#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dk2 n PRO 11 N 0.00 0.67 -3.73 0.00 -0.04 -1.26 -4.74 135.00 125.90 3dk2 n PRO 11 Ca 0.00 -0.30 -0.18 0.00 -0.04 0.00 0.00 63.50 62.98 3dk2 n PRO 11 Cb 0.00 -1.49 -0.17 0.00 -0.04 0.00 0.00 33.50 31.79 3dk2 n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3dk2 s LEU 12 N -2.54 0.57 0.06 1.53 2.96 -1.26 0.15 118.68 120.15 3dk2 s LEU 12 Ca 0.25 0.05 0.01 0.00 -0.22 0.00 0.00 54.13 54.22 3dk2 s LEU 12 Cb 0.20 -0.14 -0.03 0.00 0.50 0.00 0.00 46.19 46.71 3dk2 s LEU 12 CO 0.51 -0.19 -0.06 -0.32 -1.32 0.00 0.00 176.35 174.97 3dk2 s MET 13 N 1.69 0.64 -0.03 1.98 1.75 0.25 -4.38 119.30 121.21 3dk2 s MET 13 Ca -0.01 -1.07 0.03 0.00 -1.25 0.00 0.00 55.69 53.39 3dk2 s MET 13 Cb -0.12 -0.10 0.00 0.00 2.84 0.00 0.00 34.83 37.44 3dk2 s MET 13 CO -0.03 -0.02 -0.11 0.08 -0.65 0.00 0.00 175.02 174.28 3dk2 s VAL 14 N -2.81 0.96 -0.05 10.11 1.01 -1.12 -0.76 120.40 127.74 3dk2 s VAL 14 Ca 0.01 -0.47 -0.00 0.00 0.00 0.00 0.00 61.98 61.53 3dk2 s VAL 14 Cb -0.00 -0.84 0.03 0.00 0.00 0.00 0.00 36.38 35.56 3dk2 s VAL 14 CO -0.04 0.29 -0.01 -0.75 0.00 0.00 0.00 175.10 174.60 3dk2 s LYS 15 N 0.11 0.53 -0.11 2.72 2.20 0.21 -1.06 119.74 124.33 3dk2 s LYS 15 Ca -0.03 0.07 0.02 0.00 -0.36 0.00 0.00 55.97 55.67 3dk2 s LYS 15 Cb -0.09 -0.77 -0.01 0.00 -1.51 0.00 0.00 37.83 35.45 3dk2 s LYS 15 CO 0.01 -0.21 -0.19 0.08 -0.36 0.00 0.00 175.35 174.69 3dk2 s VAL 16 N 1.47 2.55 0.04 4.02 1.01 -0.21 0.68 120.40 129.96 3dk2 s VAL 16 Ca -0.03 -0.84 0.08 0.00 0.00 0.00 0.00 61.98 61.19 3dk2 s VAL 16 Cb -0.13 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 3dk2 s VAL 16 CO -0.03 0.54 -0.23 -0.76 0.00 0.00 0.00 175.10 174.62 3dk2 s LEU 17 N 0.33 2.16 -0.38 3.92 1.43 0.06 -0.97 118.68 125.24 3dk2 s LEU 17 Ca -0.15 -0.54 -0.17 0.00 -1.03 0.00 0.00 54.13 52.24 3dk2 s LEU 17 Cb -0.17 -1.11 0.00 0.00 0.03 0.00 0.00 46.19 44.95 3dk2 s LEU 17 CO 0.07 0.20 0.45 -0.62 0.23 0.00 0.00 176.35 176.69 3dk2 s ASP 18 N -1.17 6.23 0.03 2.29 -1.08 0.83 -0.43 116.67 123.37 3dk2 s ASP 18 Ca 0.09 -0.33 0.21 0.00 -0.52 0.00 0.00 52.55 52.00 3dk2 s ASP 18 Cb -0.09 -2.23 0.90 0.00 -1.46 0.00 0.00 42.92 40.03 3dk2 s ASP 18 CO 0.02 -0.49 1.68 0.00 0.52 0.00 0.00 175.17 176.90 3dk2 n ALA 19 N 5.62 1.96 -0.11 3.66 0.00 0.05 -0.05 120.51 131.65 3dk2 n ALA 19 Ca -0.07 -0.06 -0.24 0.00 0.00 0.00 0.00 53.44 53.07 3dk2 n ALA 19 Cb 0.48 -1.35 -0.11 0.00 0.00 0.00 0.00 19.45 18.47 3dk2 n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3dk2 n VAL 20 N -1.58 1.55 0.76 0.00 0.31 -1.26 -4.38 118.33 113.73 3dk2 n VAL 20 Ca 0.05 -0.24 0.12 0.00 -0.01 0.00 0.00 64.34 64.26 3dk2 n VAL 20 Cb 0.25 -1.93 0.21 0.00 -0.91 0.00 0.00 33.84 31.46 3dk2 n VAL 20 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3dk2 n ARG 21 N -4.22 0.16 -3.32 5.55 1.74 -1.19 -4.95 116.66 110.42 3dk2 n ARG 21 Ca -0.41 0.04 -0.16 0.00 -0.77 0.00 0.00 57.85 56.55 3dk2 n ARG 21 Cb 0.80 -1.59 0.08 0.00 -1.02 0.00 0.00 32.46 30.73 3dk2 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dk2 n GLY 22 N 1.41 -0.36 3.37 -0.13 0.00 0.93 -5.02 105.19 105.39 3dk2 n GLY 22 Ca 0.04 0.09 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 3dk2 n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dk2 s SER 23 N -4.20 0.04 0.38 1.61 1.04 -1.11 -4.98 113.70 106.48 3dk2 s SER 23 Ca 0.03 -1.00 -0.27 0.00 0.48 0.00 0.00 55.95 55.20 3dk2 s SER 23 Cb -0.00 0.46 -0.09 0.00 0.10 0.00 0.00 66.02 66.48 3dk2 s SER 23 CO 0.68 -0.94 1.23 -2.16 0.98 0.00 0.00 173.24 173.04 3dk2 s PRO 24 N -4.02 4.13 -0.27 4.02 0.04 -1.26 -0.12 135.00 137.53 3dk2 s PRO 24 Ca 0.23 2.01 -0.28 0.00 0.04 0.00 0.00 61.00 63.00 3dk2 s PRO 24 Cb 0.03 -2.82 0.01 0.00 0.04 0.00 0.00 34.50 31.76 3dk2 s PRO 24 CO 0.05 -0.30 1.00 0.00 0.04 0.00 0.00 177.00 177.78 3dk2 s ALA 25 N -1.29 3.61 0.05 8.56 0.00 -0.14 -4.67 121.76 127.88 3dk2 s ALA 25 Ca 0.54 0.00 -0.09 0.00 0.00 0.00 0.00 51.96 52.42 3dk2 s ALA 25 Cb -0.35 -3.53 -0.05 0.00 0.00 0.00 0.00 23.12 19.18 3dk2 s ALA 25 CO 0.45 -1.19 0.35 0.42 0.00 0.00 0.00 175.76 175.78 3dk2 s ILE 26 N 3.28 5.17 -1.15 0.00 1.01 -1.26 -3.95 121.20 124.30 3dk2 s ILE 26 Ca 0.42 0.34 -0.04 0.00 0.00 0.00 0.00 60.65 61.37 3dk2 s ILE 26 Cb -0.14 -3.62 0.00 0.00 0.01 0.00 0.00 42.46 38.72 3dk2 s ILE 26 CO 0.10 0.32 0.48 0.59 0.00 0.00 0.00 174.94 176.42 3dk2 n ASN 27 N 0.98 -4.98 -4.70 3.58 5.03 0.08 -4.93 115.26 110.32 3dk2 n ASN 27 Ca -0.09 -0.22 -0.39 0.00 0.87 0.00 0.00 54.58 54.75 3dk2 n ASN 27 Cb 0.52 -3.82 -0.06 0.00 -1.02 0.00 0.00 39.78 35.40 3dk2 n ASN 27 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3dk2 s VAL 28 N -3.03 5.12 0.07 2.41 1.01 -1.26 -4.63 120.40 120.10 3dk2 s VAL 28 Ca 0.24 1.09 -0.30 0.00 0.00 0.00 0.00 61.98 63.00 3dk2 s VAL 28 Cb -0.10 -3.89 -0.05 0.00 0.00 0.00 0.00 36.38 32.34 3dk2 s VAL 28 CO 0.29 0.26 1.06 0.00 0.00 0.00 0.00 175.10 176.71 3dk2 s ALA 29 N 1.00 3.28 -0.04 5.51 0.00 -1.26 0.77 121.76 131.02 3dk2 s ALA 29 Ca 0.28 0.69 0.04 0.00 0.00 0.00 0.00 51.96 52.97 3dk2 s ALA 29 Cb -0.16 -3.36 -0.00 0.00 0.00 0.00 0.00 23.12 19.60 3dk2 s ALA 29 CO 0.12 -0.26 -0.15 0.08 0.00 0.00 0.00 175.76 175.55 3dk2 s VAL 30 N 0.66 1.24 -0.11 0.00 1.01 0.66 -0.63 120.40 123.23 3dk2 s VAL 30 Ca 0.53 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.91 3dk2 s VAL 30 Cb -0.25 -1.07 0.01 0.00 0.00 0.00 0.00 36.38 35.07 3dk2 s VAL 30 CO 0.30 0.36 -0.16 -1.00 0.00 0.00 0.00 175.10 174.61 3dk2 s HIS 31 N 0.08 2.02 -0.13 5.22 3.76 0.15 -2.01 115.29 124.38 3dk2 s HIS 31 Ca -0.04 -0.96 -0.03 0.00 -0.15 0.00 0.00 55.06 53.88 3dk2 s HIS 31 Cb -0.11 -1.45 -0.03 0.00 1.11 0.00 0.00 32.58 32.10 3dk2 s HIS 31 CO 0.02 -0.49 -0.01 0.08 -0.85 0.00 0.00 174.74 173.48 3dk2 s VAL 32 N 1.00 4.17 0.17 -0.90 1.01 0.11 -0.06 120.40 125.89 3dk2 s VAL 32 Ca -0.06 -0.28 0.06 0.00 0.00 0.00 0.00 61.98 61.70 3dk2 s VAL 32 Cb -0.15 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 3dk2 s VAL 32 CO -0.02 0.54 -0.13 -0.36 0.00 0.00 0.00 175.10 175.13 3dk2 s PHE 33 N -0.17 1.49 -0.05 5.22 0.40 0.13 0.43 117.98 125.42 3dk2 s PHE 33 Ca 0.04 -0.65 0.06 0.00 -0.60 0.00 0.00 56.93 55.78 3dk2 s PHE 33 Cb -0.13 -0.72 -0.01 0.00 0.51 0.00 0.00 43.02 42.67 3dk2 s PHE 33 CO 0.02 0.22 -0.23 0.50 0.70 0.00 0.00 175.22 176.43 3dk2 s ARG 34 N -3.61 2.30 -0.38 0.44 3.52 0.49 -0.98 118.95 120.73 3dk2 s ARG 34 Ca 0.19 -0.82 -0.27 0.00 -0.13 0.00 0.00 55.73 54.69 3dk2 s ARG 34 Cb 0.00 -1.97 -0.04 0.00 -1.56 0.00 0.00 34.95 31.38 3dk2 s ARG 34 CO 0.04 0.35 2.05 0.21 -0.81 0.00 0.00 175.30 177.13 3dk2 s LYS 35 N -0.13 2.92 0.56 5.12 2.47 0.14 0.43 119.74 131.23 3dk2 s LYS 35 Ca -0.03 1.45 -0.21 0.00 -1.56 0.00 0.00 55.97 55.62 3dk2 s LYS 35 Cb -0.13 -4.35 -0.05 0.00 -1.46 0.00 0.00 37.83 31.84 3dk2 s LYS 35 CO 0.03 -2.35 1.32 0.00 0.16 0.00 0.00 175.35 174.51 3dk2 n ALA 36 N 12.20 1.42 0.19 3.13 0.00 0.50 -4.76 120.51 133.20 3dk2 n ALA 36 Ca 0.27 0.11 0.18 0.00 0.00 0.00 0.00 53.44 54.00 3dk2 n ALA 36 Cb 0.49 -2.33 0.82 0.00 0.00 0.00 0.00 19.45 18.43 3dk2 n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dk2 h ALA 37 N 1.29 1.80 -0.99 0.00 0.00 -1.92 0.14 119.26 119.57 3dk2 h ALA 37 Ca -0.51 -0.01 -0.63 0.00 0.00 0.00 0.00 54.91 53.77 3dk2 h ALA 37 Cb 1.31 0.02 -0.30 0.00 0.00 0.00 0.00 17.79 18.82 3dk2 h ALA 37 CO 0.56 -0.40 0.80 -0.40 0.00 0.00 0.00 179.25 179.81 3dk2 n ASP 38 N -3.62 6.53 -4.28 0.00 5.75 -1.26 -4.91 116.55 114.76 3dk2 n ASP 38 Ca 0.03 -3.74 -0.33 0.00 -0.01 0.00 0.00 54.79 50.74 3dk2 n ASP 38 Cb 0.41 -0.93 -0.07 0.00 -1.03 0.00 0.00 41.12 39.49 3dk2 n ASP 38 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3dk2 n ASP 39 N -0.99 -0.19 -4.52 -1.12 9.92 0.49 -4.98 116.55 115.17 3dk2 n ASP 39 Ca 0.62 -1.20 -0.25 0.00 -0.53 0.00 0.00 54.79 53.43 3dk2 n ASP 39 Cb 0.96 -1.98 -0.11 0.00 -0.64 0.00 0.00 41.12 39.35 3dk2 n ASP 39 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3dk2 s THR 40 N -4.00 1.48 -0.43 -3.53 -4.23 -1.22 -4.88 115.64 98.83 3dk2 s THR 40 Ca 0.22 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.59 3dk2 s THR 40 Cb -0.13 -2.83 0.04 0.00 1.34 0.00 0.00 72.50 70.92 3dk2 s THR 40 CO 0.98 0.00 0.33 0.26 -0.54 0.00 0.00 174.62 175.64 3dk2 s TRP 41 N -3.05 3.25 -0.23 3.99 0.52 -1.26 0.19 118.94 122.34 3dk2 s TRP 41 Ca 0.34 -0.77 -0.26 0.00 0.02 0.00 0.00 56.10 55.43 3dk2 s TRP 41 Cb 0.09 -2.80 -0.00 0.00 -1.15 0.00 0.00 33.47 29.61 3dk2 s TRP 41 CO 0.16 -0.68 0.89 -1.21 0.02 0.00 0.00 176.95 176.14 3dk2 s GLU 42 N 1.65 4.21 0.32 4.98 2.02 0.17 -4.82 118.70 127.23 3dk2 s GLU 42 Ca 0.04 1.07 -0.28 0.00 0.02 0.00 0.00 54.97 55.83 3dk2 s GLU 42 Cb -0.21 -3.64 -0.13 0.00 0.10 0.00 0.00 34.13 30.25 3dk2 s GLU 42 CO 0.08 -0.54 1.23 -2.30 0.02 0.00 0.00 175.26 173.75 3dk2 n PRO 43 N 6.06 1.93 0.00 0.39 -0.02 -1.26 0.19 135.00 142.28 3dk2 n PRO 43 Ca 0.07 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 3dk2 n PRO 43 Cb 0.47 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 3dk2 n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3dk2 n PHE 44 N 0.43 0.00 -3.81 6.00 7.35 0.17 -4.70 117.46 122.90 3dk2 n PHE 44 Ca 0.06 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.73 3dk2 n PHE 44 Cb 0.35 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.18 3dk2 n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3dk2 s ALA 45 N -1.63 -1.80 -0.23 3.13 0.00 -1.05 -5.00 121.76 115.18 3dk2 s ALA 45 Ca 0.00 0.01 -0.37 0.00 0.00 0.00 0.00 51.96 51.60 3dk2 s ALA 45 Cb 0.00 0.67 0.16 0.00 0.00 0.00 0.00 23.12 23.95 3dk2 s ALA 45 CO 0.00 -1.07 1.41 -1.54 0.00 0.00 0.00 175.76 174.56 3dk2 s SER 46 N -3.23 -0.00 0.00 0.00 1.04 -1.26 -0.72 113.70 109.53 3dk2 s SER 46 Ca 0.18 -0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.61 3dk2 s SER 46 Cb -0.01 0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.12 3dk2 s SER 46 CO 0.02 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.84 3dk2 n GLY 47 N -0.17 0.64 3.52 7.32 0.00 -0.85 -4.98 105.19 110.67 3dk2 n GLY 47 Ca 0.01 -1.12 -0.30 0.00 0.00 0.00 0.00 46.02 44.60 3dk2 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dk2 s LYS 48 N -2.00 2.10 0.72 1.61 1.02 -1.26 -0.25 119.74 121.69 3dk2 s LYS 48 Ca 0.00 -1.00 -0.14 0.00 0.02 0.00 0.00 55.97 54.86 3dk2 s LYS 48 Cb 0.00 -2.26 0.03 0.00 -0.52 0.00 0.00 37.83 35.08 3dk2 s LYS 48 CO 0.00 0.53 1.13 0.95 -0.92 0.00 0.00 175.35 177.03 3dk2 s THR 49 N -1.07 3.00 0.75 2.17 -4.23 0.23 -4.77 115.64 111.72 3dk2 s THR 49 Ca 0.18 0.43 -0.01 0.00 -1.18 0.00 0.00 61.69 61.11 3dk2 s THR 49 Cb -0.11 -2.91 0.15 0.00 1.34 0.00 0.00 72.50 70.97 3dk2 s THR 49 CO 0.09 -0.33 1.03 -0.94 -0.54 0.00 0.00 174.62 173.93 3dk2 s SER 50 N -2.68 4.18 0.43 3.99 1.04 -0.53 -0.74 113.70 119.38 3dk2 s SER 50 Ca 0.67 -0.48 0.28 0.00 0.48 0.00 0.00 55.95 56.90 3dk2 s SER 50 Cb -0.21 0.20 1.38 0.00 0.10 0.00 0.00 66.02 67.49 3dk2 s SER 50 CO 0.47 -1.99 1.64 -0.08 0.98 0.00 0.00 173.24 174.25 3dk2 h GLU 51 N -0.62 0.12 -0.39 4.02 4.57 -1.92 1.26 114.58 121.62 3dk2 h GLU 51 Ca -0.35 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.83 3dk2 h GLU 51 Cb 1.26 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.82 3dk2 h GLU 51 CO 0.37 0.08 0.00 -1.13 -1.18 0.00 0.00 179.01 177.15 3dk2 n SER 52 N -4.70 2.36 -0.57 1.04 3.41 -1.26 -4.74 113.62 109.16 3dk2 n SER 52 Ca 0.36 -1.93 -0.07 0.00 -0.26 0.00 0.00 58.87 56.96 3dk2 n SER 52 Cb 1.36 -0.25 -0.03 0.00 -0.26 0.00 0.00 64.21 65.02 3dk2 n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dk2 n GLY 53 N 1.23 0.94 3.36 5.00 0.00 0.43 -4.80 105.19 111.36 3dk2 n GLY 53 Ca 0.16 -0.56 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 3dk2 n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dk2 s GLU 54 N -2.47 1.57 -0.23 1.61 2.02 -1.25 -1.04 118.70 118.90 3dk2 s GLU 54 Ca 0.00 -1.22 0.02 0.00 0.02 0.00 0.00 54.97 53.79 3dk2 s GLU 54 Cb 0.00 -1.90 0.05 0.00 0.10 0.00 0.00 34.13 32.38 3dk2 s GLU 54 CO 0.00 0.47 -0.13 -1.17 0.02 0.00 0.00 175.26 174.45 3dk2 s LEU 55 N -1.65 2.94 0.39 1.80 2.96 -0.23 -1.45 118.68 123.44 3dk2 s LEU 55 Ca 0.12 -1.13 0.08 0.00 -0.22 0.00 0.00 54.13 52.98 3dk2 s LEU 55 Cb -0.10 -1.49 -0.05 0.00 0.50 0.00 0.00 46.19 45.05 3dk2 s LEU 55 CO 0.04 -0.13 0.16 -1.00 -1.32 0.00 0.00 176.35 174.09 3dk2 s HIS 56 N 1.19 2.62 -1.31 5.38 3.76 -1.26 -2.79 115.29 122.88 3dk2 s HIS 56 Ca -0.04 -0.53 0.00 0.00 -0.15 0.00 0.00 55.06 54.33 3dk2 s HIS 56 Cb -0.18 -1.86 0.00 0.00 1.11 0.00 0.00 32.58 31.65 3dk2 s HIS 56 CO -0.08 0.24 0.00 0.41 -0.85 0.00 0.00 174.74 174.46 3dk2 n GLY 57 N -1.20 0.15 0.29 -2.22 0.00 -1.26 -4.93 105.19 96.02 3dk2 n GLY 57 Ca -0.02 -0.29 -0.16 0.00 0.00 0.00 0.00 46.02 45.56 3dk2 n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3dk2 h LEU 58 N 0.00 -0.56 0.00 0.99 3.38 -1.85 -3.48 115.31 113.79 3dk2 h LEU 58 Ca -0.33 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3dk2 h LEU 58 Cb 1.19 0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.08 3dk2 h LEU 58 CO 0.41 -0.32 0.00 1.07 0.09 0.00 0.00 178.44 179.69 3dk2 n THR 59 N -5.33 0.00 -4.36 0.22 5.66 -1.26 -4.75 114.28 104.46 3dk2 n THR 59 Ca -0.12 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.70 3dk2 n THR 59 Cb 0.30 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 68.98 3dk2 n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3dk2 s THR 60 N -1.22 1.27 0.31 1.09 -4.23 -1.26 -4.67 115.64 106.92 3dk2 s THR 60 Ca 0.00 -2.07 0.00 0.00 -1.18 0.00 0.00 61.69 58.44 3dk2 s THR 60 Cb 0.00 -2.34 0.27 0.00 1.34 0.00 0.00 72.50 71.77 3dk2 s THR 60 CO 0.00 -0.35 1.94 -0.08 -0.54 0.00 0.00 174.62 175.60 3dk2 h GLU 61 N 2.42 1.01 0.00 3.99 4.81 -1.98 -1.03 114.58 123.80 3dk2 h GLU 61 Ca -0.39 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 58.72 3dk2 h GLU 61 Cb 1.22 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 3dk2 h GLU 61 CO 0.65 0.67 -0.28 0.93 -0.73 0.00 0.00 179.01 180.25 3dk2 h GLU 62 N 1.04 0.00 -0.00 1.92 5.08 -2.04 -3.10 114.58 117.47 3dk2 h GLU 62 Ca 0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 3dk2 h GLU 62 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3dk2 h GLU 62 CO -0.10 0.28 -0.71 -1.91 -1.00 0.00 0.00 179.01 175.56 3dk2 n GLU 63 N -4.16 1.53 -2.59 2.33 2.13 -0.91 -4.63 120.64 114.34 3dk2 n GLU 63 Ca -0.02 -0.14 -0.43 0.00 0.66 0.00 0.00 57.16 57.23 3dk2 n GLU 63 Cb 0.33 -1.29 0.00 0.00 0.27 0.00 0.00 31.44 30.76 3dk2 n GLU 63 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3dk2 n PHE 64 N -1.18 3.41 -2.61 4.31 7.35 -0.44 -4.92 117.46 123.38 3dk2 n PHE 64 Ca 0.04 -2.94 -0.26 0.00 -0.76 0.00 0.00 57.45 53.53 3dk2 n PHE 64 Cb 0.28 -1.91 0.02 0.00 0.35 0.00 0.00 39.48 38.21 3dk2 n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 3dk2 s VAL 65 N 0.20 4.09 0.42 -2.13 -7.23 -1.26 -4.95 120.40 109.54 3dk2 s VAL 65 Ca 0.39 -0.07 -0.19 0.00 -1.81 0.00 0.00 61.98 60.30 3dk2 s VAL 65 Cb 0.06 -3.58 -0.15 0.00 0.56 0.00 0.00 36.38 33.27 3dk2 s VAL 65 CO 0.01 -0.54 0.01 -0.62 -0.31 0.00 0.00 175.10 173.65 3dk2 n GLU 66 N -2.37 0.00 -1.05 4.82 1.02 -1.26 -4.87 120.64 116.92 3dk2 n GLU 66 Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 3dk2 n GLU 66 Cb 0.57 -0.96 0.00 0.00 -0.02 0.00 0.00 31.44 31.03 3dk2 n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dk2 n GLY 67 N 2.30 0.23 3.56 0.62 0.00 -1.20 -4.95 105.19 105.75 3dk2 n GLY 67 Ca 0.10 -1.75 -0.36 0.00 0.00 0.00 0.00 46.02 44.01 3dk2 n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dk2 s ILE 68 N -1.91 4.65 0.19 -0.61 1.01 -1.26 0.47 121.20 123.73 3dk2 s ILE 68 Ca 0.00 -0.07 0.11 0.00 0.00 0.00 0.00 60.65 60.69 3dk2 s ILE 68 Cb 0.00 -3.13 -0.04 0.00 0.01 0.00 0.00 42.46 39.29 3dk2 s ILE 68 CO 0.00 0.40 -0.23 -0.31 0.00 0.00 0.00 174.94 174.79 3dk2 s TYR 69 N 0.96 2.25 -0.15 3.97 1.51 0.49 0.23 117.35 126.61 3dk2 s TYR 69 Ca 0.04 -0.37 -0.00 0.00 -1.01 0.00 0.00 57.07 55.73 3dk2 s TYR 69 Cb -0.14 -1.11 0.03 0.00 -0.11 0.00 0.00 41.96 40.63 3dk2 s TYR 69 CO 0.03 0.48 -0.07 0.21 -1.11 0.00 0.00 175.55 175.09 3dk2 s LYS 70 N -2.68 1.61 -0.25 -0.62 2.20 -0.15 0.38 119.74 120.21 3dk2 s LYS 70 Ca 0.20 -0.44 -0.08 0.00 -0.36 0.00 0.00 55.97 55.29 3dk2 s LYS 70 Cb -0.08 -1.89 -0.03 0.00 -1.51 0.00 0.00 37.83 34.33 3dk2 s LYS 70 CO 0.09 -0.35 0.08 0.08 -0.36 0.00 0.00 175.35 174.90 3dk2 s VAL 71 N 1.63 4.39 -0.21 4.02 1.01 0.12 0.18 120.40 131.55 3dk2 s VAL 71 Ca 0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 61.98 61.83 3dk2 s VAL 71 Cb -0.14 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.18 3dk2 s VAL 71 CO -0.08 0.32 -0.10 -1.61 0.00 0.00 0.00 175.10 173.63 3dk2 s GLU 72 N 1.63 3.24 -0.32 2.72 2.02 0.91 -1.31 118.70 127.58 3dk2 s GLU 72 Ca 0.06 -0.70 -0.09 0.00 0.02 0.00 0.00 54.97 54.26 3dk2 s GLU 72 Cb -0.15 -2.85 0.00 0.00 0.10 0.00 0.00 34.13 31.23 3dk2 s GLU 72 CO 0.04 -0.20 0.15 0.42 0.02 0.00 0.00 175.26 175.70 3dk2 s ILE 73 N 1.41 4.50 -1.06 -1.63 1.09 -1.07 0.34 121.20 124.77 3dk2 s ILE 73 Ca 0.05 -0.57 -0.22 0.00 -1.10 0.00 0.00 60.65 58.81 3dk2 s ILE 73 Cb -0.14 -3.35 0.01 0.00 -1.06 0.00 0.00 42.46 37.92 3dk2 s ILE 73 CO -0.07 -0.00 1.71 -1.81 -0.10 0.00 0.00 174.94 174.67 3dk2 s ASP 74 N 1.58 6.00 0.25 3.58 -0.00 0.20 -1.77 116.67 126.51 3dk2 s ASP 74 Ca 0.04 -1.46 0.24 0.00 -0.00 0.00 0.00 52.55 51.36 3dk2 s ASP 74 Cb -0.18 -2.57 0.35 0.00 -0.00 0.00 0.00 42.92 40.53 3dk2 s ASP 74 CO 0.06 -1.99 1.42 0.71 -0.00 0.00 0.00 175.17 175.37 3dk2 h THR 75 N 6.61 0.00 -0.29 -1.27 1.35 -1.87 -3.29 112.91 114.14 3dk2 h THR 75 Ca 0.22 -0.75 -0.14 0.00 -0.55 0.00 0.00 66.41 65.19 3dk2 h THR 75 Cb 0.97 1.51 -0.01 0.00 -1.73 0.00 0.00 68.15 68.89 3dk2 h THR 75 CO 1.35 0.00 -0.41 0.50 -0.25 0.00 0.00 175.52 176.71 3dk2 h LYS 76 N 0.00 0.70 -0.11 4.72 3.64 -1.67 -2.91 116.57 120.94 3dk2 h LYS 76 Ca 0.00 -0.36 -0.12 0.00 -1.27 0.00 0.00 60.65 58.90 3dk2 h LYS 76 Cb 0.88 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.69 3dk2 h LYS 76 CO 0.00 0.98 -0.45 0.77 -2.27 0.00 0.00 179.45 178.48 3dk2 h SER 77 N 0.57 0.27 0.72 4.20 0.02 -1.83 -3.06 113.55 114.44 3dk2 h SER 77 Ca 0.05 -0.12 -0.04 0.00 -0.84 0.00 0.00 61.79 60.84 3dk2 h SER 77 Cb 0.94 -0.08 0.01 0.00 0.14 0.00 0.00 62.40 63.41 3dk2 h SER 77 CO 0.09 0.69 -0.35 0.22 -1.14 0.00 0.00 176.83 176.34 3dk2 h TYR 78 N 0.21 -0.90 -0.68 3.45 3.20 -1.59 -2.52 116.97 118.14 3dk2 h TYR 78 Ca 0.01 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 61.94 3dk2 h TYR 78 Cb 0.88 0.30 -0.06 0.00 1.54 0.00 0.00 36.73 39.39 3dk2 h TYR 78 CO 0.02 -0.56 0.36 -1.49 -1.64 0.00 0.00 178.16 174.85 3dk2 h TRP 79 N -1.12 0.66 -0.05 -3.82 4.06 -1.64 -2.85 115.95 111.19 3dk2 h TRP 79 Ca -0.10 0.03 0.01 0.00 2.06 0.00 0.00 58.89 60.89 3dk2 h TRP 79 Cb 0.74 -0.19 -0.01 0.00 -1.00 0.00 0.00 29.16 28.70 3dk2 h TRP 79 CO 0.03 0.28 -0.02 0.87 -3.56 0.00 0.00 178.44 176.04 3dk2 h LYS 80 N 0.65 -0.01 -0.37 0.49 1.57 -1.42 0.30 116.57 117.78 3dk2 h LYS 80 Ca 0.32 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 59.21 3dk2 h LYS 80 Cb 0.26 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 3dk2 h LYS 80 CO -0.22 -0.01 0.39 0.00 -0.57 0.00 0.00 179.45 179.05 3dk2 h ALA 81 N 1.04 2.07 -0.01 3.86 0.00 -1.27 0.55 119.26 125.51 3dk2 h ALA 81 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3dk2 h ALA 81 Cb 0.06 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3dk2 h ALA 81 CO -0.06 -0.58 -0.05 1.28 0.00 0.00 0.00 179.25 179.84 3dk2 n LEU 82 N -3.76 0.75 0.00 0.00 4.77 -0.22 -4.88 117.00 113.66 3dk2 n LEU 82 Ca 0.06 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 3dk2 n LEU 82 Cb 0.56 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 3dk2 n LEU 82 CO 0.28 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 3dk2 n GLY 83 N 1.17 0.74 3.84 -0.72 0.00 0.19 -5.08 105.19 105.33 3dk2 n GLY 83 Ca 0.19 -0.43 -0.27 0.00 0.00 0.00 0.00 46.02 45.51 3dk2 n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dk2 s ILE 84 N -2.00 1.74 -0.28 -0.61 -1.09 0.88 -4.97 121.20 114.87 3dk2 s ILE 84 Ca 0.00 -1.62 -0.04 0.00 -2.23 0.00 0.00 60.65 56.76 3dk2 s ILE 84 Cb 0.00 -2.36 0.09 0.00 -1.58 0.00 0.00 42.46 38.61 3dk2 s ILE 84 CO 0.00 0.00 0.12 -0.55 -1.23 0.00 0.00 174.94 173.28 3dk2 s SER 85 N -4.12 3.47 1.03 3.58 0.15 -1.26 -2.93 113.70 113.62 3dk2 s SER 85 Ca 0.31 -1.25 -0.07 0.00 0.70 0.00 0.00 55.95 55.64 3dk2 s SER 85 Cb -0.00 -0.43 0.09 0.00 -1.71 0.00 0.00 66.02 63.97 3dk2 s SER 85 CO 0.18 -0.42 0.46 -0.81 1.20 0.00 0.00 173.24 173.85 3dk2 n PRO 86 N 5.18 -0.96 -0.13 5.44 -0.04 -1.26 -5.04 135.00 138.19 3dk2 n PRO 86 Ca -0.06 -0.71 -0.26 0.00 -0.04 0.00 0.00 63.50 62.43 3dk2 n PRO 86 Cb 0.43 -0.54 -0.09 0.00 -0.04 0.00 0.00 33.50 33.26 3dk2 n PRO 86 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3dk2 n PHE 87 N -2.93 0.00 -1.43 0.54 7.35 -0.37 -5.02 117.46 115.60 3dk2 n PHE 87 Ca 0.06 0.00 -0.30 0.00 -0.76 0.00 0.00 57.45 56.45 3dk2 n PHE 87 Cb 0.21 -0.89 0.11 0.00 0.35 0.00 0.00 39.48 39.26 3dk2 n PHE 87 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 3dk2 s HIS 88 N -2.55 2.62 -0.08 -5.13 3.76 -1.26 -4.97 115.29 107.68 3dk2 s HIS 88 Ca -0.36 1.15 -0.19 0.00 -0.15 0.00 0.00 55.06 55.51 3dk2 s HIS 88 Cb 0.13 -3.16 -0.29 0.00 1.11 0.00 0.00 32.58 30.37 3dk2 s HIS 88 CO 0.46 -2.05 0.73 0.93 -0.85 0.00 0.00 174.74 173.96 3dk2 h GLU 89 N -1.29 0.26 0.00 1.40 4.39 -1.97 -3.40 114.58 113.97 3dk2 h GLU 89 Ca -0.48 -0.44 0.03 0.00 0.34 0.00 0.00 59.36 58.81 3dk2 h GLU 89 Cb 1.28 0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 30.09 3dk2 h GLU 89 CO 0.58 1.21 0.21 -2.39 -1.16 0.00 0.00 179.01 177.46 3dk2 n HIS 90 N -4.06 -1.29 -4.19 4.33 1.44 -1.26 -2.26 115.22 107.92 3dk2 n HIS 90 Ca -0.19 -0.74 -0.26 0.00 -2.01 0.00 0.00 57.72 54.52 3dk2 n HIS 90 Cb 0.84 0.37 -0.07 0.00 0.12 0.00 0.00 29.99 31.25 3dk2 n HIS 90 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3dk2 s ALA 91 N -1.50 3.25 -0.14 1.59 0.00 -0.73 -4.86 121.76 119.37 3dk2 s ALA 91 Ca 0.09 -1.35 -0.04 0.00 0.00 0.00 0.00 51.96 50.66 3dk2 s ALA 91 Cb -0.02 -1.04 0.05 0.00 0.00 0.00 0.00 23.12 22.12 3dk2 s ALA 91 CO 0.04 0.48 0.08 -1.21 0.00 0.00 0.00 175.76 175.15 3dk2 s GLU 92 N -2.98 0.06 -0.33 0.00 2.02 -1.26 -2.59 118.70 113.62 3dk2 s GLU 92 Ca 0.28 0.00 -0.07 0.00 0.02 0.00 0.00 54.97 55.20 3dk2 s GLU 92 Cb -0.09 -1.57 0.03 0.00 0.10 0.00 0.00 34.13 32.59 3dk2 s GLU 92 CO 0.19 -0.60 0.11 0.08 0.02 0.00 0.00 175.26 175.06 3dk2 s VAL 93 N 2.14 3.95 -0.18 2.63 1.01 -0.43 -4.96 120.40 124.55 3dk2 s VAL 93 Ca 0.03 -0.93 -0.04 0.00 0.00 0.00 0.00 61.98 61.04 3dk2 s VAL 93 Cb -0.15 -3.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.05 3dk2 s VAL 93 CO -0.08 -0.09 -0.03 -0.69 0.00 0.00 0.00 175.10 174.22 3dk2 s VAL 94 N 1.46 3.80 0.14 2.92 1.01 -1.26 0.16 120.40 128.63 3dk2 s VAL 94 Ca 0.00 -0.37 -0.16 0.00 0.00 0.00 0.00 61.98 61.46 3dk2 s VAL 94 Cb -0.19 -2.70 0.03 0.00 0.00 0.00 0.00 36.38 33.53 3dk2 s VAL 94 CO 0.03 0.45 0.41 0.72 0.00 0.00 0.00 175.10 176.71 3dk2 s PHE 95 N 0.82 -0.13 -0.01 5.22 -0.71 0.16 -4.96 117.98 118.37 3dk2 s PHE 95 Ca -0.00 -0.20 -0.21 0.00 -1.04 0.00 0.00 56.93 55.48 3dk2 s PHE 95 Cb -0.14 0.25 -0.05 0.00 -1.21 0.00 0.00 43.02 41.86 3dk2 s PHE 95 CO 0.02 -0.74 0.60 0.99 -1.34 0.00 0.00 175.22 174.75 3dk2 s THR 96 N -3.83 4.92 0.04 -4.49 2.01 -1.26 0.18 115.64 113.22 3dk2 s THR 96 Ca 0.05 1.25 0.02 0.00 0.31 0.00 0.00 61.69 63.33 3dk2 s THR 96 Cb 0.02 -3.94 -0.04 0.00 0.01 0.00 0.00 72.50 68.55 3dk2 s THR 96 CO -0.09 0.40 0.02 0.00 -0.69 0.00 0.00 174.62 174.26 3dk2 s ALA 97 N -0.10 3.37 -1.59 7.40 0.00 0.18 -4.75 121.76 126.27 3dk2 s ALA 97 Ca 0.31 -1.00 -0.16 0.00 0.00 0.00 0.00 51.96 51.11 3dk2 s ALA 97 Cb -0.18 -1.34 0.16 0.00 0.00 0.00 0.00 23.12 21.76 3dk2 s ALA 97 CO 0.17 0.69 0.41 0.09 0.00 0.00 0.00 175.76 177.12 3dk2 n ASN 98 N 0.97 -1.07 0.00 0.00 4.13 -1.26 -3.23 115.26 114.79 3dk2 n ASN 98 Ca -0.12 -1.10 0.10 0.00 1.68 0.00 0.00 54.58 55.13 3dk2 n ASN 98 Cb 0.52 -1.40 0.43 0.00 -1.54 0.00 0.00 39.78 37.79 3dk2 n ASN 98 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 3dk2 n ASP 99 N -2.15 0.00 -0.46 6.41 5.75 -1.26 -2.84 116.55 122.00 3dk2 n ASP 99 Ca 0.02 0.45 0.08 0.00 -0.01 0.00 0.00 54.79 55.32 3dk2 n ASP 99 Cb 0.44 -0.48 0.17 0.00 -1.03 0.00 0.00 41.12 40.22 3dk2 n ASP 99 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 3dk2 n SER 100 N -1.48 2.99 0.00 -1.12 2.88 -1.26 -5.07 113.62 110.56 3dk2 n SER 100 Ca 0.05 -2.78 0.00 0.00 -1.33 0.00 0.00 58.87 54.81 3dk2 n SER 100 Cb 0.22 -0.39 0.00 0.00 -0.75 0.00 0.00 64.21 63.29 3dk2 n SER 100 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3dk2 n GLY 101 N -0.69 2.47 3.68 0.46 0.00 -1.13 -4.99 105.19 104.98 3dk2 n GLY 101 Ca 0.15 -1.89 -0.43 0.00 0.00 0.00 0.00 46.02 43.86 3dk2 n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dk2 s PRO 102 N -3.17 4.36 0.47 1.61 0.04 -1.26 -4.39 135.00 132.65 3dk2 s PRO 102 Ca 0.00 1.42 0.08 0.00 0.04 0.00 0.00 61.00 62.53 3dk2 s PRO 102 Cb 0.00 -3.58 0.02 0.00 0.04 0.00 0.00 34.50 30.97 3dk2 s PRO 102 CO 0.00 -0.44 0.51 1.03 0.04 0.00 0.00 177.00 178.14 3dk2 s ARG 103 N 2.48 2.52 -0.01 4.56 1.81 -1.26 -4.81 118.95 124.24 3dk2 s ARG 103 Ca 0.48 -1.55 -0.21 0.00 -1.72 0.00 0.00 55.73 52.73 3dk2 s ARG 103 Cb -0.18 -2.49 -0.05 0.00 -0.45 0.00 0.00 34.95 31.78 3dk2 s ARG 103 CO 0.14 -0.41 0.61 1.03 -0.68 0.00 0.00 175.30 176.00 3dk2 s ARG 104 N -4.32 4.34 -0.22 3.54 0.52 -0.50 -4.79 118.95 117.52 3dk2 s ARG 104 Ca 0.51 0.76 -0.04 0.00 -0.52 0.00 0.00 55.73 56.44 3dk2 s ARG 104 Cb -0.05 -3.35 -0.01 0.00 0.52 0.00 0.00 34.95 32.06 3dk2 s ARG 104 CO 0.30 0.34 -0.04 0.71 0.02 0.00 0.00 175.30 176.63 3dk2 s TYR 105 N -0.10 2.96 -0.20 -0.53 1.51 0.12 -2.50 117.35 118.62 3dk2 s TYR 105 Ca 0.32 -0.91 -0.04 0.00 -1.01 0.00 0.00 57.07 55.43 3dk2 s TYR 105 Cb -0.18 -2.11 -0.02 0.00 -0.11 0.00 0.00 41.96 39.54 3dk2 s TYR 105 CO 0.17 -0.53 -0.02 0.99 -1.11 0.00 0.00 175.55 175.06 3dk2 s THR 106 N 1.46 3.80 -0.43 -0.71 2.01 -0.11 0.86 115.64 122.52 3dk2 s THR 106 Ca 0.06 -0.37 -0.16 0.00 0.31 0.00 0.00 61.69 61.53 3dk2 s THR 106 Cb -0.14 -2.71 0.04 0.00 0.01 0.00 0.00 72.50 69.69 3dk2 s THR 106 CO -0.03 0.43 0.36 -0.63 -0.69 0.00 0.00 174.62 174.06 3dk2 s ILE 107 N 1.02 5.22 -0.05 1.82 -1.09 0.06 -0.05 121.20 128.14 3dk2 s ILE 107 Ca 0.01 -0.76 -0.02 0.00 -2.23 0.00 0.00 60.65 57.66 3dk2 s ILE 107 Cb -0.14 -4.02 -0.04 0.00 -1.58 0.00 0.00 42.46 36.68 3dk2 s ILE 107 CO 0.01 -0.42 0.07 0.00 -1.23 0.00 0.00 174.94 173.37 3dk2 s ALA 108 N 1.74 3.57 -0.04 9.38 0.00 -0.59 0.63 121.76 136.45 3dk2 s ALA 108 Ca 0.06 -0.81 0.05 0.00 0.00 0.00 0.00 51.96 51.26 3dk2 s ALA 108 Cb -0.21 -1.64 -0.01 0.00 0.00 0.00 0.00 23.12 21.27 3dk2 s ALA 108 CO 0.09 0.65 -0.19 0.00 0.00 0.00 0.00 175.76 176.32 3dk2 s ALA 109 N -1.09 1.66 -0.29 0.00 0.00 0.21 -0.91 121.76 121.35 3dk2 s ALA 109 Ca 0.19 -0.77 -0.02 0.00 0.00 0.00 0.00 51.96 51.36 3dk2 s ALA 109 Cb -0.12 -0.53 0.04 0.00 0.00 0.00 0.00 23.12 22.51 3dk2 s ALA 109 CO 0.09 0.31 -0.01 -1.17 0.00 0.00 0.00 175.76 174.98 3dk2 s LEU 110 N -0.04 3.72 -0.01 0.00 2.96 0.28 -0.76 118.68 124.84 3dk2 s LEU 110 Ca -0.03 -1.14 -0.01 0.00 -0.22 0.00 0.00 54.13 52.74 3dk2 s LEU 110 Cb -0.12 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 3dk2 s LEU 110 CO 0.02 -0.22 0.08 -0.76 -1.32 0.00 0.00 176.35 174.15 3dk2 s LEU 111 N 1.29 3.90 0.03 -0.68 1.43 0.43 -2.11 118.68 122.98 3dk2 s LEU 111 Ca -0.03 0.16 -0.01 0.00 -1.03 0.00 0.00 54.13 53.22 3dk2 s LEU 111 Cb -0.19 -2.26 -0.03 0.00 0.03 0.00 0.00 46.19 43.75 3dk2 s LEU 111 CO -0.02 0.28 -0.03 -0.44 0.23 0.00 0.00 176.35 176.37 3dk2 s SER 112 N -1.69 0.35 0.46 2.29 0.01 0.38 -0.77 113.70 114.72 3dk2 s SER 112 Ca 0.22 -0.72 0.26 0.00 1.31 0.00 0.00 55.95 57.03 3dk2 s SER 112 Cb -0.12 0.15 1.30 0.00 0.21 0.00 0.00 66.02 67.56 3dk2 s SER 112 CO 0.13 -0.44 1.77 -0.65 0.41 0.00 0.00 173.24 174.47 3dk2 h PRO 113 N 3.98 0.21 0.00 12.44 0.11 -1.98 -1.98 132.00 144.77 3dk2 h PRO 113 Ca -0.33 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3dk2 h PRO 113 Cb 1.18 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3dk2 h PRO 113 CO 0.52 0.14 -0.12 0.72 -0.21 0.00 0.00 178.00 179.05 3dk2 n HIS 114 N -4.46 0.00 -3.56 0.65 8.25 -1.26 -1.24 115.22 113.60 3dk2 n HIS 114 Ca 0.26 -0.67 -0.14 0.00 -0.26 0.00 0.00 57.72 56.91 3dk2 n HIS 114 Cb 1.06 -0.11 -0.06 0.00 1.12 0.00 0.00 29.99 32.01 3dk2 n HIS 114 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3dk2 s SER 115 N -2.15 -0.51 0.10 0.41 0.15 -0.75 -5.01 113.70 105.95 3dk2 s SER 115 Ca 0.20 0.61 -0.15 0.00 0.70 0.00 0.00 55.95 57.31 3dk2 s SER 115 Cb 0.18 0.49 0.03 0.00 -1.71 0.00 0.00 66.02 65.01 3dk2 s SER 115 CO 0.02 -0.43 0.36 -0.72 1.20 0.00 0.00 173.24 173.67 3dk2 s TYR 116 N -0.97 -0.15 0.05 3.44 -0.85 -1.26 -0.47 117.35 117.13 3dk2 s TYR 116 Ca -0.05 -0.14 0.04 0.00 -0.52 0.00 0.00 57.07 56.40 3dk2 s TYR 116 Cb -0.01 0.20 -0.02 0.00 0.38 0.00 0.00 41.96 42.50 3dk2 s TYR 116 CO 0.04 -0.65 -0.12 0.45 -1.52 0.00 0.00 175.55 173.76 3dk2 s SER 117 N -2.67 1.35 -0.06 -0.18 0.15 -0.89 -4.99 113.70 106.41 3dk2 s SER 117 Ca 0.02 -0.52 -0.02 0.00 0.70 0.00 0.00 55.95 56.12 3dk2 s SER 117 Cb 0.02 -0.04 0.04 0.00 -1.71 0.00 0.00 66.02 64.33 3dk2 s SER 117 CO -0.10 -0.08 0.12 0.28 1.20 0.00 0.00 173.24 174.66 3dk2 s THR 118 N -1.13 -0.12 0.07 6.45 -1.32 -1.26 -0.55 115.64 117.78 3dk2 s THR 118 Ca -0.03 0.27 0.10 0.00 -1.21 0.00 0.00 61.69 60.81 3dk2 s THR 118 Cb -0.09 -0.21 -0.03 0.00 -1.51 0.00 0.00 72.50 70.65 3dk2 s THR 118 CO 0.01 0.11 -0.26 0.28 -2.21 0.00 0.00 174.62 172.55 3dk2 s THR 119 N 1.58 2.16 -0.47 5.08 -1.32 -0.08 -4.96 115.64 117.62 3dk2 s THR 119 Ca -0.04 -1.49 -0.12 0.00 -1.21 0.00 0.00 61.69 58.83 3dk2 s THR 119 Cb -0.12 -1.86 0.10 0.00 -1.51 0.00 0.00 72.50 69.11 3dk2 s THR 119 CO -0.05 0.29 0.37 0.00 -2.21 0.00 0.00 174.62 173.02 3dk2 s ALA 120 N -0.88 3.47 -0.32 11.08 0.00 -1.26 -1.54 121.76 132.31 3dk2 s ALA 120 Ca 0.12 -2.33 -0.19 0.00 0.00 0.00 0.00 51.96 49.56 3dk2 s ALA 120 Cb -0.10 -2.95 -0.01 0.00 0.00 0.00 0.00 23.12 20.06 3dk2 s ALA 120 CO 0.03 -1.82 0.56 0.08 0.00 0.00 0.00 175.76 174.61 3dk2 s VAL 121 N 1.50 4.98 -0.16 0.00 1.01 0.93 -4.93 120.40 123.74 3dk2 s VAL 121 Ca 0.04 0.60 -0.01 0.00 0.00 0.00 0.00 61.98 62.61 3dk2 s VAL 121 Cb -0.26 -3.97 -0.01 0.00 0.00 0.00 0.00 36.38 32.15 3dk2 s VAL 121 CO 0.03 -0.16 -0.12 -0.69 0.00 0.00 0.00 175.10 174.15 3dk2 s VAL 122 N 2.49 2.95 0.14 2.92 1.01 -1.26 -0.93 120.40 127.71 3dk2 s VAL 122 Ca 0.22 -0.67 0.05 0.00 0.00 0.00 0.00 61.98 61.58 3dk2 s VAL 122 Cb -0.15 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 3dk2 s VAL 122 CO 0.13 0.50 -0.12 0.42 0.00 0.00 0.00 175.10 176.02 3dk2 s THR 123 N 0.79 1.29 0.21 3.92 -4.23 -1.04 -4.98 115.64 111.61 3dk2 s THR 123 Ca -0.04 -1.88 -0.01 0.00 -1.18 0.00 0.00 61.69 58.58 3dk2 s THR 123 Cb -0.15 -1.68 -0.04 0.00 1.34 0.00 0.00 72.50 71.97 3dk2 s THR 123 CO 0.01 -0.56 0.41 0.20 -0.54 0.00 0.00 174.62 174.14 3dk2 s ASN 124 N -2.79 6.39 0.00 3.99 0.01 -1.26 -1.41 114.94 119.87 3dk2 s ASN 124 Ca 0.13 0.42 0.00 0.00 -0.71 0.00 0.00 52.86 52.69 3dk2 s ASN 124 Cb -0.02 -2.02 0.00 0.00 0.41 0.00 0.00 41.25 39.63 3dk2 s ASN 124 CO 0.02 -0.07 0.37 -2.65 -1.51 0.00 0.00 177.10 173.27