#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tt6 n PRO 11 N 0.00 0.25 -3.67 0.00 -0.04 -1.26 -4.70 135.00 125.57 1tt6 n PRO 11 Ca 0.00 0.02 -0.19 0.00 -0.04 0.00 0.00 63.50 63.29 1tt6 n PRO 11 Cb 0.00 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 31.79 1tt6 n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1tt6 s LEU 12 N -2.74 0.13 0.03 1.53 2.96 -1.26 -0.31 118.68 119.03 1tt6 s LEU 12 Ca 0.22 0.14 0.03 0.00 -0.22 0.00 0.00 54.13 54.30 1tt6 s LEU 12 Cb 0.19 -0.04 -0.02 0.00 0.50 0.00 0.00 46.19 46.82 1tt6 s LEU 12 CO 0.47 -0.24 -0.10 -0.32 -1.32 0.00 0.00 176.35 174.83 1tt6 s MET 13 N 2.14 0.70 -0.06 1.98 -2.45 -0.18 -4.38 119.30 117.05 1tt6 s MET 13 Ca 0.04 -0.62 0.03 0.00 -1.25 0.00 0.00 55.69 53.89 1tt6 s MET 13 Cb -0.12 -0.63 0.01 0.00 1.25 0.00 0.00 34.83 35.33 1tt6 s MET 13 CO -0.04 0.15 -0.15 0.08 1.05 0.00 0.00 175.02 176.11 1tt6 s VAL 14 N -0.82 1.36 -0.07 10.11 1.01 -0.86 -0.50 120.40 130.62 1tt6 s VAL 14 Ca -0.02 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.36 1tt6 s VAL 14 Cb -0.07 -1.20 0.01 0.00 0.00 0.00 0.00 36.38 35.12 1tt6 s VAL 14 CO 0.01 0.40 -0.13 -0.75 0.00 0.00 0.00 175.10 174.63 1tt6 s LYS 15 N 0.43 1.79 -0.07 2.72 2.20 -0.01 -0.59 119.74 126.21 1tt6 s LYS 15 Ca -0.12 -0.45 0.01 0.00 -0.36 0.00 0.00 55.97 55.05 1tt6 s LYS 15 Cb -0.15 -1.47 0.02 0.00 -1.51 0.00 0.00 37.83 34.72 1tt6 s LYS 15 CO 0.04 0.05 -0.09 0.08 -0.36 0.00 0.00 175.35 175.07 1tt6 s VAL 16 N 0.62 0.95 0.17 4.02 1.01 0.09 -0.49 120.40 126.77 1tt6 s VAL 16 Ca -0.15 -0.34 0.10 0.00 0.00 0.00 0.00 61.98 61.60 1tt6 s VAL 16 Cb -0.16 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 1tt6 s VAL 16 CO 0.04 0.33 -0.16 -0.76 0.00 0.00 0.00 175.10 174.54 1tt6 s LEU 17 N 1.00 2.73 -0.30 3.92 1.43 -0.23 -0.97 118.68 126.26 1tt6 s LEU 17 Ca -0.09 -0.67 -0.09 0.00 -1.03 0.00 0.00 54.13 52.25 1tt6 s LEU 17 Cb -0.15 -1.46 -0.02 0.00 0.03 0.00 0.00 46.19 44.59 1tt6 s LEU 17 CO -0.00 0.13 0.14 -0.62 0.23 0.00 0.00 176.35 176.23 1tt6 s ASP 18 N -2.62 5.52 0.00 2.29 -1.08 0.13 -0.98 116.67 119.93 1tt6 s ASP 18 Ca 0.22 -0.41 0.29 0.00 -0.52 0.00 0.00 52.55 52.13 1tt6 s ASP 18 Cb -0.09 -2.00 1.23 0.00 -1.46 0.00 0.00 42.92 40.60 1tt6 s ASP 18 CO 0.12 -0.15 1.88 0.00 0.52 0.00 0.00 175.17 177.55 1tt6 n ALA 19 N 4.98 2.64 -0.03 3.66 0.00 0.15 -1.53 120.51 130.39 1tt6 n ALA 19 Ca -0.14 -0.19 -0.22 0.00 0.00 0.00 0.00 53.44 52.89 1tt6 n ALA 19 Cb 0.50 -1.40 -0.13 0.00 0.00 0.00 0.00 19.45 18.42 1tt6 n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1tt6 n VAL 20 N -1.29 1.72 0.06 0.00 0.31 -1.26 -4.43 118.33 113.44 1tt6 n VAL 20 Ca 0.11 -0.49 0.10 0.00 -0.01 0.00 0.00 64.34 64.05 1tt6 n VAL 20 Cb 0.29 -1.82 -0.05 0.00 -0.91 0.00 0.00 33.84 31.35 1tt6 n VAL 20 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1tt6 n ARG 21 N -3.75 0.62 -2.68 5.55 1.74 -1.24 -4.99 116.66 111.91 1tt6 n ARG 21 Ca -0.32 0.05 -0.08 0.00 -0.77 0.00 0.00 57.85 56.73 1tt6 n ARG 21 Cb 0.95 -1.74 0.04 0.00 -1.02 0.00 0.00 32.46 30.69 1tt6 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1tt6 n GLY 22 N 1.23 0.07 3.48 -0.13 0.00 -0.58 -5.05 105.19 104.21 1tt6 n GLY 22 Ca -0.03 -0.21 -0.09 0.00 0.00 0.00 0.00 46.02 45.69 1tt6 n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1tt6 s SER 23 N -3.62 -0.08 0.64 1.61 1.04 -1.10 -5.00 113.70 107.19 1tt6 s SER 23 Ca 0.01 -0.82 -0.18 0.00 0.48 0.00 0.00 55.95 55.44 1tt6 s SER 23 Cb -0.00 0.53 -0.02 0.00 0.10 0.00 0.00 66.02 66.62 1tt6 s SER 23 CO 0.34 -1.03 1.18 -0.81 0.98 0.00 0.00 173.24 173.90 1tt6 n PRO 24 N -0.31 1.02 -3.18 4.02 -0.04 -1.26 0.19 135.00 135.43 1tt6 n PRO 24 Ca -0.05 0.40 -0.43 0.00 -0.04 0.00 0.00 63.50 63.38 1tt6 n PRO 24 Cb 0.62 -2.41 -0.07 0.00 -0.04 0.00 0.00 33.50 31.60 1tt6 n PRO 24 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1tt6 s ALA 25 N -1.44 3.38 0.01 0.55 0.00 -0.14 -4.52 121.76 119.60 1tt6 s ALA 25 Ca 0.81 -1.39 -0.08 0.00 0.00 0.00 0.00 51.96 51.29 1tt6 s ALA 25 Cb -0.39 -3.23 -0.05 0.00 0.00 0.00 0.00 23.12 19.45 1tt6 s ALA 25 CO 0.42 -1.76 0.30 0.42 0.00 0.00 0.00 175.76 175.14 1tt6 s ILE 26 N 2.58 5.25 -1.15 0.00 1.01 -1.26 -4.29 121.20 123.33 1tt6 s ILE 26 Ca 0.18 0.30 0.00 0.00 0.00 0.00 0.00 60.65 61.13 1tt6 s ILE 26 Cb -0.16 -3.58 0.00 0.00 0.01 0.00 0.00 42.46 38.73 1tt6 s ILE 26 CO 0.16 0.39 0.00 0.59 0.00 0.00 0.00 174.94 176.08 1tt6 n ASN 27 N 1.21 -4.16 -4.68 3.58 3.02 -0.49 -4.95 115.26 108.79 1tt6 n ASN 27 Ca -0.11 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.02 1tt6 n ASN 27 Cb 0.53 -3.32 -0.04 0.00 -0.61 0.00 0.00 39.78 36.34 1tt6 n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1tt6 s VAL 28 N -2.66 4.86 0.25 2.41 1.01 -1.26 -4.75 120.40 120.26 1tt6 s VAL 28 Ca 0.00 1.76 -0.30 0.00 0.00 0.00 0.00 61.98 63.44 1tt6 s VAL 28 Cb 0.00 -4.19 -0.09 0.00 0.00 0.00 0.00 36.38 32.10 1tt6 s VAL 28 CO 0.00 0.04 1.09 0.00 0.00 0.00 0.00 175.10 176.23 1tt6 s ALA 29 N 1.99 3.39 -0.06 5.51 0.00 -1.26 -1.45 121.76 129.88 1tt6 s ALA 29 Ca 0.42 0.86 0.01 0.00 0.00 0.00 0.00 51.96 53.25 1tt6 s ALA 29 Cb -0.17 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 19.64 1tt6 s ALA 29 CO 0.15 -0.16 -0.07 0.08 0.00 0.00 0.00 175.76 175.76 1tt6 s VAL 30 N -0.87 0.82 -0.07 0.00 1.01 0.01 -0.58 120.40 120.72 1tt6 s VAL 30 Ca 0.46 -0.26 0.05 0.00 0.00 0.00 0.00 61.98 62.22 1tt6 s VAL 30 Cb -0.31 -0.81 -0.01 0.00 0.00 0.00 0.00 36.38 35.25 1tt6 s VAL 30 CO 0.39 0.30 -0.21 -1.00 0.00 0.00 0.00 175.10 174.57 1tt6 s HIS 31 N 1.01 2.54 -0.10 5.22 3.76 -0.18 -1.30 115.29 126.24 1tt6 s HIS 31 Ca -0.09 -0.61 0.02 0.00 -0.15 0.00 0.00 55.06 54.23 1tt6 s HIS 31 Cb -0.14 -1.64 -0.02 0.00 1.11 0.00 0.00 32.58 31.89 1tt6 s HIS 31 CO -0.00 -0.15 -0.16 0.08 -0.85 0.00 0.00 174.74 173.66 1tt6 s VAL 32 N -0.19 2.85 0.19 -0.90 1.01 0.19 -0.16 120.40 123.39 1tt6 s VAL 32 Ca -0.02 -0.76 0.11 0.00 0.00 0.00 0.00 61.98 61.31 1tt6 s VAL 32 Cb -0.14 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 1tt6 s VAL 32 CO 0.03 0.55 -0.22 -0.36 0.00 0.00 0.00 175.10 175.11 1tt6 s PHE 33 N -0.00 2.15 -0.05 5.22 0.40 0.47 -0.20 117.98 125.97 1tt6 s PHE 33 Ca -0.05 -0.39 0.03 0.00 -0.60 0.00 0.00 56.93 55.93 1tt6 s PHE 33 Cb -0.14 -1.05 0.00 0.00 0.51 0.00 0.00 43.02 42.34 1tt6 s PHE 33 CO 0.04 0.47 -0.15 0.50 0.70 0.00 0.00 175.22 176.79 1tt6 s ARG 34 N -2.80 1.71 0.07 0.44 3.52 0.68 -0.52 118.95 122.06 1tt6 s ARG 34 Ca 0.20 -0.51 -0.31 0.00 -0.13 0.00 0.00 55.73 54.98 1tt6 s ARG 34 Cb -0.07 -1.45 -0.07 0.00 -1.56 0.00 0.00 34.95 31.79 1tt6 s ARG 34 CO 0.09 0.15 1.48 0.21 -0.81 0.00 0.00 175.30 176.43 1tt6 s LYS 35 N 0.29 4.26 0.59 5.12 2.20 0.03 -1.27 119.74 130.97 1tt6 s LYS 35 Ca -0.08 2.14 0.00 0.00 -0.36 0.00 0.00 55.97 57.67 1tt6 s LYS 35 Cb -0.13 -3.43 0.05 0.00 -1.51 0.00 0.00 37.83 32.81 1tt6 s LYS 35 CO 0.03 -0.58 0.84 0.00 -0.36 0.00 0.00 175.35 175.27 1tt6 s ALA 36 N 1.93 3.80 0.32 3.13 0.00 0.18 -4.70 121.76 126.42 1tt6 s ALA 36 Ca 0.67 -1.36 0.07 0.00 0.00 0.00 0.00 51.96 51.35 1tt6 s ALA 36 Cb -0.37 -2.12 0.77 0.00 0.00 0.00 0.00 23.12 21.41 1tt6 s ALA 36 CO 0.30 -0.92 1.79 0.00 0.00 0.00 0.00 175.76 176.93 1tt6 h ALA 37 N -0.10 1.74 0.00 0.00 0.00 -1.94 0.47 119.26 119.42 1tt6 h ALA 37 Ca -0.41 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1tt6 h ALA 37 Cb 1.29 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1tt6 h ALA 37 CO 0.51 -0.09 0.00 -0.40 0.00 0.00 0.00 179.25 179.27 1tt6 n ASP 38 N -4.71 0.00 -0.01 0.00 5.68 -1.26 -4.85 116.55 111.39 1tt6 n ASP 38 Ca 0.22 -0.69 -0.00 0.00 -0.50 0.00 0.00 54.79 53.83 1tt6 n ASP 38 Cb 0.57 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.55 1tt6 n ASP 38 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1tt6 n ASP 39 N -1.00 -3.48 -4.93 -1.12 5.68 0.16 -5.03 116.55 106.83 1tt6 n ASP 39 Ca 0.16 0.00 -0.25 0.00 -0.50 0.00 0.00 54.79 54.20 1tt6 n ASP 39 Cb 0.07 -0.99 0.01 0.00 -1.14 0.00 0.00 41.12 39.07 1tt6 n ASP 39 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1tt6 s THR 40 N -1.85 4.41 -0.57 2.12 -1.32 -1.26 -4.79 115.64 112.37 1tt6 s THR 40 Ca 0.00 -0.18 -0.21 0.00 -1.21 0.00 0.00 61.69 60.09 1tt6 s THR 40 Cb 0.00 -3.66 0.07 0.00 -1.51 0.00 0.00 72.50 67.40 1tt6 s THR 40 CO 0.00 -0.56 0.79 0.26 -2.21 0.00 0.00 174.62 172.90 1tt6 s TRP 41 N -2.66 2.89 0.07 9.09 0.52 -1.26 -0.65 118.94 126.95 1tt6 s TRP 41 Ca 0.48 -0.54 -0.23 0.00 0.02 0.00 0.00 56.10 55.83 1tt6 s TRP 41 Cb -0.10 -3.94 -0.06 0.00 -1.15 0.00 0.00 33.47 28.22 1tt6 s TRP 41 CO 0.41 -1.31 0.69 -1.21 0.02 0.00 0.00 176.95 175.55 1tt6 s GLU 42 N 3.25 4.41 0.26 4.98 8.01 -0.39 -4.83 118.70 134.39 1tt6 s GLU 42 Ca 0.19 0.95 -0.31 0.00 0.01 0.00 0.00 54.97 55.81 1tt6 s GLU 42 Cb -0.19 -3.31 -0.13 0.00 -4.31 0.00 0.00 34.13 26.20 1tt6 s GLU 42 CO 0.11 0.45 1.38 -2.30 0.01 0.00 0.00 175.26 174.92 1tt6 n PRO 43 N 2.24 2.05 0.00 0.39 -0.02 -1.26 -0.23 135.00 138.17 1tt6 n PRO 43 Ca -0.06 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1tt6 n PRO 43 Cb 0.50 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 1tt6 n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1tt6 n PHE 44 N 1.61 0.00 -3.52 6.00 7.35 0.72 -4.74 117.46 124.89 1tt6 n PHE 44 Ca 0.10 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.71 1tt6 n PHE 44 Cb 0.32 0.03 -0.02 0.00 0.35 0.00 0.00 39.48 40.17 1tt6 n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1tt6 s ALA 45 N -1.98 -1.79 0.18 3.13 0.00 -0.91 -5.00 121.76 115.40 1tt6 s ALA 45 Ca 0.00 0.89 -0.18 0.00 0.00 0.00 0.00 51.96 52.67 1tt6 s ALA 45 Cb 0.00 0.47 0.03 0.00 0.00 0.00 0.00 23.12 23.62 1tt6 s ALA 45 CO 0.00 -0.73 0.51 -1.54 0.00 0.00 0.00 175.76 174.00 1tt6 s SER 46 N -2.55 -0.27 0.00 0.00 1.04 -1.26 0.53 113.70 111.19 1tt6 s SER 46 Ca 0.05 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.05 1tt6 s SER 46 Cb -0.01 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.67 1tt6 s SER 46 CO -0.08 -1.02 0.00 0.61 0.98 0.00 0.00 173.24 173.73 1tt6 n GLY 47 N -0.33 0.86 3.02 7.32 0.00 -0.42 -4.95 105.19 110.71 1tt6 n GLY 47 Ca -0.11 -0.82 -0.17 0.00 0.00 0.00 0.00 46.02 44.92 1tt6 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tt6 s LYS 48 N -1.57 0.61 0.57 1.61 1.02 -1.26 -0.81 119.74 119.91 1tt6 s LYS 48 Ca 0.00 -0.41 -0.18 0.00 0.02 0.00 0.00 55.97 55.40 1tt6 s LYS 48 Cb 0.00 -0.56 -0.05 0.00 -0.52 0.00 0.00 37.83 36.71 1tt6 s LYS 48 CO 0.00 0.14 1.12 0.95 -0.92 0.00 0.00 175.35 176.65 1tt6 s THR 49 N -0.47 3.21 0.42 2.17 -4.23 -0.53 -4.73 115.64 111.48 1tt6 s THR 49 Ca 0.00 0.70 -0.05 0.00 -1.18 0.00 0.00 61.69 61.17 1tt6 s THR 49 Cb -0.05 -3.25 0.09 0.00 1.34 0.00 0.00 72.50 70.63 1tt6 s THR 49 CO 0.00 -0.21 0.57 -1.54 -0.54 0.00 0.00 174.62 172.90 1tt6 n SER 50 N -1.56 0.28 0.24 3.99 3.41 -0.03 -1.40 113.62 118.54 1tt6 n SER 50 Ca 0.11 -1.35 0.16 0.00 -0.26 0.00 0.00 58.87 57.53 1tt6 n SER 50 Cb 0.51 -0.41 0.83 0.00 -0.26 0.00 0.00 64.21 64.88 1tt6 n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1tt6 h GLU 51 N 0.00 0.00 -0.07 4.33 4.39 -1.93 -0.34 114.58 120.96 1tt6 h GLU 51 Ca -0.18 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.52 1tt6 h GLU 51 Cb 0.57 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 1tt6 h GLU 51 CO 0.15 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.87 1tt6 n SER 52 N -2.63 2.37 0.00 1.42 3.41 -1.26 -4.79 113.62 112.14 1tt6 n SER 52 Ca -0.02 -1.79 0.00 0.00 -0.26 0.00 0.00 58.87 56.81 1tt6 n SER 52 Cb 0.09 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 1tt6 n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tt6 n GLY 53 N 1.28 0.57 3.74 5.00 0.00 -0.14 -4.79 105.19 110.85 1tt6 n GLY 53 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1tt6 n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tt6 s GLU 54 N -0.06 2.84 -0.24 1.61 2.02 -1.26 -0.73 118.70 122.87 1tt6 s GLU 54 Ca 0.00 -0.65 0.00 0.00 0.02 0.00 0.00 54.97 54.34 1tt6 s GLU 54 Cb 0.00 -2.71 0.07 0.00 0.10 0.00 0.00 34.13 31.59 1tt6 s GLU 54 CO 0.00 0.59 -0.01 -1.17 0.02 0.00 0.00 175.26 174.70 1tt6 s LEU 55 N -2.03 2.41 0.39 1.80 2.96 0.24 -0.85 118.68 123.60 1tt6 s LEU 55 Ca 0.25 -1.24 0.08 0.00 -0.22 0.00 0.00 54.13 52.99 1tt6 s LEU 55 Cb -0.12 -1.05 -0.03 0.00 0.50 0.00 0.00 46.19 45.48 1tt6 s LEU 55 CO 0.17 -0.28 0.27 -1.00 -1.32 0.00 0.00 176.35 174.18 1tt6 s HIS 56 N 1.48 2.71 -0.52 5.38 3.76 -1.26 -2.04 115.29 124.81 1tt6 s HIS 56 Ca -0.02 -0.46 0.00 0.00 -0.15 0.00 0.00 55.06 54.43 1tt6 s HIS 56 Cb -0.18 -1.95 0.00 0.00 1.11 0.00 0.00 32.58 31.55 1tt6 s HIS 56 CO -0.09 0.09 0.00 0.41 -0.85 0.00 0.00 174.74 174.30 1tt6 n GLY 57 N -1.36 0.76 0.31 -2.22 0.00 -1.26 -4.91 105.19 96.51 1tt6 n GLY 57 Ca 0.00 -0.77 -0.04 0.00 0.00 0.00 0.00 46.02 45.21 1tt6 n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1tt6 h LEU 58 N 0.00 0.89 0.00 0.99 3.38 -1.86 -3.47 115.31 115.24 1tt6 h LEU 58 Ca -0.10 -0.16 -0.17 0.00 0.09 0.00 0.00 57.88 57.54 1tt6 h LEU 58 Cb 0.34 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1tt6 h LEU 58 CO 0.15 0.84 0.02 1.07 0.09 0.00 0.00 178.44 180.61 1tt6 n THR 59 N -4.27 0.00 -4.42 0.22 5.66 -1.26 -4.75 114.28 105.45 1tt6 n THR 59 Ca 0.05 -1.39 -0.21 0.00 -3.05 0.00 0.00 64.05 59.45 1tt6 n THR 59 Cb 0.22 1.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.90 1tt6 n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1tt6 s THR 60 N -2.54 1.85 0.33 1.09 -4.23 -1.26 -4.56 115.64 106.32 1tt6 s THR 60 Ca 0.23 -2.20 0.05 0.00 -1.18 0.00 0.00 61.69 58.59 1tt6 s THR 60 Cb -0.02 -2.34 0.30 0.00 1.34 0.00 0.00 72.50 71.78 1tt6 s THR 60 CO 0.16 -0.38 1.88 1.05 -0.54 0.00 0.00 174.62 176.79 1tt6 h GLU 61 N 2.33 0.83 -0.43 3.99 9.09 -1.98 -0.62 114.58 127.78 1tt6 h GLU 61 Ca -0.40 -0.05 -0.06 0.00 0.05 0.00 0.00 59.36 58.91 1tt6 h GLU 61 Cb 1.24 -0.19 -0.02 0.00 -1.65 0.00 0.00 28.75 28.13 1tt6 h GLU 61 CO 0.65 0.55 0.04 0.93 0.05 0.00 0.00 179.01 181.23 1tt6 h GLU 62 N 0.85 0.73 0.00 1.06 5.08 -2.04 -3.23 114.58 117.03 1tt6 h GLU 62 Ca 0.43 -0.21 -0.19 0.00 -1.00 0.00 0.00 59.36 58.39 1tt6 h GLU 62 Cb 0.50 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 1tt6 h GLU 62 CO -0.20 0.77 -0.91 0.93 -1.00 0.00 0.00 179.01 178.60 1tt6 h GLU 63 N 0.58 0.00 -3.83 2.33 5.08 -1.84 -3.39 114.58 113.50 1tt6 h GLU 63 Ca 0.13 0.00 -0.72 0.00 -1.00 0.00 0.00 59.36 57.76 1tt6 h GLU 63 Cb 0.42 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.59 1tt6 h GLU 63 CO 0.01 0.91 2.82 0.34 -1.00 0.00 0.00 179.01 182.10 1tt6 n PHE 64 N -3.38 3.34 -1.66 4.33 7.35 -0.29 -4.95 117.46 122.20 1tt6 n PHE 64 Ca 0.00 -2.92 -0.30 0.00 -0.76 0.00 0.00 57.45 53.47 1tt6 n PHE 64 Cb 0.89 -2.38 0.17 0.00 0.35 0.00 0.00 39.48 38.52 1tt6 n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1tt6 s VAL 65 N 2.34 1.92 0.37 -2.13 -7.23 -1.26 -4.95 120.40 109.46 1tt6 s VAL 65 Ca 0.45 0.00 -0.26 0.00 -1.81 0.00 0.00 61.98 60.36 1tt6 s VAL 65 Cb 0.13 -2.84 -0.12 0.00 0.56 0.00 0.00 36.38 34.12 1tt6 s VAL 65 CO -0.06 0.00 1.12 1.21 -0.31 0.00 0.00 175.10 177.06 1tt6 n GLU 66 N -3.92 1.63 -3.76 4.82 2.13 -1.26 -4.80 120.64 115.48 1tt6 n GLU 66 Ca 0.12 0.58 0.00 0.00 0.66 0.00 0.00 57.16 58.52 1tt6 n GLU 66 Cb 0.60 -2.13 0.00 0.00 0.27 0.00 0.00 31.44 30.18 1tt6 n GLU 66 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1tt6 n GLY 67 N 1.03 -2.45 3.64 8.31 0.00 -1.02 -5.00 105.19 109.71 1tt6 n GLY 67 Ca 0.08 -1.25 -0.35 0.00 0.00 0.00 0.00 46.02 44.50 1tt6 n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tt6 s ILE 68 N -2.05 5.06 0.13 -0.61 1.01 -1.26 -0.67 121.20 122.81 1tt6 s ILE 68 Ca 0.00 0.07 0.11 0.00 0.00 0.00 0.00 60.65 60.83 1tt6 s ILE 68 Cb 0.00 -3.32 -0.04 0.00 0.01 0.00 0.00 42.46 39.11 1tt6 s ILE 68 CO 0.00 0.40 -0.25 -0.31 0.00 0.00 0.00 174.94 174.78 1tt6 s TYR 69 N 0.72 2.34 -0.12 3.97 1.51 0.29 -0.79 117.35 125.27 1tt6 s TYR 69 Ca 0.06 -0.36 0.00 0.00 -1.01 0.00 0.00 57.07 55.76 1tt6 s TYR 69 Cb -0.13 -1.25 0.02 0.00 -0.11 0.00 0.00 41.96 40.49 1tt6 s TYR 69 CO 0.02 0.36 -0.12 0.21 -1.11 0.00 0.00 175.55 174.91 1tt6 s LYS 70 N -2.12 1.95 -0.32 -0.62 2.20 0.32 -1.45 119.74 119.70 1tt6 s LYS 70 Ca 0.15 -0.43 -0.10 0.00 -0.36 0.00 0.00 55.97 55.23 1tt6 s LYS 70 Cb -0.10 -1.82 -0.01 0.00 -1.51 0.00 0.00 37.83 34.40 1tt6 s LYS 70 CO 0.07 -0.20 0.17 0.08 -0.36 0.00 0.00 175.35 175.11 1tt6 s VAL 71 N 1.41 4.69 -0.25 4.02 1.01 0.35 -0.40 120.40 131.23 1tt6 s VAL 71 Ca 0.01 -0.43 -0.07 0.00 0.00 0.00 0.00 61.98 61.49 1tt6 s VAL 71 Cb -0.13 -3.42 -0.02 0.00 0.00 0.00 0.00 36.38 32.81 1tt6 s VAL 71 CO -0.07 0.03 0.05 -0.70 0.00 0.00 0.00 175.10 174.41 1tt6 s GLU 72 N 1.62 3.56 -0.24 2.72 2.12 0.77 -0.51 118.70 128.75 1tt6 s GLU 72 Ca 0.05 -0.53 -0.08 0.00 0.36 0.00 0.00 54.97 54.76 1tt6 s GLU 72 Cb -0.17 -3.28 -0.04 0.00 0.26 0.00 0.00 34.13 30.90 1tt6 s GLU 72 CO 0.07 -0.21 0.10 0.42 -0.54 0.00 0.00 175.26 175.09 1tt6 s ILE 73 N 1.58 4.71 -1.37 -3.70 1.01 0.95 -1.01 121.20 123.37 1tt6 s ILE 73 Ca 0.06 -0.04 -0.13 0.00 0.00 0.00 0.00 60.65 60.54 1tt6 s ILE 73 Cb -0.15 -3.19 0.09 0.00 0.01 0.00 0.00 42.46 39.21 1tt6 s ILE 73 CO 0.02 0.35 2.01 0.47 0.00 0.00 0.00 174.94 177.79 1tt6 n ASP 74 N 4.59 4.45 -0.10 3.58 8.00 0.25 -1.01 116.55 136.31 1tt6 n ASP 74 Ca -0.16 -2.94 -0.04 0.00 0.71 0.00 0.00 54.79 52.37 1tt6 n ASP 74 Cb 0.52 -1.62 0.18 0.00 -0.02 0.00 0.00 41.12 40.18 1tt6 n ASP 74 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1tt6 h THR 75 N 4.19 1.24 -0.01 -3.53 1.35 -1.86 -2.86 112.91 111.42 1tt6 h THR 75 Ca 0.49 -0.98 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 1tt6 h THR 75 Cb 0.69 0.89 -0.00 0.00 -1.73 0.00 0.00 68.15 67.99 1tt6 h THR 75 CO 1.71 0.34 0.01 0.50 -0.25 0.00 0.00 175.52 177.83 1tt6 h LYS 76 N 0.71 0.02 -0.51 4.72 3.64 -1.68 -0.85 116.57 122.62 1tt6 h LYS 76 Ca 0.14 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1tt6 h LYS 76 Cb 0.44 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.23 1tt6 h LYS 76 CO 0.02 0.02 0.33 0.77 -2.27 0.00 0.00 179.45 178.32 1tt6 h SER 77 N 0.01 0.59 0.24 4.20 0.02 -1.81 -0.45 113.55 116.35 1tt6 h SER 77 Ca 0.00 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1tt6 h SER 77 Cb 0.00 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.40 1tt6 h SER 77 CO -0.00 0.43 -0.12 0.22 -1.14 0.00 0.00 176.83 176.22 1tt6 h TYR 78 N 0.69 -0.30 -0.78 3.45 3.20 -1.19 -1.88 116.97 120.16 1tt6 h TYR 78 Ca 0.19 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.00 1tt6 h TYR 78 Cb -0.08 0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.26 1tt6 h TYR 78 CO 0.00 -0.06 0.31 -1.49 -1.64 0.00 0.00 178.16 175.28 1tt6 h TRP 79 N -0.50 1.19 -0.04 -3.82 4.06 -0.81 -2.80 115.95 113.23 1tt6 h TRP 79 Ca -0.03 -0.09 -0.08 0.00 2.06 0.00 0.00 58.89 60.75 1tt6 h TRP 79 Cb 0.37 -0.36 -0.01 0.00 -1.00 0.00 0.00 29.16 28.17 1tt6 h TRP 79 CO -0.01 0.90 -0.34 0.87 -3.56 0.00 0.00 178.44 176.30 1tt6 h LYS 80 N 1.13 0.08 0.00 0.49 1.57 -0.89 0.55 116.57 119.51 1tt6 h LYS 80 Ca 0.26 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.98 1tt6 h LYS 80 Cb 0.22 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 1tt6 h LYS 80 CO -0.02 0.41 -0.13 0.00 -0.57 0.00 0.00 179.45 179.15 1tt6 h ALA 81 N 1.59 1.03 -0.26 3.86 0.00 -1.08 -1.55 119.26 122.85 1tt6 h ALA 81 Ca 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1tt6 h ALA 81 Cb 0.64 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1tt6 h ALA 81 CO 0.05 0.16 0.00 1.28 0.00 0.00 0.00 179.25 180.74 1tt6 n LEU 82 N -3.29 2.13 -0.64 0.00 4.77 -0.69 -4.92 117.00 114.36 1tt6 n LEU 82 Ca 0.00 -0.94 -0.05 0.00 -0.03 0.00 0.00 56.01 54.99 1tt6 n LEU 82 Cb 0.37 -0.17 -0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1tt6 n LEU 82 CO 0.31 0.47 -0.05 0.61 -1.33 0.00 0.00 177.39 177.39 1tt6 n GLY 83 N 1.21 0.21 3.21 -0.72 0.00 -0.58 -5.05 105.19 103.47 1tt6 n GLY 83 Ca 0.16 -0.66 -0.27 0.00 0.00 0.00 0.00 46.02 45.26 1tt6 n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tt6 s ILE 84 N -2.33 1.60 -0.51 -0.61 1.01 0.10 -4.99 121.20 115.47 1tt6 s ILE 84 Ca 0.01 -0.88 -0.17 0.00 0.00 0.00 0.00 60.65 59.62 1tt6 s ILE 84 Cb -0.01 -1.33 0.09 0.00 0.01 0.00 0.00 42.46 41.22 1tt6 s ILE 84 CO 0.02 0.44 0.50 -0.55 0.00 0.00 0.00 174.94 175.34 1tt6 s SER 85 N -0.51 6.18 0.67 3.58 0.15 -1.26 -2.73 113.70 119.77 1tt6 s SER 85 Ca 0.08 -1.36 0.00 0.00 0.70 0.00 0.00 55.95 55.36 1tt6 s SER 85 Cb -0.08 -2.22 0.10 0.00 -1.71 0.00 0.00 66.02 62.11 1tt6 s SER 85 CO -0.01 -0.79 0.93 -2.16 1.20 0.00 0.00 173.24 172.41 1tt6 s PRO 86 N 1.94 1.92 -0.13 5.44 0.04 -1.26 -5.01 135.00 137.94 1tt6 s PRO 86 Ca 0.07 -1.04 -0.20 0.00 0.04 0.00 0.00 61.00 59.87 1tt6 s PRO 86 Cb -0.25 -2.38 -0.25 0.00 0.04 0.00 0.00 34.50 31.66 1tt6 s PRO 86 CO 0.07 -1.24 0.54 0.35 0.04 0.00 0.00 177.00 176.75 1tt6 h PHE 87 N -0.36 0.27 -3.55 0.56 3.57 -1.45 -3.48 116.94 112.50 1tt6 h PHE 87 Ca -0.38 -0.20 -0.52 0.00 3.53 0.00 0.00 57.97 60.41 1tt6 h PHE 87 Cb 1.28 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.97 1tt6 h PHE 87 CO -0.02 1.43 0.05 -1.01 -2.23 0.00 0.00 178.31 176.53 1tt6 s HIS 88 N -2.40 3.54 0.12 0.41 3.76 -1.26 -4.98 115.29 114.48 1tt6 s HIS 88 Ca -0.21 1.23 -0.13 0.00 -0.15 0.00 0.00 55.06 55.80 1tt6 s HIS 88 Cb 0.03 -2.51 -0.07 0.00 1.11 0.00 0.00 32.58 31.14 1tt6 s HIS 88 CO 0.72 0.28 1.44 0.93 -0.85 0.00 0.00 174.74 177.26 1tt6 h GLU 89 N 3.04 0.81 0.00 1.40 4.39 -1.97 -3.34 114.58 118.91 1tt6 h GLU 89 Ca -0.48 -0.43 0.08 0.00 0.34 0.00 0.00 59.36 58.87 1tt6 h GLU 89 Cb 1.19 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.84 1tt6 h GLU 89 CO 0.66 1.07 0.46 -2.39 -1.16 0.00 0.00 179.01 177.64 1tt6 n HIS 90 N -4.17 -1.81 -4.65 4.33 1.44 -1.26 -3.17 115.22 105.93 1tt6 n HIS 90 Ca -0.03 -1.54 -0.33 0.00 -2.01 0.00 0.00 57.72 53.81 1tt6 n HIS 90 Cb 0.51 0.76 -0.13 0.00 0.12 0.00 0.00 29.99 31.25 1tt6 n HIS 90 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1tt6 s ALA 91 N -2.06 2.80 -0.06 1.59 0.00 -0.18 -4.87 121.76 118.98 1tt6 s ALA 91 Ca 0.20 -0.87 0.06 0.00 0.00 0.00 0.00 51.96 51.34 1tt6 s ALA 91 Cb -0.04 -1.30 -0.01 0.00 0.00 0.00 0.00 23.12 21.77 1tt6 s ALA 91 CO 0.08 0.32 -0.24 -1.21 0.00 0.00 0.00 175.76 174.72 1tt6 s GLU 92 N 0.07 2.58 -0.20 0.00 8.01 -1.26 -0.04 118.70 127.86 1tt6 s GLU 92 Ca -0.03 -0.88 0.00 0.00 0.01 0.00 0.00 54.97 54.07 1tt6 s GLU 92 Cb -0.14 -2.20 0.05 0.00 -4.31 0.00 0.00 34.13 27.53 1tt6 s GLU 92 CO 0.04 0.40 -0.07 0.08 0.01 0.00 0.00 175.26 175.71 1tt6 s VAL 93 N -0.19 1.46 -0.15 2.63 1.01 0.34 -4.97 120.40 120.52 1tt6 s VAL 93 Ca -0.02 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 60.98 1tt6 s VAL 93 Cb -0.13 -1.63 0.00 0.00 0.00 0.00 0.00 36.38 34.62 1tt6 s VAL 93 CO 0.03 0.06 -0.18 -0.69 0.00 0.00 0.00 175.10 174.33 1tt6 s VAL 94 N 1.46 2.43 -0.04 2.92 1.01 -1.26 -0.50 120.40 126.42 1tt6 s VAL 94 Ca -0.02 -0.85 -0.24 0.00 0.00 0.00 0.00 61.98 60.87 1tt6 s VAL 94 Cb -0.17 -2.01 0.05 0.00 0.00 0.00 0.00 36.38 34.25 1tt6 s VAL 94 CO -0.07 0.53 0.53 0.72 0.00 0.00 0.00 175.10 176.80 1tt6 s PHE 95 N 0.88 -0.46 0.08 5.22 -0.71 -0.53 -4.98 117.98 117.47 1tt6 s PHE 95 Ca -0.05 0.79 -0.30 0.00 -1.04 0.00 0.00 56.93 56.33 1tt6 s PHE 95 Cb -0.15 0.28 -0.05 0.00 -1.21 0.00 0.00 43.02 41.89 1tt6 s PHE 95 CO -0.02 -0.51 1.02 0.99 -1.34 0.00 0.00 175.22 175.36 1tt6 s THR 96 N -1.21 4.45 0.05 -4.49 2.01 -1.26 -0.55 115.64 114.64 1tt6 s THR 96 Ca -0.12 1.91 0.09 0.00 0.31 0.00 0.00 61.69 63.87 1tt6 s THR 96 Cb -0.02 -4.22 -0.03 0.00 0.01 0.00 0.00 72.50 68.24 1tt6 s THR 96 CO 0.07 0.23 -0.24 0.00 -0.69 0.00 0.00 174.62 174.00 1tt6 s ALA 97 N 0.44 2.04 -1.51 7.40 0.00 0.16 -4.81 121.76 125.48 1tt6 s ALA 97 Ca 0.51 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 51.28 1tt6 s ALA 97 Cb -0.24 -0.41 0.00 0.00 0.00 0.00 0.00 23.12 22.46 1tt6 s ALA 97 CO 0.30 0.47 0.00 0.09 0.00 0.00 0.00 175.76 176.62 1tt6 n ASN 98 N 1.76 -4.75 0.24 0.00 3.02 -1.26 -2.43 115.26 111.84 1tt6 n ASN 98 Ca -0.17 0.25 0.12 0.00 -0.03 0.00 0.00 54.58 54.75 1tt6 n ASN 98 Cb 0.53 -3.68 0.57 0.00 -0.61 0.00 0.00 39.78 36.59 1tt6 n ASN 98 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 1tt6 h ASP 99 N 0.00 0.00 -0.25 6.41 -0.00 -1.93 -2.69 116.42 117.96 1tt6 h ASP 99 Ca -0.33 0.00 -0.16 0.00 -0.00 0.00 0.00 57.03 56.54 1tt6 h ASP 99 Cb 1.08 0.00 -0.12 0.00 -0.00 0.00 0.00 39.33 40.29 1tt6 h ASP 99 CO 0.45 0.16 -0.44 -1.20 -0.00 0.00 0.00 179.24 178.20 1tt6 n SER 100 N -3.38 2.64 0.00 4.15 7.64 -1.26 -5.07 113.62 118.33 1tt6 n SER 100 Ca -0.00 -3.85 0.00 0.00 1.01 0.00 0.00 58.87 56.02 1tt6 n SER 100 Cb 0.36 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 1tt6 n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1tt6 n GLY 101 N -1.04 1.96 3.74 0.23 0.00 -1.01 -5.02 105.19 104.06 1tt6 n GLY 101 Ca 0.28 -2.02 -0.41 0.00 0.00 0.00 0.00 46.02 43.87 1tt6 n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1tt6 s PRO 102 N -2.27 4.20 0.23 1.61 0.04 -1.26 -4.25 135.00 133.30 1tt6 s PRO 102 Ca 0.00 2.43 0.05 0.00 0.04 0.00 0.00 61.00 63.52 1tt6 s PRO 102 Cb 0.00 -3.08 -0.05 0.00 0.04 0.00 0.00 34.50 31.41 1tt6 s PRO 102 CO 0.00 -0.53 -0.05 1.03 0.04 0.00 0.00 177.00 177.50 1tt6 s ARG 103 N -0.30 1.36 -0.21 4.56 1.81 -1.26 -4.91 118.95 120.00 1tt6 s ARG 103 Ca 0.62 -1.67 -0.08 0.00 -1.72 0.00 0.00 55.73 52.88 1tt6 s ARG 103 Cb -0.45 -0.82 -0.04 0.00 -0.45 0.00 0.00 34.95 33.19 1tt6 s ARG 103 CO 0.44 -0.01 0.09 1.03 -0.68 0.00 0.00 175.30 176.17 1tt6 s ARG 104 N -3.79 3.93 -0.14 3.54 3.00 -0.27 -4.81 118.95 120.42 1tt6 s ARG 104 Ca 0.26 -0.36 -0.00 0.00 0.00 0.00 0.00 55.73 55.63 1tt6 s ARG 104 Cb 0.04 -3.31 -0.01 0.00 0.00 0.00 0.00 34.95 31.67 1tt6 s ARG 104 CO 0.08 0.13 -0.13 0.71 0.00 0.00 0.00 175.30 176.10 1tt6 s TYR 105 N 0.78 2.82 -0.21 -0.53 1.51 0.58 -1.40 117.35 120.90 1tt6 s TYR 105 Ca 0.04 -0.68 -0.04 0.00 -1.01 0.00 0.00 57.07 55.39 1tt6 s TYR 105 Cb -0.13 -1.86 -0.01 0.00 -0.11 0.00 0.00 41.96 39.84 1tt6 s TYR 105 CO 0.02 -0.24 -0.05 0.99 -1.11 0.00 0.00 175.55 175.16 1tt6 s THR 106 N 0.44 3.41 -0.32 -0.71 2.01 0.07 -1.01 115.64 119.53 1tt6 s THR 106 Ca -0.10 -0.49 -0.08 0.00 0.31 0.00 0.00 61.69 61.33 1tt6 s THR 106 Cb -0.16 -2.54 0.01 0.00 0.01 0.00 0.00 72.50 69.83 1tt6 s THR 106 CO 0.05 0.44 0.13 -0.63 -0.69 0.00 0.00 174.62 173.91 1tt6 s ILE 107 N 1.28 4.24 -0.06 1.82 -1.09 0.34 -0.88 121.20 126.86 1tt6 s ILE 107 Ca 0.03 -0.69 0.01 0.00 -2.23 0.00 0.00 60.65 57.77 1tt6 s ILE 107 Cb -0.14 -3.24 -0.03 0.00 -1.58 0.00 0.00 42.46 37.47 1tt6 s ILE 107 CO -0.02 -0.01 -0.05 0.00 -1.23 0.00 0.00 174.94 173.63 1tt6 s ALA 108 N 1.53 3.06 -0.00 9.38 0.00 -0.45 -0.83 121.76 134.45 1tt6 s ALA 108 Ca 0.03 -0.90 -0.00 0.00 0.00 0.00 0.00 51.96 51.08 1tt6 s ALA 108 Cb -0.18 -1.27 0.00 0.00 0.00 0.00 0.00 23.12 21.68 1tt6 s ALA 108 CO 0.04 0.59 0.01 0.00 0.00 0.00 0.00 175.76 176.40 1tt6 s ALA 109 N -0.87 -0.02 -0.13 0.00 0.00 0.36 -1.41 121.76 119.69 1tt6 s ALA 109 Ca 0.14 0.02 0.02 0.00 0.00 0.00 0.00 51.96 52.14 1tt6 s ALA 109 Cb -0.11 -0.01 -0.00 0.00 0.00 0.00 0.00 23.12 22.99 1tt6 s ALA 109 CO 0.03 -0.01 -0.20 -1.17 0.00 0.00 0.00 175.76 174.42 1tt6 s LEU 110 N -0.01 2.30 -0.10 0.00 2.96 0.37 -1.06 118.68 123.13 1tt6 s LEU 110 Ca -0.00 -0.51 0.01 0.00 -0.22 0.00 0.00 54.13 53.41 1tt6 s LEU 110 Cb -0.00 -1.49 -0.02 0.00 0.50 0.00 0.00 46.19 45.18 1tt6 s LEU 110 CO 0.00 0.13 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.27 1tt6 s LEU 111 N 0.55 2.76 0.16 -0.68 1.43 -0.15 -1.75 118.68 121.00 1tt6 s LEU 111 Ca -0.12 -0.26 0.05 0.00 -1.03 0.00 0.00 54.13 52.77 1tt6 s LEU 111 Cb -0.16 -1.60 -0.05 0.00 0.03 0.00 0.00 46.19 44.41 1tt6 s LEU 111 CO 0.04 0.23 -0.11 -0.44 0.23 0.00 0.00 176.35 176.30 1tt6 s SER 112 N -0.06 2.00 0.37 2.29 0.01 0.23 -0.68 113.70 117.86 1tt6 s SER 112 Ca -0.02 -1.02 0.10 0.00 1.31 0.00 0.00 55.95 56.32 1tt6 s SER 112 Cb -0.14 -0.04 0.86 0.00 0.21 0.00 0.00 66.02 66.91 1tt6 s SER 112 CO 0.04 -0.29 1.88 -0.65 0.41 0.00 0.00 173.24 174.63 1tt6 h PRO 113 N 2.71 0.62 -0.24 12.44 0.11 -1.99 -2.60 132.00 143.05 1tt6 h PRO 113 Ca -0.37 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1tt6 h PRO 113 Cb 1.20 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1tt6 h PRO 113 CO 0.63 0.41 0.00 0.66 -0.21 0.00 0.00 178.00 179.49 1tt6 n TYR 114 N -4.54 0.54 -3.57 0.65 4.02 -1.26 -1.06 117.16 111.94 1tt6 n TYR 114 Ca 0.16 -0.70 -0.17 0.00 -0.01 0.00 0.00 57.90 57.19 1tt6 n TYR 114 Cb 0.47 -0.15 -0.07 0.00 -0.02 0.00 0.00 39.34 39.57 1tt6 n TYR 114 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1tt6 s SER 115 N -1.55 -0.59 0.04 7.72 1.04 -0.98 -4.95 113.70 114.42 1tt6 s SER 115 Ca 0.29 0.69 -0.05 0.00 0.48 0.00 0.00 55.95 57.36 1tt6 s SER 115 Cb 0.21 0.60 -0.01 0.00 0.10 0.00 0.00 66.02 66.91 1tt6 s SER 115 CO 0.10 -0.54 0.09 -0.72 0.98 0.00 0.00 173.24 173.15 1tt6 s TYR 116 N -1.04 0.22 -0.01 5.02 -0.85 -1.26 -0.61 117.35 118.83 1tt6 s TYR 116 Ca -0.10 -0.55 0.02 0.00 -0.52 0.00 0.00 57.07 55.92 1tt6 s TYR 116 Cb -0.01 -0.16 -0.00 0.00 0.38 0.00 0.00 41.96 42.17 1tt6 s TYR 116 CO 0.08 -0.37 -0.07 0.45 -1.52 0.00 0.00 175.55 174.12 1tt6 s SER 117 N -2.21 0.80 0.02 -0.18 0.15 -0.72 -4.98 113.70 106.57 1tt6 s SER 117 Ca -0.04 -0.12 0.01 0.00 0.70 0.00 0.00 55.95 56.50 1tt6 s SER 117 Cb -0.00 -0.11 -0.02 0.00 -1.71 0.00 0.00 66.02 64.18 1tt6 s SER 117 CO -0.05 0.07 -0.04 0.28 1.20 0.00 0.00 173.24 174.70 1tt6 s THR 118 N -0.08 0.28 0.08 6.45 -1.32 -1.26 -0.48 115.64 119.30 1tt6 s THR 118 Ca 0.02 -0.72 -0.02 0.00 -1.21 0.00 0.00 61.69 59.76 1tt6 s THR 118 Cb -0.03 -0.35 -0.03 0.00 -1.51 0.00 0.00 72.50 70.58 1tt6 s THR 118 CO -0.00 -0.29 0.03 0.28 -2.21 0.00 0.00 174.62 172.43 1tt6 s THR 119 N -1.00 0.18 -0.04 5.08 -1.32 -0.50 -5.00 115.64 113.05 1tt6 s THR 119 Ca -0.09 -1.74 0.07 0.00 -1.21 0.00 0.00 61.69 58.72 1tt6 s THR 119 Cb -0.07 -1.64 -0.02 0.00 -1.51 0.00 0.00 72.50 69.26 1tt6 s THR 119 CO -0.00 -0.80 -0.25 0.00 -2.21 0.00 0.00 174.62 171.36 1tt6 s ALA 120 N -3.95 2.14 -0.20 11.08 0.00 -1.26 -1.34 121.76 128.23 1tt6 s ALA 120 Ca 0.11 -1.08 -0.04 0.00 0.00 0.00 0.00 51.96 50.96 1tt6 s ALA 120 Cb 0.07 -0.60 -0.01 0.00 0.00 0.00 0.00 23.12 22.58 1tt6 s ALA 120 CO -0.07 0.47 -0.04 0.08 0.00 0.00 0.00 175.76 176.20 1tt6 s VAL 121 N -0.40 3.51 -0.18 0.00 1.01 -0.05 -4.98 120.40 119.31 1tt6 s VAL 121 Ca 0.04 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.57 1tt6 s VAL 121 Cb -0.12 -2.58 0.02 0.00 0.00 0.00 0.00 36.38 33.70 1tt6 s VAL 121 CO 0.01 0.44 -0.19 -0.69 0.00 0.00 0.00 175.10 174.67 1tt6 s VAL 122 N 1.16 2.13 0.22 2.92 1.01 -1.26 -0.75 120.40 125.83 1tt6 s VAL 122 Ca 0.02 -0.92 0.10 0.00 0.00 0.00 0.00 61.98 61.18 1tt6 s VAL 122 Cb -0.14 -1.89 -0.05 0.00 0.00 0.00 0.00 36.38 34.30 1tt6 s VAL 122 CO -0.00 0.54 -0.19 0.42 0.00 0.00 0.00 175.10 175.86 1tt6 s THR 123 N 1.23 2.15 -2.93 3.92 -4.23 -0.49 -4.97 115.64 110.33 1tt6 s THR 123 Ca 0.03 -2.18 0.23 0.00 -1.18 0.00 0.00 61.69 58.60 1tt6 s THR 123 Cb -0.13 -2.11 0.19 0.00 1.34 0.00 0.00 72.50 71.79 1tt6 s THR 123 CO -0.11 -0.36 1.24 -3.20 -0.54 0.00 0.00 174.62 171.65