#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b16 n PRO 11 N 0.00 0.15 -3.90 0.00 -0.04 -1.26 -4.74 135.00 125.22 2b16 n PRO 11 Ca 0.00 0.19 -0.20 0.00 -0.04 0.00 0.00 63.50 63.45 2b16 n PRO 11 Cb 0.00 -1.70 -0.17 0.00 -0.04 0.00 0.00 33.50 31.59 2b16 n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2b16 s LEU 12 N -3.94 0.91 0.05 1.53 2.96 -1.26 -0.28 118.68 118.65 2b16 s LEU 12 Ca 0.10 -0.05 0.04 0.00 -0.22 0.00 0.00 54.13 54.00 2b16 s LEU 12 Cb 0.14 -0.33 -0.02 0.00 0.50 0.00 0.00 46.19 46.47 2b16 s LEU 12 CO 0.52 -0.14 -0.12 -0.32 -1.32 0.00 0.00 176.35 174.97 2b16 s MET 13 N 1.42 0.77 -0.06 1.98 -2.45 -0.08 -4.39 119.30 116.48 2b16 s MET 13 Ca -0.04 -0.78 0.04 0.00 -1.25 0.00 0.00 55.69 53.66 2b16 s MET 13 Cb -0.13 -0.72 -0.00 0.00 1.25 0.00 0.00 34.83 35.23 2b16 s MET 13 CO -0.03 0.17 -0.20 0.08 1.05 0.00 0.00 175.02 176.09 2b16 s VAL 14 N -1.06 1.68 -0.04 10.11 1.01 -0.97 -0.68 120.40 130.45 2b16 s VAL 14 Ca -0.02 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.15 2b16 s VAL 14 Cb -0.09 -1.45 0.00 0.00 0.00 0.00 0.00 36.38 34.84 2b16 s VAL 14 CO 0.01 0.48 -0.15 -0.75 0.00 0.00 0.00 175.10 174.69 2b16 s LYS 15 N 0.13 1.63 -0.06 2.72 2.20 0.02 -0.23 119.74 126.15 2b16 s LYS 15 Ca -0.08 -0.52 0.02 0.00 -0.36 0.00 0.00 55.97 55.03 2b16 s LYS 15 Cb -0.14 -1.41 0.01 0.00 -1.51 0.00 0.00 37.83 34.78 2b16 s LYS 15 CO 0.04 0.18 -0.11 0.08 -0.36 0.00 0.00 175.35 175.18 2b16 s VAL 16 N 0.18 1.06 0.17 4.02 1.01 0.01 -1.09 120.40 125.76 2b16 s VAL 16 Ca -0.06 -0.44 0.11 0.00 0.00 0.00 0.00 61.98 61.59 2b16 s VAL 16 Cb -0.12 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 2b16 s VAL 16 CO 0.02 0.34 -0.23 -0.76 0.00 0.00 0.00 175.10 174.47 2b16 s LEU 17 N 0.68 2.48 -0.29 3.92 1.43 -0.13 -1.60 118.68 125.16 2b16 s LEU 17 Ca -0.14 -0.78 -0.06 0.00 -1.03 0.00 0.00 54.13 52.12 2b16 s LEU 17 Cb -0.16 -1.27 0.01 0.00 0.03 0.00 0.00 46.19 44.81 2b16 s LEU 17 CO 0.03 0.14 0.07 -0.62 0.23 0.00 0.00 176.35 176.20 2b16 s ASP 18 N -2.48 5.06 0.00 2.29 -1.08 0.52 -0.71 116.67 120.27 2b16 s ASP 18 Ca 0.19 -0.75 0.28 0.00 -0.52 0.00 0.00 52.55 51.76 2b16 s ASP 18 Cb -0.09 -1.86 1.12 0.00 -1.46 0.00 0.00 42.92 40.64 2b16 s ASP 18 CO 0.09 -0.19 1.83 0.00 0.52 0.00 0.00 175.17 177.42 2b16 n ALA 19 N 4.84 2.69 0.01 3.66 0.00 0.03 -1.41 120.51 130.33 2b16 n ALA 19 Ca -0.15 -0.19 -0.22 0.00 0.00 0.00 0.00 53.44 52.89 2b16 n ALA 19 Cb 0.48 -1.37 -0.14 0.00 0.00 0.00 0.00 19.45 18.41 2b16 n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2b16 h VAL 20 N 0.11 0.97 0.00 0.00 2.07 -1.94 -3.39 116.25 114.07 2b16 h VAL 20 Ca 0.00 -2.39 0.00 0.00 0.82 0.00 0.00 66.70 65.13 2b16 h VAL 20 Cb 0.44 2.67 0.00 0.00 -1.52 0.00 0.00 31.29 32.88 2b16 h VAL 20 CO 0.00 0.72 -0.91 0.54 0.02 0.00 0.00 177.57 177.95 2b16 n ARG 21 N -3.87 0.86 -2.66 1.57 1.74 -1.25 -5.02 116.66 108.04 2b16 n ARG 21 Ca -0.26 -0.01 -0.09 0.00 -0.77 0.00 0.00 57.85 56.72 2b16 n ARG 21 Cb 0.92 -1.38 0.05 0.00 -1.02 0.00 0.00 32.46 31.03 2b16 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2b16 n GLY 22 N 1.44 -0.15 3.55 -0.13 0.00 -0.50 -5.04 105.19 104.36 2b16 n GLY 22 Ca 0.03 0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 2b16 n GLY 22 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2b16 s SER 23 N -3.50 -0.25 0.48 1.61 0.01 -1.07 -5.01 113.70 105.98 2b16 s SER 23 Ca 0.13 -0.52 -0.23 0.00 1.31 0.00 0.00 55.95 56.64 2b16 s SER 23 Cb -0.02 0.59 -0.08 0.00 0.21 0.00 0.00 66.02 66.72 2b16 s SER 23 CO 0.42 -1.08 1.20 -2.65 0.41 0.00 0.00 173.24 171.54 2b16 n PRO 24 N -0.35 1.62 -3.09 12.44 -0.02 -1.26 -0.35 135.00 143.98 2b16 n PRO 24 Ca -0.09 0.58 -0.43 0.00 -2.02 0.00 0.00 63.50 61.54 2b16 n PRO 24 Cb 0.62 -2.34 -0.06 0.00 -0.02 0.00 0.00 33.50 31.70 2b16 n PRO 24 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2b16 s ALA 25 N -1.28 3.33 -0.05 3.55 0.00 -0.63 -4.64 121.76 122.04 2b16 s ALA 25 Ca 0.66 -1.42 -0.09 0.00 0.00 0.00 0.00 51.96 51.12 2b16 s ALA 25 Cb -0.48 -3.38 -0.05 0.00 0.00 0.00 0.00 23.12 19.21 2b16 s ALA 25 CO 0.54 -1.96 0.24 0.42 0.00 0.00 0.00 175.76 175.00 2b16 s ILE 26 N 2.91 5.33 -1.27 0.00 1.01 -1.26 -4.34 121.20 123.59 2b16 s ILE 26 Ca 0.21 0.34 0.00 0.00 0.00 0.00 0.00 60.65 61.20 2b16 s ILE 26 Cb -0.16 -3.52 0.00 0.00 0.01 0.00 0.00 42.46 38.79 2b16 s ILE 26 CO 0.16 0.54 0.00 -3.20 0.00 0.00 0.00 174.94 172.44 2b16 n ASN 27 N 1.69 -4.45 -4.71 3.58 5.15 -0.18 -4.93 115.26 111.41 2b16 n ASN 27 Ca -0.16 0.01 -0.40 0.00 -0.60 0.00 0.00 54.58 53.44 2b16 n ASN 27 Cb 0.54 -3.58 -0.05 0.00 -0.53 0.00 0.00 39.78 36.16 2b16 n ASN 27 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2b16 s VAL 28 N -2.71 5.05 0.21 3.44 1.01 -1.26 -4.72 120.40 121.41 2b16 s VAL 28 Ca 0.00 1.37 -0.30 0.00 0.00 0.00 0.00 61.98 63.05 2b16 s VAL 28 Cb 0.00 -4.01 -0.08 0.00 0.00 0.00 0.00 36.38 32.29 2b16 s VAL 28 CO 0.00 0.23 1.10 0.00 0.00 0.00 0.00 175.10 176.43 2b16 s ALA 29 N 1.01 3.38 -0.07 5.51 0.00 -1.26 -0.94 121.76 129.40 2b16 s ALA 29 Ca 0.35 0.83 0.01 0.00 0.00 0.00 0.00 51.96 53.16 2b16 s ALA 29 Cb -0.17 -3.34 0.02 0.00 0.00 0.00 0.00 23.12 19.62 2b16 s ALA 29 CO 0.16 -0.19 -0.09 0.08 0.00 0.00 0.00 175.76 175.72 2b16 s VAL 30 N -0.49 0.91 -0.07 0.00 1.01 -0.12 -0.88 120.40 120.76 2b16 s VAL 30 Ca 0.48 -0.32 0.05 0.00 0.00 0.00 0.00 61.98 62.19 2b16 s VAL 30 Cb -0.30 -0.87 -0.01 0.00 0.00 0.00 0.00 36.38 35.20 2b16 s VAL 30 CO 0.36 0.31 -0.24 -1.00 0.00 0.00 0.00 175.10 174.54 2b16 s HIS 31 N 0.94 2.50 -0.07 5.22 3.76 0.06 -1.56 115.29 126.13 2b16 s HIS 31 Ca -0.10 -0.76 0.03 0.00 -0.15 0.00 0.00 55.06 54.09 2b16 s HIS 31 Cb -0.15 -1.64 -0.02 0.00 1.11 0.00 0.00 32.58 31.89 2b16 s HIS 31 CO 0.01 -0.24 -0.16 0.08 -0.85 0.00 0.00 174.74 173.58 2b16 s VAL 32 N -0.06 2.87 0.15 -0.90 1.01 0.16 0.16 120.40 123.79 2b16 s VAL 32 Ca -0.06 -0.77 0.07 0.00 0.00 0.00 0.00 61.98 61.21 2b16 s VAL 32 Cb -0.15 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 2b16 s VAL 32 CO 0.05 0.57 -0.16 -0.36 0.00 0.00 0.00 175.10 175.20 2b16 s PHE 33 N -0.39 1.61 -0.04 5.22 0.40 0.29 -0.88 117.98 124.20 2b16 s PHE 33 Ca 0.04 -0.52 0.07 0.00 -0.60 0.00 0.00 56.93 55.92 2b16 s PHE 33 Cb -0.12 -0.82 -0.02 0.00 0.51 0.00 0.00 43.02 42.57 2b16 s PHE 33 CO 0.02 0.24 -0.24 0.50 0.70 0.00 0.00 175.22 176.44 2b16 s ARG 34 N -2.79 2.34 0.02 0.44 3.52 0.00 -1.27 118.95 121.21 2b16 s ARG 34 Ca 0.13 -0.89 -0.30 0.00 -0.13 0.00 0.00 55.73 54.54 2b16 s ARG 34 Cb -0.05 -2.14 -0.05 0.00 -1.56 0.00 0.00 34.95 31.15 2b16 s ARG 34 CO 0.05 0.50 1.26 0.21 -0.81 0.00 0.00 175.30 176.51 2b16 s LYS 35 N -0.45 4.37 0.61 5.12 2.20 -0.08 -1.16 119.74 130.34 2b16 s LYS 35 Ca 0.05 1.82 0.00 0.00 -0.36 0.00 0.00 55.97 57.48 2b16 s LYS 35 Cb -0.11 -3.44 0.06 0.00 -1.51 0.00 0.00 37.83 32.83 2b16 s LYS 35 CO 0.01 -0.39 0.85 0.00 -0.36 0.00 0.00 175.35 175.46 2b16 s ALA 36 N 1.66 3.79 0.36 3.13 0.00 0.93 -4.76 121.76 126.86 2b16 s ALA 36 Ca 0.60 -1.41 0.05 0.00 0.00 0.00 0.00 51.96 51.20 2b16 s ALA 36 Cb -0.29 -2.10 0.68 0.00 0.00 0.00 0.00 23.12 21.41 2b16 s ALA 36 CO 0.27 -0.99 1.92 0.00 0.00 0.00 0.00 175.76 176.96 2b16 h ALA 37 N -0.15 1.46 -0.02 0.00 0.00 -1.95 -0.47 119.26 118.13 2b16 h ALA 37 Ca -0.41 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2b16 h ALA 37 Cb 1.29 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2b16 h ALA 37 CO 0.50 0.39 0.00 -0.40 0.00 0.00 0.00 179.25 179.74 2b16 n ASP 38 N -4.33 0.34 0.00 0.00 5.68 -1.26 -4.84 116.55 112.14 2b16 n ASP 38 Ca 0.02 -2.01 0.00 0.00 -0.50 0.00 0.00 54.79 52.30 2b16 n ASP 38 Cb 0.20 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.06 2b16 n ASP 38 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 2b16 n ASP 39 N -0.34 0.00 -4.89 -1.12 5.68 -0.19 -5.02 116.55 110.67 2b16 n ASP 39 Ca 0.01 0.00 -0.28 0.00 -0.50 0.00 0.00 54.79 54.01 2b16 n ASP 39 Cb 0.07 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.05 2b16 n ASP 39 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 2b16 s THR 40 N -3.59 4.85 -0.27 2.12 -4.23 -1.26 -4.75 115.64 108.52 2b16 s THR 40 Ca 0.00 0.39 -0.17 0.00 -1.18 0.00 0.00 61.69 60.74 2b16 s THR 40 Cb 0.00 -3.84 -0.03 0.00 1.34 0.00 0.00 72.50 69.97 2b16 s THR 40 CO 0.00 -0.84 0.46 0.26 -0.54 0.00 0.00 174.62 173.96 2b16 s TRP 41 N -2.75 3.26 -0.13 3.99 0.52 -1.26 -0.05 118.94 122.51 2b16 s TRP 41 Ca 0.49 0.53 -0.05 0.00 0.02 0.00 0.00 56.10 57.10 2b16 s TRP 41 Cb -0.10 -2.67 -0.04 0.00 -1.15 0.00 0.00 33.47 29.52 2b16 s TRP 41 CO 0.44 -0.27 0.03 -1.21 0.02 0.00 0.00 176.95 175.96 2b16 s GLU 42 N 2.22 3.48 0.25 4.98 0.41 -0.31 -4.90 118.70 124.83 2b16 s GLU 42 Ca 0.19 -0.38 -0.30 0.00 -0.41 0.00 0.00 54.97 54.07 2b16 s GLU 42 Cb -0.16 -2.99 -0.14 0.00 -1.78 0.00 0.00 34.13 29.06 2b16 s GLU 42 CO 0.10 0.49 1.15 -2.30 -0.49 0.00 0.00 175.26 174.20 2b16 n PRO 43 N 2.83 1.48 0.00 0.39 -0.02 -1.26 -0.82 135.00 137.61 2b16 n PRO 43 Ca -0.18 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 2b16 n PRO 43 Cb 0.53 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 2b16 n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2b16 n PHE 44 N 0.89 0.00 -3.47 6.00 7.35 -0.05 -4.75 117.46 123.43 2b16 n PHE 44 Ca 0.11 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.70 2b16 n PHE 44 Cb 0.30 0.09 -0.02 0.00 0.35 0.00 0.00 39.48 40.20 2b16 n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2b16 s ALA 45 N -1.91 -1.71 0.17 3.13 0.00 -0.95 -5.00 121.76 115.49 2b16 s ALA 45 Ca 0.00 0.73 -0.24 0.00 0.00 0.00 0.00 51.96 52.45 2b16 s ALA 45 Cb 0.00 0.66 0.06 0.00 0.00 0.00 0.00 23.12 23.83 2b16 s ALA 45 CO 0.00 -0.74 0.88 -1.54 0.00 0.00 0.00 175.76 174.36 2b16 s SER 46 N -2.62 -0.23 0.00 0.00 1.04 -1.26 0.36 113.70 110.99 2b16 s SER 46 Ca 0.03 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.06 2b16 s SER 46 Cb -0.01 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.66 2b16 s SER 46 CO -0.11 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 173.73 2b16 n GLY 47 N -0.45 -0.99 3.16 7.32 0.00 -0.60 -4.97 105.19 108.66 2b16 n GLY 47 Ca -0.06 -0.81 -0.25 0.00 0.00 0.00 0.00 46.02 44.91 2b16 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b16 s LYS 48 N -0.37 1.39 0.56 1.61 -0.14 -1.26 -0.95 119.74 120.58 2b16 s LYS 48 Ca 0.00 -0.61 -0.21 0.00 -1.36 0.00 0.00 55.97 53.79 2b16 s LYS 48 Cb 0.00 -1.34 -0.04 0.00 -1.68 0.00 0.00 37.83 34.76 2b16 s LYS 48 CO 0.00 0.37 1.29 0.95 -0.76 0.00 0.00 175.35 177.20 2b16 s THR 49 N -0.41 2.30 0.71 2.17 -4.23 -0.12 -4.79 115.64 111.28 2b16 s THR 49 Ca 0.07 0.21 -0.12 0.00 -1.18 0.00 0.00 61.69 60.66 2b16 s THR 49 Cb -0.07 -3.10 0.17 0.00 1.34 0.00 0.00 72.50 70.84 2b16 s THR 49 CO -0.01 -0.02 0.89 -1.54 -0.54 0.00 0.00 174.62 173.41 2b16 n SER 50 N -1.24 -0.28 0.31 3.99 3.41 0.35 -1.01 113.62 119.15 2b16 n SER 50 Ca 0.12 -1.26 0.18 0.00 -0.26 0.00 0.00 58.87 57.65 2b16 n SER 50 Cb 0.47 -0.71 1.04 0.00 -0.26 0.00 0.00 64.21 64.75 2b16 n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2b16 h GLU 51 N 0.00 0.00 -0.02 4.33 3.07 -1.94 0.03 114.58 120.05 2b16 h GLU 51 Ca -0.30 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.56 2b16 h GLU 51 Cb 0.83 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.74 2b16 h GLU 51 CO 0.21 0.01 0.00 -1.13 -1.40 0.00 0.00 179.01 176.69 2b16 n SER 52 N -3.49 1.01 0.00 1.42 3.41 -1.26 -4.80 113.62 109.91 2b16 n SER 52 Ca -0.03 -1.35 0.00 0.00 -0.26 0.00 0.00 58.87 57.23 2b16 n SER 52 Cb 0.09 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 2b16 n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2b16 n GLY 53 N 1.11 0.55 3.69 5.00 0.00 -0.00 -4.77 105.19 110.77 2b16 n GLY 53 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 2b16 n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2b16 s GLU 54 N -0.05 2.55 -0.24 1.61 2.02 -1.26 -0.80 118.70 122.53 2b16 s GLU 54 Ca 0.00 -0.87 0.01 0.00 0.02 0.00 0.00 54.97 54.13 2b16 s GLU 54 Cb 0.00 -2.53 0.06 0.00 0.10 0.00 0.00 34.13 31.76 2b16 s GLU 54 CO 0.00 0.53 -0.05 -1.17 0.02 0.00 0.00 175.26 174.59 2b16 s LEU 55 N -2.42 2.55 0.33 1.80 2.96 0.67 -0.50 118.68 124.07 2b16 s LEU 55 Ca 0.26 -1.18 0.08 0.00 -0.22 0.00 0.00 54.13 53.07 2b16 s LEU 55 Cb -0.11 -1.16 -0.03 0.00 0.50 0.00 0.00 46.19 45.38 2b16 s LEU 55 CO 0.19 -0.24 0.27 -1.00 -1.32 0.00 0.00 176.35 174.24 2b16 s HIS 56 N 1.41 2.90 -0.94 5.38 3.76 -1.26 -2.28 115.29 124.25 2b16 s HIS 56 Ca -0.05 -0.29 0.00 0.00 -0.15 0.00 0.00 55.06 54.56 2b16 s HIS 56 Cb -0.19 -1.75 0.00 0.00 1.11 0.00 0.00 32.58 31.76 2b16 s HIS 56 CO -0.06 0.23 0.00 0.41 -0.85 0.00 0.00 174.74 174.46 2b16 n GLY 57 N -1.33 0.66 0.30 -2.22 0.00 -1.26 -4.93 105.19 96.40 2b16 n GLY 57 Ca -0.02 -0.55 -0.05 0.00 0.00 0.00 0.00 46.02 45.39 2b16 n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2b16 h LEU 58 N 0.00 0.85 -8.25 0.99 3.38 -1.85 -3.47 115.31 106.96 2b16 h LEU 58 Ca -0.21 -0.20 -0.13 0.00 0.09 0.00 0.00 57.88 57.43 2b16 h LEU 58 Cb 0.84 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 2b16 h LEU 58 CO 0.28 0.88 0.04 0.28 0.09 0.00 0.00 178.44 180.01 2b16 s THR 59 N -5.07 0.00 0.31 0.22 -1.32 -1.26 -4.77 115.64 103.75 2b16 s THR 59 Ca -0.10 -1.29 0.11 0.00 -1.21 0.00 0.00 61.69 59.19 2b16 s THR 59 Cb 0.15 -2.68 -0.06 0.00 -1.51 0.00 0.00 72.50 68.40 2b16 s THR 59 CO 0.82 0.00 -0.14 0.42 -2.21 0.00 0.00 174.62 173.51 2b16 s THR 60 N -2.84 2.32 0.27 5.08 -4.23 -1.26 -4.49 115.64 110.50 2b16 s THR 60 Ca 0.22 -2.29 -0.01 0.00 -1.18 0.00 0.00 61.69 58.44 2b16 s THR 60 Cb -0.03 -2.49 0.27 0.00 1.34 0.00 0.00 72.50 71.60 2b16 s THR 60 CO 0.15 -0.29 1.84 1.05 -0.54 0.00 0.00 174.62 176.83 2b16 h GLU 61 N 2.14 0.98 -0.39 3.99 9.09 -1.97 -1.60 114.58 126.82 2b16 h GLU 61 Ca -0.41 -0.06 -0.05 0.00 0.05 0.00 0.00 59.36 58.89 2b16 h GLU 61 Cb 1.25 -0.22 -0.02 0.00 -1.65 0.00 0.00 28.75 28.11 2b16 h GLU 61 CO 0.66 0.65 0.02 1.05 0.05 0.00 0.00 179.01 181.44 2b16 h GLU 62 N 1.01 0.61 0.00 1.06 -0.00 -2.04 -2.99 114.58 112.22 2b16 h GLU 62 Ca 0.47 -0.13 -0.11 0.00 -0.00 0.00 0.00 59.36 59.58 2b16 h GLU 62 Cb 0.39 -0.09 -0.02 0.00 -0.00 0.00 0.00 28.75 29.04 2b16 h GLU 62 CO -0.24 0.62 -0.95 0.93 -0.00 0.00 0.00 179.01 179.37 2b16 h GLU 63 N 0.59 0.00 -3.28 1.06 5.08 -1.81 -3.41 114.58 112.81 2b16 h GLU 63 Ca 0.13 0.00 -0.77 0.00 -1.00 0.00 0.00 59.36 57.71 2b16 h GLU 63 Cb 0.34 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 29.40 2b16 h GLU 63 CO 0.01 0.31 1.72 0.34 -1.00 0.00 0.00 179.01 180.38 2b16 n PHE 64 N -2.99 2.72 -2.04 4.33 7.35 -0.66 -4.96 117.46 121.20 2b16 n PHE 64 Ca -0.03 -2.72 -0.29 0.00 -0.76 0.00 0.00 57.45 53.65 2b16 n PHE 64 Cb 0.74 -1.75 0.05 0.00 0.35 0.00 0.00 39.48 38.88 2b16 n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 2b16 s VAL 65 N -0.59 3.16 0.47 -2.13 -7.23 -1.26 -4.96 120.40 107.86 2b16 s VAL 65 Ca 0.38 0.21 -0.23 0.00 -1.81 0.00 0.00 61.98 60.53 2b16 s VAL 65 Cb 0.09 -3.34 -0.08 0.00 0.56 0.00 0.00 36.38 33.60 2b16 s VAL 65 CO 0.02 -0.42 1.13 -0.62 -0.31 0.00 0.00 175.10 174.90 2b16 n GLU 66 N -2.95 1.49 -3.83 4.82 1.02 -1.26 -4.87 120.64 115.06 2b16 n GLU 66 Ca 0.07 0.54 0.00 0.00 -0.02 0.00 0.00 57.16 57.75 2b16 n GLU 66 Cb 0.58 -2.25 0.00 0.00 -0.02 0.00 0.00 31.44 29.75 2b16 n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2b16 n GLY 67 N 1.03 -2.07 3.69 0.62 0.00 -1.13 -4.97 105.19 102.36 2b16 n GLY 67 Ca 0.09 -1.22 -0.35 0.00 0.00 0.00 0.00 46.02 44.54 2b16 n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2b16 s ILE 68 N -2.45 5.09 0.11 -0.61 1.01 -1.26 -0.65 121.20 122.44 2b16 s ILE 68 Ca 0.00 0.07 0.09 0.00 0.00 0.00 0.00 60.65 60.81 2b16 s ILE 68 Cb 0.00 -3.30 -0.04 0.00 0.01 0.00 0.00 42.46 39.13 2b16 s ILE 68 CO 0.00 0.46 -0.23 -0.31 0.00 0.00 0.00 174.94 174.86 2b16 s TYR 69 N 0.25 1.99 -0.10 3.97 1.51 0.33 -0.91 117.35 124.40 2b16 s TYR 69 Ca 0.06 -0.40 0.03 0.00 -1.01 0.00 0.00 57.07 55.75 2b16 s TYR 69 Cb -0.12 -1.08 0.01 0.00 -0.11 0.00 0.00 41.96 40.66 2b16 s TYR 69 CO -0.01 0.26 -0.19 0.21 -1.11 0.00 0.00 175.55 174.71 2b16 s LYS 70 N -1.99 2.55 -0.23 -0.62 2.20 -0.40 -1.18 119.74 120.07 2b16 s LYS 70 Ca 0.10 -0.70 -0.05 0.00 -0.36 0.00 0.00 55.97 54.96 2b16 s LYS 70 Cb -0.10 -2.01 -0.01 0.00 -1.51 0.00 0.00 37.83 34.21 2b16 s LYS 70 CO 0.05 0.08 -0.01 0.08 -0.36 0.00 0.00 175.35 175.19 2b16 s VAL 71 N 0.58 3.55 -0.19 4.02 1.01 0.11 -0.55 120.40 128.92 2b16 s VAL 71 Ca -0.15 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 61.31 2b16 s VAL 71 Cb -0.17 -2.66 -0.01 0.00 0.00 0.00 0.00 36.38 33.55 2b16 s VAL 71 CO 0.05 0.36 -0.07 -0.70 0.00 0.00 0.00 175.10 174.74 2b16 s GLU 72 N 1.49 3.40 -0.21 2.72 2.12 0.12 -0.86 118.70 127.49 2b16 s GLU 72 Ca 0.05 -0.64 -0.06 0.00 0.36 0.00 0.00 54.97 54.69 2b16 s GLU 72 Cb -0.15 -2.89 -0.03 0.00 0.26 0.00 0.00 34.13 31.32 2b16 s GLU 72 CO -0.02 -0.05 0.02 0.42 -0.54 0.00 0.00 175.26 175.10 2b16 s ILE 73 N 1.08 4.16 -1.33 -3.70 1.01 0.54 -0.76 121.20 122.19 2b16 s ILE 73 Ca 0.01 -0.24 -0.15 0.00 0.00 0.00 0.00 60.65 60.27 2b16 s ILE 73 Cb -0.15 -2.89 0.09 0.00 0.01 0.00 0.00 42.46 39.52 2b16 s ILE 73 CO -0.01 0.42 1.86 -0.67 0.00 0.00 0.00 174.94 176.54 2b16 n ASP 74 N 4.23 4.67 0.12 3.58 2.03 -0.06 -1.39 116.55 129.73 2b16 n ASP 74 Ca -0.17 -2.93 -0.01 0.00 0.52 0.00 0.00 54.79 52.20 2b16 n ASP 74 Cb 0.52 -1.66 0.23 0.00 -0.72 0.00 0.00 41.12 39.49 2b16 n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 2b16 h THR 75 N 4.72 1.33 -0.22 5.18 1.35 -1.87 -3.03 112.91 120.36 2b16 h THR 75 Ca 0.46 -1.61 -0.02 0.00 -0.55 0.00 0.00 66.41 64.69 2b16 h THR 75 Cb 0.77 1.79 -0.01 0.00 -1.73 0.00 0.00 68.15 68.97 2b16 h THR 75 CO 1.58 0.47 0.07 0.50 -0.25 0.00 0.00 175.52 177.89 2b16 h LYS 76 N 0.13 0.34 -0.76 4.72 3.64 -1.72 -1.42 116.57 121.50 2b16 h LYS 76 Ca 0.01 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 2b16 h LYS 76 Cb 0.86 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.59 2b16 h LYS 76 CO 0.07 0.43 0.39 0.77 -2.27 0.00 0.00 179.45 178.84 2b16 h SER 77 N 0.19 0.97 -0.04 4.20 0.02 -1.84 -0.83 113.55 116.22 2b16 h SER 77 Ca 0.07 -0.10 0.02 0.00 -0.84 0.00 0.00 61.79 60.95 2b16 h SER 77 Cb 0.23 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.50 2b16 h SER 77 CO -0.00 0.80 -0.11 0.15 -1.14 0.00 0.00 176.83 176.53 2b16 h PHE 78 N 1.07 -0.28 -0.31 3.45 3.57 -1.34 -1.42 116.94 121.69 2b16 h PHE 78 Ca 0.27 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.70 2b16 h PHE 78 Cb 0.07 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 2b16 h PHE 78 CO 0.01 -0.17 -0.14 -1.49 -2.23 0.00 0.00 178.31 174.29 2b16 h TRP 79 N -0.17 0.57 -0.88 0.41 4.06 -1.01 -2.60 115.95 116.33 2b16 h TRP 79 Ca 0.06 -0.09 -0.01 0.00 2.06 0.00 0.00 58.89 60.90 2b16 h TRP 79 Cb 0.24 -0.15 -0.04 0.00 -1.00 0.00 0.00 29.16 28.21 2b16 h TRP 79 CO -0.19 0.65 0.53 0.87 -3.56 0.00 0.00 178.44 176.73 2b16 h LYS 80 N 0.49 1.20 0.00 0.49 1.57 -0.85 -0.99 116.57 118.48 2b16 h LYS 80 Ca 0.09 -0.11 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 2b16 h LYS 80 Cb 0.53 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 2b16 h LYS 80 CO 0.03 0.85 -0.29 0.00 -0.57 0.00 0.00 179.45 179.47 2b16 h ALA 81 N 1.29 1.45 -0.01 3.86 0.00 -0.87 -2.03 119.26 122.94 2b16 h ALA 81 Ca 0.32 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2b16 h ALA 81 Cb -0.04 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2b16 h ALA 81 CO -0.06 0.36 -0.06 1.28 0.00 0.00 0.00 179.25 180.77 2b16 n LEU 82 N -4.09 1.27 -0.45 0.00 4.77 -0.90 -4.94 117.00 112.66 2b16 n LEU 82 Ca -0.02 -0.40 -0.06 0.00 -0.03 0.00 0.00 56.01 55.51 2b16 n LEU 82 Cb 0.34 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.37 2b16 n LEU 82 CO 0.37 0.22 -0.06 0.61 -1.33 0.00 0.00 177.39 177.20 2b16 n GLY 83 N 1.21 0.83 3.50 -0.72 0.00 -0.76 -5.03 105.19 104.21 2b16 n GLY 83 Ca 0.17 -0.77 -0.34 0.00 0.00 0.00 0.00 46.02 45.09 2b16 n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2b16 s ILE 84 N -2.21 3.87 -0.31 -0.61 1.01 -0.43 -5.02 121.20 117.50 2b16 s ILE 84 Ca 0.00 -0.37 -0.29 0.00 0.00 0.00 0.00 60.65 59.99 2b16 s ILE 84 Cb 0.00 -2.69 -0.01 0.00 0.01 0.00 0.00 42.46 39.77 2b16 s ILE 84 CO 0.00 0.50 1.48 -0.55 0.00 0.00 0.00 174.94 176.36 2b16 s SER 85 N 0.34 6.42 0.28 3.58 0.15 -1.26 -4.12 113.70 119.08 2b16 s SER 85 Ca -0.04 1.24 -0.00 0.00 0.70 0.00 0.00 55.95 57.85 2b16 s SER 85 Cb -0.14 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.59 2b16 s SER 85 CO 0.03 -1.29 0.48 -2.16 1.20 0.00 0.00 173.24 171.50 2b16 s PRO 86 N 4.67 3.51 -0.21 5.44 0.04 -1.26 -4.81 135.00 142.38 2b16 s PRO 86 Ca 0.65 -0.34 -0.21 0.00 0.04 0.00 0.00 61.00 61.14 2b16 s PRO 86 Cb -0.19 -2.74 -0.18 0.00 0.04 0.00 0.00 34.50 31.43 2b16 s PRO 86 CO 0.28 0.27 0.16 0.34 0.04 0.00 0.00 177.00 178.10 2b16 n PHE 87 N -1.26 0.96 -2.87 0.56 7.35 -0.32 -4.99 117.46 116.89 2b16 n PHE 87 Ca -0.05 0.42 -0.32 0.00 -0.76 0.00 0.00 57.45 56.74 2b16 n PHE 87 Cb 0.55 -1.08 -0.05 0.00 0.35 0.00 0.00 39.48 39.25 2b16 n PHE 87 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 2b16 s HIS 88 N -2.36 3.39 0.10 -5.13 3.76 -1.26 -4.98 115.29 108.81 2b16 s HIS 88 Ca -0.29 1.33 -0.14 0.00 -0.15 0.00 0.00 55.06 55.82 2b16 s HIS 88 Cb 0.06 -2.65 -0.12 0.00 1.11 0.00 0.00 32.58 30.99 2b16 s HIS 88 CO 0.57 -0.08 1.36 0.93 -0.85 0.00 0.00 174.74 176.66 2b16 h GLU 89 N 1.73 0.77 -2.67 1.40 4.39 -1.98 -3.37 114.58 114.85 2b16 h GLU 89 Ca -0.48 -0.52 0.11 0.00 0.34 0.00 0.00 59.36 58.81 2b16 h GLU 89 Cb 1.18 0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 29.86 2b16 h GLU 89 CO 0.63 1.14 0.40 -3.38 -1.16 0.00 0.00 179.01 176.64 2b16 s HIS 90 N -4.04 -0.05 -0.10 4.33 -3.43 -1.26 -3.22 115.29 107.52 2b16 s HIS 90 Ca -0.11 -0.39 -0.02 0.00 -0.80 0.00 0.00 55.06 53.74 2b16 s HIS 90 Cb 0.09 0.71 -0.03 0.00 -1.43 0.00 0.00 32.58 31.92 2b16 s HIS 90 CO 0.87 -1.10 -0.02 0.00 -2.00 0.00 0.00 174.74 172.49 2b16 s ALA 91 N -3.02 3.17 -0.03 -1.38 0.00 -0.49 -4.90 121.76 115.12 2b16 s ALA 91 Ca 0.14 -0.82 0.04 0.00 0.00 0.00 0.00 51.96 51.33 2b16 s ALA 91 Cb -0.03 -1.47 -0.01 0.00 0.00 0.00 0.00 23.12 21.61 2b16 s ALA 91 CO 0.06 0.49 -0.16 -1.21 0.00 0.00 0.00 175.76 174.93 2b16 s GLU 92 N -0.56 1.59 -0.12 0.00 2.02 -1.26 -0.34 118.70 120.04 2b16 s GLU 92 Ca 0.09 -0.58 -0.00 0.00 0.02 0.00 0.00 54.97 54.49 2b16 s GLU 92 Cb -0.12 -1.43 0.03 0.00 0.10 0.00 0.00 34.13 32.70 2b16 s GLU 92 CO 0.02 0.27 -0.08 0.08 0.02 0.00 0.00 175.26 175.57 2b16 s VAL 93 N -0.08 1.05 -0.12 2.63 1.01 -0.04 -4.96 120.40 119.88 2b16 s VAL 93 Ca -0.01 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 61.68 2b16 s VAL 93 Cb -0.10 -1.08 0.01 0.00 0.00 0.00 0.00 36.38 35.21 2b16 s VAL 93 CO 0.01 0.36 -0.23 -0.69 0.00 0.00 0.00 175.10 174.55 2b16 s VAL 94 N 1.70 2.04 0.10 2.92 1.01 -1.26 0.04 120.40 126.94 2b16 s VAL 94 Ca 0.05 -0.98 -0.17 0.00 0.00 0.00 0.00 61.98 60.87 2b16 s VAL 94 Cb -0.13 -1.79 0.04 0.00 0.00 0.00 0.00 36.38 34.50 2b16 s VAL 94 CO -0.08 0.55 0.41 0.72 0.00 0.00 0.00 175.10 176.70 2b16 s PHE 95 N 0.64 -0.24 -0.21 5.22 -0.71 -0.33 -4.99 117.98 117.35 2b16 s PHE 95 Ca -0.12 0.01 -0.11 0.00 -1.04 0.00 0.00 56.93 55.68 2b16 s PHE 95 Cb -0.16 0.26 -0.05 0.00 -1.21 0.00 0.00 43.02 41.86 2b16 s PHE 95 CO 0.02 -0.67 0.16 0.99 -1.34 0.00 0.00 175.22 174.38 2b16 s THR 96 N -3.39 5.38 -0.09 -4.49 2.01 -1.26 -0.51 115.64 113.28 2b16 s THR 96 Ca 0.00 0.22 -0.23 0.00 0.31 0.00 0.00 61.69 61.99 2b16 s THR 96 Cb 0.01 -3.50 -0.03 0.00 0.01 0.00 0.00 72.50 68.99 2b16 s THR 96 CO -0.09 0.39 0.70 0.00 -0.69 0.00 0.00 174.62 174.94 2b16 s ALA 97 N 0.67 3.38 -0.07 7.40 0.00 0.18 -4.96 121.76 128.36 2b16 s ALA 97 Ca 0.09 0.08 0.03 0.00 0.00 0.00 0.00 51.96 52.16 2b16 s ALA 97 Cb -0.12 -2.98 0.01 0.00 0.00 0.00 0.00 23.12 20.02 2b16 s ALA 97 CO 0.01 -0.20 -0.16 -0.80 0.00 0.00 0.00 175.76 174.61 2b16 s ASN 98 N 0.87 2.14 -0.06 0.00 -0.87 -1.26 -2.84 114.94 112.92 2b16 s ASN 98 Ca 0.37 -0.37 -0.30 0.00 -1.57 0.00 0.00 52.86 50.99 2b16 s ASN 98 Cb -0.17 -0.90 -0.02 0.00 -0.02 0.00 0.00 41.25 40.13 2b16 s ASN 98 CO 0.17 0.09 1.09 -1.81 -2.57 0.00 0.00 177.10 174.07 2b16 s ASP 99 N 0.46 7.17 -0.48 -1.22 1.01 -1.26 -4.93 116.67 117.42 2b16 s ASP 99 Ca -0.13 1.69 0.06 0.00 0.71 0.00 0.00 52.55 54.87 2b16 s ASP 99 Cb -0.15 -2.56 0.26 0.00 1.01 0.00 0.00 42.92 41.47 2b16 s ASP 99 CO 0.05 -0.49 0.95 -1.54 0.21 0.00 0.00 175.17 174.35 2b16 n SER 100 N 4.91 -2.73 -0.68 0.27 3.41 -1.26 -5.10 113.62 112.44 2b16 n SER 100 Ca 0.09 -3.29 0.08 0.00 -0.26 0.00 0.00 58.87 55.49 2b16 n SER 100 Cb 0.48 1.80 -0.02 0.00 -0.26 0.00 0.00 64.21 66.21 2b16 n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2b16 n GLY 101 N 1.42 -2.01 3.65 5.00 0.00 -1.26 0.00 105.19 111.98 2b16 n GLY 101 Ca 0.08 -1.33 -0.43 0.00 0.00 0.00 0.00 46.02 44.34 2b16 n GLY 101 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2b16 s PRO 102 N -1.38 4.06 0.01 1.61 0.02 -1.26 -5.02 135.00 133.04 2b16 s PRO 102 Ca 0.00 1.78 0.05 0.00 0.02 0.00 0.00 61.00 62.85 2b16 s PRO 102 Cb 0.00 -3.92 -0.02 0.00 0.02 0.00 0.00 34.50 30.58 2b16 s PRO 102 CO 0.00 -0.96 -0.15 1.03 -0.33 0.00 0.00 177.00 176.59 2b16 s ARG 103 N 4.07 1.12 -0.07 5.54 1.81 -1.26 -3.81 118.95 126.35 2b16 s ARG 103 Ca 0.65 -0.64 0.03 0.00 -1.72 0.00 0.00 55.73 54.05 2b16 s ARG 103 Cb -0.26 -1.11 -0.02 0.00 -0.45 0.00 0.00 34.95 33.11 2b16 s ARG 103 CO 0.24 0.29 -0.16 -0.98 -0.68 0.00 0.00 175.30 174.02 2b16 s ARG 104 N -0.69 2.73 -0.18 3.54 1.04 0.20 -4.83 118.95 120.76 2b16 s ARG 104 Ca 0.04 -0.73 -0.04 0.00 -1.04 0.00 0.00 55.73 53.96 2b16 s ARG 104 Cb -0.07 -2.40 -0.02 0.00 -2.04 0.00 0.00 34.95 30.42 2b16 s ARG 104 CO 0.00 0.48 -0.03 0.71 -0.04 0.00 0.00 175.30 176.41 2b16 s TYR 105 N -0.35 2.99 -0.20 5.89 1.51 0.62 -1.46 117.35 126.35 2b16 s TYR 105 Ca 0.03 -0.51 -0.02 0.00 -1.01 0.00 0.00 57.07 55.56 2b16 s TYR 105 Cb -0.12 -2.02 0.00 0.00 -0.11 0.00 0.00 41.96 39.71 2b16 s TYR 105 CO 0.02 -0.23 -0.11 0.99 -1.11 0.00 0.00 175.55 175.12 2b16 s THR 106 N 0.81 2.88 -0.30 -0.71 2.01 0.16 -0.91 115.64 119.57 2b16 s THR 106 Ca -0.01 -0.67 -0.11 0.00 0.31 0.00 0.00 61.69 61.21 2b16 s THR 106 Cb -0.14 -2.27 -0.03 0.00 0.01 0.00 0.00 72.50 70.07 2b16 s THR 106 CO 0.02 0.47 0.19 -0.63 -0.69 0.00 0.00 174.62 173.98 2b16 s ILE 107 N 1.30 5.08 0.07 1.82 -1.09 0.14 -1.01 121.20 127.51 2b16 s ILE 107 Ca 0.04 -0.11 0.06 0.00 -2.23 0.00 0.00 60.65 58.41 2b16 s ILE 107 Cb -0.14 -3.51 -0.04 0.00 -1.58 0.00 0.00 42.46 37.19 2b16 s ILE 107 CO -0.06 0.13 -0.11 0.00 -1.23 0.00 0.00 174.94 173.67 2b16 s ALA 108 N 1.71 2.88 -0.02 9.38 0.00 -0.52 -0.80 121.76 134.39 2b16 s ALA 108 Ca 0.06 -1.18 0.01 0.00 0.00 0.00 0.00 51.96 50.85 2b16 s ALA 108 Cb -0.17 -0.91 0.01 0.00 0.00 0.00 0.00 23.12 22.06 2b16 s ALA 108 CO 0.09 0.62 -0.03 0.00 0.00 0.00 0.00 175.76 176.44 2b16 s ALA 109 N -1.10 0.42 -0.21 0.00 0.00 -0.25 -1.65 121.76 118.97 2b16 s ALA 109 Ca 0.19 -0.07 -0.03 0.00 0.00 0.00 0.00 51.96 52.05 2b16 s ALA 109 Cb -0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 23.12 22.78 2b16 s ALA 109 CO 0.10 0.03 -0.06 -1.17 0.00 0.00 0.00 175.76 174.66 2b16 s LEU 110 N 0.40 2.81 -0.15 0.00 2.96 0.35 -0.95 118.68 124.09 2b16 s LEU 110 Ca -0.04 -0.41 -0.05 0.00 -0.22 0.00 0.00 54.13 53.40 2b16 s LEU 110 Cb -0.08 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.87 2b16 s LEU 110 CO -0.00 -0.01 0.04 -0.76 -1.32 0.00 0.00 176.35 174.30 2b16 s LEU 111 N 1.38 3.72 0.21 -0.68 1.43 0.11 -1.42 118.68 123.43 2b16 s LEU 111 Ca 0.05 0.10 0.07 0.00 -1.03 0.00 0.00 54.13 53.32 2b16 s LEU 111 Cb -0.14 -1.91 -0.05 0.00 0.03 0.00 0.00 46.19 44.12 2b16 s LEU 111 CO -0.04 0.25 -0.12 -0.44 0.23 0.00 0.00 176.35 176.23 2b16 s SER 112 N -0.10 2.49 0.33 2.29 0.01 0.35 -0.79 113.70 118.27 2b16 s SER 112 Ca 0.06 -1.06 0.04 0.00 1.31 0.00 0.00 55.95 56.30 2b16 s SER 112 Cb -0.12 -0.12 0.64 0.00 0.21 0.00 0.00 66.02 66.62 2b16 s SER 112 CO 0.01 -0.23 1.91 -0.65 0.41 0.00 0.00 173.24 174.70 2b16 h PRO 113 N 2.53 0.87 -0.26 12.44 0.11 -1.98 -2.89 132.00 142.82 2b16 h PRO 113 Ca -0.38 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2b16 h PRO 113 Cb 1.22 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2b16 h PRO 113 CO 0.63 0.57 0.00 0.66 -0.21 0.00 0.00 178.00 179.66 2b16 n TYR 114 N -4.51 0.46 -3.54 0.65 4.02 -1.26 -1.18 117.16 111.80 2b16 n TYR 114 Ca 0.14 -0.59 -0.15 0.00 -0.01 0.00 0.00 57.90 57.29 2b16 n TYR 114 Cb 0.27 -0.09 -0.05 0.00 -0.02 0.00 0.00 39.34 39.44 2b16 n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2b16 s SER 115 N -1.25 -0.53 0.05 7.72 0.15 -1.09 -4.97 113.70 113.77 2b16 s SER 115 Ca 0.23 0.37 -0.10 0.00 0.70 0.00 0.00 55.95 57.15 2b16 s SER 115 Cb 0.15 0.51 0.01 0.00 -1.71 0.00 0.00 66.02 64.98 2b16 s SER 115 CO 0.11 -0.69 0.22 -0.72 1.20 0.00 0.00 173.24 173.37 2b16 s TYR 116 N -2.03 0.02 0.07 3.44 -0.85 -1.26 -0.50 117.35 116.24 2b16 s TYR 116 Ca -0.07 -0.25 0.09 0.00 -0.52 0.00 0.00 57.07 56.32 2b16 s TYR 116 Cb -0.01 0.00 -0.03 0.00 0.38 0.00 0.00 41.96 42.30 2b16 s TYR 116 CO 0.02 -0.46 -0.23 0.45 -1.52 0.00 0.00 175.55 173.81 2b16 s SER 117 N -2.17 3.46 0.02 -0.18 0.15 -0.51 -4.97 113.70 109.50 2b16 s SER 117 Ca -0.04 -0.57 0.01 0.00 0.70 0.00 0.00 55.95 56.05 2b16 s SER 117 Cb -0.00 -0.40 -0.01 0.00 -1.71 0.00 0.00 66.02 63.90 2b16 s SER 117 CO -0.05 0.24 -0.05 0.28 1.20 0.00 0.00 173.24 174.86 2b16 s THR 118 N -0.92 0.33 0.05 6.45 -1.32 -1.26 -0.50 115.64 118.47 2b16 s THR 118 Ca 0.14 -0.63 -0.02 0.00 -1.21 0.00 0.00 61.69 59.97 2b16 s THR 118 Cb -0.10 -0.36 -0.03 0.00 -1.51 0.00 0.00 72.50 70.49 2b16 s THR 118 CO 0.05 -0.20 0.01 0.28 -2.21 0.00 0.00 174.62 172.54 2b16 s THR 119 N -0.82 0.20 -0.09 5.08 -1.32 -0.66 -5.00 115.64 113.03 2b16 s THR 119 Ca -0.06 -1.67 0.02 0.00 -1.21 0.00 0.00 61.69 58.77 2b16 s THR 119 Cb -0.06 -1.44 -0.02 0.00 -1.51 0.00 0.00 72.50 69.47 2b16 s THR 119 CO -0.00 -0.92 -0.14 0.00 -2.21 0.00 0.00 174.62 171.34 2b16 s ALA 120 N -3.81 2.60 -0.25 11.08 0.00 -1.26 -1.45 121.76 128.68 2b16 s ALA 120 Ca 0.06 -0.93 -0.00 0.00 0.00 0.00 0.00 51.96 51.08 2b16 s ALA 120 Cb 0.07 -1.08 0.03 0.00 0.00 0.00 0.00 23.12 22.14 2b16 s ALA 120 CO -0.10 0.38 -0.09 0.08 0.00 0.00 0.00 175.76 176.03 2b16 s VAL 121 N -0.09 2.62 -0.21 0.00 1.01 -0.18 -4.97 120.40 118.58 2b16 s VAL 121 Ca -0.02 -1.17 0.00 0.00 0.00 0.00 0.00 61.98 60.79 2b16 s VAL 121 Cb -0.14 -2.36 0.02 0.00 0.00 0.00 0.00 36.38 33.91 2b16 s VAL 121 CO 0.04 0.17 -0.14 -0.69 0.00 0.00 0.00 175.10 174.49 2b16 s VAL 122 N 1.27 2.42 0.08 2.92 1.01 -1.26 -0.67 120.40 126.17 2b16 s VAL 122 Ca -0.01 -1.02 0.03 0.00 0.00 0.00 0.00 61.98 60.98 2b16 s VAL 122 Cb -0.17 -2.14 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 2b16 s VAL 122 CO -0.06 0.36 -0.09 0.42 0.00 0.00 0.00 175.10 175.73 2b16 s THR 123 N 1.29 0.83 -2.41 3.92 -4.23 -0.53 -4.92 115.64 109.58 2b16 s THR 123 Ca 0.02 -1.54 0.29 0.00 -1.18 0.00 0.00 61.69 59.27 2b16 s THR 123 Cb -0.15 -1.23 0.62 0.00 1.34 0.00 0.00 72.50 73.08 2b16 s THR 123 CO -0.09 -0.55 1.84 0.59 -0.54 0.00 0.00 174.62 175.87