.81 -0.83 -0.40 -0.73 0.00 0.00 179.01 178.01 3dy3 n ASP 10 N -3.69 0.94 -3.54 1.04 5.75 -1.26 -2.85 116.55 112.94 3dy3 n ASP 10 Ca -0.02 -2.27 -0.05 0.00 -0.01 0.00 0.00 54.79 52.44 3dy3 n ASP 10 Cb 0.73 -0.31 -0.00 0.00 -1.03 0.00 0.00 41.12 40.51 3dy3 n ASP 10 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 3dy3 s PHE 11 N -0.50 -0.04 -0.01 2.11 -0.12 -1.26 -4.54 117.98 113.61 3dy3 s PHE 11 Ca 0.28 -0.36 -0.26 0.00 -0.05 0.00 0.00 56.93 56.54 3dy3 s PHE 11 Cb 0.31 0.69 0.06 0.00 -0.63 0.00 0.00 43.02 43.45 3dy3 s PHE 11 CO -0.12 -1.01 0.57 0.00 -0.05 0.00 0.00 175.22 174.61 3dy3 s ALA 12 N -2.91 -1.47 0.04 1.99 0.00 -0.79 0.78 121.76 119.40 3dy3 s ALA 12 Ca 0.15 0.92 0.04 0.00 0.00 0.00 0.00 51.96 53.07 3dy3 s ALA 12 Cb -0.03 0.15 -0.02 0.00 0.00 0.00 0.00 23.12 23.22 3dy3 s ALA 12 CO 0.05 -0.40 -0.11 0.14 0.00 0.00 0.00 175.76 175.44 3dy3 s VAL 13 N -1.64 0.87 -0.13 0.00 -7.23 0.43 -0.45 120.40 112.26 3dy3 s VAL 13 Ca -0.10 -0.96 -0.02 0.00 -1.81 0.00 0.00 61.98 59.10 3dy3 s VAL 13 Cb -0.01 -0.83 0.04 0.00 0.56 0.00 0.00 36.38 36.14 3dy3 s VAL 13 CO 0.05 -0.11 0.01 -0.22 -0.31 0.00 0.00 175.10 174.53 3dy3 s LEU 14 N -1.19 0.89 0.35 1.32 0.20 -0.77 -1.03 118.68 118.44 3dy3 s LEU 14 Ca -0.02 -0.45 0.09 0.00 0.69 0.00 0.00 54.13 54.45 3dy3 s LEU 14 Cb -0.08 -0.53 -0.07 0.00 -0.43 0.00 0.00 46.19 45.08 3dy3 s LEU 14 CO 0.01 -0.24 -0.09 0.00 -0.29 0.00 0.00 176.35 175.74 3dy3 s ALA 15 N 1.91 2.95 -0.15 5.97 0.00 0.19 -1.97 121.76 130.66 3dy3 s ALA 15 Ca 0.02 -2.10 -0.30 0.00 0.00 0.00 0.00 51.96 49.58 3dy3 s ALA 15 Cb -0.15 -0.02 0.12 0.00 0.00 0.00 0.00 23.12 23.07 3dy3 s ALA 15 CO -0.07 0.06 0.96 0.20 0.00 0.00 0.00 175.76 176.92 3dy3 s GLY 16 N -3.61 -0.30 0.80 0.00 0.00 -0.84 -0.43 107.32 102.94 3dy3 s GLY 16 Ca 0.33 1.94 -0.11 0.00 0.00 0.00 0.00 44.72 46.87 3dy3 s GLY 16 CO 0.16 1.02 1.09 0.51 0.00 0.00 0.00 173.10 175.88 3dy3 s ASP 17 N -1.13 4.41 -0.16 1.64 3.84 -1.09 -1.48 116.67 122.70 3dy3 s ASP 17 Ca -0.03 1.45 0.16 0.00 -0.00 0.00 0.00 52.55 54.13 3dy3 s ASP 17 Cb -0.00 -2.20 0.58 0.00 -1.38 0.00 0.00 42.92 39.92 3dy3 s ASP 17 CO 0.02 -2.04 1.49 0.35 -0.00 0.00 0.00 175.17 174.99 3dy3 n THR 18 N -3.50 2.18 -3.39 2.11 -2.24 0.64 -4.69 114.28 105.39 3dy3 n THR 18 Ca 0.07 -1.62 -0.38 0.00 -2.27 0.00 0.00 64.05 59.86 3dy3 n THR 18 Cb 0.55 -0.13 -0.06 0.00 -2.10 0.00 0.00 70.33 68.59 3dy3 n THR 18 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3dy3 s ARG 19 N -2.50 4.25 -0.13 -0.78 3.52 -1.26 -1.11 118.95 120.94 3dy3 s ARG 19 Ca 0.43 0.38 0.02 0.00 -0.13 0.00 0.00 55.73 56.43 3dy3 s ARG 19 Cb 0.33 -3.40 0.00 0.00 -1.56 0.00 0.00 34.95 30.32 3dy3 s ARG 19 CO 0.13 0.27 -0.19 1.21 -0.81 0.00 0.00 175.30 175.90 3dy3 s ASN 20 N 0.28 3.37 0.31 -2.12 3.84 -0.68 -4.20 114.94 115.74 3dy3 s ASN 20 Ca 0.24 -0.52 0.04 0.00 0.21 0.00 0.00 52.86 52.82 3dy3 s ASN 20 Cb -0.15 -1.49 -0.06 0.00 -0.55 0.00 0.00 41.25 39.00 3dy3 s ASN 20 CO 0.10 0.11 0.04 0.27 -2.79 0.00 0.00 177.10 174.82 3dy3 s ILE 21 N 0.65 1.21 -0.19 -5.21 -5.25 -0.69 -0.26 121.20 111.46 3dy3 s ILE 21 Ca -0.10 -2.02 -0.04 0.00 -0.99 0.00 0.00 60.65 57.50 3dy3 s ILE 21 Cb -0.16 -2.70 0.09 0.00 2.95 0.00 0.00 42.46 42.64 3dy3 s ILE 21 CO 0.02 -0.08 0.22 -0.89 -1.79 0.00 0.00 174.94 172.43 3dy3 s THR 22 N -3.29 -0.33 0.00 8.37 2.01 -0.96 -3.96 115.64 117.48 3dy3 s THR 22 Ca 0.35 -0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.29 3dy3 s THR 22 Cb 0.08 -0.64 0.00 0.00 0.01 0.00 0.00 72.50 71.95 3dy3 s THR 22 CO 0.14 -0.16 0.00 0.47 -0.69 0.00 0.00 174.62 174.38 3dy3 n ASP 23 N 5.32 0.00 -1.03 3.53 10.43 -1.26 -1.42 116.55 132.12 3dy3 n ASP 23 Ca -0.05 0.00 0.09 0.00 2.57 0.00 0.00 54.79 57.40 3dy3 n ASP 23 Cb 0.50 0.00 0.24 0.00 1.84 0.00 0.00 41.12 43.70 3dy3 n ASP 23 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 3dy3 n TYR 24 N 10.43 0.73 -4.05 1.24 4.02 -1.26 -4.98 117.16 123.29 3dy3 n TYR 24 Ca 0.00 -0.49 -0.25 0.00 -0.01 0.00 0.00 57.90 57.16 3dy3 n TYR 24 Cb 0.00 -0.01 -0.04 0.00 -0.02 0.00 0.00 39.34 39.26 3dy3 n TYR 24 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 3dy3 s SER 25 N -1.01 5.75 -0.24 7.72 0.01 -0.51 -5.10 113.70 120.33 3dy3 s SER 25 Ca 0.37 -0.08 -0.09 0.00 1.31 0.00 0.00 55.95 57.47 3dy3 s SER 25 Cb 0.19 -1.56 -0.04 0.00 0.21 0.00 0.00 66.02 64.82 3dy3 s SER 25 CO 0.25 0.03 0.11 -0.63 0.41 0.00 0.00 173.24 173.41 3dy3 s ILE 26 N -1.85 4.81 0.01 1.44 1.01 -1.26 -2.25 121.20 123.10 3dy3 s ILE 26 Ca 0.32 -0.01 -0.05 0.00 0.00 0.00 0.00 60.65 60.92 3dy3 s ILE 26 Cb -0.10 -3.24 -0.29 0.00 0.01 0.00 0.00 42.46 38.85 3dy3 s ILE 26 CO 0.25 0.35 0.89 0.78 0.00 0.00 0.00 174.94 177.21 3dy3 h ASN 27 N 7.80 0.44 -4.05 3.58 2.35 -0.96 -3.48 115.58 121.26 3dy3 h ASN 27 Ca -0.37 -0.58 -0.02 0.00 -0.55 0.00 0.00 56.30 54.77 3dy3 h ASN 27 Cb 1.18 -0.14 -0.22 0.00 0.05 0.00 0.00 38.32 39.19 3dy3 h ASN 27 CO 0.61 1.48 0.20 -0.55 -1.65 0.00 0.00 177.43 177.52 3dy3 s SER 28 N -7.06 -0.68 0.09 5.81 0.15 -1.11 -5.00 113.70 105.90 3dy3 s SER 28 Ca -0.09 1.22 0.24 0.00 0.70 0.00 0.00 55.95 58.02 3dy3 s SER 28 Cb 0.07 1.20 0.28 0.00 -1.71 0.00 0.00 66.02 65.85 3dy3 s SER 28 CO 0.86 -0.30 1.25 0.54 1.20 0.00 0.00 173.24 176.80 3dy3 n ARG 29 N 2.28 0.27 -3.45 5.44 1.74 -1.26 -1.68 116.66 119.99 3dy3 n ARG 29 Ca -0.14 0.06 -0.24 0.00 -0.77 0.00 0.00 57.85 56.75 3dy3 n ARG 29 Cb 0.56 -1.65 -0.11 0.00 -1.02 0.00 0.00 32.46 30.23 3dy3 n ARG 29 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 3dy3 s TYR 30 N -3.16 0.15 -0.33 -1.55 5.04 -1.11 -4.07 117.35 112.32 3dy3 s TYR 30 Ca 0.06 -0.95 -0.01 0.00 -2.44 0.00 0.00 57.07 53.72 3dy3 s TYR 30 Cb 0.14 -0.71 0.11 0.00 0.35 0.00 0.00 41.96 41.85 3dy3 s TYR 30 CO 0.74 -0.88 0.15 -2.00 -1.34 0.00 0.00 175.55 172.23 3dy3 s GLU 31 N 1.70 0.58 0.22 4.97 2.56 -0.27 -5.04 118.70 123.42 3dy3 s GLU 31 Ca 0.13 -1.08 -0.28 0.00 0.00 0.00 0.00 54.97 53.74 3dy3 s GLU 31 Cb -0.18 -1.59 -0.16 0.00 2.00 0.00 0.00 34.13 34.20 3dy3 s GLU 31 CO -0.18 -1.08 0.70 -2.30 -0.56 0.00 0.00 175.26 171.85 3dy3 n PRO 32 N 4.61 0.46 0.00 4.30 -0.02 -1.26 -4.70 135.00 138.39 3dy3 n PRO 32 Ca 0.01 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 3dy3 n PRO 32 Cb 0.40 -1.30 0.00 0.00 -0.02 0.00 0.00 33.50 32.58 3dy3 n PRO 32 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3dy3 n LYS 33 N 0.94 1.92 -3.97 -0.52 4.81 -1.26 -5.02 118.16 115.07 3dy3 n LYS 33 Ca 0.15 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 57.25 3dy3 n LYS 33 Cb 0.27 -0.91 -0.09 0.00 0.02 0.00 0.00 35.03 34.31 3dy3 n LYS 33 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3dy3 s VAL 34 N -1.71 4.87 0.04 3.15 1.01 -1.26 -4.43 120.40 122.07 3dy3 s VAL 34 Ca 0.00 -0.00 0.08 0.00 0.00 0.00 0.00 61.98 62.05 3dy3 s VAL 34 Cb 0.00 -3.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 3dy3 s VAL 34 CO 0.00 0.46 -0.22 -0.36 0.00 0.00 0.00 175.10 174.98 3dy3 s PHE 35 N 0.37 1.92 -0.30 5.22 0.08 0.32 -4.96 117.98 120.63 3dy3 s PHE 35 Ca 0.04 -0.38 -0.21 0.00 0.12 0.00 0.00 56.93 56.50 3dy3 s PHE 35 Cb -0.12 -1.15 -0.01 0.00 -0.57 0.00 0.00 43.02 41.17 3dy3 s PHE 35 CO -0.00 0.09 0.65 0.34 -0.10 0.00 0.00 175.22 176.20 3dy3 s ASP 36 N -1.15 6.53 0.00 1.36 3.68 -1.26 -0.85 116.67 124.98 3dy3 s ASP 36 Ca 0.08 0.49 0.19 0.00 2.13 0.00 0.00 52.55 55.44 3dy3 s ASP 36 Cb -0.09 -2.34 0.49 0.00 -1.45 0.00 0.00 42.92 39.53 3dy3 s ASP 36 CO 0.02 -0.48 1.40 0.00 0.13 0.00 0.00 175.17 176.24 3dy3 n GLY 38 N 1.26 0.51 3.96 0.00 0.00 -1.25 -4.89 105.19 104.78 3dy3 n GLY 38 Ca 0.19 -1.96 -0.31 0.00 0.00 0.00 0.00 46.02 43.94 3dy3 n GLY 38 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dy3 n ASP 39 N -0.33 -2.29 -3.73 1.61 8.00 -1.26 -0.53 116.55 118.02 3dy3 n ASP 39 Ca 0.00 -0.78 -0.25 0.00 0.71 0.00 0.00 54.79 54.48 3dy3 n ASP 39 Cb 0.00 -1.96 0.05 0.00 -0.02 0.00 0.00 41.12 39.19 3dy3 n ASP 39 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3dy3 n ASN 40 N -2.31 -3.62 -4.06 -2.24 5.03 -1.26 -4.83 115.26 101.98 3dy3 n ASN 40 Ca 0.07 -0.73 -0.29 0.00 0.87 0.00 0.00 54.58 54.51 3dy3 n ASN 40 Cb 0.48 -4.30 -0.17 0.00 -1.02 0.00 0.00 39.78 34.77 3dy3 n ASN 40 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3dy3 s ILE 41 N -3.43 1.51 -0.01 2.41 1.01 0.31 -4.39 121.20 118.60 3dy3 s ILE 41 Ca 0.36 -0.65 0.03 0.00 0.00 0.00 0.00 60.65 60.39 3dy3 s ILE 41 Cb -0.17 -1.38 -0.03 0.00 0.01 0.00 0.00 42.46 40.88 3dy3 s ILE 41 CO 0.79 0.44 -0.08 0.68 0.00 0.00 0.00 174.94 176.77 3dy3 s VAL 42 N 1.00 3.53 0.03 2.92 -7.23 -0.62 -0.75 120.40 119.28 3dy3 s VAL 42 Ca -0.06 -0.74 -0.04 0.00 -1.81 0.00 0.00 61.98 59.32 3dy3 s VAL 42 Cb -0.15 -2.50 -0.01 0.00 0.56 0.00 0.00 36.38 34.28 3dy3 s VAL 42 CO -0.02 0.45 0.06 -0.32 -0.31 0.00 0.00 175.10 174.96 3dy3 s MET 43 N -1.23 0.49 -0.18 4.82 0.00 -0.03 -0.40 119.30 122.77 3dy3 s MET 43 Ca 0.15 -0.69 -0.08 0.00 0.00 0.00 0.00 55.69 55.08 3dy3 s MET 43 Cb -0.11 0.19 0.07 0.00 0.00 0.00 0.00 34.83 34.98 3dy3 s MET 43 CO 0.05 -0.11 0.40 0.45 0.00 0.00 0.00 175.02 175.81 3dy3 s SER 44 N -1.87 -0.32 -0.56 1.11 0.15 -0.13 -0.52 113.70 111.56 3dy3 s SER 44 Ca -0.09 0.90 -0.05 0.00 0.70 0.00 0.00 55.95 57.42 3dy3 s SER 44 Cb -0.04 1.01 0.15 0.00 -1.71 0.00 0.00 66.02 65.43 3dy3 s SER 44 CO -0.03 -0.21 0.39 0.00 1.20 0.00 0.00 173.24 174.59 3dy3 s ALA 45 N 2.02 3.48 0.19 5.45 0.00 -1.26 -1.10 121.76 130.54 3dy3 s ALA 45 Ca -0.05 -2.98 -0.07 0.00 0.00 0.00 0.00 51.96 48.86 3dy3 s ALA 45 Cb -0.10 -2.68 -0.06 0.00 0.00 0.00 0.00 23.12 20.27 3dy3 s ALA 45 CO -0.12 -2.01 0.47 1.21 0.00 0.00 0.00 175.76 175.30 3dy3 s ASN 46 N 1.37 6.55 0.00 0.00 3.84 -0.86 -4.38 114.94 121.47 3dy3 s ASN 46 Ca 0.13 0.75 0.00 0.00 0.21 0.00 0.00 52.86 53.95 3dy3 s ASN 46 Cb -0.21 -2.16 0.00 0.00 -0.55 0.00 0.00 41.25 38.33 3dy3 s ASN 46 CO -0.04 -0.02 0.00 0.61 -2.79 0.00 0.00 177.10 174.86 3dy3 n GLY 47 N -0.08 1.06 3.46 1.21 0.00 -1.26 0.40 105.19 109.99 3dy3 n GLY 47 Ca -0.01 -0.65 -0.43 0.00 0.00 0.00 0.00 46.02 44.93 3dy3 n GLY 47 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3dy3 s PHE 48 N 0.00 2.83 0.30 1.61 5.36 -0.70 -2.12 117.98 125.26 3dy3 s PHE 48 Ca 0.00 -0.45 0.06 0.00 -0.96 0.00 0.00 56.93 55.59 3dy3 s PHE 48 Cb 0.00 -4.02 0.82 0.00 -0.34 0.00 0.00 43.02 39.48 3dy3 s PHE 48 CO 0.00 -1.38 1.67 0.00 -1.46 0.00 0.00 175.22 174.05 3dy3 h ALA 49 N 9.32 1.52 -0.50 11.12 0.00 -1.89 -0.62 119.26 138.21 3dy3 h ALA 49 Ca -0.28 0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.87 3dy3 h ALA 49 Cb 1.08 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 19.04 3dy3 h ALA 49 CO 1.10 -0.45 0.24 0.00 0.00 0.00 0.00 179.25 180.13 3dy3 h ALA 50 N 1.78 0.64 -0.28 0.00 0.00 -1.96 0.26 119.26 119.70 3dy3 h ALA 50 Ca 0.61 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.43 3dy3 h ALA 50 Cb 1.25 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 3dy3 h ALA 50 CO -0.60 -0.11 -0.29 -0.44 0.00 0.00 0.00 179.25 177.81 3dy3 h ASP 51 N 0.48 0.73 -0.74 0.00 3.45 -1.62 -2.22 116.42 116.49 3dy3 h ASP 51 Ca 0.22 -0.48 0.05 0.00 0.43 0.00 0.00 57.03 57.25 3dy3 h ASP 51 Cb 0.15 -0.21 -0.04 0.00 -0.56 0.00 0.00 39.33 38.67 3dy3 h ASP 51 CO -0.17 1.06 0.49 1.23 -1.57 0.00 0.00 179.24 180.28 3dy3 h GLY 52 N 0.42 1.02 1.00 2.75 0.00 -0.72 0.29 103.07 107.84 3dy3 h GLY 52 Ca 0.04 -0.34 -0.15 0.00 0.00 0.00 0.00 47.33 46.88 3dy3 h GLY 52 CO 0.07 0.28 -0.43 -0.55 0.00 0.00 0.00 176.54 175.91 3dy3 h ASP 53 N 0.86 0.78 -0.21 0.19 3.45 -0.87 -2.20 116.42 118.42 3dy3 h ASP 53 Ca 0.31 -0.54 0.04 0.00 0.43 0.00 0.00 57.03 57.27 3dy3 h ASP 53 Cb 0.13 -0.22 -0.04 0.00 -0.56 0.00 0.00 39.33 38.64 3dy3 h ASP 53 CO -0.09 1.17 -0.02 0.00 -1.57 0.00 0.00 179.24 178.72 3dy3 h ALA 54 N 0.63 0.16 0.98 3.45 0.00 -0.72 -0.16 119.26 123.62 3dy3 h ALA 54 Ca 0.01 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3dy3 h ALA 54 Cb 1.03 0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.95 3dy3 h ALA 54 CO 0.10 -0.45 -0.48 1.25 0.00 0.00 0.00 179.25 179.67 3dy3 h LEU 55 N 0.04 -1.14 -0.76 0.00 5.85 -0.95 -0.71 115.31 117.64 3dy3 h LEU 55 Ca 0.10 0.04 0.15 0.00 0.84 0.00 0.00 57.88 59.01 3dy3 h LEU 55 Cb 0.13 0.30 -0.10 0.00 0.37 0.00 0.00 40.66 41.37 3dy3 h LEU 55 CO -0.18 -0.81 0.31 0.58 -0.34 0.00 0.00 178.44 178.00 3dy3 h VAL 56 N -1.33 0.65 -0.59 1.05 2.07 -1.31 0.18 116.25 116.97 3dy3 h VAL 56 Ca -0.13 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.25 3dy3 h VAL 56 Cb 1.02 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 3dy3 h VAL 56 CO 0.21 0.08 0.38 0.50 0.02 0.00 0.00 177.57 178.77 3dy3 h LYS 57 N 0.45 0.75 -0.45 1.57 3.64 -0.89 -0.64 116.57 120.99 3dy3 h LYS 57 Ca 0.42 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.64 3dy3 h LYS 57 Cb 0.64 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 3dy3 h LYS 57 CO -0.41 0.49 -0.17 -0.09 -2.27 0.00 0.00 179.45 177.00 3dy3 h ARG 58 N 0.77 0.87 -0.06 1.90 2.43 0.54 -2.27 114.38 118.55 3dy3 h ARG 58 Ca 0.22 -0.34 -0.02 0.00 -0.81 0.00 0.00 59.98 59.04 3dy3 h ARG 58 Cb -0.06 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.44 3dy3 h ARG 58 CO -0.06 0.98 -0.03 0.35 -1.51 0.00 0.00 179.97 179.69 3dy3 h PHE 59 N 0.77 0.15 -0.95 2.20 3.57 -0.43 -2.01 116.94 120.24 3dy3 h PHE 59 Ca 0.11 -0.04 0.15 0.00 3.53 0.00 0.00 57.97 61.73 3dy3 h PHE 59 Cb 0.70 -0.04 -0.08 0.00 2.79 0.00 0.00 35.95 39.33 3dy3 h PHE 59 CO 0.04 0.51 0.60 0.87 -2.23 0.00 0.00 178.31 178.11 3dy3 h LYS 60 N -0.25 0.75 -0.20 1.11 1.57 -1.07 0.39 116.57 118.88 3dy3 h LYS 60 Ca 0.01 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.65 3dy3 h LYS 60 Cb 0.47 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 3dy3 h LYS 60 CO 0.01 0.50 -0.30 -0.97 -0.57 0.00 0.00 179.45 178.12 3dy3 h ASN 61 N 0.78 0.39 -0.17 0.86 -0.73 -1.25 -1.54 115.58 113.92 3dy3 h ASN 61 Ca 0.50 -0.14 -0.08 0.00 1.87 0.00 0.00 56.30 58.45 3dy3 h ASN 61 Cb 0.73 -0.11 -0.02 0.00 0.27 0.00 0.00 38.32 39.20 3dy3 h ASN 61 CO -0.26 0.68 -0.13 -1.28 -0.37 0.00 0.00 177.43 176.07 3dy3 h SER 62 N 0.34 0.53 -0.46 1.15 0.87 0.48 -1.78 113.55 114.68 3dy3 h SER 62 Ca 0.05 -0.14 -0.10 0.00 -1.23 0.00 0.00 61.79 60.36 3dy3 h SER 62 Cb 0.70 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.50 3dy3 h SER 62 CO 0.05 0.69 -0.12 0.58 -0.53 0.00 0.00 176.83 177.50 3dy3 h VAL 63 N 0.50 1.27 -0.40 2.23 2.07 -0.64 -0.62 116.25 120.66 3dy3 h VAL 63 Ca 0.09 -1.25 0.04 0.00 0.82 0.00 0.00 66.70 66.40 3dy3 h VAL 63 Cb 0.52 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 3dy3 h VAL 63 CO 0.03 0.43 0.18 0.50 0.02 0.00 0.00 177.57 178.73 3dy3 h LYS 64 N 0.73 0.36 0.00 1.57 3.64 -0.72 -1.76 116.57 120.39 3dy3 h LYS 64 Ca 0.11 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.34 3dy3 h LYS 64 Cb 0.67 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 3dy3 h LYS 64 CO 0.05 0.24 -0.61 -1.49 -2.27 0.00 0.00 179.45 175.36 3dy3 h TRP 65 N 0.37 0.00 -0.29 1.91 4.06 -1.22 -2.47 115.95 118.31 3dy3 h TRP 65 Ca 0.18 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 61.10 3dy3 h TRP 65 Cb 0.11 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.25 3dy3 h TRP 65 CO -0.12 0.61 0.07 -0.92 -3.56 0.00 0.00 178.44 174.53 3dy3 h TYR 66 N 0.00 0.42 -0.15 0.49 3.20 -0.44 0.19 116.97 120.68 3dy3 h TYR 66 Ca -0.01 -0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.71 3dy3 h TYR 66 Cb 1.09 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.23 3dy3 h TYR 66 CO 0.00 0.37 -0.42 0.45 -1.64 0.00 0.00 178.16 176.92 3dy3 h HIS 67 N 0.42 0.71 0.54 -3.82 3.86 -0.98 -1.30 115.15 114.58 3dy3 h HIS 67 Ca 0.10 -0.28 -0.02 0.00 -1.16 0.00 0.00 60.37 59.00 3dy3 h HIS 67 Cb 0.16 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 28.51 3dy3 h HIS 67 CO 0.00 1.04 -0.34 0.74 0.86 0.00 0.00 177.93 180.24 3dy3 h PHE 68 N 0.18 -0.90 -0.77 2.45 0.04 -0.90 0.78 116.94 117.83 3dy3 h PHE 68 Ca -0.01 -0.01 0.07 0.00 2.80 0.00 0.00 57.97 60.82 3dy3 h PHE 68 Cb 1.04 0.32 -0.05 0.00 2.20 0.00 0.00 35.95 39.46 3dy3 h PHE 68 CO 0.10 -0.50 0.51 -0.44 -0.60 0.00 0.00 178.31 177.38 3dy3 h ASP 69 N -0.82 0.70 -1.27 2.17 3.32 -0.74 -3.20 116.42 116.58 3dy3 h ASP 69 Ca -0.07 0.01 -0.59 0.00 0.02 0.00 0.00 57.03 56.39 3dy3 h ASP 69 Cb 0.66 -0.14 -0.41 0.00 0.22 0.00 0.00 39.33 39.66 3dy3 h ASP 69 CO 0.07 0.44 -0.56 1.41 -1.72 0.00 0.00 179.24 178.88 3dy3 n HIS 70 N -4.49 3.15 -3.90 4.55 8.25 -0.49 -4.97 115.22 117.32 3dy3 n HIS 70 Ca 0.12 -2.75 -0.25 0.00 -0.26 0.00 0.00 57.72 54.57 3dy3 n HIS 70 Cb 0.25 -0.31 -0.01 0.00 1.12 0.00 0.00 29.99 31.05 3dy3 n HIS 70 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3dy3 n ASN 70 N -0.58 -0.80 -1.34 0.41 4.05 -0.96 -1.15 115.26 114.90 3dy3 n ASN 70 Ca 0.43 -0.95 -0.17 0.00 0.45 0.00 0.00 54.58 54.33 3dy3 n ASN 70 Cb 0.73 -3.31 -0.07 0.00 1.23 0.00 0.00 39.78 38.36 3dy3 n ASN 70 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 3dy3 n ASP 71 N -2.98 -5.56 -4.75 1.20 8.00 0.27 -4.93 116.55 107.79 3dy3 n ASP 71 Ca -0.28 0.43 -0.41 0.00 0.71 0.00 0.00 54.79 55.24 3dy3 n ASP 71 Cb 0.67 -4.62 -0.00 0.00 -0.02 0.00 0.00 41.12 37.15 3dy3 n ASP 71 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3dy3 n LYS 72 N -1.82 2.51 -2.27 -1.24 4.81 -0.30 -4.93 118.16 114.93 3dy3 n LYS 72 Ca -0.17 0.88 -0.41 0.00 -0.87 0.00 0.00 58.31 57.74 3dy3 n LYS 72 Cb 0.65 -2.57 -0.03 0.00 0.02 0.00 0.00 35.03 33.10 3dy3 n LYS 72 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3dy3 s LYS 73 N -2.04 4.44 -0.34 1.64 2.20 -1.26 -4.63 119.74 119.75 3dy3 s LYS 73 Ca 0.54 2.01 -0.24 0.00 -0.36 0.00 0.00 55.97 57.92 3dy3 s LYS 73 Cb -0.50 -3.17 0.01 0.00 -1.51 0.00 0.00 37.83 32.65 3dy3 s LYS 73 CO 0.63 -0.13 0.83 -1.17 -0.36 0.00 0.00 175.35 175.16 3dy3 s LEU 74 N -0.75 4.08 0.52 5.43 2.96 -1.26 -5.03 118.68 124.63 3dy3 s LEU 74 Ca 0.52 0.54 -0.20 0.00 -0.22 0.00 0.00 54.13 54.77 3dy3 s LEU 74 Cb -0.36 -3.12 -0.06 0.00 0.50 0.00 0.00 46.19 43.15 3dy3 s LEU 74 CO 0.42 -0.73 1.13 -0.94 -1.32 0.00 0.00 176.35 174.91 3dy3 s SER 75 N 1.76 5.86 0.28 3.68 1.04 -1.26 -4.83 113.70 120.23 3dy3 s SER 75 Ca 0.34 2.19 0.03 0.00 0.48 0.00 0.00 55.95 58.98 3dy3 s SER 75 Cb -0.13 -2.58 0.65 0.00 0.10 0.00 0.00 66.02 64.05 3dy3 s SER 75 CO 0.16 -1.12 1.76 -0.29 0.98 0.00 0.00 173.24 174.73 3dy3 h ILE 76 N 1.37 0.70 -0.59 -1.02 6.09 -1.92 -0.20 117.51 121.94 3dy3 h ILE 76 Ca -0.50 -0.23 -0.03 0.00 -1.37 0.00 0.00 64.86 62.73 3dy3 h ILE 76 Cb 1.26 -0.04 -0.03 0.00 0.47 0.00 0.00 36.82 38.48 3dy3 h ILE 76 CO 0.58 0.12 0.25 -0.55 -3.07 0.00 0.00 178.15 175.48 3dy3 h ASN 77 N 0.68 0.80 -0.47 2.19 -1.07 -1.92 -1.05 115.58 114.74 3dy3 h ASN 77 Ca 0.53 -0.16 -0.06 0.00 0.07 0.00 0.00 56.30 56.68 3dy3 h ASN 77 Cb 0.80 -0.21 -0.02 0.00 -2.07 0.00 0.00 38.32 36.82 3dy3 h ASN 77 CO -0.38 0.74 0.10 0.28 0.07 0.00 0.00 177.43 178.23 3dy3 h SER 78 N 0.81 0.79 -0.18 6.14 0.02 -1.46 -1.64 113.55 118.03 3dy3 h SER 78 Ca 0.20 -0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 3dy3 h SER 78 Cb 0.18 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 3dy3 h SER 78 CO -0.02 0.79 0.05 0.00 -1.14 0.00 0.00 176.83 176.51 3dy3 h ALA 79 N 1.31 0.23 -0.51 3.77 0.00 -0.76 -0.62 119.26 122.68 3dy3 h ALA 79 Ca 0.17 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.01 3dy3 h ALA 79 Cb 0.34 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 3dy3 h ALA 79 CO 0.00 -0.13 0.18 0.00 0.00 0.00 0.00 179.25 179.30 3dy3 h ALA 80 N 0.86 0.62 -0.62 0.00 0.00 -0.83 0.14 119.26 119.44 3dy3 h ALA 80 Ca 0.06 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3dy3 h ALA 80 Cb 0.25 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3dy3 h ALA 80 CO -0.00 -0.21 0.18 -0.09 0.00 0.00 0.00 179.25 179.12 3dy3 h ARG 81 N 0.36 0.97 -0.34 0.00 9.65 -1.09 -1.46 114.38 122.46 3dy3 h ARG 81 Ca 0.25 -0.22 -0.00 0.00 -1.10 0.00 0.00 59.98 58.91 3dy3 h ARG 81 Cb 0.27 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 28.69 3dy3 h ARG 81 CO -0.25 0.86 0.20 -0.97 2.80 0.00 0.00 179.97 182.61 3dy3 h ASN 82 N 0.89 0.42 -0.76 -3.80 -0.00 -0.15 -2.12 115.58 110.05 3dy3 h ASN 82 Ca 0.20 -0.06 0.02 0.00 -0.00 0.00 0.00 56.30 56.45 3dy3 h ASN 82 Cb 0.31 -0.11 -0.04 0.00 -0.00 0.00 0.00 38.32 38.48 3dy3 h ASN 82 CO -0.00 0.36 0.51 0.40 -0.00 0.00 0.00 177.43 178.69 3dy3 h ILE 83 N 0.44 1.16 -0.95 2.57 2.04 -0.50 -0.95 117.51 121.33 3dy3 h ILE 83 Ca 0.12 -0.34 0.07 0.00 1.00 0.00 0.00 64.86 65.72 3dy3 h ILE 83 Cb 0.02 0.08 -0.07 0.00 -0.74 0.00 0.00 36.82 36.12 3dy3 h ILE 83 CO -0.02 0.18 0.60 -0.61 0.00 0.00 0.00 178.15 178.30 3dy3 h GLN 84 N 0.99 1.03 -0.33 2.37 4.15 -0.61 0.29 115.11 123.01 3dy3 h GLN 84 Ca 0.29 -0.06 -0.16 0.00 0.77 0.00 0.00 58.65 59.49 3dy3 h GLN 84 Cb -0.05 -0.23 -0.00 0.00 0.21 0.00 0.00 27.48 27.40 3dy3 h GLN 84 CO -0.07 0.68 -0.42 0.45 -1.93 0.00 0.00 178.83 177.54 3dy3 h HIS 85 N 1.06 1.05 -0.25 3.99 3.86 -0.87 0.35 115.15 124.34 3dy3 h HIS 85 Ca 0.42 -0.34 0.04 0.00 -1.16 0.00 0.00 60.37 59.34 3dy3 h HIS 85 Cb 0.23 -0.21 -0.04 0.00 1.06 0.00 0.00 27.41 28.45 3dy3 h HIS 85 CO -0.02 1.15 -0.01 -0.07 0.86 0.00 0.00 177.93 179.84 3dy3 h LEU 86 N 0.65 -0.12 0.35 2.43 3.38 -0.37 0.87 115.31 122.50 3dy3 h LEU 86 Ca 0.04 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 3dy3 h LEU 86 Cb 1.01 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3dy3 h LEU 86 CO 0.10 -0.03 -0.17 -0.07 0.09 0.00 0.00 178.44 178.36 3dy3 h LEU 87 N 0.06 -0.40 -2.48 1.67 3.38 -0.91 -3.02 115.31 113.61 3dy3 h LEU 87 Ca 0.12 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3dy3 h LEU 87 Cb 0.16 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3dy3 h LEU 87 CO -0.21 -0.08 0.00 0.22 0.09 0.00 0.00 178.44 178.47 3dy3 h TYR 88 N -0.75 0.00 0.00 1.13 5.03 -0.81 0.19 116.97 121.75 3dy3 h TYR 88 Ca -0.05 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.26 3dy3 h TYR 88 Cb 0.51 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.79 3dy3 h TYR 88 CO 0.01 0.00 0.00 0.41 -1.32 0.00 0.00 178.16 177.26 3dy3 n GLY 89 N -0.84 -0.97 1.62 1.82 0.00 0.29 -1.24 105.19 105.88 3dy3 n GLY 89 Ca -0.02 0.04 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 3dy3 n GLY 89 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dy3 n LYS 90 N -1.84 2.33 -0.07 1.61 5.02 0.05 -4.85 118.16 120.41 3dy3 n LYS 90 Ca 0.02 -3.58 0.25 0.00 -2.02 0.00 0.00 58.31 52.98 3dy3 n LYS 90 Cb 0.13 -1.74 0.72 0.00 -0.02 0.00 0.00 35.03 34.13 3dy3 n LYS 90 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3dy3 h ARG 91 N 1.74 0.00 -0.49 1.97 9.65 -1.21 0.52 114.38 126.56 3dy3 h ARG 91 Ca 0.12 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.00 3dy3 h ARG 91 Cb 1.37 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.95 3dy3 h ARG 91 CO 0.37 0.00 0.00 1.19 2.80 0.00 0.00 179.97 184.33 3dy3 n PHE 92 N -4.03 0.75 -2.70 2.20 3.72 -1.26 -4.50 117.46 111.64 3dy3 n PHE 92 Ca 0.14 -0.54 -0.06 0.00 -0.05 0.00 0.00 57.45 56.94 3dy3 n PHE 92 Cb 0.83 -0.06 0.07 0.00 -0.94 0.00 0.00 39.48 39.38 3dy3 n PHE 92 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3dy3 n PHE 93 N 0.84 -1.76 -0.84 1.38 7.35 -0.58 -5.17 117.46 118.69 3dy3 n PHE 93 Ca 0.18 -1.21 -0.32 0.00 -0.76 0.00 0.00 57.45 55.33 3dy3 n PHE 93 Cb 0.56 1.32 0.15 0.00 0.35 0.00 0.00 39.48 41.87 3dy3 n PHE 93 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 3dy3 n PRO 94 N 1.36 -0.23 -2.75 -7.13 -0.02 0.07 -4.81 135.00 121.49 3dy3 n PRO 94 Ca 0.04 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.09 3dy3 n PRO 94 Cb 0.68 -2.33 -0.03 0.00 -0.02 0.00 0.00 33.50 31.80 3dy3 n PRO 94 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3dy3 s TYR 95 N -2.43 2.87 -0.78 6.00 1.51 -1.26 -4.91 117.35 118.36 3dy3 s TYR 95 Ca 0.68 0.46 -0.16 0.00 -1.01 0.00 0.00 57.07 57.04 3dy3 s TYR 95 Cb -0.25 -4.13 -0.12 0.00 -0.11 0.00 0.00 41.96 37.35 3dy3 s TYR 95 CO 0.57 -1.18 1.95 0.98 -1.11 0.00 0.00 175.55 176.76 3dy3 n TYR 96 N 7.41 1.58 -3.94 2.71 9.36 -1.26 -4.75 117.16 128.27 3dy3 n TYR 96 Ca 0.08 -1.79 -0.09 0.00 3.32 0.00 0.00 57.90 59.42 3dy3 n TYR 96 Cb 0.49 -1.63 -0.09 0.00 -0.63 0.00 0.00 39.34 37.47 3dy3 n TYR 96 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 3dy3 s VAL 97 N 4.47 0.14 -0.37 2.97 -7.23 -1.26 -1.72 120.40 117.40 3dy3 s VAL 97 Ca 0.49 -1.14 -0.08 0.00 -1.81 0.00 0.00 61.98 59.44 3dy3 s VAL 97 Cb 0.12 -0.92 0.05 0.00 0.56 0.00 0.00 36.38 36.19 3dy3 s VAL 97 CO 0.06 -0.63 0.17 -2.28 -0.31 0.00 0.00 175.10 172.11 3dy3 s HIS 98 N -2.67 3.28 -0.08 2.82 2.46 0.16 -3.89 115.29 117.38 3dy3 s HIS 98 Ca -0.04 -1.34 -0.04 0.00 0.47 0.00 0.00 55.06 54.11 3dy3 s HIS 98 Cb -0.01 -2.47 -0.04 0.00 -0.13 0.00 0.00 32.58 29.93 3dy3 s HIS 98 CO -0.05 -0.74 0.12 -0.08 -2.47 0.00 0.00 174.74 171.52 3dy3 s THR 99 N 1.44 5.20 0.02 0.89 -1.32 -1.26 -2.02 115.64 118.59 3dy3 s THR 99 Ca 0.00 -0.02 0.04 0.00 -1.21 0.00 0.00 61.69 60.50 3dy3 s THR 99 Cb -0.20 -3.30 -0.02 0.00 -1.51 0.00 0.00 72.50 67.47 3dy3 s THR 99 CO 0.04 0.52 -0.12 -0.63 -2.21 0.00 0.00 174.62 172.21 3dy3 s ILE 100 N -1.09 0.96 0.07 5.08 1.01 -0.26 0.27 121.20 127.24 3dy3 s ILE 100 Ca 0.18 -0.77 0.03 0.00 0.00 0.00 0.00 60.65 60.09 3dy3 s ILE 100 Cb -0.12 -0.86 -0.03 0.00 0.01 0.00 0.00 42.46 41.46 3dy3 s ILE 100 CO 0.08 0.08 -0.09 0.27 0.00 0.00 0.00 174.94 175.28 3dy3 s ILE 101 N -0.62 0.75 0.07 2.92 -4.36 -0.30 -0.95 121.20 118.70 3dy3 s ILE 101 Ca 0.02 -1.37 0.01 0.00 -0.26 0.00 0.00 60.65 59.05 3dy3 s ILE 101 Cb -0.06 -1.02 -0.04 0.00 1.25 0.00 0.00 42.46 42.59 3dy3 s ILE 101 CO 0.00 -0.47 -0.06 0.00 0.24 0.00 0.00 174.94 174.66 3dy3 s ALA 102 N -1.95 0.72 0.00 2.27 0.00 0.46 -1.16 121.76 122.11 3dy3 s ALA 102 Ca -0.02 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 50.79 3dy3 s ALA 102 Cb -0.06 0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.23 3dy3 s ALA 102 CO -0.00 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 175.94 3dy3 n GLY 103 N 0.39 -0.57 3.30 0.00 0.00 -0.56 -1.59 105.19 106.16 3dy3 n GLY 103 Ca -0.15 -0.72 -0.31 0.00 0.00 0.00 0.00 46.02 44.83 3dy3 n GLY 103 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dy3 s LEU 104 N 0.00 2.11 0.00 0.99 1.43 -1.26 -0.45 118.68 121.50 3dy3 s LEU 104 Ca 0.00 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.63 3dy3 s LEU 104 Cb 0.00 -1.37 0.00 0.00 0.03 0.00 0.00 46.19 44.85 3dy3 s LEU 104 CO 0.00 0.28 0.00 -0.90 0.23 0.00 0.00 176.35 175.96 3dy3 n ASP 105 N 2.72 -0.58 -0.10 2.29 5.68 0.02 -4.43 116.55 122.14 3dy3 n ASP 105 Ca -0.17 -0.63 0.00 0.00 -0.50 0.00 0.00 54.79 53.49 3dy3 n ASP 105 Cb 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 3dy3 n ASP 105 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3dy3 n GLU 106 N -1.22 0.89 0.00 0.11 1.02 -1.26 -2.42 120.64 117.76 3dy3 n GLU 106 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3dy3 n GLU 106 Cb 0.00 -1.09 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 3dy3 n GLU 106 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3dy3 n ASP 10 N -0.39 1.18 0.00 1.62 10.43 -1.26 -4.97 116.55 123.16 3dy3 n ASP 10 Ca 0.00 -1.42 0.00 0.00 2.57 0.00 0.00 54.79 55.94 3dy3 n ASP 10 Cb 0.05 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.01 3dy3 n ASP 10 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3dy3 n GLY 10 N -0.21 0.84 3.78 0.44 0.00 -1.01 -5.03 105.19 104.00 3dy3 n GLY 10 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3dy3 n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dy3 s LYS 107 N -0.20 4.44 0.45 1.61 -0.14 -1.26 -4.36 119.74 120.28 3dy3 s LYS 107 Ca 0.00 1.39 -0.25 0.00 -1.36 0.00 0.00 55.97 55.75 3dy3 s LYS 107 Cb 0.00 -2.70 -0.08 0.00 -1.68 0.00 0.00 37.83 33.37 3dy3 s LYS 107 CO 0.00 0.13 1.38 0.20 -0.76 0.00 0.00 175.35 176.30 3dy3 s GLY 108 N -1.60 2.91 -0.07 -3.33 0.00 -0.94 -0.80 107.32 103.48 3dy3 s GLY 108 Ca 0.53 1.37 -0.07 0.00 0.00 0.00 0.00 44.72 46.55 3dy3 s GLY 108 CO 0.25 1.96 0.20 0.00 0.00 0.00 0.00 173.10 175.51 3dy3 s ALA 109 N -1.24 -0.48 -0.02 3.20 0.00 0.40 -4.73 121.76 118.89 3dy3 s ALA 109 Ca 0.61 0.58 0.02 0.00 0.00 0.00 0.00 51.96 53.17 3dy3 s ALA 109 Cb -0.41 -0.34 0.00 0.00 0.00 0.00 0.00 23.12 22.37 3dy3 s ALA 109 CO 0.53 -0.10 -0.08 0.08 0.00 0.00 0.00 175.76 176.19 3dy3 s VAL 110 N 0.18 0.70 -0.06 0.00 1.01 -1.23 -1.49 120.40 119.51 3dy3 s VAL 110 Ca -0.01 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 61.69 3dy3 s VAL 110 Cb -0.02 -0.63 0.01 0.00 0.00 0.00 0.00 36.38 35.74 3dy3 s VAL 110 CO -0.00 0.22 -0.16 -0.31 0.00 0.00 0.00 175.10 174.85 3dy3 s TYR 111 N 0.20 1.71 -0.02 5.22 2.02 -0.31 -0.02 117.35 126.15 3dy3 s TYR 111 Ca -0.03 -0.61 0.08 0.00 -0.37 0.00 0.00 57.07 56.14 3dy3 s TYR 111 Cb -0.08 -1.19 -0.02 0.00 -0.40 0.00 0.00 41.96 40.27 3dy3 s TYR 111 CO 0.00 -0.27 -0.25 -1.54 -1.57 0.00 0.00 175.55 171.93 3dy3 s SER 112 N 0.42 2.91 0.44 2.29 1.04 -1.00 -1.15 113.70 118.65 3dy3 s SER 112 Ca -0.12 -0.45 0.07 0.00 0.48 0.00 0.00 55.95 55.92 3dy3 s SER 112 Cb -0.15 -0.34 -0.04 0.00 0.10 0.00 0.00 66.02 65.59 3dy3 s SER 112 CO 0.04 0.30 0.18 -0.36 0.98 0.00 0.00 173.24 174.38 3dy3 s PHE 113 N -0.57 2.43 0.25 5.02 0.40 0.14 -2.52 117.98 123.13 3dy3 s PHE 113 Ca 0.09 -0.65 0.05 0.00 -0.60 0.00 0.00 56.93 55.82 3dy3 s PHE 113 Cb -0.10 -1.91 -0.03 0.00 0.51 0.00 0.00 43.02 41.49 3dy3 s PHE 113 CO -0.01 0.14 0.37 0.34 0.70 0.00 0.00 175.22 176.76 3dy3 s ASP 114 N -3.93 6.27 0.60 1.36 3.68 0.62 -4.02 116.67 121.25 3dy3 s ASP 114 Ca 0.37 0.03 0.38 0.00 2.13 0.00 0.00 52.55 55.46 3dy3 s ASP 114 Cb 0.03 -1.77 1.83 0.00 -1.45 0.00 0.00 42.92 41.57 3dy3 s ASP 114 CO 0.20 -0.12 2.15 -0.65 0.13 0.00 0.00 175.17 176.89 3dy3 h PRO 115 N 1.13 0.00 -0.34 4.34 0.11 -1.86 -2.66 132.00 132.73 3dy3 h PRO 115 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3dy3 h PRO 115 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3dy3 h PRO 115 CO 0.60 0.00 0.00 1.33 -0.21 0.00 0.00 178.00 179.72 3dy3 n VAL 116 N -3.07 1.30 0.00 3.15 0.24 -1.26 -4.11 118.33 114.57 3dy3 n VAL 116 Ca -0.01 -1.19 0.00 0.00 -2.04 0.00 0.00 64.34 61.10 3dy3 n VAL 116 Cb 0.20 0.33 0.00 0.00 -1.47 0.00 0.00 33.84 32.90 3dy3 n VAL 116 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3dy3 n GLY 117 N 0.34 2.24 3.76 7.63 0.00 -1.00 -3.43 105.19 114.73 3dy3 n GLY 117 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3dy3 n GLY 117 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dy3 s SER 118 N -1.79 6.35 0.01 1.61 0.15 -1.26 -4.60 113.70 114.16 3dy3 s SER 118 Ca 0.00 3.01 -0.09 0.00 0.70 0.00 0.00 55.95 59.57 3dy3 s SER 118 Cb 0.00 -2.65 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 3dy3 s SER 118 CO 0.00 -0.90 0.18 -0.72 1.20 0.00 0.00 173.24 172.99 3dy3 s TYR 119 N -0.51 0.01 0.01 3.44 -0.85 -1.26 -0.27 117.35 117.92 3dy3 s TYR 119 Ca 0.59 -0.11 -0.04 0.00 -0.52 0.00 0.00 57.07 56.98 3dy3 s TYR 119 Cb -0.47 -0.02 -0.01 0.00 0.38 0.00 0.00 41.96 41.84 3dy3 s TYR 119 CO 0.55 -0.34 0.07 -2.00 -1.52 0.00 0.00 175.55 172.32 3dy3 s GLU 120 N -1.66 0.39 0.16 -3.49 2.56 -1.05 -5.01 118.70 110.61 3dy3 s GLU 120 Ca -0.12 -0.42 -0.20 0.00 0.00 0.00 0.00 54.97 54.23 3dy3 s GLU 120 Cb -0.06 0.15 -0.08 0.00 2.00 0.00 0.00 34.13 36.15 3dy3 s GLU 120 CO 0.01 -0.08 0.66 0.50 -0.56 0.00 0.00 175.26 175.79 3dy3 s ARG 121 N -1.27 4.25 0.11 4.30 3.52 -1.26 -2.36 118.95 126.24 3dy3 s ARG 121 Ca -0.14 0.83 -0.04 0.00 -0.13 0.00 0.00 55.73 56.25 3dy3 s ARG 121 Cb -0.08 -3.05 -0.03 0.00 -1.56 0.00 0.00 34.95 30.23 3dy3 s ARG 121 CO 0.01 0.51 0.10 -1.21 -0.81 0.00 0.00 175.30 173.89 3dy3 s GLU 122 N -1.59 0.89 -0.02 5.12 2.02 0.97 -4.98 118.70 121.11 3dy3 s GLU 122 Ca 0.37 -1.28 -0.24 0.00 0.02 0.00 0.00 54.97 53.84 3dy3 s GLU 122 Cb -0.18 0.27 -0.20 0.00 0.10 0.00 0.00 34.13 34.12 3dy3 s GLU 122 CO 0.21 -0.26 1.17 0.37 0.02 0.00 0.00 175.26 176.77 3dy3 h GLN 123 N 2.85 0.15 -2.33 1.61 5.75 -1.93 -3.27 115.11 117.95 3dy3 h GLN 123 Ca -0.34 -0.11 -0.06 0.00 -0.15 0.00 0.00 58.65 57.99 3dy3 h GLN 123 Cb 1.19 0.02 -0.18 0.00 1.07 0.00 0.00 27.48 29.58 3dy3 h GLN 123 CO 0.58 0.74 0.12 0.00 -2.65 0.00 0.00 178.83 177.62 3dy3 s ARG 125 N -1.64 0.61 -0.02 0.00 6.06 0.87 -4.99 118.95 119.84 3dy3 s ARG 125 Ca -0.09 0.99 -0.01 0.00 -2.50 0.00 0.00 55.73 54.12 3dy3 s ARG 125 Cb -0.01 0.14 -0.04 0.00 0.06 0.00 0.00 34.95 35.11 3dy3 s ARG 125 CO 0.05 -0.14 0.06 0.00 -2.50 0.00 0.00 175.30 172.78 3dy3 s ALA 126 N 1.22 3.50 0.03 6.12 0.00 -1.26 -0.45 121.76 130.92 3dy3 s ALA 126 Ca -0.07 -0.86 0.01 0.00 0.00 0.00 0.00 51.96 51.03 3dy3 s ALA 126 Cb -0.06 -1.54 -0.02 0.00 0.00 0.00 0.00 23.12 21.50 3dy3 s ALA 126 CO -0.12 0.66 -0.04 0.20 0.00 0.00 0.00 175.76 176.46 3dy3 s GLY 127 N -1.53 0.31 0.00 0.00 0.00 0.17 -4.83 107.32 101.43 3dy3 s GLY 127 Ca 0.20 -0.64 0.00 0.00 0.00 0.00 0.00 44.72 44.29 3dy3 s GLY 127 CO 0.11 -0.70 0.00 0.61 0.00 0.00 0.00 173.10 173.12 3dy3 n GLY 128 N 1.56 -1.18 0.34 0.20 0.00 -1.26 0.93 105.19 105.77 3dy3 n GLY 128 Ca -0.24 -2.10 -0.10 0.00 0.00 0.00 0.00 46.02 43.58 3dy3 n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dy3 h ALA 129 N 0.00 -0.66 -0.35 4.61 0.00 -1.29 -2.70 119.26 118.87 3dy3 h ALA 129 Ca 0.00 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3dy3 h ALA 129 Cb 0.00 1.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 3dy3 h ALA 129 CO 0.00 -0.86 0.10 0.00 0.00 0.00 0.00 179.25 178.49 3dy3 n ALA 130 N -2.98 3.46 -0.23 0.00 0.00 -1.26 -4.44 120.51 115.06 3dy3 n ALA 130 Ca -0.03 -1.11 -0.03 0.00 0.00 0.00 0.00 53.44 52.27 3dy3 n ALA 130 Cb 0.25 -1.11 0.08 0.00 0.00 0.00 0.00 19.45 18.67 3dy3 n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dy3 h ALA 131 N 2.59 0.86 0.00 0.00 0.00 -1.74 0.11 119.26 121.08 3dy3 h ALA 131 Ca 0.09 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3dy3 h ALA 131 Cb 1.45 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 3dy3 h ALA 131 CO 0.34 0.12 -0.00 0.66 0.00 0.00 0.00 179.25 180.37 3dy3 h SER 132 N 0.76 0.00 0.44 0.00 4.64 -1.83 0.05 113.55 117.61 3dy3 h SER 132 Ca 0.27 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.29 3dy3 h SER 132 Cb 0.07 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.14 3dy3 h SER 132 CO -0.13 0.00 -1.64 -0.07 -0.87 0.00 0.00 176.83 174.12 3dy3 h LEU 133 N 0.00 0.24 0.12 5.97 4.07 -1.41 -3.41 115.31 120.90 3dy3 h LEU 133 Ca -0.00 -0.41 -0.29 0.00 0.08 0.00 0.00 57.88 57.25 3dy3 h LEU 133 Cb 0.33 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 41.99 3dy3 h LEU 133 CO 0.00 1.36 -1.51 0.40 -1.08 0.00 0.00 178.44 177.60 3dy3 h ILE 134 N 0.04 0.96 -0.43 1.22 2.04 -0.63 -3.39 117.51 117.32 3dy3 h ILE 134 Ca -0.28 -2.39 0.09 0.00 1.00 0.00 0.00 64.86 63.28 3dy3 h ILE 134 Cb 2.00 2.66 -0.09 0.00 -0.74 0.00 0.00 36.82 40.65 3dy3 h ILE 134 CO 0.12 0.72 -0.20 0.24 0.00 0.00 0.00 178.15 179.03 3dy3 h MET 135 N -0.25 -0.11 -0.99 2.37 2.86 -1.22 -0.31 114.93 117.27 3dy3 h MET 135 Ca -0.33 0.01 0.16 0.00 -2.06 0.00 0.00 59.70 57.49 3dy3 h MET 135 Cb 1.80 0.02 -0.09 0.00 0.06 0.00 0.00 31.60 33.40 3dy3 h MET 135 CO 0.06 -0.07 0.62 -1.35 1.06 0.00 0.00 176.91 177.22 3dy3 h PRO 136 N -0.11 0.79 -0.07 -0.22 0.11 -1.78 0.24 132.00 130.95 3dy3 h PRO 136 Ca 0.21 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.27 3dy3 h PRO 136 Cb 0.44 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.37 3dy3 h PRO 136 CO -0.51 0.52 0.03 0.35 -0.21 0.00 0.00 178.00 178.19 3dy3 h PHE 137 N 0.81 0.11 -0.15 0.65 3.57 -1.31 -2.34 116.94 118.27 3dy3 h PHE 137 Ca 0.53 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.99 3dy3 h PHE 137 Cb 0.77 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 3dy3 h PHE 137 CO -0.00 0.19 -0.11 -0.07 -2.23 0.00 0.00 178.31 176.10 3dy3 h LEU 138 N -0.01 0.21 -0.90 0.59 4.07 0.32 0.11 115.31 119.70 3dy3 h LEU 138 Ca 0.02 -0.04 -0.06 0.00 0.08 0.00 0.00 57.88 57.89 3dy3 h LEU 138 Cb 0.13 -0.06 -0.03 0.00 1.08 0.00 0.00 40.66 41.79 3dy3 h LEU 138 CO -0.00 0.35 0.14 0.44 -1.08 0.00 0.00 178.44 178.29 3dy3 h ASP 139 N 0.22 0.89 0.02 -0.43 3.32 -0.26 -0.87 116.42 119.31 3dy3 h ASP 139 Ca 0.05 -0.18 -0.05 0.00 0.02 0.00 0.00 57.03 56.87 3dy3 h ASP 139 Cb 0.33 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.65 3dy3 h ASP 139 CO 0.02 0.87 -0.20 -1.13 -1.72 0.00 0.00 179.24 177.08 3dy3 h ASN 140 N 0.91 0.14 0.80 6.45 -0.00 -0.83 -1.93 115.58 121.12 3dy3 h ASN 140 Ca 0.19 -0.88 0.00 0.00 -0.00 0.00 0.00 56.30 55.61 3dy3 h ASN 140 Cb 0.34 -0.05 0.00 0.00 -0.00 0.00 0.00 38.32 38.61 3dy3 h ASN 140 CO 0.00 1.01 -0.77 1.56 -0.00 0.00 0.00 177.43 179.24 3dy3 h GLN 141 N -0.70 0.00 0.00 6.67 1.08 -0.86 -2.77 115.11 118.53 3dy3 h GLN 141 Ca -0.03 0.00 -0.26 0.00 -1.45 0.00 0.00 58.65 56.90 3dy3 h GLN 141 Cb 1.06 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.44 3dy3 h GLN 141 CO 0.04 0.00 -2.00 0.28 -0.95 0.00 0.00 178.83 176.20 3dy3 n VAL 142 N -2.17 1.01 -0.21 -0.54 0.31 -0.34 -4.59 118.33 111.79 3dy3 n VAL 142 Ca 0.02 -0.47 0.05 0.00 -0.01 0.00 0.00 64.34 63.94 3dy3 n VAL 142 Cb 0.46 -0.95 0.15 0.00 -0.91 0.00 0.00 33.84 32.58 3dy3 n VAL 142 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3dy3 n ASN 143 N -2.84 2.92 -3.24 4.52 3.02 -1.18 -4.98 115.26 113.47 3dy3 n ASN 143 Ca -0.29 -2.06 -0.20 0.00 -0.03 0.00 0.00 54.58 52.00 3dy3 n ASN 143 Cb 0.88 -0.23 -0.01 0.00 -0.61 0.00 0.00 39.78 39.80 3dy3 n ASN 143 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3dy3 n PHE 144 N 0.38 -1.70 -1.83 3.10 3.72 -1.05 -4.90 117.46 115.19 3dy3 n PHE 144 Ca 0.11 0.35 -0.40 0.00 -0.05 0.00 0.00 57.45 57.46 3dy3 n PHE 144 Cb 0.44 -2.36 0.02 0.00 -0.94 0.00 0.00 39.48 36.64 3dy3 n PHE 144 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3dy3 s LYS 14 N -5.86 3.64 -0.62 -1.08 -0.14 -0.73 -2.39 119.74 112.56 3dy3 s LYS 14 Ca 0.33 2.36 0.00 0.00 -1.36 0.00 0.00 55.97 57.30 3dy3 s LYS 14 Cb -0.18 -2.61 0.00 0.00 -1.68 0.00 0.00 37.83 33.36 3dy3 s LYS 14 CO 0.41 -0.83 0.00 0.09 -0.76 0.00 0.00 175.35 174.26 3dy3 n ASN 14 N -0.27 -5.71 -4.55 2.83 4.13 -1.26 -4.65 115.26 105.78 3dy3 n ASN 14 Ca 0.06 0.14 -0.34 0.00 1.68 0.00 0.00 54.58 56.12 3dy3 n ASN 14 Cb 0.42 -3.73 -0.11 0.00 -1.54 0.00 0.00 39.78 34.83 3dy3 n ASN 14 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 3dy3 s GLN 14 N -2.42 3.68 0.34 3.52 -0.21 -1.01 -5.08 119.66 118.48 3dy3 s GLN 14 Ca 0.00 -0.47 0.06 0.00 0.02 0.00 0.00 55.36 54.98 3dy3 s GLN 14 Cb 0.00 -2.97 -0.07 0.00 1.00 0.00 0.00 33.01 30.97 3dy3 s GLN 14 CO 0.00 0.30 -0.01 0.71 -2.12 0.00 0.00 175.29 174.17 3dy3 s TYR 14 N 0.23 2.20 -0.12 0.91 2.02 -1.26 -1.24 117.35 120.09 3dy3 s TYR 14 Ca -0.01 -0.73 -0.30 0.00 -0.37 0.00 0.00 57.07 55.67 3dy3 s TYR 14 Cb -0.13 -1.41 -0.02 0.00 -0.40 0.00 0.00 41.96 40.00 3dy3 s TYR 14 CO 0.02 0.30 1.18 -1.21 -1.57 0.00 0.00 175.55 174.27 3dy3 s GLU 14 N -3.75 4.31 0.30 -0.62 0.41 0.17 -4.64 118.70 114.88 3dy3 s GLU 14 Ca 0.34 1.60 -0.29 0.00 -0.41 0.00 0.00 54.97 56.20 3dy3 s GLU 14 Cb 0.07 -3.63 -0.12 0.00 -1.78 0.00 0.00 34.13 28.66 3dy3 s GLU 14 CO 0.15 -0.53 1.40 -2.30 -0.49 0.00 0.00 175.26 173.49 3dy3 n PRO 14 N 5.75 2.24 0.00 0.39 -0.02 -1.26 -1.65 135.00 140.46 3dy3 n PRO 14 Ca 0.12 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 3dy3 n PRO 14 Cb 0.46 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 3dy3 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dy3 n GLY 14 N 1.41 2.94 0.07 -1.23 0.00 -1.26 -4.82 105.19 102.30 3dy3 n GLY 14 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3dy3 n GLY 14 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3dy3 n THR 14 N -2.00 0.03 -3.54 2.61 -2.24 -0.66 -4.86 114.28 103.63 3dy3 n THR 14 Ca 0.00 -0.02 -0.19 0.00 -2.27 0.00 0.00 64.05 61.56 3dy3 n THR 14 Cb 0.00 -0.03 0.07 0.00 -2.10 0.00 0.00 70.33 68.27 3dy3 n THR 14 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3dy3 n ASN 1 N -0.41 -2.41 -4.33 3.42 4.05 -1.26 -2.08 115.26 112.24 3dy3 n ASN 1 Ca 0.01 -0.67 -0.34 0.00 0.45 0.00 0.00 54.58 54.03 3dy3 n ASN 1 Cb 0.04 -4.80 -0.08 0.00 1.23 0.00 0.00 39.78 36.17 3dy3 n ASN 1 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3dy3 n GLY 14 N -1.36 -0.22 0.00 8.20 0.00 -1.26 -4.78 105.19 105.77 3dy3 n GLY 14 Ca -0.25 0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3dy3 n GLY 14 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dy3 n LYS 14 N -4.42 0.68 -2.75 1.61 4.76 -0.88 -5.06 118.16 112.09 3dy3 n LYS 14 Ca -0.19 -0.01 -0.12 0.00 -2.87 0.00 0.00 58.31 55.12 3dy3 n LYS 14 Cb 0.62 -1.03 -0.01 0.00 -1.84 0.00 0.00 35.03 32.77 3dy3 n LYS 14 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3dy3 n VAL 14 N -1.62 0.00 -4.16 -0.18 0.31 -1.26 -5.06 118.33 106.36 3dy3 n VAL 14 Ca -0.00 -0.92 -0.34 0.00 -0.01 0.00 0.00 64.34 63.07 3dy3 n VAL 14 Cb 0.11 -0.06 -0.10 0.00 -0.91 0.00 0.00 33.84 32.88 3dy3 n VAL 14 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3dy3 s LYS 14 N -2.82 3.80 0.32 5.55 2.20 -0.37 0.42 119.74 128.85 3dy3 s LYS 14 Ca 0.06 -0.40 -0.29 0.00 -0.36 0.00 0.00 55.97 54.98 3dy3 s LYS 14 Cb -0.00 -3.09 -0.12 0.00 -1.51 0.00 0.00 37.83 33.11 3dy3 s LYS 14 CO 0.04 0.31 1.41 -0.35 -0.36 0.00 0.00 175.35 176.40 3dy3 n PRO 14 N 3.40 2.34 -0.17 4.03 -0.04 -1.26 -4.89 135.00 138.40 3dy3 n PRO 14 Ca -0.17 0.82 0.00 0.00 -0.04 0.00 0.00 63.50 64.11 3dy3 n PRO 14 Cb 0.52 -2.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.49 3dy3 n PRO 14 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3dy3 n LEU 14 N 1.22 3.13 -4.51 1.53 4.77 -1.26 -4.95 117.00 116.94 3dy3 n LEU 14 Ca 0.06 -1.47 -0.52 0.00 -0.03 0.00 0.00 56.01 54.04 3dy3 n LEU 14 Cb 0.36 -0.61 -0.05 0.00 -2.33 0.00 0.00 43.42 40.79 3dy3 n LEU 14 CO 0.63 0.56 0.49 1.17 -1.33 0.00 0.00 177.39 178.92 3dy3 n LYS 14 N 1.07 0.46 -3.28 3.23 4.81 -1.26 -4.87 118.16 118.32 3dy3 n LYS 14 Ca 0.00 0.17 -0.33 0.00 -0.87 0.00 0.00 58.31 57.27 3dy3 n LYS 14 Cb 0.39 -1.55 -0.06 0.00 0.02 0.00 0.00 35.03 33.83 3dy3 n LYS 14 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 3dy3 s TYR 145 N -0.30 3.49 0.50 5.64 6.14 -1.26 -5.06 117.35 126.50 3dy3 s TYR 145 Ca 0.78 1.09 -0.19 0.00 0.64 0.00 0.00 57.07 59.39 3dy3 s TYR 145 Cb -1.02 -2.41 -0.08 0.00 0.42 0.00 0.00 41.96 38.87 3dy3 s TYR 145 CO 0.55 0.27 1.01 -0.51 0.64 0.00 0.00 175.55 177.51 3dy3 s LEU 146 N -2.53 3.75 0.26 6.97 1.43 -1.26 -5.06 118.68 122.24 3dy3 s LEU 146 Ca 0.46 1.79 0.03 0.00 -1.03 0.00 0.00 54.13 55.38 3dy3 s LEU 146 Cb -0.13 -4.54 -0.03 0.00 0.03 0.00 0.00 46.19 41.52 3dy3 s LEU 146 CO 0.20 -0.74 0.41 -0.94 0.23 0.00 0.00 176.35 175.50 3dy3 s SER 147 N -2.41 6.32 0.37 2.29 1.04 -1.26 -4.52 113.70 115.53 3dy3 s SER 147 Ca 0.64 0.19 0.13 0.00 0.48 0.00 0.00 55.95 57.39 3dy3 s SER 147 Cb -0.13 -1.91 0.94 0.00 0.10 0.00 0.00 66.02 65.01 3dy3 s SER 147 CO 0.24 -0.12 1.83 1.62 0.98 0.00 0.00 173.24 177.79 3dy3 h VAL 148 N 1.10 0.71 -0.48 5.02 3.04 -1.99 0.14 116.25 123.79 3dy3 h VAL 148 Ca -0.51 -0.19 -0.12 0.00 -1.01 0.00 0.00 66.70 64.87 3dy3 h VAL 148 Cb 1.22 0.10 -0.01 0.00 -2.01 0.00 0.00 31.29 30.59 3dy3 h VAL 148 CO 0.62 0.10 -0.15 -0.33 -1.01 0.00 0.00 177.57 176.80 3dy3 h GLU 149 N 0.56 0.95 -0.36 4.17 3.07 -1.99 -0.83 114.58 120.15 3dy3 h GLU 149 Ca 0.50 -0.38 -0.09 0.00 -0.50 0.00 0.00 59.36 58.90 3dy3 h GLU 149 Cb 1.03 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.88 3dy3 h GLU 149 CO -0.24 1.04 -0.10 1.49 -1.40 0.00 0.00 179.01 179.80 3dy3 h GLU 150 N 0.80 0.71 0.20 2.33 4.57 -1.41 -2.87 114.58 118.92 3dy3 h GLU 150 Ca 0.12 -0.28 -0.00 0.00 -1.18 0.00 0.00 59.36 58.01 3dy3 h GLU 150 Cb 0.71 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.26 3dy3 h GLU 150 CO 0.05 0.88 -0.16 0.28 -1.18 0.00 0.00 179.01 178.88 3dy3 h VAL 151 N 0.51 0.66 -0.16 0.32 2.07 -0.70 -2.05 116.25 116.90 3dy3 h VAL 151 Ca 0.09 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.66 3dy3 h VAL 151 Cb 0.62 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 3dy3 h VAL 151 CO 0.04 0.00 0.22 0.40 0.02 0.00 0.00 177.57 178.25 3dy3 h ILE 152 N -0.37 0.36 -0.10 4.57 2.04 -1.12 -0.42 117.51 122.47 3dy3 h ILE 152 Ca -0.01 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.75 3dy3 h ILE 152 Cb 0.33 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 3dy3 h ILE 152 CO -0.01 0.00 -0.33 0.11 0.00 0.00 0.00 178.15 177.92 3dy3 h LYS 153 N 0.00 0.40 -0.59 2.37 1.57 -1.14 -1.94 116.57 117.23 3dy3 h LYS 153 Ca 0.08 -0.30 -0.05 0.00 -1.87 0.00 0.00 60.65 58.51 3dy3 h LYS 153 Cb 0.51 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.84 3dy3 h LYS 153 CO -0.00 0.92 0.16 -0.07 -0.57 0.00 0.00 179.45 179.89 3dy3 h LEU 154 N -0.05 0.85 -0.04 2.94 3.38 -0.92 -0.47 115.31 121.01 3dy3 h LEU 154 Ca -0.01 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 3dy3 h LEU 154 Cb 0.96 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 3dy3 h LEU 154 CO 0.07 0.82 0.01 0.58 0.09 0.00 0.00 178.44 180.02 3dy3 h VAL 155 N 0.88 1.15 -0.66 1.22 2.07 -1.10 0.29 116.25 120.09 3dy3 h VAL 155 Ca 0.19 -0.43 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 3dy3 h VAL 155 Cb 0.30 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 3dy3 h VAL 155 CO -0.00 0.12 0.28 0.03 0.02 0.00 0.00 177.57 178.01 3dy3 h ARG 156 N -0.11 0.98 -0.33 1.57 3.08 -1.13 -1.34 114.38 117.09 3dy3 h ARG 156 Ca 0.01 -0.17 -0.11 0.00 0.07 0.00 0.00 59.98 59.78 3dy3 h ARG 156 Cb 0.18 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 3dy3 h ARG 156 CO -0.00 0.81 -0.25 -0.44 -1.07 0.00 0.00 179.97 179.02 3dy3 h ASP 157 N 0.93 0.68 -0.82 7.04 3.45 -0.96 0.42 116.42 127.16 3dy3 h ASP 157 Ca 0.22 -0.25 0.00 0.00 0.43 0.00 0.00 57.03 57.44 3dy3 h ASP 157 Cb 0.19 -0.19 -0.04 0.00 -0.56 0.00 0.00 39.33 38.73 3dy3 h ASP 157 CO -0.02 0.91 0.53 0.28 -1.57 0.00 0.00 179.24 179.37 3dy3 h SER 158 N 0.58 0.95 0.67 6.45 0.02 0.06 -1.02 113.55 121.27 3dy3 h SER 158 Ca 0.08 -0.04 -0.26 0.00 -0.84 0.00 0.00 61.79 60.73 3dy3 h SER 158 Cb 0.74 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 63.04 3dy3 h SER 158 CO 0.06 0.71 -1.17 -0.26 -1.14 0.00 0.00 176.83 175.03 3dy3 h PHE 159 N 1.11 0.41 -0.18 3.45 -1.00 -0.95 -1.88 116.94 117.90 3dy3 h PHE 159 Ca 0.30 -0.29 -0.08 0.00 2.81 0.00 0.00 57.97 60.70 3dy3 h PHE 159 Cb -0.10 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 39.43 3dy3 h PHE 159 CO -0.01 1.21 -0.25 1.79 -1.61 0.00 0.00 178.31 179.44 3dy3 h THR 160 N 0.07 1.25 -0.04 -1.55 1.35 -0.75 0.76 112.91 114.01 3dy3 h THR 160 Ca -0.11 -1.18 -0.01 0.00 -0.55 0.00 0.00 66.41 64.56 3dy3 h THR 160 Cb 1.89 1.40 -0.00 0.00 -1.73 0.00 0.00 68.15 69.71 3dy3 h THR 160 CO 0.19 0.36 -0.03 0.28 -0.25 0.00 0.00 175.52 176.07 3dy3 h SER 161 N 0.29 0.10 -0.30 5.36 0.02 -1.17 -2.78 113.55 115.08 3dy3 h SER 161 Ca 0.05 -0.48 0.03 0.00 -0.84 0.00 0.00 61.79 60.55 3dy3 h SER 161 Cb 0.61 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.09 3dy3 h SER 161 CO 0.04 0.55 0.10 0.00 -1.14 0.00 0.00 176.83 176.38 3dy3 h ALA 162 N 0.55 0.34 -0.36 3.77 0.00 -1.12 -1.10 119.26 121.34 3dy3 h ALA 162 Ca 0.01 0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.06 3dy3 h ALA 162 Cb 0.52 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3dy3 h ALA 162 CO 0.01 -0.30 0.37 1.15 0.00 0.00 0.00 179.25 180.47 3dy3 h THR 163 N 0.23 0.44 0.22 0.00 2.02 -0.84 0.35 112.91 115.33 3dy3 h THR 163 Ca 0.13 0.00 -0.32 0.00 0.77 0.00 0.00 66.41 66.99 3dy3 h THR 163 Cb 0.10 0.71 0.03 0.00 -1.74 0.00 0.00 68.15 67.25 3dy3 h THR 163 CO -0.14 0.00 -1.42 -0.33 0.37 0.00 0.00 175.52 174.00 3dy3 h GLU 164 N 0.00 0.48 -0.01 6.66 4.39 -0.92 -3.39 114.58 121.80 3dy3 h GLU 164 Ca 0.17 -0.82 0.00 0.00 0.34 0.00 0.00 59.36 59.05 3dy3 h GLU 164 Cb 0.90 0.30 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 3dy3 h GLU 164 CO -0.00 1.39 -0.37 0.54 -1.16 0.00 0.00 179.01 179.41 3dy3 n ARG 165 N -3.68 1.85 -4.04 2.33 5.12 -0.44 -4.92 116.66 112.89 3dy3 n ARG 165 Ca -0.15 -0.64 -0.30 0.00 -1.93 0.00 0.00 57.85 54.83 3dy3 n ARG 165 Cb 1.09 -1.22 -0.16 0.00 -1.16 0.00 0.00 32.46 31.00 3dy3 n ARG 165 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 3dy3 s HIS 166 N -1.88 2.18 0.29 -1.55 2.46 0.11 -5.02 115.29 111.89 3dy3 s HIS 166 Ca 0.11 -1.23 0.36 0.00 0.47 0.00 0.00 55.06 54.78 3dy3 s HIS 166 Cb 0.12 -1.60 1.85 0.00 -0.13 0.00 0.00 32.58 32.82 3dy3 s HIS 166 CO 0.41 -0.67 2.10 -0.84 -2.47 0.00 0.00 174.74 173.27 3dy3 h ILE 167 N 6.05 0.00 -0.01 0.89 3.07 -1.88 -2.24 117.51 123.39 3dy3 h ILE 167 Ca -0.38 -0.13 0.00 0.00 1.55 0.00 0.00 64.86 65.90 3dy3 h ILE 167 Cb 1.14 1.01 0.00 0.00 -0.27 0.00 0.00 36.82 38.69 3dy3 h ILE 167 CO 0.53 0.00 -0.39 0.00 -1.05 0.00 0.00 178.15 177.24 3dy3 n GLN 168 N -2.86 0.60 -4.12 0.16 6.02 -1.26 -4.86 117.38 111.06 3dy3 n GLN 168 Ca -0.02 -0.38 -0.34 0.00 -0.01 0.00 0.00 57.00 56.25 3dy3 n GLN 168 Cb 0.13 -1.49 -0.10 0.00 1.02 0.00 0.00 30.24 29.80 3dy3 n GLN 168 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3dy3 s VAL 169 N -2.66 4.60 -4.19 5.09 1.01 -0.85 -4.29 120.40 119.10 3dy3 s VAL 169 Ca 0.19 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.06 3dy3 s VAL 169 Cb 0.18 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.52 3dy3 s VAL 169 CO 0.60 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.80 3dy3 n GLY 170 N 3.27 -0.64 5.00 4.51 0.00 -1.26 -4.37 105.19 111.70 3dy3 n GLY 170 Ca -0.17 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.79 3dy3 n GLY 170 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dy3 n ASP 171 N 0.39 0.00 -3.44 1.61 8.00 -0.49 -4.09 116.55 118.53 3dy3 n ASP 171 Ca 0.00 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.37 3dy3 n ASP 171 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 3dy3 n ASP 171 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3dy3 s GLY 172 N 0.00 -0.60 -0.14 0.44 0.00 -1.26 -0.91 107.32 104.85 3dy3 s GLY 172 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 44.72 45.38 3dy3 s GLY 172 CO 0.00 0.29 -0.11 -2.27 0.00 0.00 0.00 173.10 171.01 3dy3 s LEU 173 N -2.49 1.57 -0.15 0.66 2.96 0.28 -0.26 118.68 121.25 3dy3 s LEU 173 Ca -0.00 -0.47 -0.01 0.00 -0.22 0.00 0.00 54.13 53.43 3dy3 s LEU 173 Cb -0.01 -1.06 -0.01 0.00 0.50 0.00 0.00 46.19 45.61 3dy3 s LEU 173 CO -0.09 -0.09 -0.12 -0.70 -1.32 0.00 0.00 176.35 174.02 3dy3 s GLU 174 N 1.56 3.35 -0.03 1.98 2.12 -0.55 -0.41 118.70 126.72 3dy3 s GLU 174 Ca 0.04 -0.69 0.08 0.00 0.36 0.00 0.00 54.97 54.76 3dy3 s GLU 174 Cb -0.13 -2.68 -0.02 0.00 0.26 0.00 0.00 34.13 31.56 3dy3 s GLU 174 CO -0.10 0.11 -0.25 0.42 -0.54 0.00 0.00 175.26 174.90 3dy3 s ILE 175 N 0.61 2.02 -0.15 -3.70 1.01 0.69 -1.98 121.20 119.70 3dy3 s ILE 175 Ca -0.07 -1.09 0.00 0.00 0.00 0.00 0.00 60.65 59.49 3dy3 s ILE 175 Cb -0.15 -1.68 -0.00 0.00 0.01 0.00 0.00 42.46 40.63 3dy3 s ILE 175 CO 0.03 0.57 -0.15 -0.76 0.00 0.00 0.00 174.94 174.63 3dy3 s LEU 176 N -0.52 2.50 -0.20 2.97 1.02 -0.83 -0.87 118.68 122.76 3dy3 s LEU 176 Ca 0.07 -0.45 -0.04 0.00 0.02 0.00 0.00 54.13 53.73 3dy3 s LEU 176 Cb -0.11 -1.57 -0.02 0.00 0.02 0.00 0.00 46.19 44.52 3dy3 s LEU 176 CO -0.00 0.10 -0.03 -0.63 0.02 0.00 0.00 176.35 175.81 3dy3 s ILE 177 N 0.73 3.66 -0.24 -0.59 1.09 0.11 -1.84 121.20 124.12 3dy3 s ILE 177 Ca -0.07 -0.41 -0.08 0.00 -1.10 0.00 0.00 60.65 58.99 3dy3 s ILE 177 Cb -0.15 -2.64 -0.03 0.00 -1.06 0.00 0.00 42.46 38.57 3dy3 s ILE 177 CO 0.01 0.44 0.08 -0.69 -0.10 0.00 0.00 174.94 174.69 3dy3 s VAL 178 N 1.05 4.57 0.31 2.92 1.01 0.40 -0.93 120.40 129.73 3dy3 s VAL 178 Ca 0.01 -0.09 0.04 0.00 0.00 0.00 0.00 61.98 61.94 3dy3 s VAL 178 Cb -0.15 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 3dy3 s VAL 178 CO 0.01 0.35 0.18 0.42 0.00 0.00 0.00 175.10 176.06 3dy3 s THR 179 N 1.34 0.26 -0.40 3.92 -4.23 -0.48 -1.88 115.64 114.16 3dy3 s THR 179 Ca 0.05 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 58.75 3dy3 s THR 179 Cb -0.15 -2.49 0.18 0.00 1.34 0.00 0.00 72.50 71.39 3dy3 s THR 179 CO 0.04 0.00 1.56 2.29 -0.54 0.00 0.00 174.62 177.97 3dy3 n LYS 180 N -0.60 0.12 -0.03 3.99 2.85 -1.26 -1.07 118.16 122.16 3dy3 n LYS 180 Ca 0.02 0.57 0.13 0.00 -1.05 0.00 0.00 58.31 57.97 3dy3 n LYS 180 Cb 0.64 -1.85 0.37 0.00 -0.65 0.00 0.00 35.03 33.54 3dy3 n LYS 180 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3dy3 n ASP 182 N -2.10 2.04 0.00 -5.58 8.00 -1.26 -5.05 116.55 112.59 3dy3 n ASP 182 Ca -0.00 -1.70 0.00 0.00 0.71 0.00 0.00 54.79 53.80 3dy3 n ASP 182 Cb 0.07 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 3dy3 n ASP 182 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dy3 n GLY 183 N 1.23 0.45 3.40 0.44 0.00 -0.23 -5.02 105.19 105.46 3dy3 n GLY 183 Ca 0.17 -2.17 -0.33 0.00 0.00 0.00 0.00 46.02 43.69 3dy3 n GLY 183 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dy3 s VAL 184 N -0.18 3.15 0.04 1.61 1.01 -1.26 -1.38 120.40 123.39 3dy3 s VAL 184 Ca 0.00 -0.63 0.09 0.00 0.00 0.00 0.00 61.98 61.43 3dy3 s VAL 184 Cb 0.00 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 3dy3 s VAL 184 CO 0.00 0.53 -0.25 -0.60 0.00 0.00 0.00 175.10 174.78 3dy3 s ARG 185 N 0.22 1.73 0.11 2.72 3.52 -0.11 -4.94 118.95 122.21 3dy3 s ARG 185 Ca -0.08 -1.05 0.06 0.00 -0.13 0.00 0.00 55.73 54.53 3dy3 s ARG 185 Cb -0.15 -1.87 -0.04 0.00 -1.56 0.00 0.00 34.95 31.33 3dy3 s ARG 185 CO 0.05 0.49 -0.02 0.15 -0.81 0.00 0.00 175.30 175.16 3dy3 s LYS 186 N -1.16 2.44 -0.03 5.12 1.02 -1.26 0.04 119.74 125.92 3dy3 s LYS 186 Ca 0.11 -0.93 -0.05 0.00 0.02 0.00 0.00 55.97 55.12 3dy3 s LYS 186 Cb -0.10 -2.46 0.01 0.00 -0.52 0.00 0.00 37.83 34.76 3dy3 s LYS 186 CO 0.02 0.51 0.12 -1.21 -0.92 0.00 0.00 175.35 173.87 3dy3 s GLU 187 N -2.45 0.25 -0.02 1.68 2.02 -0.05 -4.99 118.70 115.15 3dy3 s GLU 187 Ca 0.25 -0.04 0.01 0.00 0.02 0.00 0.00 54.97 55.22 3dy3 s GLU 187 Cb -0.11 0.11 0.01 0.00 0.10 0.00 0.00 34.13 34.24 3dy3 s GLU 187 CO 0.18 -0.05 -0.04 0.12 0.02 0.00 0.00 175.26 175.49 3dy3 s PHE 188 N -0.44 0.52 0.00 1.61 5.36 -1.26 -0.22 117.98 123.55 3dy3 s PHE 188 Ca -0.05 -0.10 0.03 0.00 -0.96 0.00 0.00 56.93 55.84 3dy3 s PHE 188 Cb -0.03 -0.41 -0.01 0.00 -0.34 0.00 0.00 43.02 42.22 3dy3 s PHE 188 CO 0.00 -0.07 -0.09 0.71 -1.46 0.00 0.00 175.22 174.31 3dy3 s TYR 189 N 0.30 0.84 0.55 10.12 1.51 0.46 -4.98 117.35 126.15 3dy3 s TYR 189 Ca -0.03 -0.21 -0.16 0.00 -1.01 0.00 0.00 57.07 55.66 3dy3 s TYR 189 Cb -0.07 -0.53 -0.06 0.00 -0.11 0.00 0.00 41.96 41.20 3dy3 s TYR 189 CO -0.00 -0.01 1.03 -1.21 -1.11 0.00 0.00 175.55 174.24 3dy3 s GLU 190 N -0.46 3.60 0.16 -0.62 0.41 -1.26 0.10 118.70 120.63 3dy3 s GLU 190 Ca 0.02 1.12 0.06 0.00 -0.41 0.00 0.00 54.97 55.76 3dy3 s GLU 190 Cb -0.05 -2.08 -0.04 0.00 -1.78 0.00 0.00 34.13 30.18 3dy3 s GLU 190 CO -0.00 -0.57 -0.12 -0.51 -0.49 0.00 0.00 175.26 173.57 3dy3 s LEU 191 N -4.25 2.52 0.29 1.80 1.43 -0.09 -4.72 118.68 115.67 3dy3 s LEU 191 Ca 0.62 -0.99 -0.29 0.00 -1.03 0.00 0.00 54.13 52.44 3dy3 s LEU 191 Cb -0.14 -0.48 -0.13 0.00 0.03 0.00 0.00 46.19 45.47 3dy3 s LEU 191 CO 0.33 -0.25 1.32 0.29 0.23 0.00 0.00 176.35 178.27 3dy3 n LYS 192 N -0.16 2.04 -0.33 1.70 5.02 -1.26 -3.17 118.16 122.00 3dy3 n LYS 192 Ca -0.10 0.72 0.08 0.00 -2.02 0.00 0.00 58.31 56.99 3dy3 n LYS 192 Cb 0.60 -2.32 0.25 0.00 -0.02 0.00 0.00 35.03 33.54 3dy3 n LYS 192 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3dy3 n ARG 193 N 1.20 2.47 0.00 1.97 1.74 -1.26 -1.40 116.66 121.37 3dy3 n ARG 193 Ca 0.08 -2.00 0.14 0.00 -0.77 0.00 0.00 57.85 55.31 3dy3 n ARG 193 Cb 0.34 -1.51 0.63 0.00 -1.02 0.00 0.00 32.46 30.90 3dy3 n ARG 193 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71