#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a4f n PRO 11 N 0.00 0.09 -3.72 0.00 -0.04 -1.26 -4.75 135.00 125.31 3a4f n PRO 11 Ca 0.00 0.06 -0.17 0.00 -0.04 0.00 0.00 63.50 63.35 3a4f n PRO 11 Cb 0.00 -1.59 -0.17 0.00 -0.04 0.00 0.00 33.50 31.70 3a4f n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3a4f s LEU 12 N -3.47 0.58 0.04 1.53 2.96 -1.26 -1.15 118.68 117.91 3a4f s LEU 12 Ca 0.12 0.10 0.03 0.00 -0.22 0.00 0.00 54.13 54.16 3a4f s LEU 12 Cb 0.17 -0.04 -0.02 0.00 0.50 0.00 0.00 46.19 46.80 3a4f s LEU 12 CO 0.59 -0.19 -0.10 -0.32 -1.32 0.00 0.00 176.35 175.01 3a4f s MET 13 N 1.62 0.65 -0.01 1.98 1.75 -0.16 -4.34 119.30 120.79 3a4f s MET 13 Ca -0.02 -0.73 0.06 0.00 -1.25 0.00 0.00 55.69 53.75 3a4f s MET 13 Cb -0.12 -0.54 -0.01 0.00 2.84 0.00 0.00 34.83 36.99 3a4f s MET 13 CO -0.03 0.12 -0.19 0.08 -0.65 0.00 0.00 175.02 174.34 3a4f s VAL 14 N -1.10 1.52 -0.03 10.11 1.01 -1.03 -1.00 120.40 129.87 3a4f s VAL 14 Ca -0.05 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.12 3a4f s VAL 14 Cb -0.09 -1.27 0.02 0.00 0.00 0.00 0.00 36.38 35.05 3a4f s VAL 14 CO 0.01 0.43 -0.04 -0.75 0.00 0.00 0.00 175.10 174.75 3a4f s LYS 15 N -0.46 0.64 -0.06 2.72 2.20 0.21 -1.07 119.74 123.93 3a4f s LYS 15 Ca 0.07 -0.08 0.03 0.00 -0.36 0.00 0.00 55.97 55.63 3a4f s LYS 15 Cb -0.07 -0.68 0.01 0.00 -1.51 0.00 0.00 37.83 35.57 3a4f s LYS 15 CO -0.01 -0.06 -0.12 0.08 -0.36 0.00 0.00 175.35 174.88 3a4f s VAL 16 N 0.75 1.13 0.13 4.02 1.01 0.40 -0.74 120.40 127.10 3a4f s VAL 16 Ca -0.09 -0.50 0.08 0.00 0.00 0.00 0.00 61.98 61.48 3a4f s VAL 16 Cb -0.12 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 3a4f s VAL 16 CO -0.00 0.35 -0.14 -0.76 0.00 0.00 0.00 175.10 174.54 3a4f s LEU 17 N 0.52 2.85 -0.28 3.92 1.43 -0.37 -1.00 118.68 125.75 3a4f s LEU 17 Ca -0.12 -0.52 -0.05 0.00 -1.03 0.00 0.00 54.13 52.42 3a4f s LEU 17 Cb -0.14 -1.65 0.01 0.00 0.03 0.00 0.00 46.19 44.44 3a4f s LEU 17 CO 0.03 0.16 0.03 -0.62 0.23 0.00 0.00 176.35 176.19 3a4f s ASP 18 N -2.30 4.87 0.20 2.29 -1.08 0.75 -0.98 116.67 120.42 3a4f s ASP 18 Ca 0.20 -0.76 0.26 0.00 -0.52 0.00 0.00 52.55 51.73 3a4f s ASP 18 Cb -0.10 -1.81 0.82 0.00 -1.46 0.00 0.00 42.92 40.37 3a4f s ASP 18 CO 0.12 -0.17 1.78 0.00 0.52 0.00 0.00 175.17 177.42 3a4f n ALA 19 N 4.80 2.30 0.03 3.66 0.00 -0.30 -0.86 120.51 130.14 3a4f n ALA 19 Ca -0.15 -0.03 -0.22 0.00 0.00 0.00 0.00 53.44 53.04 3a4f n ALA 19 Cb 0.48 -1.46 -0.14 0.00 0.00 0.00 0.00 19.45 18.32 3a4f n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3a4f h VAL 20 N 0.00 1.04 0.00 0.00 2.07 -1.95 -3.37 116.25 114.04 3a4f h VAL 20 Ca 0.00 -2.44 0.00 0.00 0.82 0.00 0.00 66.70 65.08 3a4f h VAL 20 Cb 0.73 2.76 0.00 0.00 -1.52 0.00 0.00 31.29 33.26 3a4f h VAL 20 CO 0.00 0.74 -1.30 0.54 0.02 0.00 0.00 177.57 177.57 3a4f n ARG 21 N -3.86 0.46 -2.60 1.57 1.74 -1.25 -5.00 116.66 107.73 3a4f n ARG 21 Ca -0.24 -0.03 -0.07 0.00 -0.77 0.00 0.00 57.85 56.74 3a4f n ARG 21 Cb 0.94 -1.63 0.04 0.00 -1.02 0.00 0.00 32.46 30.78 3a4f n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3a4f n GLY 22 N 1.30 0.13 3.29 -0.13 0.00 -0.04 -5.04 105.19 104.70 3a4f n GLY 22 Ca -0.00 -0.25 -0.09 0.00 0.00 0.00 0.00 46.02 45.68 3a4f n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a4f s SER 23 N -3.52 0.05 0.58 1.61 1.04 -0.97 -5.00 113.70 107.50 3a4f s SER 23 Ca 0.01 -0.75 -0.20 0.00 0.48 0.00 0.00 55.95 55.49 3a4f s SER 23 Cb -0.01 0.40 -0.04 0.00 0.10 0.00 0.00 66.02 66.47 3a4f s SER 23 CO 0.29 -0.83 1.19 -2.65 0.98 0.00 0.00 173.24 172.23 3a4f n PRO 24 N -0.16 1.28 -2.98 4.02 -0.02 -1.26 -0.18 135.00 135.70 3a4f n PRO 24 Ca -0.11 0.48 -0.43 0.00 -2.02 0.00 0.00 63.50 61.42 3a4f n PRO 24 Cb 0.63 -2.39 -0.05 0.00 -0.02 0.00 0.00 33.50 31.66 3a4f n PRO 24 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a4f s ALA 25 N -1.38 3.28 0.01 3.55 0.00 -0.17 -4.55 121.76 122.49 3a4f s ALA 25 Ca 0.75 -1.23 -0.14 0.00 0.00 0.00 0.00 51.96 51.33 3a4f s ALA 25 Cb -0.42 -3.51 -0.06 0.00 0.00 0.00 0.00 23.12 19.14 3a4f s ALA 25 CO 0.47 -2.06 0.41 0.42 0.00 0.00 0.00 175.76 175.00 3a4f s ILE 26 N 3.31 5.03 -1.18 0.00 -1.09 -1.26 -4.25 121.20 121.76 3a4f s ILE 26 Ca 0.26 0.80 -0.02 0.00 -2.23 0.00 0.00 60.65 59.46 3a4f s ILE 26 Cb -0.14 -3.70 0.00 0.00 -1.58 0.00 0.00 42.46 37.04 3a4f s ILE 26 CO 0.19 0.54 0.32 -3.20 -1.23 0.00 0.00 174.94 171.56 3a4f n ASN 27 N 1.70 -4.79 -4.71 3.58 5.15 -0.17 -4.94 115.26 111.08 3a4f n ASN 27 Ca -0.13 -0.15 -0.40 0.00 -0.60 0.00 0.00 54.58 53.30 3a4f n ASN 27 Cb 0.52 -3.73 -0.05 0.00 -0.53 0.00 0.00 39.78 36.00 3a4f n ASN 27 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3a4f s VAL 28 N -2.93 5.02 0.22 3.44 1.01 -1.26 -4.71 120.40 121.19 3a4f s VAL 28 Ca 0.16 1.48 -0.30 0.00 0.00 0.00 0.00 61.98 63.31 3a4f s VAL 28 Cb -0.07 -4.06 -0.09 0.00 0.00 0.00 0.00 36.38 32.17 3a4f s VAL 28 CO 0.19 0.22 1.01 0.00 0.00 0.00 0.00 175.10 176.52 3a4f s ALA 29 N 1.01 3.35 -0.06 5.51 0.00 -1.26 -0.75 121.76 129.56 3a4f s ALA 29 Ca 0.38 0.72 -0.01 0.00 0.00 0.00 0.00 51.96 53.05 3a4f s ALA 29 Cb -0.18 -3.27 0.03 0.00 0.00 0.00 0.00 23.12 19.70 3a4f s ALA 29 CO 0.18 0.02 -0.00 0.08 0.00 0.00 0.00 175.76 176.03 3a4f s VAL 30 N -0.88 0.34 -0.07 0.00 1.01 -0.21 -0.70 120.40 119.90 3a4f s VAL 30 Ca 0.44 0.09 0.05 0.00 0.00 0.00 0.00 61.98 62.56 3a4f s VAL 30 Cb -0.28 -0.48 -0.01 0.00 0.00 0.00 0.00 36.38 35.61 3a4f s VAL 30 CO 0.35 0.23 -0.22 -1.00 0.00 0.00 0.00 175.10 174.45 3a4f s HIS 31 N 1.66 2.52 0.00 5.22 3.76 -0.36 -1.21 115.29 126.89 3a4f s HIS 31 Ca -0.00 -0.66 0.07 0.00 -0.15 0.00 0.00 55.06 54.32 3a4f s HIS 31 Cb -0.13 -1.63 -0.03 0.00 1.11 0.00 0.00 32.58 31.90 3a4f s HIS 31 CO -0.04 -0.17 -0.21 0.08 -0.85 0.00 0.00 174.74 173.54 3a4f s VAL 32 N -0.16 2.48 0.06 -0.90 1.01 0.14 0.54 120.40 123.57 3a4f s VAL 32 Ca -0.03 -1.11 0.03 0.00 0.00 0.00 0.00 61.98 60.87 3a4f s VAL 32 Cb -0.14 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 3a4f s VAL 32 CO 0.04 0.47 -0.10 -0.36 0.00 0.00 0.00 175.10 175.15 3a4f s PHE 33 N -0.76 0.89 -0.07 5.22 0.40 -0.03 -0.59 117.98 123.03 3a4f s PHE 33 Ca 0.12 -0.51 0.04 0.00 -0.60 0.00 0.00 56.93 55.98 3a4f s PHE 33 Cb -0.10 -0.51 -0.02 0.00 0.51 0.00 0.00 43.02 42.90 3a4f s PHE 33 CO 0.02 -0.03 -0.19 0.50 0.70 0.00 0.00 175.22 176.21 3a4f s ARG 34 N -1.79 2.71 0.09 0.44 3.52 -0.08 -1.28 118.95 122.56 3a4f s ARG 34 Ca -0.06 -0.80 -0.31 0.00 -0.13 0.00 0.00 55.73 54.44 3a4f s ARG 34 Cb -0.09 -2.32 -0.06 0.00 -1.56 0.00 0.00 34.95 30.91 3a4f s ARG 34 CO 0.01 0.42 1.25 0.21 -0.81 0.00 0.00 175.30 176.38 3a4f s LYS 35 N -0.22 4.41 0.54 5.12 2.20 0.28 -1.13 119.74 130.93 3a4f s LYS 35 Ca -0.01 1.86 0.01 0.00 -0.36 0.00 0.00 55.97 57.48 3a4f s LYS 35 Cb -0.13 -3.31 0.03 0.00 -1.51 0.00 0.00 37.83 32.91 3a4f s LYS 35 CO 0.03 -0.29 0.76 0.00 -0.36 0.00 0.00 175.35 175.49 3a4f s ALA 36 N 0.96 3.89 0.48 3.13 0.00 0.00 -4.75 121.76 125.47 3a4f s ALA 36 Ca 0.60 -1.30 0.17 0.00 0.00 0.00 0.00 51.96 51.43 3a4f s ALA 36 Cb -0.32 -2.08 1.20 0.00 0.00 0.00 0.00 23.12 21.92 3a4f s ALA 36 CO 0.30 -0.70 2.07 0.00 0.00 0.00 0.00 175.76 177.44 3a4f h ALA 37 N 0.12 1.76 0.00 0.00 0.00 -1.96 0.11 119.26 119.29 3a4f h ALA 37 Ca -0.43 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3a4f h ALA 37 Cb 1.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3a4f h ALA 37 CO 0.53 0.13 0.00 -0.40 0.00 0.00 0.00 179.25 179.50 3a4f n ASP 38 N -4.31 0.00 0.00 0.00 5.75 -1.26 -4.90 116.55 111.83 3a4f n ASP 38 Ca -0.03 -1.36 0.00 0.00 -0.01 0.00 0.00 54.79 53.40 3a4f n ASP 38 Cb 0.18 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.27 3a4f n ASP 38 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3a4f n ASP 39 N -0.73 -1.34 -4.91 -1.12 8.00 0.39 -5.03 116.55 111.82 3a4f n ASP 39 Ca 0.10 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.32 3a4f n ASP 39 Cb 0.04 -0.22 -0.01 0.00 -0.02 0.00 0.00 41.12 40.91 3a4f n ASP 39 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3a4f s THR 40 N -3.05 4.96 -0.16 -3.53 -4.23 -1.26 -4.80 115.64 103.57 3a4f s THR 40 Ca 0.00 0.08 -0.24 0.00 -1.18 0.00 0.00 61.69 60.35 3a4f s THR 40 Cb 0.00 -3.82 -0.02 0.00 1.34 0.00 0.00 72.50 70.00 3a4f s THR 40 CO 0.00 -0.63 0.77 0.26 -0.54 0.00 0.00 174.62 174.48 3a4f s TRP 41 N -2.46 3.43 -0.15 3.99 0.52 -1.26 -0.82 118.94 122.19 3a4f s TRP 41 Ca 0.46 1.18 -0.06 0.00 0.02 0.00 0.00 56.10 57.70 3a4f s TRP 41 Cb -0.10 -2.94 -0.04 0.00 -1.15 0.00 0.00 33.47 29.24 3a4f s TRP 41 CO 0.38 -0.19 0.05 -1.21 0.02 0.00 0.00 176.95 176.00 3a4f s GLU 42 N 1.94 3.62 0.16 4.98 0.41 -0.28 -4.90 118.70 124.62 3a4f s GLU 42 Ca 0.36 -0.34 -0.33 0.00 -0.41 0.00 0.00 54.97 54.24 3a4f s GLU 42 Cb -0.17 -3.07 -0.16 0.00 -1.78 0.00 0.00 34.13 28.95 3a4f s GLU 42 CO 0.13 0.46 1.13 -2.30 -0.49 0.00 0.00 175.26 174.18 3a4f n PRO 43 N 2.94 1.04 0.00 0.39 -0.02 -1.26 -0.90 135.00 137.19 3a4f n PRO 43 Ca -0.18 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 3a4f n PRO 43 Cb 0.53 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 3a4f n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3a4f n PHE 44 N 1.44 0.00 -3.60 6.00 7.35 0.24 -4.75 117.46 124.14 3a4f n PHE 44 Ca 0.15 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.78 3a4f n PHE 44 Cb 0.24 0.05 -0.02 0.00 0.35 0.00 0.00 39.48 40.09 3a4f n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3a4f s ALA 45 N -1.90 -1.72 0.15 3.13 0.00 -0.93 -5.00 121.76 115.49 3a4f s ALA 45 Ca 0.00 0.61 -0.25 0.00 0.00 0.00 0.00 51.96 52.32 3a4f s ALA 45 Cb 0.00 0.55 0.06 0.00 0.00 0.00 0.00 23.12 23.74 3a4f s ALA 45 CO 0.00 -0.83 0.92 -1.54 0.00 0.00 0.00 175.76 174.30 3a4f s SER 46 N -2.68 -0.22 -0.06 0.00 1.04 -1.26 0.27 113.70 110.79 3a4f s SER 46 Ca 0.07 -0.37 -0.21 0.00 0.48 0.00 0.00 55.95 55.93 3a4f s SER 46 Cb -0.01 0.51 0.07 0.00 0.10 0.00 0.00 66.02 66.68 3a4f s SER 46 CO -0.05 -0.92 0.92 0.61 0.98 0.00 0.00 173.24 174.78 3a4f n GLY 47 N -0.44 0.21 3.26 7.32 0.00 -0.35 -4.97 105.19 110.22 3a4f n GLY 47 Ca -0.06 -0.95 -0.30 0.00 0.00 0.00 0.00 46.02 44.70 3a4f n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a4f s LYS 48 N -2.00 2.22 0.53 1.61 1.02 -1.26 -1.04 119.74 120.82 3a4f s LYS 48 Ca 0.22 -0.86 -0.22 0.00 0.02 0.00 0.00 55.97 55.13 3a4f s LYS 48 Cb -0.00 -1.99 -0.05 0.00 -0.52 0.00 0.00 37.83 35.27 3a4f s LYS 48 CO -0.02 0.43 1.37 0.95 -0.92 0.00 0.00 175.35 177.16 3a4f s THR 49 N -0.32 2.05 0.43 2.17 -4.23 0.07 -4.78 115.64 111.04 3a4f s THR 49 Ca 0.02 0.04 -0.07 0.00 -1.18 0.00 0.00 61.69 60.49 3a4f s THR 49 Cb -0.12 -3.02 0.10 0.00 1.34 0.00 0.00 72.50 70.81 3a4f s THR 49 CO 0.02 0.00 0.53 -1.54 -0.54 0.00 0.00 174.62 173.08 3a4f n SER 50 N -0.93 -0.36 0.31 3.99 3.41 0.38 -1.00 113.62 119.43 3a4f n SER 50 Ca 0.10 -1.09 0.19 0.00 -0.26 0.00 0.00 58.87 57.81 3a4f n SER 50 Cb 0.44 -0.42 1.02 0.00 -0.26 0.00 0.00 64.21 64.99 3a4f n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3a4f h GLU 51 N 0.00 0.00 -0.66 4.33 4.39 -1.94 -0.98 114.58 119.72 3a4f h GLU 51 Ca -0.18 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.52 3a4f h GLU 51 Cb 0.50 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 3a4f h GLU 51 CO 0.12 0.02 0.00 -1.13 -1.16 0.00 0.00 179.01 176.86 3a4f n SER 52 N -3.41 4.10 0.00 1.42 3.41 -1.26 -4.81 113.62 113.07 3a4f n SER 52 Ca -0.03 -2.24 0.00 0.00 -0.26 0.00 0.00 58.87 56.34 3a4f n SER 52 Cb 0.11 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 3a4f n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3a4f n GLY 53 N 1.28 0.53 3.56 5.00 0.00 -0.37 -4.79 105.19 110.40 3a4f n GLY 53 Ca 0.23 -0.43 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 3a4f n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a4f s LYS 54 N -0.87 2.03 -0.22 1.61 1.02 -1.26 -0.45 119.74 121.60 3a4f s LYS 54 Ca 0.00 -1.15 -0.01 0.00 0.02 0.00 0.00 55.97 54.83 3a4f s LYS 54 Cb 0.00 -2.21 0.06 0.00 -0.52 0.00 0.00 37.83 35.16 3a4f s LYS 54 CO 0.00 0.47 -0.00 -1.17 -0.92 0.00 0.00 175.35 173.73 3a4f s LEU 55 N -2.43 1.87 0.28 3.17 2.96 -0.23 -0.47 118.68 123.81 3a4f s LEU 55 Ca 0.22 -1.03 0.06 0.00 -0.22 0.00 0.00 54.13 53.17 3a4f s LEU 55 Cb -0.10 -0.87 -0.03 0.00 0.50 0.00 0.00 46.19 45.69 3a4f s LEU 55 CO 0.14 -0.28 0.32 -1.00 -1.32 0.00 0.00 176.35 174.21 3a4f s HIS 56 N 1.64 3.21 0.00 5.38 3.76 -1.26 -2.48 115.29 125.53 3a4f s HIS 56 Ca -0.03 -0.13 0.00 0.00 -0.15 0.00 0.00 55.06 54.76 3a4f s HIS 56 Cb -0.18 -1.64 0.00 0.00 1.11 0.00 0.00 32.58 31.87 3a4f s HIS 56 CO -0.08 0.34 0.00 0.41 -0.85 0.00 0.00 174.74 174.56 3a4f n GLY 57 N -1.38 0.47 0.24 -2.22 0.00 -1.26 -4.95 105.19 96.07 3a4f n GLY 57 Ca -0.06 -0.82 -0.08 0.00 0.00 0.00 0.00 46.02 45.06 3a4f n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3a4f h LEU 58 N 0.00 0.71 0.00 0.99 3.38 -1.84 -3.47 115.31 115.07 3a4f h LEU 58 Ca 0.00 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3a4f h LEU 58 Cb 0.00 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.57 3a4f h LEU 58 CO 0.00 0.67 0.00 0.35 0.09 0.00 0.00 178.44 179.55 3a4f n THR 59 N -4.55 0.00 -4.36 0.22 -2.24 -1.26 -4.76 114.28 97.32 3a4f n THR 59 Ca 0.02 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.61 3a4f n THR 59 Cb 0.15 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.28 3a4f n THR 59 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3a4f s THR 60 N -2.12 1.37 0.23 4.28 -4.23 -1.26 -4.56 115.64 109.35 3a4f s THR 60 Ca 0.00 -2.09 -0.06 0.00 -1.18 0.00 0.00 61.69 58.36 3a4f s THR 60 Cb 0.00 -2.31 0.20 0.00 1.34 0.00 0.00 72.50 71.72 3a4f s THR 60 CO 0.00 -0.38 1.74 -0.33 -0.54 0.00 0.00 174.62 175.11 3a4f h GLU 61 N 2.43 0.43 -0.86 3.99 5.08 -1.97 -1.94 114.58 121.75 3a4f h GLU 61 Ca -0.39 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 57.99 3a4f h GLU 61 Cb 1.22 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 30.32 3a4f h GLU 61 CO 0.65 0.29 0.54 1.49 -1.00 0.00 0.00 179.01 180.98 3a4f h GLU 62 N 0.44 1.01 0.00 2.33 4.81 -2.05 -2.99 114.58 118.14 3a4f h GLU 62 Ca 0.38 -0.06 -0.14 0.00 -0.13 0.00 0.00 59.36 59.41 3a4f h GLU 62 Cb 0.54 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 3a4f h GLU 62 CO -0.37 0.67 -0.87 0.93 -0.73 0.00 0.00 179.01 178.63 3a4f h GLU 63 N 1.04 0.00 -4.28 1.92 5.08 -1.86 -3.41 114.58 113.08 3a4f h GLU 63 Ca 0.35 0.00 -0.73 0.00 -1.00 0.00 0.00 59.36 57.98 3a4f h GLU 63 Cb 0.05 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.17 3a4f h GLU 63 CO -0.13 0.50 2.00 0.34 -1.00 0.00 0.00 179.01 180.72 3a4f n PHE 64 N -3.14 3.90 -2.27 4.33 7.35 -0.77 -4.97 117.46 121.89 3a4f n PHE 64 Ca -0.02 -3.01 -0.27 0.00 -0.76 0.00 0.00 57.45 53.40 3a4f n PHE 64 Cb 0.80 -2.20 0.05 0.00 0.35 0.00 0.00 39.48 38.47 3a4f n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 3a4f s VAL 65 N 1.67 3.13 0.55 -2.13 -7.23 -1.26 -4.95 120.40 110.18 3a4f s VAL 65 Ca 0.44 -0.05 -0.20 0.00 -1.81 0.00 0.00 61.98 60.35 3a4f s VAL 65 Cb 0.06 -3.29 -0.06 0.00 0.56 0.00 0.00 36.38 33.64 3a4f s VAL 65 CO -0.00 -0.31 1.00 -0.62 -0.31 0.00 0.00 175.10 174.86 3a4f n GLU 66 N -2.75 1.08 0.00 4.82 1.02 -1.26 -4.86 120.64 118.69 3a4f n GLU 66 Ca 0.06 0.41 0.00 0.00 -0.02 0.00 0.00 57.16 57.61 3a4f n GLU 66 Cb 0.59 -2.16 0.00 0.00 -0.02 0.00 0.00 31.44 29.85 3a4f n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3a4f n GLY 67 N 1.23 -0.66 3.64 0.62 0.00 -1.15 -4.96 105.19 103.91 3a4f n GLY 67 Ca 0.12 -1.22 -0.35 0.00 0.00 0.00 0.00 46.02 44.57 3a4f n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a4f s ILE 68 N -2.00 4.63 0.11 -0.61 1.01 -1.26 -0.01 121.20 123.07 3a4f s ILE 68 Ca 0.00 -0.10 0.09 0.00 0.00 0.00 0.00 60.65 60.64 3a4f s ILE 68 Cb 0.00 -3.05 -0.04 0.00 0.01 0.00 0.00 42.46 39.39 3a4f s ILE 68 CO 0.00 0.50 -0.21 -0.31 0.00 0.00 0.00 174.94 174.92 3a4f s TYR 69 N 0.04 1.87 -0.06 3.97 1.51 0.30 -0.56 117.35 124.43 3a4f s TYR 69 Ca 0.05 -0.42 0.04 0.00 -1.01 0.00 0.00 57.07 55.73 3a4f s TYR 69 Cb -0.12 -1.01 0.00 0.00 -0.11 0.00 0.00 41.96 40.72 3a4f s TYR 69 CO 0.01 0.24 -0.17 0.21 -1.11 0.00 0.00 175.55 174.73 3a4f s LYS 70 N -2.03 1.96 -0.23 -0.62 2.20 -0.40 -0.52 119.74 120.11 3a4f s LYS 70 Ca 0.08 -0.61 -0.03 0.00 -0.36 0.00 0.00 55.97 55.05 3a4f s LYS 70 Cb -0.10 -1.64 0.00 0.00 -1.51 0.00 0.00 37.83 34.59 3a4f s LYS 70 CO 0.05 0.18 -0.05 0.08 -0.36 0.00 0.00 175.35 175.26 3a4f s VAL 71 N 0.23 3.26 -0.17 4.02 1.01 0.54 -0.85 120.40 128.43 3a4f s VAL 71 Ca -0.09 -0.62 -0.04 0.00 0.00 0.00 0.00 61.98 61.22 3a4f s VAL 71 Cb -0.14 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.70 3a4f s VAL 71 CO 0.04 0.37 -0.02 -1.61 0.00 0.00 0.00 175.10 173.88 3a4f s GLU 72 N 1.44 3.68 -0.25 2.72 2.02 0.19 -0.67 118.70 127.83 3a4f s GLU 72 Ca 0.05 -0.50 -0.03 0.00 0.02 0.00 0.00 54.97 54.50 3a4f s GLU 72 Cb -0.15 -3.00 0.01 0.00 0.10 0.00 0.00 34.13 31.10 3a4f s GLU 72 CO -0.04 0.16 -0.03 0.42 0.02 0.00 0.00 175.26 175.79 3a4f s ILE 73 N 0.59 3.20 -1.15 -1.63 1.01 0.77 -1.22 121.20 122.77 3a4f s ILE 73 Ca -0.01 -0.81 -0.18 0.00 0.00 0.00 0.00 60.65 59.65 3a4f s ILE 73 Cb -0.14 -2.57 -0.05 0.00 0.01 0.00 0.00 42.46 39.71 3a4f s ILE 73 CO 0.02 0.25 2.06 0.47 0.00 0.00 0.00 174.94 177.74 3a4f n ASP 74 N 4.74 3.32 -0.00 3.58 8.00 0.12 -0.99 116.55 135.33 3a4f n ASP 74 Ca -0.17 -2.77 -0.03 0.00 0.71 0.00 0.00 54.79 52.53 3a4f n ASP 74 Cb 0.48 -1.44 0.21 0.00 -0.02 0.00 0.00 41.12 40.36 3a4f n ASP 74 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 3a4f h THR 75 N 4.39 1.25 -0.02 -3.53 1.35 -1.87 -3.03 112.91 111.45 3a4f h THR 75 Ca 0.49 -1.15 -0.00 0.00 -0.55 0.00 0.00 66.41 65.20 3a4f h THR 75 Cb 0.68 1.22 -0.00 0.00 -1.73 0.00 0.00 68.15 68.32 3a4f h THR 75 CO 1.87 0.37 0.01 0.50 -0.25 0.00 0.00 175.52 178.02 3a4f h LYS 76 N 0.48 0.03 -0.36 4.72 3.64 -1.71 -0.30 116.57 123.06 3a4f h LYS 76 Ca 0.08 -0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.40 3a4f h LYS 76 Cb 0.58 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 3a4f h LYS 76 CO 0.04 0.06 -0.02 0.77 -2.27 0.00 0.00 179.45 178.02 3a4f h SER 77 N -0.01 0.53 0.05 4.20 0.02 -1.83 -1.42 113.55 115.09 3a4f h SER 77 Ca 0.01 -0.11 0.02 0.00 -0.84 0.00 0.00 61.79 60.86 3a4f h SER 77 Cb 0.04 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 3a4f h SER 77 CO -0.00 0.62 -0.15 0.22 -1.14 0.00 0.00 176.83 176.37 3a4f h TYR 78 N 0.54 -0.40 -0.72 3.45 3.20 -1.25 -1.80 116.97 119.98 3a4f h TYR 78 Ca 0.11 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.94 3a4f h TYR 78 Cb 0.38 0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.79 3a4f h TYR 78 CO 0.01 -0.23 0.24 -1.49 -1.64 0.00 0.00 178.16 175.06 3a4f h TRP 79 N -0.28 1.13 -0.47 -3.82 4.06 -0.90 -2.78 115.95 112.90 3a4f h TRP 79 Ca 0.04 -0.10 -0.06 0.00 2.06 0.00 0.00 58.89 60.82 3a4f h TRP 79 Cb 0.32 -0.33 -0.02 0.00 -1.00 0.00 0.00 29.16 28.13 3a4f h TRP 79 CO -0.19 0.88 0.03 0.87 -3.56 0.00 0.00 178.44 176.48 3a4f h LYS 80 N 1.06 0.75 -0.07 0.49 1.57 -1.23 -0.33 116.57 118.81 3a4f h LYS 80 Ca 0.24 -0.18 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 3a4f h LYS 80 Cb 0.27 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 3a4f h LYS 80 CO -0.01 0.74 -0.19 0.00 -0.57 0.00 0.00 179.45 179.41 3a4f h ALA 81 N 1.33 1.56 -0.03 3.86 0.00 -1.15 -0.66 119.26 124.16 3a4f h ALA 81 Ca 0.14 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3a4f h ALA 81 Cb 0.39 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3a4f h ALA 81 CO 0.01 0.33 0.00 1.28 0.00 0.00 0.00 179.25 180.87 3a4f n LEU 82 N -4.26 0.25 -1.49 0.00 4.77 -0.77 -4.92 117.00 110.57 3a4f n LEU 82 Ca -0.02 -0.11 -0.14 0.00 -0.03 0.00 0.00 56.01 55.71 3a4f n LEU 82 Cb 0.28 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.33 3a4f n LEU 82 CO 0.38 0.05 -0.17 0.61 -1.33 0.00 0.00 177.39 176.93 3a4f n GLY 83 N 0.77 0.28 3.24 -0.72 0.00 -0.26 -4.99 105.19 103.51 3a4f n GLY 83 Ca 0.11 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 3a4f n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a4f s ILE 84 N -2.67 1.94 -0.35 -0.61 1.01 -0.21 -5.01 121.20 115.31 3a4f s ILE 84 Ca 0.00 -1.00 -0.28 0.00 0.00 0.00 0.00 60.65 59.37 3a4f s ILE 84 Cb 0.00 -1.64 0.02 0.00 0.01 0.00 0.00 42.46 40.84 3a4f s ILE 84 CO 0.00 0.54 1.03 -0.55 0.00 0.00 0.00 174.94 175.97 3a4f s SER 85 N -0.12 6.83 0.43 3.58 0.15 -1.26 -3.89 113.70 119.42 3a4f s SER 85 Ca -0.04 0.87 0.08 0.00 0.70 0.00 0.00 55.95 57.56 3a4f s SER 85 Cb -0.13 -2.52 -0.00 0.00 -1.71 0.00 0.00 66.02 61.66 3a4f s SER 85 CO 0.03 -0.90 0.48 -2.16 1.20 0.00 0.00 173.24 171.90 3a4f s PRO 86 N 3.66 2.64 -0.25 5.44 0.04 -1.26 -4.84 135.00 140.43 3a4f s PRO 86 Ca 0.43 -1.42 -0.16 0.00 0.04 0.00 0.00 61.00 59.89 3a4f s PRO 86 Cb -0.12 -2.55 -0.13 0.00 0.04 0.00 0.00 34.50 31.74 3a4f s PRO 86 CO 0.18 -0.27 -0.21 0.34 0.04 0.00 0.00 177.00 177.07 3a4f n PHE 87 N -1.72 0.27 -2.77 0.56 7.35 0.14 -5.00 117.46 116.29 3a4f n PHE 87 Ca 0.06 0.12 -0.31 0.00 -0.76 0.00 0.00 57.45 56.55 3a4f n PHE 87 Cb 0.61 -0.99 -0.04 0.00 0.35 0.00 0.00 39.48 39.40 3a4f n PHE 87 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 3a4f s HIS 88 N -2.49 3.43 0.09 -5.13 3.76 -1.26 -4.97 115.29 108.72 3a4f s HIS 88 Ca -0.35 1.26 -0.16 0.00 -0.15 0.00 0.00 55.06 55.65 3a4f s HIS 88 Cb 0.12 -2.60 -0.08 0.00 1.11 0.00 0.00 32.58 31.12 3a4f s HIS 88 CO 0.51 -0.15 1.44 0.93 -0.85 0.00 0.00 174.74 176.62 3a4f h GLU 89 N 1.40 0.62 -2.38 1.40 4.39 -1.97 -3.36 114.58 114.67 3a4f h GLU 89 Ca -0.47 -0.29 0.15 0.00 0.34 0.00 0.00 59.36 59.09 3a4f h GLU 89 Cb 1.18 -0.01 -0.10 0.00 -0.10 0.00 0.00 28.75 29.73 3a4f h GLU 89 CO 0.63 0.87 0.46 -3.38 -1.16 0.00 0.00 179.01 176.44 3a4f s HIS 90 N -4.52 -0.20 -0.11 4.33 -3.43 -1.26 -3.35 115.29 106.74 3a4f s HIS 90 Ca -0.13 -0.06 -0.06 0.00 -0.80 0.00 0.00 55.06 54.00 3a4f s HIS 90 Cb 0.08 0.61 -0.04 0.00 -1.43 0.00 0.00 32.58 31.81 3a4f s HIS 90 CO 0.80 -0.78 0.12 0.00 -2.00 0.00 0.00 174.74 172.88 3a4f s ALA 91 N -3.29 3.79 -0.07 -1.38 0.00 -0.16 -4.89 121.76 115.75 3a4f s ALA 91 Ca 0.10 -0.67 0.01 0.00 0.00 0.00 0.00 51.96 51.40 3a4f s ALA 91 Cb -0.01 -1.90 0.02 0.00 0.00 0.00 0.00 23.12 21.23 3a4f s ALA 91 CO -0.01 0.62 -0.07 -2.00 0.00 0.00 0.00 175.76 174.29 3a4f s GLU 92 N -1.01 1.27 -0.17 0.00 2.12 -1.26 -0.16 118.70 119.49 3a4f s GLU 92 Ca 0.15 -0.22 0.01 0.00 0.36 0.00 0.00 54.97 55.27 3a4f s GLU 92 Cb -0.12 -1.24 0.02 0.00 0.26 0.00 0.00 34.13 33.06 3a4f s GLU 92 CO 0.04 -0.12 -0.17 0.08 -0.54 0.00 0.00 175.26 174.54 3a4f s VAL 93 N 1.18 1.83 -0.10 3.70 1.01 0.15 -4.95 120.40 123.22 3a4f s VAL 93 Ca -0.06 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.15 3a4f s VAL 93 Cb -0.14 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.56 3a4f s VAL 93 CO -0.02 0.49 -0.21 -0.69 0.00 0.00 0.00 175.10 174.67 3a4f s VAL 94 N 1.38 1.88 0.17 2.92 1.01 -1.26 -0.34 120.40 126.16 3a4f s VAL 94 Ca 0.05 -0.90 -0.20 0.00 0.00 0.00 0.00 61.98 60.92 3a4f s VAL 94 Cb -0.13 -1.64 0.05 0.00 0.00 0.00 0.00 36.38 34.66 3a4f s VAL 94 CO -0.12 0.52 0.56 0.72 0.00 0.00 0.00 175.10 176.78 3a4f s PHE 95 N 0.52 -0.36 -0.16 5.22 -0.71 0.33 -5.00 117.98 117.82 3a4f s PHE 95 Ca -0.15 0.08 -0.15 0.00 -1.04 0.00 0.00 56.93 55.67 3a4f s PHE 95 Cb -0.17 0.49 -0.05 0.00 -1.21 0.00 0.00 43.02 42.08 3a4f s PHE 95 CO 0.05 -0.87 0.33 0.99 -1.34 0.00 0.00 175.22 174.38 3a4f s THR 96 N -3.80 5.28 -0.09 -4.49 2.01 -1.26 -0.54 115.64 112.75 3a4f s THR 96 Ca 0.04 0.63 -0.21 0.00 0.31 0.00 0.00 61.69 62.45 3a4f s THR 96 Cb -0.01 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.79 3a4f s THR 96 CO -0.09 0.37 0.60 0.00 -0.69 0.00 0.00 174.62 174.81 3a4f s ALA 97 N 0.54 3.40 -0.07 7.40 0.00 0.99 -4.96 121.76 129.06 3a4f s ALA 97 Ca 0.18 -0.01 0.04 0.00 0.00 0.00 0.00 51.96 52.17 3a4f s ALA 97 Cb -0.13 -2.82 0.00 0.00 0.00 0.00 0.00 23.12 20.16 3a4f s ALA 97 CO 0.05 -0.07 -0.20 -0.80 0.00 0.00 0.00 175.76 174.74 3a4f s ASN 98 N 0.73 2.58 0.46 0.00 0.02 -1.26 -2.93 114.94 114.53 3a4f s ASN 98 Ca 0.32 -0.44 0.25 0.00 -1.02 0.00 0.00 52.86 51.97 3a4f s ASN 98 Cb -0.17 -0.98 1.05 0.00 0.02 0.00 0.00 41.25 41.17 3a4f s ASN 98 CO 0.15 0.15 1.88 0.44 0.02 0.00 0.00 177.10 179.73 3a4f h ASP 99 N 6.53 0.00 -0.09 -1.22 3.32 -1.97 -3.26 116.42 119.74 3a4f h ASP 99 Ca -0.27 0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.79 3a4f h ASP 99 Cb 1.20 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.74 3a4f h ASP 99 CO 0.47 0.20 -0.10 0.28 -1.72 0.00 0.00 179.24 178.38 3a4f h SER 100 N 0.00 -0.33 -3.08 6.45 0.02 -2.03 -3.45 113.55 111.13 3a4f h SER 100 Ca -0.00 0.04 -0.38 0.00 -0.84 0.00 0.00 61.79 60.61 3a4f h SER 100 Cb 0.66 0.14 0.21 0.00 0.14 0.00 0.00 62.40 63.55 3a4f h SER 100 CO 0.03 -0.06 -0.10 -0.83 -1.14 0.00 0.00 176.83 174.72 3a4f s GLY 101 N -1.23 1.42 0.59 -3.77 0.00 -1.23 -4.97 107.32 98.12 3a4f s GLY 101 Ca -0.02 -0.93 -0.08 0.00 0.00 0.00 0.00 44.72 43.69 3a4f s GLY 101 CO 0.10 0.11 0.29 -1.05 0.00 0.00 0.00 173.10 172.55 3a4f n PRO 102 N -5.62 -1.49 -0.01 2.90 -0.02 -1.26 -4.95 135.00 124.54 3a4f n PRO 102 Ca 0.14 -0.48 0.02 0.00 -2.02 0.00 0.00 63.50 61.16 3a4f n PRO 102 Cb 0.61 -0.82 -0.05 0.00 -0.02 0.00 0.00 33.50 33.21 3a4f n PRO 102 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3a4f n ARG 103 N -1.95 0.82 -5.10 -0.52 0.63 -0.38 -4.83 116.66 105.33 3a4f n ARG 103 Ca 0.05 -0.05 -0.32 0.00 -0.92 0.00 0.00 57.85 56.60 3a4f n ARG 103 Cb 0.20 -1.17 -0.15 0.00 0.45 0.00 0.00 32.46 31.79 3a4f n ARG 103 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3a4f s ARG 104 N -2.42 2.59 -0.22 -0.14 0.52 -0.36 -4.76 118.95 114.15 3a4f s ARG 104 Ca -0.03 -0.82 -0.03 0.00 -0.52 0.00 0.00 55.73 54.34 3a4f s ARG 104 Cb 0.04 -2.27 0.00 0.00 0.52 0.00 0.00 34.95 33.24 3a4f s ARG 104 CO 0.29 0.46 -0.07 0.71 0.02 0.00 0.00 175.30 176.71 3a4f s TYR 105 N -0.33 2.94 -0.22 -0.53 1.51 -0.30 -1.12 117.35 119.31 3a4f s TYR 105 Ca 0.02 -1.12 -0.04 0.00 -1.01 0.00 0.00 57.07 54.92 3a4f s TYR 105 Cb -0.13 -2.07 -0.01 0.00 -0.11 0.00 0.00 41.96 39.64 3a4f s TYR 105 CO 0.02 -0.61 -0.03 0.99 -1.11 0.00 0.00 175.55 174.82 3a4f s THR 106 N 1.43 3.58 -0.32 -0.71 2.01 0.22 -0.98 115.64 120.87 3a4f s THR 106 Ca 0.05 -0.43 -0.15 0.00 0.31 0.00 0.00 61.69 61.47 3a4f s THR 106 Cb -0.14 -2.63 -0.02 0.00 0.01 0.00 0.00 72.50 69.72 3a4f s THR 106 CO -0.05 0.42 0.36 -0.63 -0.69 0.00 0.00 174.62 174.03 3a4f s ILE 107 N 1.34 5.17 -0.01 1.82 -1.09 -0.17 -0.08 121.20 128.18 3a4f s ILE 107 Ca 0.04 0.17 0.01 0.00 -2.23 0.00 0.00 60.65 58.65 3a4f s ILE 107 Cb -0.14 -3.79 -0.03 0.00 -1.58 0.00 0.00 42.46 36.91 3a4f s ILE 107 CO -0.01 -0.03 -0.02 0.00 -1.23 0.00 0.00 174.94 173.65 3a4f s ALA 108 N 2.04 3.21 0.02 9.38 0.00 -0.21 -0.62 121.76 135.58 3a4f s ALA 108 Ca 0.13 -0.94 0.01 0.00 0.00 0.00 0.00 51.96 51.15 3a4f s ALA 108 Cb -0.16 -1.31 -0.02 0.00 0.00 0.00 0.00 23.12 21.63 3a4f s ALA 108 CO 0.11 0.63 -0.05 0.00 0.00 0.00 0.00 175.76 176.46 3a4f s ALA 109 N -1.03 0.31 -0.16 0.00 0.00 0.08 -0.98 121.76 119.98 3a4f s ALA 109 Ca 0.18 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.63 3a4f s ALA 109 Cb -0.11 0.05 0.03 0.00 0.00 0.00 0.00 23.12 23.09 3a4f s ALA 109 CO 0.08 -0.05 -0.11 -1.17 0.00 0.00 0.00 175.76 174.52 3a4f s LEU 110 N -1.09 1.80 -0.13 0.00 2.96 -0.40 -1.24 118.68 120.60 3a4f s LEU 110 Ca -0.09 -0.61 -0.03 0.00 -0.22 0.00 0.00 54.13 53.18 3a4f s LEU 110 Cb -0.07 -1.12 -0.03 0.00 0.50 0.00 0.00 46.19 45.47 3a4f s LEU 110 CO -0.00 -0.11 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.12 3a4f s LEU 111 N 1.50 3.31 0.32 -0.68 1.43 -0.16 -1.62 118.68 122.78 3a4f s LEU 111 Ca 0.02 -0.05 0.07 0.00 -1.03 0.00 0.00 54.13 53.14 3a4f s LEU 111 Cb -0.14 -1.78 -0.06 0.00 0.03 0.00 0.00 46.19 44.24 3a4f s LEU 111 CO -0.09 0.25 -0.04 -0.44 0.23 0.00 0.00 176.35 176.25 3a4f s SER 112 N -0.09 3.06 0.30 2.29 0.01 0.47 -1.15 113.70 118.60 3a4f s SER 112 Ca 0.02 -1.25 0.01 0.00 1.31 0.00 0.00 55.95 56.04 3a4f s SER 112 Cb -0.13 -0.23 0.48 0.00 0.21 0.00 0.00 66.02 66.35 3a4f s SER 112 CO 0.02 -0.37 1.85 -0.65 0.41 0.00 0.00 173.24 174.51 3a4f h PRO 113 N 2.13 0.73 -0.22 12.44 0.11 -1.99 -3.10 132.00 142.09 3a4f h PRO 113 Ca -0.41 -0.14 0.00 0.00 0.11 0.00 0.00 66.00 65.55 3a4f h PRO 113 Cb 1.24 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3a4f h PRO 113 CO 0.70 0.67 0.00 0.66 -0.21 0.00 0.00 178.00 179.82 3a4f n TYR 114 N -4.29 0.52 -3.63 0.65 4.02 -1.26 -0.69 117.16 112.49 3a4f n TYR 114 Ca 0.03 -0.70 -0.15 0.00 -0.01 0.00 0.00 57.90 57.07 3a4f n TYR 114 Cb 0.22 -0.15 -0.07 0.00 -0.02 0.00 0.00 39.34 39.31 3a4f n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3a4f s SER 115 N -1.59 -0.63 0.13 7.72 0.15 -1.17 -4.98 113.70 113.32 3a4f s SER 115 Ca 0.28 1.09 -0.08 0.00 0.70 0.00 0.00 55.95 57.95 3a4f s SER 115 Cb 0.21 1.08 -0.01 0.00 -1.71 0.00 0.00 66.02 65.59 3a4f s SER 115 CO 0.09 -0.32 0.22 -0.72 1.20 0.00 0.00 173.24 173.72 3a4f s TYR 116 N -0.09 0.37 0.07 3.44 -0.85 -1.26 -0.39 117.35 118.64 3a4f s TYR 116 Ca -0.03 -0.76 0.06 0.00 -0.52 0.00 0.00 57.07 55.82 3a4f s TYR 116 Cb -0.04 -0.11 -0.03 0.00 0.38 0.00 0.00 41.96 42.17 3a4f s TYR 116 CO 0.03 -0.63 -0.15 -1.54 -1.52 0.00 0.00 175.55 171.73 3a4f s SER 117 N -2.94 1.84 0.02 -0.18 1.04 -0.64 -4.98 113.70 107.86 3a4f s SER 117 Ca 0.13 -0.62 0.02 0.00 0.48 0.00 0.00 55.95 55.97 3a4f s SER 117 Cb 0.04 -0.07 -0.01 0.00 0.10 0.00 0.00 66.02 66.08 3a4f s SER 117 CO -0.04 -0.04 -0.08 0.28 0.98 0.00 0.00 173.24 174.34 3a4f s THR 118 N -1.22 0.60 -0.00 2.02 -1.32 -1.26 -1.27 115.64 113.19 3a4f s THR 118 Ca -0.00 -0.70 0.01 0.00 -1.21 0.00 0.00 61.69 59.79 3a4f s THR 118 Cb -0.10 -0.58 -0.00 0.00 -1.51 0.00 0.00 72.50 70.31 3a4f s THR 118 CO 0.03 -0.09 -0.03 -0.89 -2.21 0.00 0.00 174.62 171.42 3a4f s THR 119 N -0.74 0.26 -0.26 5.08 2.01 -0.15 -4.98 115.64 116.85 3a4f s THR 119 Ca -0.03 -0.15 -0.11 0.00 0.31 0.00 0.00 61.69 61.71 3a4f s THR 119 Cb -0.06 -0.23 -0.05 0.00 0.01 0.00 0.00 72.50 72.17 3a4f s THR 119 CO 0.00 0.06 0.17 0.00 -0.69 0.00 0.00 174.62 174.17 3a4f s ALA 120 N -0.10 3.54 -0.33 7.40 0.00 -1.26 -1.05 121.76 129.96 3a4f s ALA 120 Ca 0.01 -1.01 -0.09 0.00 0.00 0.00 0.00 51.96 50.88 3a4f s ALA 120 Cb -0.01 -2.39 0.02 0.00 0.00 0.00 0.00 23.12 20.73 3a4f s ALA 120 CO -0.00 -0.40 0.14 0.08 0.00 0.00 0.00 175.76 175.59 3a4f s VAL 121 N 1.46 4.26 -0.26 0.00 1.01 0.89 -4.96 120.40 122.79 3a4f s VAL 121 Ca 0.07 -0.79 -0.02 0.00 0.00 0.00 0.00 61.98 61.24 3a4f s VAL 121 Cb -0.15 -3.30 0.03 0.00 0.00 0.00 0.00 36.38 32.96 3a4f s VAL 121 CO 0.08 -0.09 -0.05 -0.69 0.00 0.00 0.00 175.10 174.36 3a4f s VAL 122 N 1.52 2.88 0.28 2.92 1.01 -1.26 -0.61 120.40 127.14 3a4f s VAL 122 Ca 0.02 -1.14 0.02 0.00 0.00 0.00 0.00 61.98 60.88 3a4f s VAL 122 Cb -0.18 -2.52 -0.05 0.00 0.00 0.00 0.00 36.38 33.63 3a4f s VAL 122 CO 0.05 0.11 0.11 0.42 0.00 0.00 0.00 175.10 175.79 3a4f s THR 123 N 1.30 0.53 -2.48 3.92 -4.23 -0.28 -4.81 115.64 109.59 3a4f s THR 123 Ca -0.02 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 58.78 3a4f s THR 123 Cb -0.18 -2.60 0.57 0.00 1.34 0.00 0.00 72.50 71.64 3a4f s THR 123 CO -0.04 0.00 1.77 0.59 -0.54 0.00 0.00 174.62 176.40