#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3djt n PRO 11 N 0.00 0.19 -3.46 0.00 -0.04 -1.26 -4.85 135.00 125.57 3djt n PRO 11 Ca 0.00 -0.08 -0.07 0.00 -0.04 0.00 0.00 63.50 63.31 3djt n PRO 11 Cb 0.00 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.89 3djt n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3djt s LEU 12 N -2.87 -0.77 0.04 1.53 2.96 -1.26 -2.10 118.68 116.22 3djt s LEU 12 Ca 0.16 0.69 0.03 0.00 -0.22 0.00 0.00 54.13 54.79 3djt s LEU 12 Cb 0.18 1.42 -0.02 0.00 0.50 0.00 0.00 46.19 48.27 3djt s LEU 12 CO 0.60 -0.26 -0.10 -0.32 -1.32 0.00 0.00 176.35 174.95 3djt s MET 13 N 2.63 0.67 -0.07 1.98 -2.45 -0.82 -4.23 119.30 117.01 3djt s MET 13 Ca 0.07 -0.71 0.01 0.00 -1.25 0.00 0.00 55.69 53.81 3djt s MET 13 Cb -0.14 -0.58 0.02 0.00 1.25 0.00 0.00 34.83 35.38 3djt s MET 13 CO -0.15 0.13 -0.07 0.08 1.05 0.00 0.00 175.02 176.05 3djt s VAL 14 N -1.03 0.85 -0.14 10.11 1.01 -0.97 -1.33 120.40 128.90 3djt s VAL 14 Ca -0.04 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.70 3djt s VAL 14 Cb -0.08 -0.85 -0.00 0.00 0.00 0.00 0.00 36.38 35.45 3djt s VAL 14 CO 0.01 0.31 -0.16 -0.75 0.00 0.00 0.00 175.10 174.51 3djt s LYS 15 N 1.18 3.21 0.00 2.72 2.20 -0.01 -0.54 119.74 128.49 3djt s LYS 15 Ca -0.06 -0.76 0.06 0.00 -0.36 0.00 0.00 55.97 54.85 3djt s LYS 15 Cb -0.14 -2.58 -0.03 0.00 -1.51 0.00 0.00 37.83 33.58 3djt s LYS 15 CO -0.02 0.06 -0.17 0.08 -0.36 0.00 0.00 175.35 174.94 3djt s VAL 16 N 0.69 2.81 0.08 4.02 1.01 -0.30 -1.54 120.40 127.16 3djt s VAL 16 Ca -0.08 -1.01 0.06 0.00 0.00 0.00 0.00 61.98 60.96 3djt s VAL 16 Cb -0.16 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 3djt s VAL 16 CO 0.02 0.46 -0.17 -0.76 0.00 0.00 0.00 175.10 174.65 3djt s LEU 17 N -1.08 2.27 -0.43 3.92 1.43 0.11 -1.59 118.68 123.31 3djt s LEU 17 Ca 0.13 -0.62 -0.18 0.00 -1.03 0.00 0.00 54.13 52.43 3djt s LEU 17 Cb -0.10 -0.68 0.02 0.00 0.03 0.00 0.00 46.19 45.46 3djt s LEU 17 CO 0.03 -0.00 0.49 -0.62 0.23 0.00 0.00 176.35 176.48 3djt s ASP 18 N -1.69 6.23 0.12 2.29 -1.08 -0.36 -0.38 116.67 121.79 3djt s ASP 18 Ca 0.02 -0.60 0.25 0.00 -0.52 0.00 0.00 52.55 51.69 3djt s ASP 18 Cb -0.10 -2.25 0.95 0.00 -1.46 0.00 0.00 42.92 40.07 3djt s ASP 18 CO 0.03 -0.64 1.77 0.00 0.52 0.00 0.00 175.17 176.85 3djt n ALA 19 N 5.77 2.11 0.01 3.66 0.00 -0.23 -0.99 120.51 130.85 3djt n ALA 19 Ca -0.06 -0.03 -0.21 0.00 0.00 0.00 0.00 53.44 53.14 3djt n ALA 19 Cb 0.47 -1.43 -0.14 0.00 0.00 0.00 0.00 19.45 18.36 3djt n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3djt h VAL 20 N 0.00 1.11 0.00 0.00 2.07 -1.93 -3.39 116.25 114.11 3djt h VAL 20 Ca 0.00 -2.42 0.00 0.00 0.82 0.00 0.00 66.70 65.10 3djt h VAL 20 Cb 0.54 2.79 0.00 0.00 -1.52 0.00 0.00 31.29 33.09 3djt h VAL 20 CO 0.00 0.69 -0.82 0.54 0.02 0.00 0.00 177.57 178.01 3djt n ARG 21 N -3.98 2.13 -3.28 1.57 1.74 -1.24 -5.01 116.66 108.59 3djt n ARG 21 Ca -0.23 -0.02 -0.15 0.00 -0.77 0.00 0.00 57.85 56.67 3djt n ARG 21 Cb 0.88 -1.18 0.08 0.00 -1.02 0.00 0.00 32.46 31.22 3djt n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3djt n GLY 22 N 1.39 -0.51 3.19 -0.13 0.00 -0.16 -5.05 105.19 103.92 3djt n GLY 22 Ca 0.02 0.19 -0.09 0.00 0.00 0.00 0.00 46.02 46.14 3djt n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3djt s SER 23 N -4.02 0.26 0.51 1.61 1.04 -1.15 -5.02 113.70 106.93 3djt s SER 23 Ca 0.12 -1.05 -0.22 0.00 0.48 0.00 0.00 55.95 55.28 3djt s SER 23 Cb -0.02 0.32 -0.06 0.00 0.10 0.00 0.00 66.02 66.36 3djt s SER 23 CO 0.69 -0.75 1.24 -2.16 0.98 0.00 0.00 173.24 173.24 3djt s PRO 24 N -3.99 3.41 -0.45 4.02 0.04 -1.26 -1.23 135.00 135.54 3djt s PRO 24 Ca 0.18 1.94 -0.29 0.00 0.04 0.00 0.00 61.00 62.87 3djt s PRO 24 Cb 0.06 -2.27 0.02 0.00 0.04 0.00 0.00 34.50 32.36 3djt s PRO 24 CO -0.02 -0.88 1.22 0.00 0.04 0.00 0.00 177.00 177.36 3djt s ALA 25 N -1.48 3.15 -0.11 8.56 0.00 -0.62 -4.59 121.76 126.67 3djt s ALA 25 Ca 0.69 -0.35 -0.10 0.00 0.00 0.00 0.00 51.96 52.20 3djt s ALA 25 Cb -0.33 -3.89 -0.05 0.00 0.00 0.00 0.00 23.12 18.85 3djt s ALA 25 CO 0.39 -2.24 0.22 0.42 0.00 0.00 0.00 175.76 174.54 3djt s ILE 26 N 4.68 5.36 -0.27 0.00 1.01 -1.26 -4.28 121.20 126.45 3djt s ILE 26 Ca 0.52 0.39 -0.00 0.00 0.00 0.00 0.00 60.65 61.56 3djt s ILE 26 Cb -0.09 -3.51 0.00 0.00 0.01 0.00 0.00 42.46 38.86 3djt s ILE 26 CO 0.31 0.54 0.06 0.59 0.00 0.00 0.00 174.94 176.44 3djt n ASN 27 N 2.46 -2.07 -4.58 3.58 3.02 -0.38 -4.98 115.26 112.31 3djt n ASN 27 Ca -0.17 -0.03 -0.42 0.00 -0.03 0.00 0.00 54.58 53.94 3djt n ASN 27 Cb 0.53 -1.23 -0.06 0.00 -0.61 0.00 0.00 39.78 38.42 3djt n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3djt s VAL 28 N -2.43 4.88 0.21 2.41 1.01 -1.26 -4.77 120.40 120.45 3djt s VAL 28 Ca 0.03 0.74 -0.30 0.00 0.00 0.00 0.00 61.98 62.45 3djt s VAL 28 Cb -0.01 -4.08 -0.08 0.00 0.00 0.00 0.00 36.38 32.21 3djt s VAL 28 CO 0.03 -0.28 1.06 0.00 0.00 0.00 0.00 175.10 175.92 3djt s ALA 29 N 2.75 3.37 0.05 5.51 0.00 -1.26 -1.29 121.76 130.88 3djt s ALA 29 Ca 0.26 0.79 -0.11 0.00 0.00 0.00 0.00 51.96 52.90 3djt s ALA 29 Cb -0.14 -3.31 0.01 0.00 0.00 0.00 0.00 23.12 19.67 3djt s ALA 29 CO 0.14 -0.11 0.23 0.00 0.00 0.00 0.00 175.76 176.03 3djt s MET 30 N -0.79 0.77 -0.03 0.00 0.23 -0.07 -1.27 119.30 118.14 3djt s MET 30 Ca 0.46 -0.65 0.02 0.00 -1.03 0.00 0.00 55.69 54.50 3djt s MET 30 Cb -0.29 0.32 0.01 0.00 -1.53 0.00 0.00 34.83 33.34 3djt s MET 30 CO 0.36 -0.24 -0.08 -1.01 -2.03 0.00 0.00 175.02 172.02 3djt s HIS 31 N -2.81 0.92 0.21 3.16 3.76 -0.27 -1.90 115.29 118.36 3djt s HIS 31 Ca -0.03 -0.25 0.07 0.00 -0.15 0.00 0.00 55.06 54.69 3djt s HIS 31 Cb 0.00 -0.69 -0.04 0.00 1.11 0.00 0.00 32.58 32.96 3djt s HIS 31 CO -0.05 -0.14 0.13 0.08 -0.85 0.00 0.00 174.74 173.91 3djt s VAL 32 N 0.42 4.27 -0.06 -0.90 1.01 0.22 -0.48 120.40 124.88 3djt s VAL 32 Ca -0.07 -1.33 -0.13 0.00 0.00 0.00 0.00 61.98 60.45 3djt s VAL 32 Cb -0.11 -3.24 0.03 0.00 0.00 0.00 0.00 36.38 33.06 3djt s VAL 32 CO 0.01 -0.23 0.31 -0.36 0.00 0.00 0.00 175.10 174.83 3djt s PHE 33 N -1.95 -0.25 -0.09 5.22 0.08 -0.27 -1.64 117.98 119.09 3djt s PHE 33 Ca 0.31 0.50 0.02 0.00 0.12 0.00 0.00 56.93 57.89 3djt s PHE 33 Cb -0.09 0.10 -0.02 0.00 -0.57 0.00 0.00 43.02 42.45 3djt s PHE 33 CO 0.23 -0.30 -0.15 0.50 -0.10 0.00 0.00 175.22 175.40 3djt s ARG 34 N -0.74 2.91 -0.27 0.44 3.52 -1.00 -0.31 118.95 123.49 3djt s ARG 34 Ca -0.08 -0.71 -0.29 0.00 -0.13 0.00 0.00 55.73 54.52 3djt s ARG 34 Cb -0.04 -2.47 -0.02 0.00 -1.56 0.00 0.00 34.95 30.86 3djt s ARG 34 CO 0.03 0.41 1.56 0.21 -0.81 0.00 0.00 175.30 176.70 3djt s LYS 35 N -0.19 3.72 0.60 5.12 2.20 -0.21 -2.67 119.74 128.32 3djt s LYS 35 Ca -0.00 1.46 -0.14 0.00 -0.36 0.00 0.00 55.97 56.92 3djt s LYS 35 Cb -0.13 -4.03 -0.04 0.00 -1.51 0.00 0.00 37.83 32.12 3djt s LYS 35 CO 0.03 -1.38 1.04 0.00 -0.36 0.00 0.00 175.35 174.69 3djt s ALA 36 N 5.32 2.83 0.46 3.13 0.00 -0.32 -4.75 121.76 128.42 3djt s ALA 36 Ca 0.69 0.23 0.34 0.00 0.00 0.00 0.00 51.96 53.22 3djt s ALA 36 Cb -0.22 -3.18 1.51 0.00 0.00 0.00 0.00 23.12 21.23 3djt s ALA 36 CO 0.29 -0.76 1.59 0.00 0.00 0.00 0.00 175.76 176.88 3djt h ALA 37 N 0.22 2.94 -0.36 0.00 0.00 -1.94 1.84 119.26 121.97 3djt h ALA 37 Ca -0.46 0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.48 3djt h ALA 37 Cb 1.21 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 19.18 3djt h ALA 37 CO 0.59 -1.60 0.09 -0.40 0.00 0.00 0.00 179.25 177.93 3djt n ASP 38 N -4.62 3.44 -2.95 0.00 5.68 -1.26 -4.93 116.55 111.91 3djt n ASP 38 Ca 0.40 -2.58 -0.19 0.00 -0.50 0.00 0.00 54.79 51.92 3djt n ASP 38 Cb 1.59 -0.62 0.00 0.00 -1.14 0.00 0.00 41.12 40.95 3djt n ASP 38 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3djt n ASP 39 N 0.14 -4.34 -4.92 -1.12 8.00 0.63 -5.00 116.55 109.94 3djt n ASP 39 Ca 0.19 -0.16 -0.22 0.00 0.71 0.00 0.00 54.79 55.32 3djt n ASP 39 Cb 0.84 -3.60 -0.03 0.00 -0.02 0.00 0.00 41.12 38.32 3djt n ASP 39 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3djt s THR 40 N -2.88 5.00 -0.27 -3.53 -4.23 -1.25 -4.84 115.64 103.65 3djt s THR 40 Ca 0.23 -1.11 -0.09 0.00 -1.18 0.00 0.00 61.69 59.55 3djt s THR 40 Cb -0.12 -3.71 -0.03 0.00 1.34 0.00 0.00 72.50 69.98 3djt s THR 40 CO 0.28 -0.32 0.12 0.26 -0.54 0.00 0.00 174.62 174.42 3djt s TRP 41 N -2.01 3.14 -0.10 3.99 0.52 -1.26 -1.18 118.94 122.04 3djt s TRP 41 Ca 0.34 -0.24 -0.03 0.00 0.02 0.00 0.00 56.10 56.19 3djt s TRP 41 Cb -0.09 -2.30 -0.03 0.00 -1.15 0.00 0.00 33.47 29.90 3djt s TRP 41 CO 0.28 -0.30 0.03 -1.83 0.02 0.00 0.00 176.95 175.15 3djt s GLU 42 N 1.67 3.13 0.42 4.98 -1.05 -1.09 -4.95 118.70 121.80 3djt s GLU 42 Ca 0.06 -0.35 -0.24 0.00 -0.15 0.00 0.00 54.97 54.30 3djt s GLU 42 Cb -0.16 -2.89 -0.11 0.00 -0.44 0.00 0.00 34.13 30.53 3djt s GLU 42 CO 0.07 0.70 0.86 -2.30 0.95 0.00 0.00 175.26 175.53 3djt n PRO 43 N 2.18 1.06 0.00 -4.83 -0.02 -1.26 -2.37 135.00 129.76 3djt n PRO 43 Ca -0.19 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 3djt n PRO 43 Cb 0.54 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 3djt n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3djt n PHE 44 N -0.62 0.00 -3.61 6.00 7.35 -0.65 -4.75 117.46 121.17 3djt n PHE 44 Ca 0.10 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.75 3djt n PHE 44 Cb 0.39 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.19 3djt n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3djt s ALA 45 N -1.21 -2.08 0.35 3.13 0.00 -1.19 -4.99 121.76 115.77 3djt s ALA 45 Ca 0.00 1.73 -0.17 0.00 0.00 0.00 0.00 51.96 53.51 3djt s ALA 45 Cb 0.00 -0.69 0.04 0.00 0.00 0.00 0.00 23.12 22.47 3djt s ALA 45 CO 0.00 -0.43 0.76 -1.54 0.00 0.00 0.00 175.76 174.55 3djt s SER 46 N -1.64 -0.08 0.00 0.00 1.04 -1.26 0.69 113.70 112.46 3djt s SER 46 Ca 0.08 -0.97 0.00 0.00 0.48 0.00 0.00 55.95 55.54 3djt s SER 46 Cb -0.01 0.81 0.00 0.00 0.10 0.00 0.00 66.02 66.92 3djt s SER 46 CO -0.05 -1.57 0.00 0.61 0.98 0.00 0.00 173.24 173.22 3djt n GLY 47 N -0.51 -2.59 3.13 7.32 0.00 -0.80 -4.99 105.19 106.76 3djt n GLY 47 Ca -0.07 -1.29 -0.21 0.00 0.00 0.00 0.00 46.02 44.45 3djt n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3djt s LYS 48 N -1.97 1.04 0.31 1.61 1.02 -1.26 -0.89 119.74 119.60 3djt s LYS 48 Ca 0.00 -0.65 -0.29 0.00 0.02 0.00 0.00 55.97 55.05 3djt s LYS 48 Cb 0.00 -1.04 -0.10 0.00 -0.52 0.00 0.00 37.83 36.17 3djt s LYS 48 CO 0.00 0.27 1.26 0.95 -0.92 0.00 0.00 175.35 176.91 3djt s THR 49 N -0.62 2.92 0.00 2.17 -4.23 -0.42 -4.78 115.64 110.69 3djt s THR 49 Ca 0.04 0.92 0.00 0.00 -1.18 0.00 0.00 61.69 61.47 3djt s THR 49 Cb -0.07 -3.59 0.00 0.00 1.34 0.00 0.00 72.50 70.18 3djt s THR 49 CO 0.01 0.22 0.00 -1.54 -0.54 0.00 0.00 174.62 172.76 3djt n SER 50 N 0.97 -0.31 0.27 3.99 3.41 0.18 -1.25 113.62 120.87 3djt n SER 50 Ca -0.00 -0.40 0.15 0.00 -0.26 0.00 0.00 58.87 58.36 3djt n SER 50 Cb 0.43 0.00 0.76 0.00 -0.26 0.00 0.00 64.21 65.14 3djt n SER 50 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 3djt h GLU 51 N 0.00 0.00 -0.14 4.33 4.11 -1.94 -0.99 114.58 119.95 3djt h GLU 51 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3djt h GLU 51 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3djt h GLU 51 CO 0.00 0.09 0.00 -1.13 0.07 0.00 0.00 179.01 178.04 3djt n SER 52 N -3.37 1.02 -1.36 3.06 3.41 -1.26 -4.77 113.62 110.35 3djt n SER 52 Ca -0.01 -1.76 -0.16 0.00 -0.26 0.00 0.00 58.87 56.68 3djt n SER 52 Cb 0.26 -0.09 -0.06 0.00 -0.26 0.00 0.00 64.21 64.05 3djt n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3djt n GLY 53 N 0.92 1.31 3.46 5.00 0.00 -0.38 -4.80 105.19 110.70 3djt n GLY 53 Ca 0.12 -0.24 -0.25 0.00 0.00 0.00 0.00 46.02 45.65 3djt n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3djt s GLU 54 N -3.62 1.63 -0.06 1.61 2.02 -1.26 -1.15 118.70 117.87 3djt s GLU 54 Ca 0.00 -1.62 -0.03 0.00 0.02 0.00 0.00 54.97 53.34 3djt s GLU 54 Cb 0.00 -1.83 0.04 0.00 0.10 0.00 0.00 34.13 32.43 3djt s GLU 54 CO 0.00 0.37 0.08 -1.17 0.02 0.00 0.00 175.26 174.56 3djt s LEU 55 N -3.09 0.12 0.42 1.80 2.96 0.30 -0.65 118.68 120.54 3djt s LEU 55 Ca 0.25 0.05 0.07 0.00 -0.22 0.00 0.00 54.13 54.28 3djt s LEU 55 Cb -0.07 -0.08 -0.07 0.00 0.50 0.00 0.00 46.19 46.48 3djt s LEU 55 CO 0.13 -0.26 0.04 -1.00 -1.32 0.00 0.00 176.35 173.94 3djt s HIS 56 N 2.19 2.50 -0.52 5.38 3.76 -1.26 -2.30 115.29 125.04 3djt s HIS 56 Ca 0.04 -0.67 0.00 0.00 -0.15 0.00 0.00 55.06 54.29 3djt s HIS 56 Cb -0.12 -1.81 0.00 0.00 1.11 0.00 0.00 32.58 31.76 3djt s HIS 56 CO -0.04 0.39 0.00 0.41 -0.85 0.00 0.00 174.74 174.65 3djt n GLY 57 N -1.04 0.53 0.36 -2.22 0.00 -1.26 -4.94 105.19 96.62 3djt n GLY 57 Ca -0.05 -0.76 -0.14 0.00 0.00 0.00 0.00 46.02 45.07 3djt n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3djt h LEU 58 N 0.00 -0.95 0.00 0.99 3.38 -1.87 -3.47 115.31 113.39 3djt h LEU 58 Ca -0.12 0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3djt h LEU 58 Cb 0.66 0.35 0.00 0.00 0.09 0.00 0.00 40.66 41.75 3djt h LEU 58 CO 0.16 -0.45 0.00 1.07 0.09 0.00 0.00 178.44 179.31 3djt n THR 59 N -5.44 0.00 -4.24 0.22 5.66 -1.26 -4.88 114.28 104.34 3djt n THR 59 Ca -0.08 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.75 3djt n THR 59 Cb 0.34 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.02 3djt n THR 59 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 3djt s THR 60 N -1.39 1.30 0.15 1.09 2.01 -1.26 -4.65 115.64 112.89 3djt s THR 60 Ca 0.00 -1.79 0.33 0.00 0.31 0.00 0.00 61.69 60.54 3djt s THR 60 Cb 0.00 -1.59 0.37 0.00 0.01 0.00 0.00 72.50 71.29 3djt s THR 60 CO 0.00 -0.49 1.99 1.05 -0.69 0.00 0.00 174.62 176.48 3djt h GLU 61 N 3.36 0.00 -0.42 4.92 4.11 -1.99 0.43 114.58 124.99 3djt h GLU 61 Ca -0.39 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 58.94 3djt h GLU 61 Cb 1.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 3djt h GLU 61 CO 0.53 0.03 -0.14 0.93 0.07 0.00 0.00 179.01 180.44 3djt h GLU 62 N 0.00 0.83 0.00 1.06 5.08 -2.03 -3.22 114.58 116.30 3djt h GLU 62 Ca -0.00 -0.34 -0.10 0.00 -1.00 0.00 0.00 59.36 57.92 3djt h GLU 62 Cb 0.51 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 3djt h GLU 62 CO 0.00 0.97 -0.55 0.93 -1.00 0.00 0.00 179.01 179.36 3djt h GLU 63 N 0.65 0.00 -4.61 2.33 4.39 -1.82 -3.40 114.58 112.12 3djt h GLU 63 Ca 0.10 0.00 -0.72 0.00 0.34 0.00 0.00 59.36 59.08 3djt h GLU 63 Cb 0.68 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 29.23 3djt h GLU 63 CO 0.05 0.43 2.23 0.34 -1.16 0.00 0.00 179.01 180.90 3djt n PHE 64 N -3.17 4.06 -2.51 4.33 7.35 0.09 -4.95 117.46 122.66 3djt n PHE 64 Ca 0.01 -2.98 -0.27 0.00 -0.76 0.00 0.00 57.45 53.44 3djt n PHE 64 Cb 0.72 -2.37 0.01 0.00 0.35 0.00 0.00 39.48 38.19 3djt n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 3djt s VAL 65 N 2.53 4.56 0.33 -2.13 -7.23 -1.26 -4.86 120.40 112.34 3djt s VAL 65 Ca 0.47 0.20 -0.29 0.00 -1.81 0.00 0.00 61.98 60.55 3djt s VAL 65 Cb 0.06 -3.76 -0.12 0.00 0.56 0.00 0.00 36.38 33.13 3djt s VAL 65 CO 0.00 -0.77 1.52 -0.62 -0.31 0.00 0.00 175.10 174.92 3djt n GLU 66 N -2.39 2.62 0.00 4.82 1.02 -1.26 -4.87 120.64 120.57 3djt n GLU 66 Ca 0.02 0.92 0.00 0.00 -0.02 0.00 0.00 57.16 58.09 3djt n GLU 66 Cb 0.56 -2.67 0.00 0.00 -0.02 0.00 0.00 31.44 29.31 3djt n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3djt n GLY 67 N 1.37 -0.32 3.66 0.62 0.00 -1.17 -4.98 105.19 104.38 3djt n GLY 67 Ca 0.05 -1.17 -0.41 0.00 0.00 0.00 0.00 46.02 44.50 3djt n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3djt s ILE 68 N -2.00 4.97 0.17 -0.61 1.01 -1.26 -0.98 121.20 122.50 3djt s ILE 68 Ca 0.00 1.36 0.11 0.00 0.00 0.00 0.00 60.65 62.12 3djt s ILE 68 Cb 0.00 -4.02 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 3djt s ILE 68 CO 0.00 0.08 -0.24 -0.31 0.00 0.00 0.00 174.94 174.47 3djt s TYR 69 N 2.00 2.20 -0.20 3.97 1.51 0.29 -1.05 117.35 126.07 3djt s TYR 69 Ca 0.32 -0.38 -0.03 0.00 -1.01 0.00 0.00 57.07 55.98 3djt s TYR 69 Cb -0.16 -1.12 0.06 0.00 -0.11 0.00 0.00 41.96 40.63 3djt s TYR 69 CO 0.11 0.42 0.04 0.21 -1.11 0.00 0.00 175.55 175.22 3djt s LYS 70 N -2.51 0.67 0.00 -0.62 2.20 0.58 -1.82 119.74 118.24 3djt s LYS 70 Ca 0.18 -0.47 -0.18 0.00 -0.36 0.00 0.00 55.97 55.13 3djt s LYS 70 Cb -0.08 -2.10 -0.06 0.00 -1.51 0.00 0.00 37.83 34.08 3djt s LYS 70 CO 0.08 -0.67 0.51 0.08 -0.36 0.00 0.00 175.35 174.99 3djt s VAL 71 N 1.84 4.93 -0.19 4.02 1.01 0.06 -1.11 120.40 130.96 3djt s VAL 71 Ca -0.00 1.07 -0.00 0.00 0.00 0.00 0.00 61.98 63.04 3djt s VAL 71 Cb -0.17 -3.84 0.05 0.00 0.00 0.00 0.00 36.38 32.42 3djt s VAL 71 CO -0.09 0.50 -0.04 -0.70 0.00 0.00 0.00 175.10 174.76 3djt s GLU 72 N -0.63 1.43 -0.32 2.72 2.12 0.37 -0.30 118.70 124.09 3djt s GLU 72 Ca 0.27 -0.68 -0.09 0.00 0.36 0.00 0.00 54.97 54.84 3djt s GLU 72 Cb -0.18 -2.23 0.01 0.00 0.26 0.00 0.00 34.13 31.99 3djt s GLU 72 CO 0.16 -0.51 0.14 0.42 -0.54 0.00 0.00 175.26 174.92 3djt s ILE 73 N 1.57 4.35 -1.02 -3.70 1.01 0.10 -1.12 121.20 122.40 3djt s ILE 73 Ca -0.02 -0.64 -0.22 0.00 0.00 0.00 0.00 60.65 59.77 3djt s ILE 73 Cb -0.17 -3.28 -0.11 0.00 0.01 0.00 0.00 42.46 38.91 3djt s ILE 73 CO -0.07 -0.01 1.92 -0.67 0.00 0.00 0.00 174.94 176.11 3djt n ASP 74 N 4.94 2.95 0.10 3.58 2.03 -0.40 -1.52 116.55 128.23 3djt n ASP 74 Ca -0.14 -2.70 -0.05 0.00 0.52 0.00 0.00 54.79 52.42 3djt n ASP 74 Cb 0.48 -1.47 0.08 0.00 -0.72 0.00 0.00 41.12 39.48 3djt n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 3djt h THR 75 N 5.38 1.47 -0.01 5.18 1.35 -1.86 -3.08 112.91 121.33 3djt h THR 75 Ca 0.32 -2.35 -0.00 0.00 -0.55 0.00 0.00 66.41 63.83 3djt h THR 75 Cb 0.82 2.26 -0.00 0.00 -1.73 0.00 0.00 68.15 69.50 3djt h THR 75 CO 1.56 0.68 0.00 0.50 -0.25 0.00 0.00 175.52 178.01 3djt h LYS 76 N 0.08 0.01 0.00 4.72 1.63 -1.75 -2.40 116.57 118.86 3djt h LYS 76 Ca -0.02 -0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.78 3djt h LYS 76 Cb 1.28 -0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.91 3djt h LYS 76 CO 0.10 0.19 -0.01 0.77 -3.45 0.00 0.00 179.45 177.05 3djt h SER 77 N -0.17 0.00 0.26 4.20 0.02 -1.83 -0.32 113.55 115.70 3djt h SER 77 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 3djt h SER 77 Cb 0.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.73 3djt h SER 77 CO -0.00 0.01 -0.12 0.22 -1.14 0.00 0.00 176.83 175.80 3djt h TYR 78 N 0.00 -0.32 -0.60 3.45 3.20 -1.40 -2.89 116.97 118.42 3djt h TYR 78 Ca -0.00 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.79 3djt h TYR 78 Cb 0.05 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 3djt h TYR 78 CO 0.00 0.05 0.07 -1.49 -1.64 0.00 0.00 178.16 175.15 3djt h TRP 79 N -0.87 1.08 -0.35 -3.82 4.06 -1.29 -2.84 115.95 111.93 3djt h TRP 79 Ca -0.04 -0.16 0.06 0.00 2.06 0.00 0.00 58.89 60.82 3djt h TRP 79 Cb 0.51 -0.29 -0.08 0.00 -1.00 0.00 0.00 29.16 28.30 3djt h TRP 79 CO 0.05 0.93 -0.45 0.87 -3.56 0.00 0.00 178.44 176.29 3djt h LYS 80 N 0.91 -0.36 -0.31 0.49 1.57 -1.09 -1.08 116.57 116.69 3djt h LYS 80 Ca 0.18 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 3djt h LYS 80 Cb 0.46 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 3djt h LYS 80 CO 0.02 -0.24 0.14 0.00 -0.57 0.00 0.00 179.45 178.79 3djt h ALA 81 N 0.28 1.67 0.00 3.86 0.00 -1.41 -0.18 119.26 123.47 3djt h ALA 81 Ca 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3djt h ALA 81 Cb 0.60 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3djt h ALA 81 CO -0.54 0.27 0.00 1.28 0.00 0.00 0.00 179.25 180.26 3djt n LEU 82 N -4.43 0.00 0.00 0.00 4.77 -0.52 -4.91 117.00 111.92 3djt n LEU 82 Ca 0.02 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 3djt n LEU 82 Cb 0.12 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 3djt n LEU 82 CO 0.36 -0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 3djt n GLY 83 N 0.64 0.57 3.53 -0.72 0.00 -0.08 -5.05 105.19 104.08 3djt n GLY 83 Ca 0.11 -0.55 -0.33 0.00 0.00 0.00 0.00 46.02 45.26 3djt n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3djt s ILE 84 N -2.00 3.33 -0.43 -0.61 1.01 -0.72 -5.02 121.20 116.76 3djt s ILE 84 Ca 0.00 -0.72 -0.24 0.00 0.00 0.00 0.00 60.65 59.70 3djt s ILE 84 Cb 0.00 -2.36 0.02 0.00 0.01 0.00 0.00 42.46 40.13 3djt s ILE 84 CO 0.00 0.53 0.82 -0.55 0.00 0.00 0.00 174.94 175.74 3djt s SER 85 N -0.97 6.47 0.74 3.58 0.15 -1.26 -3.50 113.70 118.90 3djt s SER 85 Ca 0.13 0.07 -0.04 0.00 0.70 0.00 0.00 55.95 56.81 3djt s SER 85 Cb -0.11 -2.41 0.11 0.00 -1.71 0.00 0.00 66.02 61.91 3djt s SER 85 CO 0.03 -0.91 1.02 -2.16 1.20 0.00 0.00 173.24 172.42 3djt s PRO 86 N 3.37 1.71 -0.24 5.44 0.04 -1.26 -4.80 135.00 139.27 3djt s PRO 86 Ca 0.32 -0.79 -0.09 0.00 0.04 0.00 0.00 61.00 60.48 3djt s PRO 86 Cb -0.12 -2.24 -0.11 0.00 0.04 0.00 0.00 34.50 32.07 3djt s PRO 86 CO 0.22 -1.48 -0.29 0.34 0.04 0.00 0.00 177.00 175.84 3djt n PHE 87 N -2.94 0.00 -2.97 0.56 7.35 -0.71 -4.97 117.46 113.78 3djt n PHE 87 Ca 0.13 0.00 -0.33 0.00 -0.76 0.00 0.00 57.45 56.48 3djt n PHE 87 Cb 0.60 -0.85 -0.07 0.00 0.35 0.00 0.00 39.48 39.51 3djt n PHE 87 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 3djt s HIS 88 N -2.44 3.41 0.07 -5.13 3.76 -1.26 -5.00 115.29 108.70 3djt s HIS 88 Ca -0.33 1.45 -0.05 0.00 -0.15 0.00 0.00 55.06 55.98 3djt s HIS 88 Cb 0.12 -2.71 -0.29 0.00 1.11 0.00 0.00 32.58 30.81 3djt s HIS 88 CO 0.44 0.05 1.13 0.93 -0.85 0.00 0.00 174.74 176.43 3djt h GLU 89 N 2.33 0.28 -2.57 1.40 4.39 -1.96 -3.38 114.58 115.07 3djt h GLU 89 Ca -0.48 -0.48 0.16 0.00 0.34 0.00 0.00 59.36 58.90 3djt h GLU 89 Cb 1.18 0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 29.98 3djt h GLU 89 CO 0.64 1.23 0.60 -3.38 -1.16 0.00 0.00 179.01 176.93 3djt s HIS 90 N -2.65 0.09 -0.14 4.33 -3.43 -1.26 -3.81 115.29 108.42 3djt s HIS 90 Ca -0.04 -0.50 0.00 0.00 -0.80 0.00 0.00 55.06 53.73 3djt s HIS 90 Cb 0.07 0.71 -0.01 0.00 -1.43 0.00 0.00 32.58 31.92 3djt s HIS 90 CO 0.89 -0.93 -0.15 0.00 -2.00 0.00 0.00 174.74 172.54 3djt s ALA 91 N -2.07 2.50 -0.12 -1.38 0.00 -0.58 -4.90 121.76 115.22 3djt s ALA 91 Ca 0.23 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.20 3djt s ALA 91 Cb -0.03 -1.18 -0.02 0.00 0.00 0.00 0.00 23.12 21.90 3djt s ALA 91 CO 0.06 0.09 -0.13 -1.21 0.00 0.00 0.00 175.76 174.57 3djt s GLU 92 N 0.62 3.30 -0.23 0.00 2.02 -1.26 0.03 118.70 123.18 3djt s GLU 92 Ca -0.09 -0.68 -0.04 0.00 0.02 0.00 0.00 54.97 54.19 3djt s GLU 92 Cb -0.16 -2.62 -0.00 0.00 0.10 0.00 0.00 34.13 31.45 3djt s GLU 92 CO 0.03 0.26 -0.04 0.08 0.02 0.00 0.00 175.26 175.62 3djt s VAL 93 N 0.22 3.37 -0.16 2.63 1.01 0.59 -4.97 120.40 123.09 3djt s VAL 93 Ca -0.08 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.36 3djt s VAL 93 Cb -0.15 -2.57 0.02 0.00 0.00 0.00 0.00 36.38 33.68 3djt s VAL 93 CO 0.05 0.38 -0.19 -0.69 0.00 0.00 0.00 175.10 174.65 3djt s VAL 94 N 1.47 1.91 0.11 2.92 1.01 -1.26 -0.76 120.40 125.80 3djt s VAL 94 Ca 0.05 -0.86 -0.11 0.00 0.00 0.00 0.00 61.98 61.06 3djt s VAL 94 Cb -0.15 -1.73 0.01 0.00 0.00 0.00 0.00 36.38 34.51 3djt s VAL 94 CO -0.03 0.52 0.26 0.72 0.00 0.00 0.00 175.10 176.57 3djt s PHE 95 N 1.21 0.10 -0.24 5.22 -0.71 -0.76 -5.01 117.98 117.79 3djt s PHE 95 Ca 0.02 -0.49 -0.18 0.00 -1.04 0.00 0.00 56.93 55.24 3djt s PHE 95 Cb -0.14 0.02 -0.03 0.00 -1.21 0.00 0.00 43.02 41.67 3djt s PHE 95 CO -0.09 -0.61 0.49 0.99 -1.34 0.00 0.00 175.22 174.65 3djt s THR 96 N -3.86 5.10 -0.31 -4.49 2.01 -1.26 -0.55 115.64 112.28 3djt s THR 96 Ca 0.06 0.85 -0.29 0.00 0.31 0.00 0.00 61.69 62.62 3djt s THR 96 Cb 0.04 -3.81 -0.00 0.00 0.01 0.00 0.00 72.50 68.74 3djt s THR 96 CO -0.10 0.13 1.39 0.00 -0.69 0.00 0.00 174.62 175.35 3djt s ALA 97 N 2.05 3.28 0.50 7.40 0.00 -0.15 -4.94 121.76 129.90 3djt s ALA 97 Ca 0.21 0.12 -0.05 0.00 0.00 0.00 0.00 51.96 52.24 3djt s ALA 97 Cb -0.15 -3.82 -0.02 0.00 0.00 0.00 0.00 23.12 19.12 3djt s ALA 97 CO 0.09 -1.94 0.80 0.54 0.00 0.00 0.00 175.76 175.25 3djt s ASN 98 N 3.33 6.03 0.03 0.00 4.22 -1.26 -3.05 114.94 124.24 3djt s ASN 98 Ca 0.60 0.79 -0.01 0.00 -2.14 0.00 0.00 52.86 52.10 3djt s ASN 98 Cb -0.18 -2.02 -0.01 0.00 1.28 0.00 0.00 41.25 40.33 3djt s ASN 98 CO 0.26 -0.72 -0.03 0.47 -2.04 0.00 0.00 177.10 175.05 3djt n ASP 99 N -2.32 0.66 -0.14 3.54 9.92 -1.26 -4.73 116.55 122.22 3djt n ASP 99 Ca 0.02 0.09 -0.08 0.00 -0.53 0.00 0.00 54.79 54.29 3djt n ASP 99 Cb 0.56 -0.21 -0.02 0.00 -0.64 0.00 0.00 41.12 40.81 3djt n ASP 99 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 3djt h SER 100 N -0.07 -1.20 -4.02 -2.24 0.02 -2.05 -3.42 113.55 100.56 3djt h SER 100 Ca -0.03 0.21 -0.53 0.00 -0.84 0.00 0.00 61.79 60.60 3djt h SER 100 Cb 0.57 0.55 0.20 0.00 0.14 0.00 0.00 62.40 63.86 3djt h SER 100 CO -0.02 -0.33 0.03 0.61 -1.14 0.00 0.00 176.83 175.98 3djt n GLY 101 N -1.42 -0.75 3.55 -3.77 0.00 -1.26 -4.96 105.19 96.57 3djt n GLY 101 Ca 0.01 -0.69 -0.51 0.00 0.00 0.00 0.00 46.02 44.83 3djt n GLY 101 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3djt n PRO 102 N -3.43 0.84 -2.65 1.61 -0.04 -1.26 -4.94 135.00 125.13 3djt n PRO 102 Ca 0.11 0.30 -0.22 0.00 -0.04 0.00 0.00 63.50 63.65 3djt n PRO 102 Cb 0.52 -1.77 -0.00 0.00 -0.04 0.00 0.00 33.50 32.21 3djt n PRO 102 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 3djt n ARG 103 N 1.76 2.69 -3.75 0.54 1.85 -1.21 -4.70 116.66 113.83 3djt n ARG 103 Ca 0.17 -4.19 -0.29 0.00 -1.00 0.00 0.00 57.85 52.54 3djt n ARG 103 Cb 0.21 -1.97 -0.16 0.00 -1.05 0.00 0.00 32.46 29.49 3djt n ARG 103 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 3djt s ARG 104 N -3.35 0.77 -0.20 2.89 6.06 -1.09 -4.78 118.95 119.24 3djt s ARG 104 Ca 0.43 -0.69 -0.12 0.00 -2.50 0.00 0.00 55.73 52.85 3djt s ARG 104 Cb 0.39 -2.10 -0.05 0.00 0.06 0.00 0.00 34.95 33.26 3djt s ARG 104 CO -0.12 -0.76 0.22 0.71 -2.50 0.00 0.00 175.30 172.85 3djt s TYR 105 N 1.74 3.38 -0.20 5.12 1.51 -0.89 -1.69 117.35 126.32 3djt s TYR 105 Ca 0.02 0.40 0.01 0.00 -1.01 0.00 0.00 57.07 56.50 3djt s TYR 105 Cb -0.17 -2.29 0.03 0.00 -0.11 0.00 0.00 41.96 39.41 3djt s TYR 105 CO -0.14 0.16 -0.16 0.99 -1.11 0.00 0.00 175.55 175.28 3djt s THR 106 N 0.76 2.00 -0.15 -0.71 2.01 -0.73 -1.95 115.64 116.87 3djt s THR 106 Ca 0.11 -1.10 -0.04 0.00 0.31 0.00 0.00 61.69 60.98 3djt s THR 106 Cb -0.13 -1.92 -0.03 0.00 0.01 0.00 0.00 72.50 70.44 3djt s THR 106 CO 0.03 0.35 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.66 3djt s ILE 107 N 1.27 4.06 -0.06 1.82 1.01 -0.44 -0.87 121.20 127.98 3djt s ILE 107 Ca 0.01 -0.30 0.05 0.00 0.00 0.00 0.00 60.65 60.41 3djt s ILE 107 Cb -0.15 -2.78 -0.01 0.00 0.01 0.00 0.00 42.46 39.53 3djt s ILE 107 CO -0.10 0.50 -0.22 0.00 0.00 0.00 0.00 174.94 175.12 3djt s ALA 108 N 0.26 1.92 -0.12 9.38 0.00 -0.85 -0.83 121.76 131.51 3djt s ALA 108 Ca -0.02 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 51.06 3djt s ALA 108 Cb -0.14 -0.63 0.02 0.00 0.00 0.00 0.00 23.12 22.37 3djt s ALA 108 CO 0.02 0.34 -0.16 0.00 0.00 0.00 0.00 175.76 175.96 3djt s ALA 109 N 0.01 1.85 -0.26 0.00 0.00 -0.59 -1.81 121.76 120.96 3djt s ALA 109 Ca -0.06 -0.85 -0.11 0.00 0.00 0.00 0.00 51.96 50.94 3djt s ALA 109 Cb -0.14 -0.92 -0.05 0.00 0.00 0.00 0.00 23.12 22.01 3djt s ALA 109 CO 0.04 -0.14 0.20 -1.17 0.00 0.00 0.00 175.76 174.69 3djt s LEU 110 N 1.08 4.07 -0.16 0.00 2.96 -0.16 0.09 118.68 126.57 3djt s LEU 110 Ca -0.04 0.10 -0.02 0.00 -0.22 0.00 0.00 54.13 53.95 3djt s LEU 110 Cb -0.14 -2.16 -0.02 0.00 0.50 0.00 0.00 46.19 44.37 3djt s LEU 110 CO -0.04 -0.01 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.15 3djt s LEU 111 N 1.44 3.00 0.18 -0.68 1.43 0.48 -1.47 118.68 123.06 3djt s LEU 111 Ca 0.09 -0.24 0.06 0.00 -1.03 0.00 0.00 54.13 53.00 3djt s LEU 111 Cb -0.15 -1.72 -0.05 0.00 0.03 0.00 0.00 46.19 44.31 3djt s LEU 111 CO 0.08 0.13 -0.12 -0.44 0.23 0.00 0.00 176.35 176.24 3djt s SER 112 N 0.55 2.15 0.18 2.29 0.01 0.75 -1.07 113.70 118.56 3djt s SER 112 Ca -0.05 -1.03 -0.21 0.00 1.31 0.00 0.00 55.95 55.98 3djt s SER 112 Cb -0.15 -0.07 0.11 0.00 0.21 0.00 0.00 66.02 66.13 3djt s SER 112 CO 0.03 -0.27 1.59 -0.65 0.41 0.00 0.00 173.24 174.36 3djt h PRO 113 N 2.66 -0.17 -0.53 12.44 0.11 -1.99 -2.78 132.00 141.74 3djt h PRO 113 Ca -0.37 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3djt h PRO 113 Cb 1.21 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3djt h PRO 113 CO 0.63 -0.11 0.00 0.66 -0.21 0.00 0.00 178.00 178.97 3djt n TYR 114 N -5.43 1.13 -3.56 0.65 4.02 -1.26 -1.73 117.16 110.99 3djt n TYR 114 Ca 0.03 -0.62 -0.17 0.00 -0.01 0.00 0.00 57.90 57.14 3djt n TYR 114 Cb 0.35 -0.19 -0.06 0.00 -0.02 0.00 0.00 39.34 39.42 3djt n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3djt s SER 115 N -1.10 -0.66 0.06 7.72 0.15 -1.05 -4.98 113.70 113.85 3djt s SER 115 Ca 0.43 0.85 -0.15 0.00 0.70 0.00 0.00 55.95 57.79 3djt s SER 115 Cb 0.28 0.73 0.02 0.00 -1.71 0.00 0.00 66.02 65.34 3djt s SER 115 CO 0.21 -0.52 0.34 -0.72 1.20 0.00 0.00 173.24 173.75 3djt s TYR 116 N -0.84 -0.14 0.13 3.44 -0.85 -1.26 -0.18 117.35 117.64 3djt s TYR 116 Ca -0.09 -0.02 0.09 0.00 -0.52 0.00 0.00 57.07 56.53 3djt s TYR 116 Cb -0.01 0.14 -0.04 0.00 0.38 0.00 0.00 41.96 42.43 3djt s TYR 116 CO 0.08 -0.56 -0.21 0.45 -1.52 0.00 0.00 175.55 173.79 3djt s SER 117 N -2.23 2.69 -0.05 -0.18 0.15 -0.54 -4.96 113.70 108.59 3djt s SER 117 Ca -0.03 -0.75 -0.03 0.00 0.70 0.00 0.00 55.95 55.85 3djt s SER 117 Cb 0.00 -0.16 0.02 0.00 -1.71 0.00 0.00 66.02 64.18 3djt s SER 117 CO -0.05 0.05 0.11 0.28 1.20 0.00 0.00 173.24 174.82 3djt s THR 118 N -1.41 -0.03 0.06 6.45 -1.32 -1.26 -0.99 115.64 117.14 3djt s THR 118 Ca 0.10 0.11 0.02 0.00 -1.21 0.00 0.00 61.69 60.71 3djt s THR 118 Cb -0.09 -0.17 -0.03 0.00 -1.51 0.00 0.00 72.50 70.70 3djt s THR 118 CO 0.05 0.04 -0.08 -0.89 -2.21 0.00 0.00 174.62 171.54 3djt s THR 119 N 0.68 0.61 -0.11 5.08 2.01 -0.75 -4.99 115.64 118.17 3djt s THR 119 Ca -0.05 -1.26 0.02 0.00 0.31 0.00 0.00 61.69 60.71 3djt s THR 119 Cb -0.07 -0.85 -0.01 0.00 0.01 0.00 0.00 72.50 71.58 3djt s THR 119 CO -0.03 -0.47 -0.19 0.00 -0.69 0.00 0.00 174.62 173.25 3djt s ALA 120 N -1.81 2.39 -0.36 7.40 0.00 -1.26 -2.00 121.76 126.12 3djt s ALA 120 Ca -0.05 -0.93 -0.08 0.00 0.00 0.00 0.00 51.96 50.89 3djt s ALA 120 Cb -0.07 -1.00 0.04 0.00 0.00 0.00 0.00 23.12 22.09 3djt s ALA 120 CO -0.00 0.28 0.16 0.08 0.00 0.00 0.00 175.76 176.28 3djt s VAL 121 N 0.32 4.12 -0.38 0.00 1.01 -0.05 -4.97 120.40 120.44 3djt s VAL 121 Ca -0.14 -1.09 -0.14 0.00 0.00 0.00 0.00 61.98 60.61 3djt s VAL 121 Cb -0.17 -3.36 0.01 0.00 0.00 0.00 0.00 36.38 32.86 3djt s VAL 121 CO 0.07 -0.26 0.26 -0.69 0.00 0.00 0.00 175.10 174.49 3djt s VAL 122 N 1.45 5.16 0.41 2.92 1.01 -1.26 -1.77 120.40 128.33 3djt s VAL 122 Ca 0.00 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.51 3djt s VAL 122 Cb -0.20 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 3djt s VAL 122 CO 0.04 -0.18 0.06 0.42 0.00 0.00 0.00 175.10 175.44 3djt s THR 123 N 1.68 1.15 -0.82 3.92 -4.23 -0.68 -4.96 115.64 111.70 3djt s THR 123 Ca 0.05 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.63 3djt s THR 123 Cb -0.18 -2.55 0.05 0.00 1.34 0.00 0.00 72.50 71.16 3djt s THR 123 CO 0.10 0.00 0.71 0.59 -0.54 0.00 0.00 174.62 175.47