#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dk0 n PRO 11 N 0.00 0.22 -3.86 0.00 -0.04 -1.26 -4.62 135.00 125.43 3dk0 n PRO 11 Ca 0.00 0.22 -0.27 0.00 -0.04 0.00 0.00 63.50 63.41 3dk0 n PRO 11 Cb 0.00 -1.78 -0.17 0.00 -0.04 0.00 0.00 33.50 31.52 3dk0 n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3dk0 s LEU 12 N -4.34 1.37 0.06 1.53 2.96 -1.26 -0.31 118.68 118.69 3dk0 s LEU 12 Ca 0.10 -0.54 0.08 0.00 -0.22 0.00 0.00 54.13 53.54 3dk0 s LEU 12 Cb 0.13 -0.81 -0.03 0.00 0.50 0.00 0.00 46.19 45.97 3dk0 s LEU 12 CO 0.56 -0.18 -0.21 -0.04 -1.32 0.00 0.00 176.35 175.16 3dk0 s MET 13 N 1.71 1.30 -0.00 1.98 -1.94 0.10 -4.59 119.30 117.86 3dk0 s MET 13 Ca 0.02 -1.00 0.02 0.00 -1.71 0.00 0.00 55.69 53.02 3dk0 s MET 13 Cb -0.15 -1.46 -0.01 0.00 2.01 0.00 0.00 34.83 35.23 3dk0 s MET 13 CO -0.08 0.36 -0.07 0.08 -0.01 0.00 0.00 175.02 175.30 3dk0 s VAL 14 N -0.91 0.58 -0.03 -6.03 1.01 -1.26 -0.63 120.40 113.13 3dk0 s VAL 14 Ca 0.07 -0.38 -0.00 0.00 0.00 0.00 0.00 61.98 61.67 3dk0 s VAL 14 Cb -0.09 -0.50 0.03 0.00 0.00 0.00 0.00 36.38 35.81 3dk0 s VAL 14 CO 0.02 0.12 0.01 -0.75 0.00 0.00 0.00 175.10 174.50 3dk0 s LYS 15 N -0.30 0.26 -0.08 2.72 2.47 -0.46 -4.00 119.74 120.35 3dk0 s LYS 15 Ca 0.02 0.13 0.04 0.00 -1.56 0.00 0.00 55.97 54.59 3dk0 s LYS 15 Cb -0.03 -0.52 0.00 0.00 -1.46 0.00 0.00 37.83 35.81 3dk0 s LYS 15 CO -0.00 -0.18 -0.20 0.08 0.16 0.00 0.00 175.35 175.21 3dk0 s VAL 16 N 1.28 1.70 0.07 4.02 1.01 -0.36 -0.95 120.40 127.17 3dk0 s VAL 16 Ca -0.06 -0.82 0.09 0.00 0.00 0.00 0.00 61.98 61.19 3dk0 s VAL 16 Cb -0.13 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.74 3dk0 s VAL 16 CO -0.02 0.48 -0.23 -0.76 0.00 0.00 0.00 175.10 174.57 3dk0 s LEU 17 N 0.38 2.23 -0.35 3.92 1.43 -0.53 -1.75 118.68 124.01 3dk0 s LEU 17 Ca -0.15 -0.62 -0.12 0.00 -1.03 0.00 0.00 54.13 52.22 3dk0 s LEU 17 Cb -0.16 -1.06 0.00 0.00 0.03 0.00 0.00 46.19 45.00 3dk0 s LEU 17 CO 0.06 0.16 0.21 -0.62 0.23 0.00 0.00 176.35 176.39 3dk0 s ASP 18 N -1.53 5.83 0.00 2.29 -1.08 0.11 -0.96 116.67 121.33 3dk0 s ASP 18 Ca 0.09 -0.64 0.29 0.00 -0.52 0.00 0.00 52.55 51.78 3dk0 s ASP 18 Cb -0.10 -2.07 1.37 0.00 -1.46 0.00 0.00 42.92 40.66 3dk0 s ASP 18 CO 0.03 -0.28 1.93 0.00 0.52 0.00 0.00 175.17 177.37 3dk0 n ALA 19 N 5.05 2.70 -0.09 3.66 0.00 -0.49 -2.14 120.51 129.20 3dk0 n ALA 19 Ca -0.13 -0.29 -0.21 0.00 0.00 0.00 0.00 53.44 52.82 3dk0 n ALA 19 Cb 0.48 -1.35 -0.12 0.00 0.00 0.00 0.00 19.45 18.46 3dk0 n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3dk0 n VAL 20 N -0.72 1.59 0.77 0.00 0.31 -1.26 -4.55 118.33 114.46 3dk0 n VAL 20 Ca 0.18 -0.53 0.10 0.00 -0.01 0.00 0.00 64.34 64.08 3dk0 n VAL 20 Cb 0.25 -1.62 -0.09 0.00 -0.91 0.00 0.00 33.84 31.47 3dk0 n VAL 20 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3dk0 n ARG 21 N -3.55 0.15 -2.87 5.55 1.74 -1.25 -5.00 116.66 111.43 3dk0 n ARG 21 Ca -0.42 -0.04 -0.11 0.00 -0.77 0.00 0.00 57.85 56.52 3dk0 n ARG 21 Cb 0.97 -1.51 0.06 0.00 -1.02 0.00 0.00 32.46 30.95 3dk0 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dk0 n GLY 22 N 1.44 -0.13 3.50 -0.13 0.00 -0.91 -5.05 105.19 103.90 3dk0 n GLY 22 Ca 0.02 -0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 3dk0 n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dk0 s SER 23 N -3.77 -0.10 0.52 1.61 1.04 -1.16 -5.03 113.70 106.80 3dk0 s SER 23 Ca 0.05 -0.79 -0.22 0.00 0.48 0.00 0.00 55.95 55.48 3dk0 s SER 23 Cb -0.01 0.54 -0.06 0.00 0.10 0.00 0.00 66.02 66.60 3dk0 s SER 23 CO 0.47 -1.05 1.25 -2.84 0.98 0.00 0.00 173.24 172.06 3dk0 s PRO 24 N -3.96 3.35 -0.62 4.02 0.02 -1.26 -0.71 135.00 135.84 3dk0 s PRO 24 Ca 0.17 1.97 -0.27 0.00 0.02 0.00 0.00 61.00 62.89 3dk0 s PRO 24 Cb 0.00 -2.25 0.03 0.00 0.02 0.00 0.00 34.50 32.31 3dk0 s PRO 24 CO 0.03 -0.94 1.16 0.00 -0.33 0.00 0.00 177.00 176.93 3dk0 s ALA 25 N -1.46 2.97 0.09 -1.55 0.00 -0.71 -4.67 121.76 116.42 3dk0 s ALA 25 Ca 0.70 -1.07 -0.11 0.00 0.00 0.00 0.00 51.96 51.48 3dk0 s ALA 25 Cb -0.34 -4.03 -0.06 0.00 0.00 0.00 0.00 23.12 18.69 3dk0 s ALA 25 CO 0.40 -2.77 0.43 0.42 0.00 0.00 0.00 175.76 174.24 3dk0 s ILE 26 N 4.94 5.04 -1.30 0.00 1.01 -1.26 -4.37 121.20 125.26 3dk0 s ILE 26 Ca 0.38 0.56 -0.07 0.00 0.00 0.00 0.00 60.65 61.53 3dk0 s ILE 26 Cb -0.09 -3.67 0.01 0.00 0.01 0.00 0.00 42.46 38.72 3dk0 s ILE 26 CO 0.21 0.30 0.90 0.59 0.00 0.00 0.00 174.94 176.95 3dk0 n ASN 27 N 0.96 -5.91 -4.79 3.58 5.03 -0.54 -4.97 115.26 108.62 3dk0 n ASN 27 Ca -0.08 -0.41 -0.36 0.00 0.87 0.00 0.00 54.58 54.60 3dk0 n ASN 27 Cb 0.52 -4.60 -0.07 0.00 -1.02 0.00 0.00 39.78 34.61 3dk0 n ASN 27 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3dk0 s VAL 28 N -3.23 5.37 0.23 2.41 1.01 -1.26 -4.81 120.40 120.12 3dk0 s VAL 28 Ca 0.45 0.17 -0.30 0.00 0.00 0.00 0.00 61.98 62.30 3dk0 s VAL 28 Cb -0.20 -3.39 -0.09 0.00 0.00 0.00 0.00 36.38 32.71 3dk0 s VAL 28 CO 0.55 0.53 1.04 0.00 0.00 0.00 0.00 175.10 177.23 3dk0 s ALA 29 N -0.35 3.37 -0.13 5.51 0.00 -1.26 -1.10 121.76 127.80 3dk0 s ALA 29 Ca 0.11 0.77 0.00 0.00 0.00 0.00 0.00 51.96 52.85 3dk0 s ALA 29 Cb -0.12 -3.30 0.02 0.00 0.00 0.00 0.00 23.12 19.73 3dk0 s ALA 29 CO 0.01 -0.06 -0.12 0.08 0.00 0.00 0.00 175.76 175.67 3dk0 s VAL 30 N -0.84 1.37 -0.09 0.00 1.01 -0.10 -1.82 120.40 119.93 3dk0 s VAL 30 Ca 0.45 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.92 3dk0 s VAL 30 Cb -0.29 -1.30 -0.02 0.00 0.00 0.00 0.00 36.38 34.77 3dk0 s VAL 30 CO 0.36 0.42 -0.13 -1.00 0.00 0.00 0.00 175.10 174.76 3dk0 s HIS 31 N 1.42 2.78 -0.09 5.22 3.76 0.12 -1.54 115.29 126.96 3dk0 s HIS 31 Ca 0.02 -0.34 0.04 0.00 -0.15 0.00 0.00 55.06 54.63 3dk0 s HIS 31 Cb -0.13 -1.73 -0.00 0.00 1.11 0.00 0.00 32.58 31.82 3dk0 s HIS 31 CO -0.08 0.03 -0.24 0.08 -0.85 0.00 0.00 174.74 173.69 3dk0 s VAL 32 N -0.27 2.03 0.14 -0.90 1.01 0.19 -0.36 120.40 122.25 3dk0 s VAL 32 Ca 0.02 -1.02 0.08 0.00 0.00 0.00 0.00 61.98 61.07 3dk0 s VAL 32 Cb -0.13 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 3dk0 s VAL 32 CO 0.03 0.56 -0.19 -0.36 0.00 0.00 0.00 175.10 175.13 3dk0 s PHE 33 N 0.22 1.82 -0.05 5.22 0.40 -0.30 -0.68 117.98 124.63 3dk0 s PHE 33 Ca -0.15 -0.45 0.02 0.00 -0.60 0.00 0.00 56.93 55.75 3dk0 s PHE 33 Cb -0.17 -0.94 0.02 0.00 0.51 0.00 0.00 43.02 42.44 3dk0 s PHE 33 CO 0.08 0.29 -0.08 0.50 0.70 0.00 0.00 175.22 176.70 3dk0 s ARG 34 N -2.50 1.22 0.13 0.44 3.52 0.23 -0.88 118.95 121.10 3dk0 s ARG 34 Ca 0.13 -0.26 -0.31 0.00 -0.13 0.00 0.00 55.73 55.15 3dk0 s ARG 34 Cb -0.07 -1.08 -0.10 0.00 -1.56 0.00 0.00 34.95 32.14 3dk0 s ARG 34 CO 0.06 -0.01 1.68 0.21 -0.81 0.00 0.00 175.30 176.43 3dk0 s LYS 35 N 0.70 4.18 0.57 5.12 2.20 -0.54 -2.09 119.74 129.88 3dk0 s LYS 35 Ca -0.12 2.44 -0.01 0.00 -0.36 0.00 0.00 55.97 57.92 3dk0 s LYS 35 Cb -0.14 -3.40 0.03 0.00 -1.51 0.00 0.00 37.83 32.81 3dk0 s LYS 35 CO 0.02 -0.73 0.82 0.00 -0.36 0.00 0.00 175.35 175.10 3dk0 s ALA 36 N 2.05 3.67 -0.60 3.13 0.00 0.43 -4.78 121.76 125.66 3dk0 s ALA 36 Ca 0.75 -1.15 0.19 0.00 0.00 0.00 0.00 51.96 51.74 3dk0 s ALA 36 Cb -0.44 -2.24 0.85 0.00 0.00 0.00 0.00 23.12 21.29 3dk0 s ALA 36 CO 0.33 -0.83 1.58 0.00 0.00 0.00 0.00 175.76 176.85 3dk0 n ALA 37 N -2.45 1.50 0.69 0.00 0.00 -1.26 -1.04 120.51 117.94 3dk0 n ALA 37 Ca 0.07 0.07 0.10 0.00 0.00 0.00 0.00 53.44 53.67 3dk0 n ALA 37 Cb 0.59 -1.31 0.27 0.00 0.00 0.00 0.00 19.45 19.01 3dk0 n ALA 37 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3dk0 n ASP 38 N -2.01 2.50 -0.68 0.00 5.68 -1.26 -4.94 116.55 115.84 3dk0 n ASP 38 Ca 0.02 -1.90 -0.09 0.00 -0.50 0.00 0.00 54.79 52.32 3dk0 n ASP 38 Cb 0.16 -0.23 -0.04 0.00 -1.14 0.00 0.00 41.12 39.88 3dk0 n ASP 38 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3dk0 n ASP 39 N 0.86 -4.19 -4.96 -1.12 9.92 -0.21 -5.04 116.55 111.81 3dk0 n ASP 39 Ca 0.17 0.22 -0.22 0.00 -0.53 0.00 0.00 54.79 54.43 3dk0 n ASP 39 Cb 0.43 -2.48 -0.00 0.00 -0.64 0.00 0.00 41.12 38.43 3dk0 n ASP 39 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3dk0 s THR 40 N -2.29 4.49 -0.33 -3.53 -4.23 -1.26 -4.86 115.64 103.64 3dk0 s THR 40 Ca 0.00 -0.70 -0.17 0.00 -1.18 0.00 0.00 61.69 59.64 3dk0 s THR 40 Cb 0.00 -3.62 -0.01 0.00 1.34 0.00 0.00 72.50 70.21 3dk0 s THR 40 CO 0.00 -0.34 0.47 0.26 -0.54 0.00 0.00 174.62 174.47 3dk0 s TRP 41 N -2.30 3.20 -0.13 3.99 0.52 -1.26 -0.43 118.94 122.53 3dk0 s TRP 41 Ca 0.43 0.23 -0.13 0.00 0.02 0.00 0.00 56.10 56.65 3dk0 s TRP 41 Cb -0.10 -2.81 -0.05 0.00 -1.15 0.00 0.00 33.47 29.37 3dk0 s TRP 41 CO 0.34 -0.45 0.28 -2.00 0.02 0.00 0.00 176.95 175.14 3dk0 s GLU 42 N 2.28 4.05 0.25 4.98 2.56 -0.89 -4.89 118.70 127.04 3dk0 s GLU 42 Ca 0.17 0.09 -0.31 0.00 0.00 0.00 0.00 54.97 54.93 3dk0 s GLU 42 Cb -0.16 -3.35 -0.14 0.00 2.00 0.00 0.00 34.13 32.49 3dk0 s GLU 42 CO 0.12 0.41 1.28 -2.30 -0.56 0.00 0.00 175.26 174.21 3dk0 n PRO 43 N 2.99 1.75 0.00 4.30 -0.02 -1.26 -0.60 135.00 142.17 3dk0 n PRO 43 Ca -0.14 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 3dk0 n PRO 43 Cb 0.52 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 3dk0 n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3dk0 n PHE 44 N 1.34 0.00 -3.53 6.00 7.35 0.15 -4.76 117.46 124.00 3dk0 n PHE 44 Ca 0.11 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.71 3dk0 n PHE 44 Cb 0.31 0.03 -0.03 0.00 0.35 0.00 0.00 39.48 40.14 3dk0 n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3dk0 s ALA 45 N -1.86 -1.88 0.12 3.13 0.00 -0.89 -5.02 121.76 115.36 3dk0 s ALA 45 Ca 0.00 1.25 -0.19 0.00 0.00 0.00 0.00 51.96 53.01 3dk0 s ALA 45 Cb 0.00 0.03 0.05 0.00 0.00 0.00 0.00 23.12 23.20 3dk0 s ALA 45 CO 0.00 -0.57 0.48 -1.54 0.00 0.00 0.00 175.76 174.14 3dk0 s SER 46 N -2.05 -0.38 0.20 0.00 1.04 -1.26 0.52 113.70 111.77 3dk0 s SER 46 Ca 0.04 -0.11 -0.18 0.00 0.48 0.00 0.00 55.95 56.18 3dk0 s SER 46 Cb -0.01 0.51 0.06 0.00 0.10 0.00 0.00 66.02 66.69 3dk0 s SER 46 CO -0.05 -0.85 0.87 0.61 0.98 0.00 0.00 173.24 174.79 3dk0 n GLY 47 N -0.11 0.76 3.13 7.32 0.00 -0.59 -4.95 105.19 110.76 3dk0 n GLY 47 Ca -0.17 -1.14 -0.21 0.00 0.00 0.00 0.00 46.02 44.50 3dk0 n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dk0 s LYS 48 N -2.05 0.99 0.25 1.61 2.20 -1.26 -0.93 119.74 120.55 3dk0 s LYS 48 Ca 0.19 -0.68 -0.30 0.00 -0.36 0.00 0.00 55.97 54.83 3dk0 s LYS 48 Cb -0.03 -0.99 -0.09 0.00 -1.51 0.00 0.00 37.83 35.21 3dk0 s LYS 48 CO 0.06 0.25 1.21 0.95 -0.36 0.00 0.00 175.35 177.47 3dk0 s THR 49 N -0.69 3.26 0.00 3.43 -4.23 -0.26 -4.25 115.64 112.91 3dk0 s THR 49 Ca 0.03 1.17 0.00 0.00 -1.18 0.00 0.00 61.69 61.70 3dk0 s THR 49 Cb -0.07 -3.74 0.00 0.00 1.34 0.00 0.00 72.50 70.03 3dk0 s THR 49 CO 0.01 0.24 0.00 -1.54 -0.54 0.00 0.00 174.62 172.78 3dk0 n SER 50 N 1.68 0.00 0.21 3.99 3.41 -0.58 -1.46 113.62 120.87 3dk0 n SER 50 Ca 0.02 -0.91 0.15 0.00 -0.26 0.00 0.00 58.87 57.87 3dk0 n SER 50 Cb 0.44 0.00 0.71 0.00 -0.26 0.00 0.00 64.21 65.10 3dk0 n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3dk0 h GLU 51 N 0.00 0.00 -0.01 4.33 5.08 -1.94 -1.64 114.58 120.40 3dk0 h GLU 51 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3dk0 h GLU 51 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3dk0 h GLU 51 CO 0.00 0.00 -0.13 -1.13 -1.00 0.00 0.00 179.01 176.75 3dk0 n SER 52 N -2.60 1.46 0.00 1.42 3.41 -1.26 -4.75 113.62 111.31 3dk0 n SER 52 Ca -0.00 -1.30 0.00 0.00 -0.26 0.00 0.00 58.87 57.31 3dk0 n SER 52 Cb 0.16 0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 3dk0 n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dk0 n GLY 53 N 1.27 0.44 3.19 5.00 0.00 -0.62 -4.81 105.19 109.66 3dk0 n GLY 53 Ca 0.15 -0.71 -0.27 0.00 0.00 0.00 0.00 46.02 45.19 3dk0 n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dk0 s GLU 54 N -1.31 1.84 -0.28 1.61 2.02 -1.26 -1.22 118.70 120.10 3dk0 s GLU 54 Ca 0.00 -0.71 -0.20 0.00 0.02 0.00 0.00 54.97 54.08 3dk0 s GLU 54 Cb 0.00 -1.66 -0.01 0.00 0.10 0.00 0.00 34.13 32.55 3dk0 s GLU 54 CO 0.00 0.35 0.61 -1.25 0.02 0.00 0.00 175.26 174.99 3dk0 s PRO 55 N -0.22 3.99 0.07 0.39 0.04 -1.26 -1.52 135.00 136.48 3dk0 s PRO 55 Ca 0.01 0.37 -0.24 0.00 0.04 0.00 0.00 61.00 61.18 3dk0 s PRO 55 Cb -0.10 -3.69 -0.06 0.00 0.04 0.00 0.00 34.50 30.68 3dk0 s PRO 55 CO 0.01 -0.49 0.74 -1.01 0.04 0.00 0.00 177.00 176.29 3dk0 s HIS 56 N 2.52 3.78 -0.72 0.56 3.76 -1.26 -4.30 115.29 119.62 3dk0 s HIS 56 Ca 0.25 1.47 -0.01 0.00 -0.15 0.00 0.00 55.06 56.62 3dk0 s HIS 56 Cb -0.15 -2.77 0.00 0.00 1.11 0.00 0.00 32.58 30.77 3dk0 s HIS 56 CO 0.10 0.35 0.61 0.41 -0.85 0.00 0.00 174.74 175.37 3dk0 n GLY 57 N 2.17 -0.02 0.25 -2.22 0.00 -1.26 -4.96 105.19 99.15 3dk0 n GLY 57 Ca -0.04 -0.14 -0.06 0.00 0.00 0.00 0.00 46.02 45.78 3dk0 n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3dk0 h LEU 58 N -1.20 0.72 0.00 0.99 3.38 -1.81 -3.48 115.31 113.91 3dk0 h LEU 58 Ca -0.35 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.51 3dk0 h LEU 58 Cb 1.20 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 3dk0 h LEU 58 CO 0.30 0.56 -0.02 1.07 0.09 0.00 0.00 178.44 180.45 3dk0 n THR 59 N -4.62 0.00 -4.32 0.22 5.66 -1.26 -4.67 114.28 105.29 3dk0 n THR 59 Ca 0.04 -0.38 -0.17 0.00 -3.05 0.00 0.00 64.05 60.50 3dk0 n THR 59 Cb 0.05 0.25 -0.10 0.00 -1.55 0.00 0.00 70.33 68.98 3dk0 n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3dk0 s THR 60 N -2.57 0.89 0.32 1.09 -4.23 -1.26 -4.66 115.64 105.22 3dk0 s THR 60 Ca 0.06 -2.02 -0.00 0.00 -1.18 0.00 0.00 61.69 58.55 3dk0 s THR 60 Cb -0.00 -2.38 0.25 0.00 1.34 0.00 0.00 72.50 71.70 3dk0 s THR 60 CO 0.04 -0.27 1.96 -0.08 -0.54 0.00 0.00 174.62 175.73 3dk0 h GLU 61 N 2.48 0.94 -0.53 3.99 4.81 -1.99 -1.62 114.58 122.66 3dk0 h GLU 61 Ca -0.38 -0.08 -0.11 0.00 -0.13 0.00 0.00 59.36 58.66 3dk0 h GLU 61 Cb 1.22 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 3dk0 h GLU 61 CO 0.64 0.66 -0.11 0.93 -0.73 0.00 0.00 179.01 180.39 3dk0 h GLU 62 N 0.96 1.01 0.01 1.92 3.07 -2.05 -3.29 114.58 116.21 3dk0 h GLU 62 Ca 0.25 -0.37 -0.23 0.00 -0.50 0.00 0.00 59.36 58.52 3dk0 h GLU 62 Cb -0.05 -0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 27.76 3dk0 h GLU 62 CO -0.05 1.06 -1.12 0.93 -1.40 0.00 0.00 179.01 178.42 3dk0 h GLU 63 N 0.90 0.01 -5.35 2.33 5.08 -1.91 -3.42 114.58 112.22 3dk0 h GLU 63 Ca 0.14 -0.03 -0.70 0.00 -1.00 0.00 0.00 59.36 57.77 3dk0 h GLU 63 Cb 0.67 0.01 -0.13 0.00 0.50 0.00 0.00 28.75 29.81 3dk0 h GLU 63 CO 0.05 0.93 1.75 0.12 -1.00 0.00 0.00 179.01 180.87 3dk0 s PHE 64 N -2.69 3.10 0.78 4.33 5.36 -0.63 -4.98 117.98 123.24 3dk0 s PHE 64 Ca -0.00 -1.81 -0.05 0.00 -0.96 0.00 0.00 56.93 54.10 3dk0 s PHE 64 Cb 0.10 -4.54 0.16 0.00 -0.34 0.00 0.00 43.02 38.39 3dk0 s PHE 64 CO 0.82 -1.62 1.06 1.33 -1.46 0.00 0.00 175.22 175.36 3dk0 n VAL 65 N 5.60 0.00 -1.68 3.12 0.24 -1.26 -4.95 118.33 119.39 3dk0 n VAL 65 Ca 0.42 -1.35 -0.38 0.00 -2.04 0.00 0.00 64.34 60.99 3dk0 n VAL 65 Cb 0.45 -1.09 0.05 0.00 -1.47 0.00 0.00 33.84 31.78 3dk0 n VAL 65 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3dk0 n GLU 66 N -3.07 1.20 0.00 7.34 1.02 -1.26 -4.81 120.64 121.06 3dk0 n GLU 66 Ca 0.16 0.46 0.00 0.00 -0.02 0.00 0.00 57.16 57.76 3dk0 n GLU 66 Cb 0.57 -2.38 0.00 0.00 -0.02 0.00 0.00 31.44 29.61 3dk0 n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dk0 n GLY 67 N 1.03 -0.48 3.59 0.62 0.00 -1.16 -5.01 105.19 103.79 3dk0 n GLY 67 Ca 0.13 -1.38 -0.36 0.00 0.00 0.00 0.00 46.02 44.42 3dk0 n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dk0 s ILE 68 N -1.90 4.88 0.14 -0.61 1.01 -1.26 -0.67 121.20 122.78 3dk0 s ILE 68 Ca 0.00 0.01 0.09 0.00 0.00 0.00 0.00 60.65 60.75 3dk0 s ILE 68 Cb 0.00 -3.25 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 3dk0 s ILE 68 CO 0.00 0.38 -0.17 -0.31 0.00 0.00 0.00 174.94 174.83 3dk0 s TYR 69 N 1.02 2.52 -0.10 3.97 1.51 0.40 -1.47 117.35 125.21 3dk0 s TYR 69 Ca 0.05 -0.27 0.01 0.00 -1.01 0.00 0.00 57.07 55.85 3dk0 s TYR 69 Cb -0.14 -1.31 0.02 0.00 -0.11 0.00 0.00 41.96 40.43 3dk0 s TYR 69 CO 0.04 0.43 -0.11 0.21 -1.11 0.00 0.00 175.55 175.00 3dk0 s LYS 70 N -2.35 1.77 -0.19 -0.62 2.20 -0.06 -1.76 119.74 118.72 3dk0 s LYS 70 Ca 0.20 -0.39 -0.06 0.00 -0.36 0.00 0.00 55.97 55.37 3dk0 s LYS 70 Cb -0.10 -1.62 -0.03 0.00 -1.51 0.00 0.00 37.83 34.57 3dk0 s LYS 70 CO 0.11 -0.13 0.02 0.08 -0.36 0.00 0.00 175.35 175.07 3dk0 s VAL 71 N 1.21 4.18 -0.13 4.02 1.01 -0.00 -1.14 120.40 129.54 3dk0 s VAL 71 Ca -0.04 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.72 3dk0 s VAL 71 Cb -0.14 -2.88 0.02 0.00 0.00 0.00 0.00 36.38 33.37 3dk0 s VAL 71 CO -0.03 0.43 -0.16 -0.70 0.00 0.00 0.00 175.10 174.64 3dk0 s GLU 72 N 0.82 2.44 -0.22 2.72 2.12 0.52 -1.43 118.70 125.67 3dk0 s GLU 72 Ca 0.01 -0.63 -0.05 0.00 0.36 0.00 0.00 54.97 54.66 3dk0 s GLU 72 Cb -0.14 -2.10 -0.02 0.00 0.26 0.00 0.00 34.13 32.13 3dk0 s GLU 72 CO 0.02 -0.12 -0.01 0.42 -0.54 0.00 0.00 175.26 175.03 3dk0 s ILE 73 N 1.14 3.75 -1.22 -3.70 1.01 -0.17 -0.70 121.20 121.31 3dk0 s ILE 73 Ca -0.02 -0.37 -0.18 0.00 0.00 0.00 0.00 60.65 60.08 3dk0 s ILE 73 Cb -0.14 -2.71 -0.02 0.00 0.01 0.00 0.00 42.46 39.60 3dk0 s ILE 73 CO -0.05 0.41 1.99 -0.67 0.00 0.00 0.00 174.94 176.62 3dk0 n ASP 74 N 4.60 3.71 0.19 3.58 2.03 -0.76 -1.83 116.55 128.09 3dk0 n ASP 74 Ca -0.17 -2.80 0.05 0.00 0.52 0.00 0.00 54.79 52.39 3dk0 n ASP 74 Cb 0.51 -1.57 0.37 0.00 -0.72 0.00 0.00 41.12 39.72 3dk0 n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 3dk0 h THR 75 N 4.84 0.97 -0.36 5.18 1.35 -1.89 -3.27 112.91 119.73 3dk0 h THR 75 Ca 0.45 -1.41 -0.07 0.00 -0.55 0.00 0.00 66.41 64.84 3dk0 h THR 75 Cb 0.75 1.83 -0.01 0.00 -1.73 0.00 0.00 68.15 68.99 3dk0 h THR 75 CO 1.70 0.36 -0.04 0.50 -0.25 0.00 0.00 175.52 177.79 3dk0 h LYS 76 N 0.00 0.66 0.00 4.72 3.64 -1.74 -2.58 116.57 121.27 3dk0 h LYS 76 Ca -0.00 -0.23 -0.07 0.00 -1.27 0.00 0.00 60.65 59.07 3dk0 h LYS 76 Cb 0.80 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 3dk0 h LYS 76 CO 0.05 0.80 -0.34 0.77 -2.27 0.00 0.00 179.45 178.45 3dk0 h SER 77 N 0.46 0.00 0.13 4.20 0.02 -1.88 -2.96 113.55 113.53 3dk0 h SER 77 Ca 0.10 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 3dk0 h SER 77 Cb 0.53 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.07 3dk0 h SER 77 CO 0.03 0.34 -0.06 0.22 -1.14 0.00 0.00 176.83 176.22 3dk0 h TYR 78 N 0.00 -0.16 0.00 3.45 3.20 -1.55 -2.70 116.97 119.20 3dk0 h TYR 78 Ca -0.00 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.81 3dk0 h TYR 78 Cb 0.71 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.03 3dk0 h TYR 78 CO 0.00 0.21 -0.27 -1.49 -1.64 0.00 0.00 178.16 174.97 3dk0 h TRP 79 N -0.58 0.00 -0.19 -3.82 4.06 -1.50 -3.10 115.95 110.81 3dk0 h TRP 79 Ca -0.02 0.00 -0.21 0.00 2.06 0.00 0.00 58.89 60.72 3dk0 h TRP 79 Cb 0.45 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.62 3dk0 h TRP 79 CO 0.05 0.27 -0.70 0.87 -3.56 0.00 0.00 178.44 175.37 3dk0 h LYS 80 N 0.00 0.82 0.00 0.49 1.57 -1.55 0.73 116.57 118.63 3dk0 h LYS 80 Ca -0.00 -0.62 -0.02 0.00 -1.87 0.00 0.00 60.65 58.14 3dk0 h LYS 80 Cb 0.51 0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.93 3dk0 h LYS 80 CO 0.04 1.23 -0.09 0.00 -0.57 0.00 0.00 179.45 180.06 3dk0 h ALA 81 N 0.58 1.75 -0.00 3.86 0.00 -1.41 -1.95 119.26 122.09 3dk0 h ALA 81 Ca -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3dk0 h ALA 81 Cb 1.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3dk0 h ALA 81 CO 0.15 0.12 -0.16 1.28 0.00 0.00 0.00 179.25 180.64 3dk0 n LEU 82 N -4.29 0.50 -0.95 0.00 4.77 -1.14 -4.95 117.00 110.93 3dk0 n LEU 82 Ca -0.03 0.02 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 3dk0 n LEU 82 Cb 0.17 -0.21 0.01 0.00 -2.33 0.00 0.00 43.42 41.06 3dk0 n LEU 82 CO 0.34 0.10 -0.03 0.61 -1.33 0.00 0.00 177.39 177.08 3dk0 n GLY 83 N 1.33 0.25 3.26 -0.72 0.00 -0.73 -5.06 105.19 103.52 3dk0 n GLY 83 Ca 0.13 -0.55 -0.28 0.00 0.00 0.00 0.00 46.02 45.32 3dk0 n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dk0 s ILE 84 N -2.58 1.78 -0.32 -0.61 1.01 0.22 -5.03 121.20 115.67 3dk0 s ILE 84 Ca 0.06 -1.07 -0.29 0.00 0.00 0.00 0.00 60.65 59.35 3dk0 s ILE 84 Cb -0.03 -1.50 0.02 0.00 0.01 0.00 0.00 42.46 40.96 3dk0 s ILE 84 CO 0.07 0.41 1.09 -0.44 0.00 0.00 0.00 174.94 176.07 3dk0 s SER 85 N -0.78 6.90 0.28 3.58 0.01 -1.26 -3.70 113.70 118.73 3dk0 s SER 85 Ca 0.09 1.04 -0.09 0.00 1.31 0.00 0.00 55.95 58.30 3dk0 s SER 85 Cb -0.09 -2.54 -0.07 0.00 0.21 0.00 0.00 66.02 63.53 3dk0 s SER 85 CO 0.00 -0.91 0.59 -2.16 0.41 0.00 0.00 173.24 171.18 3dk0 s PRO 86 N 3.72 3.77 -0.22 12.44 0.04 -1.26 -4.88 135.00 148.61 3dk0 s PRO 86 Ca 0.46 0.26 -0.17 0.00 0.04 0.00 0.00 61.00 61.59 3dk0 s PRO 86 Cb -0.12 -2.59 -0.18 0.00 0.04 0.00 0.00 34.50 31.64 3dk0 s PRO 86 CO 0.16 0.23 0.06 0.34 0.04 0.00 0.00 177.00 177.83 3dk0 n PHE 87 N -0.52 0.73 -2.99 0.56 7.35 -0.72 -4.98 117.46 116.90 3dk0 n PHE 87 Ca 0.00 0.29 -0.34 0.00 -0.76 0.00 0.00 57.45 56.64 3dk0 n PHE 87 Cb 0.53 -1.08 -0.06 0.00 0.35 0.00 0.00 39.48 39.22 3dk0 n PHE 87 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 3dk0 s HIS 88 N -2.43 3.45 0.17 -5.13 3.76 -1.26 -4.98 115.29 108.87 3dk0 s HIS 88 Ca -0.31 1.45 -0.02 0.00 -0.15 0.00 0.00 55.06 56.03 3dk0 s HIS 88 Cb 0.08 -2.70 0.04 0.00 1.11 0.00 0.00 32.58 31.11 3dk0 s HIS 88 CO 0.58 0.10 1.42 0.93 -0.85 0.00 0.00 174.74 176.92 3dk0 h GLU 89 N 2.50 0.41 -1.67 1.40 4.39 -1.97 -3.38 114.58 116.27 3dk0 h GLU 89 Ca -0.48 -0.35 0.28 0.00 0.34 0.00 0.00 59.36 59.15 3dk0 h GLU 89 Cb 1.18 0.08 -0.12 0.00 -0.10 0.00 0.00 28.75 29.78 3dk0 h GLU 89 CO 0.64 0.99 0.74 -3.38 -1.16 0.00 0.00 179.01 176.84 3dk0 s HIS 90 N -3.59 -0.09 -0.16 4.33 -3.43 -1.26 -3.61 115.29 107.48 3dk0 s HIS 90 Ca -0.06 -0.05 -0.02 0.00 -0.80 0.00 0.00 55.06 54.13 3dk0 s HIS 90 Cb 0.10 0.56 -0.02 0.00 -1.43 0.00 0.00 32.58 31.79 3dk0 s HIS 90 CO 0.84 -0.39 -0.08 0.00 -2.00 0.00 0.00 174.74 173.12 3dk0 s ALA 91 N -2.63 2.81 0.23 -1.38 0.00 -0.76 -4.92 121.76 115.11 3dk0 s ALA 91 Ca 0.13 -0.92 0.09 0.00 0.00 0.00 0.00 51.96 51.25 3dk0 s ALA 91 Cb 0.02 -1.45 -0.04 0.00 0.00 0.00 0.00 23.12 21.65 3dk0 s ALA 91 CO -0.03 0.08 0.00 -1.21 0.00 0.00 0.00 175.76 174.60 3dk0 s GLU 92 N 0.61 2.34 -0.15 0.00 2.02 -1.26 -1.00 118.70 121.26 3dk0 s GLU 92 Ca -0.05 -1.29 -0.06 0.00 0.02 0.00 0.00 54.97 53.60 3dk0 s GLU 92 Cb -0.15 -2.25 0.07 0.00 0.10 0.00 0.00 34.13 31.91 3dk0 s GLU 92 CO 0.03 0.40 0.32 0.08 0.02 0.00 0.00 175.26 176.10 3dk0 s VAL 93 N -2.07 -0.45 -0.12 2.63 1.01 -0.51 -4.98 120.40 115.91 3dk0 s VAL 93 Ca 0.30 0.23 0.03 0.00 0.00 0.00 0.00 61.98 62.53 3dk0 s VAL 93 Cb -0.08 -0.52 0.01 0.00 0.00 0.00 0.00 36.38 35.80 3dk0 s VAL 93 CO 0.19 0.10 -0.19 -0.69 0.00 0.00 0.00 175.10 174.51 3dk0 s VAL 94 N 2.36 1.80 0.02 2.92 1.01 -1.26 -0.82 120.40 126.43 3dk0 s VAL 94 Ca -0.01 -0.84 -0.19 0.00 0.00 0.00 0.00 61.98 60.94 3dk0 s VAL 94 Cb -0.12 -1.60 0.04 0.00 0.00 0.00 0.00 36.38 34.70 3dk0 s VAL 94 CO -0.10 0.50 0.43 0.72 0.00 0.00 0.00 175.10 176.65 3dk0 s PHE 95 N 0.77 -0.31 -0.12 5.22 -0.71 -0.72 -5.00 117.98 117.11 3dk0 s PHE 95 Ca -0.10 0.36 -0.23 0.00 -1.04 0.00 0.00 56.93 55.92 3dk0 s PHE 95 Cb -0.16 0.23 -0.03 0.00 -1.21 0.00 0.00 43.02 41.85 3dk0 s PHE 95 CO 0.01 -0.55 0.70 0.99 -1.34 0.00 0.00 175.22 175.04 3dk0 s THR 96 N -2.10 5.01 0.06 -4.49 2.01 -1.26 -0.45 115.64 114.42 3dk0 s THR 96 Ca -0.08 1.41 0.06 0.00 0.31 0.00 0.00 61.69 63.39 3dk0 s THR 96 Cb -0.02 -4.03 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 3dk0 s THR 96 CO 0.00 0.17 -0.12 0.00 -0.69 0.00 0.00 174.62 173.99 3dk0 s ALA 97 N 1.35 2.87 -2.00 7.40 0.00 0.15 -4.77 121.76 126.76 3dk0 s ALA 97 Ca 0.35 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 51.13 3dk0 s ALA 97 Cb -0.17 -0.90 0.00 0.00 0.00 0.00 0.00 23.12 22.05 3dk0 s ALA 97 CO 0.15 0.61 0.00 0.09 0.00 0.00 0.00 175.76 176.61 3dk0 n ASN 98 N 1.15 -5.27 -0.35 0.00 3.02 -1.26 -2.96 115.26 109.59 3dk0 n ASN 98 Ca -0.15 0.47 -0.02 0.00 -0.03 0.00 0.00 54.58 54.85 3dk0 n ASN 98 Cb 0.52 -4.43 0.13 0.00 -0.61 0.00 0.00 39.78 35.39 3dk0 n ASN 98 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 3dk0 h ASP 99 N 0.00 1.11 -0.82 6.41 3.58 -1.93 -2.40 116.42 122.36 3dk0 h ASP 99 Ca -0.38 -0.04 -0.51 0.00 0.42 0.00 0.00 57.03 56.52 3dk0 h ASP 99 Cb 1.23 -0.28 -0.28 0.00 1.72 0.00 0.00 39.33 41.72 3dk0 h ASP 99 CO 0.56 0.82 0.35 -1.20 -2.88 0.00 0.00 179.24 176.89 3dk0 n SER 100 N -4.38 5.11 0.00 2.28 7.64 -1.26 -5.04 113.62 117.96 3dk0 n SER 100 Ca 0.11 -3.74 0.00 0.00 1.01 0.00 0.00 58.87 56.25 3dk0 n SER 100 Cb 0.03 -0.77 0.00 0.00 -1.01 0.00 0.00 64.21 62.45 3dk0 n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dk0 n GLY 101 N -0.99 1.89 3.76 0.23 0.00 -0.90 -5.03 105.19 104.14 3dk0 n GLY 101 Ca 0.53 -2.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.14 3dk0 n GLY 101 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3dk0 n PRO 102 N 1.30 2.60 -4.12 1.61 -0.02 -1.26 -4.36 135.00 130.75 3dk0 n PRO 102 Ca 0.00 0.91 -0.10 0.00 -2.02 0.00 0.00 63.50 62.29 3dk0 n PRO 102 Cb 0.00 -2.63 -0.09 0.00 -0.02 0.00 0.00 33.50 30.76 3dk0 n PRO 102 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3dk0 s ARG 103 N -1.96 1.04 -0.09 -0.52 1.81 -1.26 -4.40 118.95 113.56 3dk0 s ARG 103 Ca 0.54 -1.43 -0.02 0.00 -1.72 0.00 0.00 55.73 53.11 3dk0 s ARG 103 Cb -0.49 0.28 -0.03 0.00 -0.45 0.00 0.00 34.95 34.26 3dk0 s ARG 103 CO 0.63 -0.32 -0.02 1.03 -0.68 0.00 0.00 175.30 175.93 3dk0 s ARG 104 N -4.06 3.06 -0.08 3.54 0.52 0.01 -4.89 118.95 117.05 3dk0 s ARG 104 Ca 0.26 -0.47 0.04 0.00 -0.52 0.00 0.00 55.73 55.04 3dk0 s ARG 104 Cb 0.06 -2.77 0.00 0.00 0.52 0.00 0.00 34.95 32.77 3dk0 s ARG 104 CO 0.04 0.60 -0.20 0.71 0.02 0.00 0.00 175.30 176.47 3dk0 s TYR 105 N -0.61 2.10 -0.15 -0.53 1.51 0.58 -1.70 117.35 118.54 3dk0 s TYR 105 Ca 0.10 -0.78 0.02 0.00 -1.01 0.00 0.00 57.07 55.40 3dk0 s TYR 105 Cb -0.12 -1.43 0.01 0.00 -0.11 0.00 0.00 41.96 40.32 3dk0 s TYR 105 CO 0.02 -0.32 -0.21 0.99 -1.11 0.00 0.00 175.55 174.92 3dk0 s THR 106 N 0.33 2.07 -0.28 -0.71 2.01 -0.16 -0.72 115.64 118.18 3dk0 s THR 106 Ca -0.14 -0.96 -0.07 0.00 0.31 0.00 0.00 61.69 60.83 3dk0 s THR 106 Cb -0.16 -1.84 -0.01 0.00 0.01 0.00 0.00 72.50 70.50 3dk0 s THR 106 CO 0.06 0.55 0.08 -0.63 -0.69 0.00 0.00 174.62 173.98 3dk0 s ILE 107 N 0.98 4.11 -0.11 1.82 -1.09 0.20 -1.20 121.20 125.91 3dk0 s ILE 107 Ca -0.03 -0.48 -0.04 0.00 -2.23 0.00 0.00 60.65 57.87 3dk0 s ILE 107 Cb -0.15 -3.04 -0.04 0.00 -1.58 0.00 0.00 42.46 37.66 3dk0 s ILE 107 CO -0.06 0.18 0.06 0.00 -1.23 0.00 0.00 174.94 173.89 3dk0 s ALA 108 N 1.55 3.50 -0.03 9.38 0.00 -0.40 -1.36 121.76 134.40 3dk0 s ALA 108 Ca 0.04 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.28 3dk0 s ALA 108 Cb -0.16 -1.70 0.01 0.00 0.00 0.00 0.00 23.12 21.27 3dk0 s ALA 108 CO 0.03 0.55 -0.06 0.00 0.00 0.00 0.00 175.76 176.28 3dk0 s ALA 109 N -0.78 0.67 -0.15 0.00 0.00 -0.13 -1.85 121.76 119.52 3dk0 s ALA 109 Ca 0.12 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 51.93 3dk0 s ALA 109 Cb -0.12 -0.32 -0.00 0.00 0.00 0.00 0.00 23.12 22.68 3dk0 s ALA 109 CO 0.03 0.06 -0.15 -1.17 0.00 0.00 0.00 175.76 174.52 3dk0 s LEU 110 N 0.49 2.48 -0.14 0.00 2.96 -0.58 -1.45 118.68 122.45 3dk0 s LEU 110 Ca -0.07 -0.46 -0.01 0.00 -0.22 0.00 0.00 54.13 53.38 3dk0 s LEU 110 Cb -0.10 -1.56 -0.02 0.00 0.50 0.00 0.00 46.19 45.01 3dk0 s LEU 110 CO 0.00 0.09 -0.12 -0.76 -1.32 0.00 0.00 176.35 174.25 3dk0 s LEU 111 N 0.76 2.78 0.18 -0.68 1.43 -0.13 -2.20 118.68 120.82 3dk0 s LEU 111 Ca -0.06 -0.31 0.07 0.00 -1.03 0.00 0.00 54.13 52.80 3dk0 s LEU 111 Cb -0.15 -1.63 -0.05 0.00 0.03 0.00 0.00 46.19 44.39 3dk0 s LEU 111 CO 0.01 0.16 -0.13 -0.44 0.23 0.00 0.00 176.35 176.18 3dk0 s SER 112 N 0.39 2.29 0.35 2.29 0.01 -0.11 -1.39 113.70 117.54 3dk0 s SER 112 Ca -0.10 -1.02 0.09 0.00 1.31 0.00 0.00 55.95 56.24 3dk0 s SER 112 Cb -0.16 -0.09 0.82 0.00 0.21 0.00 0.00 66.02 66.80 3dk0 s SER 112 CO 0.05 -0.23 1.85 -0.65 0.41 0.00 0.00 173.24 174.67 3dk0 h PRO 113 N 2.64 0.67 -0.13 12.44 0.11 -2.00 -2.97 132.00 142.76 3dk0 h PRO 113 Ca -0.38 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3dk0 h PRO 113 Cb 1.21 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3dk0 h PRO 113 CO 0.63 0.44 0.00 0.66 -0.21 0.00 0.00 178.00 179.52 3dk0 n TYR 114 N -4.59 0.37 -3.54 0.65 4.02 -1.26 -1.76 117.16 111.05 3dk0 n TYR 114 Ca 0.19 -0.82 -0.16 0.00 -0.01 0.00 0.00 57.90 57.10 3dk0 n TYR 114 Cb 0.51 -0.17 -0.06 0.00 -0.02 0.00 0.00 39.34 39.60 3dk0 n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3dk0 s SER 115 N -2.04 -0.58 0.08 7.72 0.15 -1.12 -5.01 113.70 112.90 3dk0 s SER 115 Ca 0.29 0.66 -0.10 0.00 0.70 0.00 0.00 55.95 57.50 3dk0 s SER 115 Cb 0.24 0.51 0.01 0.00 -1.71 0.00 0.00 66.02 65.07 3dk0 s SER 115 CO 0.06 -0.51 0.22 -0.72 1.20 0.00 0.00 173.24 173.49 3dk0 s TYR 116 N -1.09 0.07 0.11 3.44 -0.85 -1.26 -0.93 117.35 116.84 3dk0 s TYR 116 Ca -0.08 -0.42 0.05 0.00 -0.52 0.00 0.00 57.07 56.11 3dk0 s TYR 116 Cb -0.00 -0.01 -0.04 0.00 0.38 0.00 0.00 41.96 42.29 3dk0 s TYR 116 CO 0.07 -0.53 -0.13 -1.54 -1.52 0.00 0.00 175.55 171.90 3dk0 s SER 117 N -2.61 1.80 -0.06 -0.18 1.04 -0.93 -4.99 113.70 107.78 3dk0 s SER 117 Ca 0.02 -0.78 -0.05 0.00 0.48 0.00 0.00 55.95 55.61 3dk0 s SER 117 Cb 0.03 -0.05 0.02 0.00 0.10 0.00 0.00 66.02 66.12 3dk0 s SER 117 CO -0.09 -0.17 0.15 0.28 0.98 0.00 0.00 173.24 174.40 3dk0 s THR 118 N -2.10 -0.01 0.02 2.02 -1.32 -1.26 -1.52 115.64 111.48 3dk0 s THR 118 Ca 0.06 0.03 0.00 0.00 -1.21 0.00 0.00 61.69 60.57 3dk0 s THR 118 Cb -0.05 -0.23 -0.02 0.00 -1.51 0.00 0.00 72.50 70.69 3dk0 s THR 118 CO 0.02 0.01 -0.03 0.28 -2.21 0.00 0.00 174.62 172.69 3dk0 s THR 119 N 0.26 0.15 -0.07 5.08 -1.32 -0.77 -5.00 115.64 113.97 3dk0 s THR 119 Ca -0.01 -1.01 0.04 0.00 -1.21 0.00 0.00 61.69 59.50 3dk0 s THR 119 Cb -0.03 -0.40 -0.02 0.00 -1.51 0.00 0.00 72.50 70.54 3dk0 s THR 119 CO -0.01 -0.54 -0.18 0.00 -2.21 0.00 0.00 174.62 171.68 3dk0 s ALA 120 N -1.68 2.45 -0.18 11.08 0.00 -1.26 -1.28 121.76 130.88 3dk0 s ALA 120 Ca -0.13 -0.99 -0.01 0.00 0.00 0.00 0.00 51.96 50.82 3dk0 s ALA 120 Cb -0.08 -0.90 -0.00 0.00 0.00 0.00 0.00 23.12 22.14 3dk0 s ALA 120 CO -0.02 0.43 -0.12 0.08 0.00 0.00 0.00 175.76 176.14 3dk0 s VAL 121 N -0.27 2.83 -0.17 0.00 1.01 -0.34 -4.98 120.40 118.48 3dk0 s VAL 121 Ca 0.01 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.30 3dk0 s VAL 121 Cb -0.13 -2.23 0.02 0.00 0.00 0.00 0.00 36.38 34.03 3dk0 s VAL 121 CO 0.03 0.49 -0.19 -0.69 0.00 0.00 0.00 175.10 174.73 3dk0 s VAL 122 N 1.14 2.18 0.07 2.92 1.01 -1.26 -0.99 120.40 125.47 3dk0 s VAL 122 Ca 0.01 -0.91 0.08 0.00 0.00 0.00 0.00 61.98 61.16 3dk0 s VAL 122 Cb -0.14 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 3dk0 s VAL 122 CO -0.04 0.53 -0.22 0.42 0.00 0.00 0.00 175.10 175.80 3dk0 s THR 123 N 1.20 1.76 -0.11 3.92 -4.23 -0.69 -4.98 115.64 112.51 3dk0 s THR 123 Ca 0.02 -1.35 -0.30 0.00 -1.18 0.00 0.00 61.69 58.88 3dk0 s THR 123 Cb -0.14 -1.55 -0.01 0.00 1.34 0.00 0.00 72.50 72.14 3dk0 s THR 123 CO -0.10 0.13 1.04 0.21 -0.54 0.00 0.00 174.62 175.36 3dk0 s ASN 124 N -1.46 7.20 0.00 3.99 3.84 -1.26 -0.81 114.94 126.44 3dk0 s ASN 124 Ca 0.08 1.56 0.14 0.00 0.21 0.00 0.00 52.86 54.85 3dk0 s ASN 124 Cb -0.09 -2.56 0.82 0.00 -0.55 0.00 0.00 41.25 38.87 3dk0 s ASN 124 CO 0.03 -0.49 1.24 -0.81 -2.79 0.00 0.00 177.10 174.28