#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dj4 s SER 2 N 0.00 -0.81 -0.12 1.61 0.15 -1.26 -5.17 113.70 108.10 2dj4 s SER 2 Ca 0.00 1.40 -0.15 0.00 0.70 0.00 0.00 55.95 57.90 2dj4 s SER 2 Cb 0.00 1.38 0.04 0.00 -1.71 0.00 0.00 66.02 65.72 2dj4 s SER 2 CO 0.00 -0.23 0.40 -0.44 1.20 0.00 0.00 173.24 174.17 2dj4 s SER 3 N 1.04 -0.38 0.00 5.45 0.01 -1.26 -5.16 113.70 113.40 2dj4 s SER 3 Ca -0.05 0.66 0.00 0.00 1.31 0.00 0.00 55.95 57.86 2dj4 s SER 3 Cb -0.05 0.71 0.00 0.00 0.21 0.00 0.00 66.02 66.89 2dj4 s SER 3 CO -0.11 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 173.93 2dj4 n GLY 4 N 2.45 0.74 3.14 3.44 0.00 -1.26 -5.18 105.19 108.52 2dj4 n GLY 4 Ca -0.15 -0.61 -0.12 0.00 0.00 0.00 0.00 46.02 45.14 2dj4 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dj4 s SER 5 N 1.81 1.13 -0.10 1.61 0.15 -1.26 -5.03 113.70 112.00 2dj4 s SER 5 Ca 0.00 -0.82 -0.00 0.00 0.70 0.00 0.00 55.95 55.83 2dj4 s SER 5 Cb 0.00 0.06 0.07 0.00 -1.71 0.00 0.00 66.02 64.43 2dj4 s SER 5 CO 0.00 -0.34 2.01 -1.54 1.20 0.00 0.00 173.24 174.57 2dj4 n SER 6 N 0.57 5.71 0.04 5.45 3.41 -1.26 -4.40 113.62 123.13 2dj4 n SER 6 Ca -0.16 -2.62 -0.02 0.00 -0.26 0.00 0.00 58.87 55.80 2dj4 n SER 6 Cb 0.58 -1.11 -0.01 0.00 -0.26 0.00 0.00 64.21 63.41 2dj4 n SER 6 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2dj4 h GLY 7 N 2.85 -0.17 -3.16 5.00 0.00 -1.97 -3.46 103.07 102.16 2dj4 h GLY 7 Ca 0.09 0.06 -0.57 0.00 0.00 0.00 0.00 47.33 46.92 2dj4 h GLY 7 CO 0.24 -0.06 -1.28 1.55 0.00 0.00 0.00 176.54 176.99 2dj4 n VAL 8 N -3.94 0.32 -3.54 4.60 3.14 -1.26 -4.83 118.33 112.83 2dj4 n VAL 8 Ca -0.02 -0.46 -0.37 0.00 -2.96 0.00 0.00 64.34 60.54 2dj4 n VAL 8 Cb 0.06 -0.18 -0.07 0.00 -1.06 0.00 0.00 33.84 32.59 2dj4 n VAL 8 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 2dj4 s VAL 9 N -2.02 5.27 -0.36 1.55 1.01 -1.26 -4.74 120.40 119.86 2dj4 s VAL 9 Ca 0.51 0.60 0.01 0.00 0.00 0.00 0.00 61.98 63.10 2dj4 s VAL 9 Cb -0.31 -3.64 0.11 0.00 0.00 0.00 0.00 36.38 32.54 2dj4 s VAL 9 CO 0.72 0.43 0.14 -1.81 0.00 0.00 0.00 175.10 174.57 2dj4 s ASP 10 N 0.16 4.02 0.00 3.32 1.01 0.64 -4.96 116.67 120.86 2dj4 s ASP 10 Ca 0.18 -2.04 0.15 0.00 0.71 0.00 0.00 52.55 51.56 2dj4 s ASP 10 Cb -0.14 -1.03 0.88 0.00 1.01 0.00 0.00 42.92 43.64 2dj4 s ASP 10 CO 0.06 -0.36 1.36 -0.81 0.21 0.00 0.00 175.17 175.63 2dj4 n PRO 11 N 4.34 0.42 -0.49 8.23 -0.04 -1.26 -2.12 135.00 144.07 2dj4 n PRO 11 Ca 0.02 0.04 0.11 0.00 -0.04 0.00 0.00 63.50 63.63 2dj4 n PRO 11 Cb 0.39 -1.50 0.34 0.00 -0.04 0.00 0.00 33.50 32.70 2dj4 n PRO 11 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dj4 n SER 12 N -1.07 4.36 -0.04 3.54 7.64 -1.26 -4.06 113.62 122.72 2dj4 n SER 12 Ca 0.10 -2.22 0.02 0.00 1.01 0.00 0.00 58.87 57.79 2dj4 n SER 12 Cb 0.07 -0.53 -0.01 0.00 -1.01 0.00 0.00 64.21 62.72 2dj4 n SER 12 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2dj4 n LYS 13 N 1.41 4.18 -2.99 1.43 4.76 -0.90 -4.94 118.16 121.11 2dj4 n LYS 13 Ca 0.25 -0.19 -0.40 0.00 -2.87 0.00 0.00 58.31 55.09 2dj4 n LYS 13 Cb 0.75 -0.78 -0.05 0.00 -1.84 0.00 0.00 35.03 33.12 2dj4 n LYS 13 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2dj4 s VAL 14 N -1.09 4.98 0.43 -0.18 0.11 -1.26 -4.35 120.40 119.05 2dj4 s VAL 14 Ca 0.02 1.50 0.04 0.00 -2.93 0.00 0.00 61.98 60.62 2dj4 s VAL 14 Cb 0.03 -4.07 -0.05 0.00 -1.53 0.00 0.00 36.38 30.75 2dj4 s VAL 14 CO 0.12 0.16 0.02 -0.54 -3.33 0.00 0.00 175.10 171.53 2dj4 s LYS 15 N 1.39 2.00 -0.12 1.54 1.02 -0.66 -4.90 119.74 120.01 2dj4 s LYS 15 Ca 0.37 -2.19 -0.08 0.00 0.02 0.00 0.00 55.97 54.09 2dj4 s LYS 15 Cb -0.17 -1.44 0.04 0.00 -0.52 0.00 0.00 37.83 35.74 2dj4 s LYS 15 CO 0.16 -0.20 0.31 0.96 -0.92 0.00 0.00 175.35 175.66 2dj4 s ILE 16 N -2.87 -0.02 0.03 2.17 -4.36 -1.26 -0.73 121.20 114.15 2dj4 s ILE 16 Ca 0.25 0.07 -0.00 0.00 -0.26 0.00 0.00 60.65 60.71 2dj4 s ILE 16 Cb 0.07 -0.45 -0.02 0.00 1.25 0.00 0.00 42.46 43.30 2dj4 s ILE 16 CO 0.13 0.03 -0.03 0.00 0.24 0.00 0.00 174.94 175.31 2dj4 s ALA 17 N 0.81 0.20 0.00 2.27 0.00 -0.23 -4.98 121.76 119.83 2dj4 s ALA 17 Ca -0.05 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.19 2dj4 s ALA 17 Cb -0.06 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.23 2dj4 s ALA 17 CO -0.06 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 175.91 2dj4 n GLY 18 N 1.27 1.01 0.25 0.00 0.00 -1.26 -0.40 105.19 106.06 2dj4 n GLY 18 Ca -0.22 -1.59 -0.11 0.00 0.00 0.00 0.00 46.02 44.10 2dj4 n GLY 18 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dj4 h PRO 19 N 0.00 0.82 -0.35 1.61 0.13 -1.96 -2.33 132.00 129.92 2dj4 h PRO 19 Ca 0.00 -0.43 0.10 0.00 -0.87 0.00 0.00 66.00 64.80 2dj4 h PRO 19 Cb 0.00 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.13 2dj4 h PRO 19 CO 0.00 1.07 0.48 0.78 -0.23 0.00 0.00 178.00 180.10 2dj4 h GLY 20 N 0.87 0.00 0.00 1.56 0.00 -1.85 0.16 103.07 103.81 2dj4 h GLY 20 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 2dj4 h GLY 20 CO 0.09 0.00 -1.53 1.04 0.00 0.00 0.00 176.54 176.14 2dj4 n LEU 21 N -3.48 0.13 -4.29 3.11 4.77 -1.15 -4.92 117.00 111.17 2dj4 n LEU 21 Ca 0.06 -0.09 -0.30 0.00 -0.03 0.00 0.00 56.01 55.65 2dj4 n LEU 21 Cb 0.64 0.00 0.29 0.00 -2.33 0.00 0.00 43.42 42.02 2dj4 n LEU 21 CO 0.24 0.03 0.40 -0.83 -1.33 0.00 0.00 177.39 175.89 2dj4 s GLY 22 N -3.55 1.41 -0.07 -0.72 0.00 0.56 -4.90 107.32 100.05 2dj4 s GLY 22 Ca -0.04 -0.74 0.11 0.00 0.00 0.00 0.00 44.72 44.06 2dj4 s GLY 22 CO 0.64 0.26 1.31 -1.14 0.00 0.00 0.00 173.10 174.17 2dj4 n SER 23 N -5.66 3.21 -2.22 1.64 3.41 -1.26 -4.20 113.62 108.53 2dj4 n SER 23 Ca 0.12 -2.29 -0.27 0.00 -0.26 0.00 0.00 58.87 56.16 2dj4 n SER 23 Cb 0.59 -0.46 0.03 0.00 -0.26 0.00 0.00 64.21 64.11 2dj4 n SER 23 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dj4 n GLY 24 N 0.81 6.19 3.86 5.00 0.00 -1.26 -4.97 105.19 114.82 2dj4 n GLY 24 Ca 0.16 -2.63 -0.37 0.00 0.00 0.00 0.00 46.02 43.18 2dj4 n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dj4 s VAL 25 N -4.88 5.25 0.11 1.61 1.01 -1.26 -5.02 120.40 117.22 2dj4 s VAL 25 Ca 0.52 0.47 0.10 0.00 0.00 0.00 0.00 61.98 63.08 2dj4 s VAL 25 Cb 0.42 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.20 2dj4 s VAL 25 CO -0.05 0.54 -0.26 -0.13 0.00 0.00 0.00 175.10 175.21 2dj4 s ARG 26 N -1.23 1.42 0.59 2.72 0.52 -1.26 -0.27 118.95 121.44 2dj4 s ARG 26 Ca 0.22 -1.26 -0.19 0.00 -0.52 0.00 0.00 55.73 53.98 2dj4 s ARG 26 Cb -0.14 -1.80 -0.03 0.00 0.52 0.00 0.00 34.95 33.49 2dj4 s ARG 26 CO 0.11 0.43 1.20 0.00 0.02 0.00 0.00 175.30 177.07 2dj4 s ALA 27 N -1.02 2.54 -1.50 2.13 0.00 0.15 -3.09 121.76 120.97 2dj4 s ALA 27 Ca 0.12 0.99 -0.12 0.00 0.00 0.00 0.00 51.96 52.95 2dj4 s ALA 27 Cb -0.10 -3.45 0.07 0.00 0.00 0.00 0.00 23.12 19.64 2dj4 s ALA 27 CO 0.05 -1.16 0.98 0.54 0.00 0.00 0.00 175.76 176.16 2dj4 n ARG 28 N -1.61 -5.71 -4.29 0.00 1.74 0.26 -4.41 116.66 102.63 2dj4 n ARG 28 Ca 0.13 0.62 -0.18 0.00 -0.77 0.00 0.00 57.85 57.66 2dj4 n ARG 28 Cb 0.50 -5.50 -0.14 0.00 -1.02 0.00 0.00 32.46 26.30 2dj4 n ARG 28 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2dj4 s VAL 29 N -3.34 0.78 -0.21 1.55 1.01 -1.18 -5.01 120.40 114.01 2dj4 s VAL 29 Ca 0.59 -0.69 -0.29 0.00 0.00 0.00 0.00 61.98 61.59 2dj4 s VAL 29 Cb -0.29 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 2dj4 s VAL 29 CO 0.82 0.03 1.78 -0.22 0.00 0.00 0.00 175.10 177.51 2dj4 s LEU 30 N -0.74 3.83 -0.08 3.92 2.96 -1.26 -4.17 118.68 123.14 2dj4 s LEU 30 Ca 0.00 1.74 0.03 0.00 -0.22 0.00 0.00 54.13 55.69 2dj4 s LEU 30 Cb -0.06 -3.53 -0.02 0.00 0.50 0.00 0.00 46.19 43.09 2dj4 s LEU 30 CO 0.00 -1.41 -0.18 -1.10 -1.32 0.00 0.00 176.35 172.34 2dj4 s GLN 31 N 5.05 2.82 -0.01 1.98 -1.52 0.80 -4.99 119.66 123.80 2dj4 s GLN 31 Ca 0.79 -0.78 -0.11 0.00 -1.95 0.00 0.00 55.36 53.32 2dj4 s GLN 31 Cb -0.28 -2.38 0.01 0.00 -0.22 0.00 0.00 33.01 30.15 2dj4 s GLN 31 CO 0.32 0.39 0.22 0.45 -0.25 0.00 0.00 175.29 176.42 2dj4 s SER 32 N -0.14 -0.09 0.25 5.90 0.15 -1.26 -0.11 113.70 118.40 2dj4 s SER 32 Ca -0.02 -0.02 -0.01 0.00 0.70 0.00 0.00 55.95 56.60 2dj4 s SER 32 Cb -0.14 0.28 -0.03 0.00 -1.71 0.00 0.00 66.02 64.42 2dj4 s SER 32 CO 0.04 -0.37 0.26 0.72 1.20 0.00 0.00 173.24 175.08 2dj4 s PHE 33 N -1.21 1.17 -0.11 3.44 -0.71 -1.13 -2.68 117.98 116.74 2dj4 s PHE 33 Ca -0.13 -1.34 0.00 0.00 -1.04 0.00 0.00 56.93 54.42 2dj4 s PHE 33 Cb -0.06 -0.43 -0.02 0.00 -1.21 0.00 0.00 43.02 41.30 2dj4 s PHE 33 CO 0.03 -0.81 -0.11 0.99 -1.34 0.00 0.00 175.22 173.98 2dj4 s THR 34 N -3.84 3.28 -0.34 -4.49 2.01 0.46 -2.57 115.64 110.15 2dj4 s THR 34 Ca 0.36 -0.60 -0.03 0.00 0.31 0.00 0.00 61.69 61.73 2dj4 s THR 34 Cb 0.04 -2.36 0.07 0.00 0.01 0.00 0.00 72.50 70.25 2dj4 s THR 34 CO 0.16 0.54 0.09 -0.69 -0.69 0.00 0.00 174.62 174.04 2dj4 s VAL 35 N -0.02 3.28 -0.67 3.82 1.01 -0.14 -1.07 120.40 126.61 2dj4 s VAL 35 Ca -0.02 -1.54 -0.22 0.00 0.00 0.00 0.00 61.98 60.20 2dj4 s VAL 35 Cb -0.14 -2.99 0.08 0.00 0.00 0.00 0.00 36.38 33.32 2dj4 s VAL 35 CO 0.04 -0.31 0.96 -0.62 0.00 0.00 0.00 175.10 175.16 2dj4 s ASP 36 N 1.48 6.20 -0.24 3.32 2.15 0.09 -0.87 116.67 128.79 2dj4 s ASP 36 Ca -0.00 -1.08 0.12 0.00 0.43 0.00 0.00 52.55 52.02 2dj4 s ASP 36 Cb -0.21 -2.41 0.50 0.00 -0.30 0.00 0.00 42.92 40.50 2dj4 s ASP 36 CO -0.01 -1.40 1.43 -1.54 -0.17 0.00 0.00 175.17 173.47 2dj4 n SER 37 N 7.58 2.87 -0.01 -0.34 3.41 -1.18 -1.66 113.62 124.28 2dj4 n SER 37 Ca -0.02 -3.50 -0.14 0.00 -0.26 0.00 0.00 58.87 54.94 2dj4 n SER 37 Cb 0.45 -0.59 -0.02 0.00 -0.26 0.00 0.00 64.21 63.79 2dj4 n SER 37 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2dj4 h SER 38 N 1.16 0.79 1.41 4.04 4.64 -1.80 -2.91 113.55 120.87 2dj4 h SER 38 Ca 0.14 -0.48 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 2dj4 h SER 38 Cb 1.54 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 2dj4 h SER 38 CO 0.31 1.25 0.00 0.11 -0.87 0.00 0.00 176.83 177.63 2dj4 h LYS 39 N 0.49 0.00 0.13 4.77 1.79 -1.82 -3.17 116.57 118.76 2dj4 h LYS 39 Ca -0.02 0.00 -0.29 0.00 -2.18 0.00 0.00 60.65 58.15 2dj4 h LYS 39 Cb 1.28 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.95 2dj4 h LYS 39 CO 0.14 0.00 -1.25 0.00 -1.08 0.00 0.00 179.45 177.25 2dj4 h ALA 40 N 2.24 0.03 0.00 3.86 0.00 -1.69 -3.44 119.26 120.27 2dj4 h ALA 40 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.11 2dj4 h ALA 40 Cb 0.70 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2dj4 h ALA 40 CO 0.00 0.76 0.00 0.41 0.00 0.00 0.00 179.25 180.42 2dj4 n GLY 41 N 1.41 0.43 0.25 0.00 0.00 -1.11 -0.26 105.19 105.91 2dj4 n GLY 41 Ca -0.12 -1.33 0.09 0.00 0.00 0.00 0.00 46.02 44.66 2dj4 n GLY 41 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2dj4 n LEU 42 N 0.00 2.65 -4.82 0.99 -0.00 -1.26 -4.63 117.00 109.93 2dj4 n LEU 42 Ca 0.00 -3.13 -0.33 0.00 -0.00 0.00 0.00 56.01 52.55 2dj4 n LEU 42 Cb 0.00 -0.46 -0.05 0.00 -0.00 0.00 0.00 43.42 42.91 2dj4 n LEU 42 CO 0.00 0.75 0.67 0.00 -0.00 0.00 0.00 177.39 178.81 2dj4 s ALA 43 N -2.90 3.01 0.93 1.47 0.00 -1.26 -5.05 121.76 117.96 2dj4 s ALA 43 Ca 0.34 0.36 -0.12 0.00 0.00 0.00 0.00 51.96 52.55 2dj4 s ALA 43 Cb 0.30 -3.16 0.15 0.00 0.00 0.00 0.00 23.12 20.41 2dj4 s ALA 43 CO 0.03 -0.08 1.09 -1.25 0.00 0.00 0.00 175.76 175.55 2dj4 s PRO 44 N -3.49 0.97 -0.04 0.00 0.04 -1.26 -4.83 135.00 126.39 2dj4 s PRO 44 Ca 0.62 0.72 0.05 0.00 0.04 0.00 0.00 61.00 62.42 2dj4 s PRO 44 Cb -0.11 -1.78 -0.00 0.00 0.04 0.00 0.00 34.50 32.65 2dj4 s PRO 44 CO 0.20 -2.41 -0.18 -1.17 0.04 0.00 0.00 177.00 173.48 2dj4 s LEU 45 N -6.30 1.94 -0.00 -3.56 2.96 -1.26 -2.94 118.68 109.50 2dj4 s LEU 45 Ca 0.64 -0.36 0.06 0.00 -0.22 0.00 0.00 54.13 54.25 2dj4 s LEU 45 Cb -0.18 -0.99 -0.03 0.00 0.50 0.00 0.00 46.19 45.50 2dj4 s LEU 45 CO 0.57 0.17 -0.18 -1.61 -1.32 0.00 0.00 176.35 173.98 2dj4 s GLU 46 N -0.03 2.24 0.01 1.98 2.02 -0.71 -4.96 118.70 119.25 2dj4 s GLU 46 Ca -0.03 -0.86 0.04 0.00 0.02 0.00 0.00 54.97 54.14 2dj4 s GLU 46 Cb -0.11 -2.23 -0.01 0.00 0.10 0.00 0.00 34.13 31.87 2dj4 s GLU 46 CO 0.02 0.58 -0.13 0.08 0.02 0.00 0.00 175.26 175.82 2dj4 s VAL 47 N -0.80 1.06 -0.09 2.63 1.01 -1.26 -1.30 120.40 121.66 2dj4 s VAL 47 Ca 0.13 -0.73 -0.11 0.00 0.00 0.00 0.00 61.98 61.26 2dj4 s VAL 47 Cb -0.10 -0.92 0.03 0.00 0.00 0.00 0.00 36.38 35.38 2dj4 s VAL 47 CO 0.02 0.18 0.29 -0.60 0.00 0.00 0.00 175.10 174.99 2dj4 s ARG 48 N -0.64 0.41 -0.07 2.72 3.52 0.96 -4.85 118.95 121.00 2dj4 s ARG 48 Ca 0.04 0.24 0.05 0.00 -0.13 0.00 0.00 55.73 55.93 2dj4 s ARG 48 Cb -0.06 0.19 -0.01 0.00 -1.56 0.00 0.00 34.95 33.52 2dj4 s ARG 48 CO 0.00 -0.07 -0.23 0.08 -0.81 0.00 0.00 175.30 174.27 2dj4 s VAL 49 N -0.22 1.93 -0.06 7.11 1.01 -1.26 0.58 120.40 129.49 2dj4 s VAL 49 Ca -0.03 -0.98 0.04 0.00 0.00 0.00 0.00 61.98 61.01 2dj4 s VAL 49 Cb -0.03 -1.65 0.00 0.00 0.00 0.00 0.00 36.38 34.70 2dj4 s VAL 49 CO 0.01 0.54 -0.18 -0.76 0.00 0.00 0.00 175.10 174.71 2dj4 s LEU 50 N 0.05 1.91 0.81 3.92 2.01 0.42 -3.42 118.68 124.38 2dj4 s LEU 50 Ca -0.09 -0.40 -0.12 0.00 0.01 0.00 0.00 54.13 53.54 2dj4 s LEU 50 Cb -0.15 -1.07 0.08 0.00 0.01 0.00 0.00 46.19 45.07 2dj4 s LEU 50 CO 0.05 0.14 1.18 -0.83 1.01 0.00 0.00 176.35 177.90 2dj4 s GLY 51 N 0.20 1.60 0.11 -3.19 0.00 0.74 -1.72 107.32 105.06 2dj4 s GLY 51 Ca -0.09 -0.67 -0.14 0.00 0.00 0.00 0.00 44.72 43.81 2dj4 s GLY 51 CO 0.04 -0.18 1.43 -0.56 0.00 0.00 0.00 173.10 173.83 2dj4 h PRO 52 N -1.07 0.73 0.11 2.90 0.13 -1.89 -3.27 132.00 129.65 2dj4 h PRO 52 Ca -0.46 -0.39 -0.29 0.00 -0.87 0.00 0.00 66.00 64.00 2dj4 h PRO 52 Cb 1.33 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.46 2dj4 h PRO 52 CO 0.65 1.01 -1.39 0.00 -0.23 0.00 0.00 178.00 178.04 2dj4 h ARG 53 N 0.49 0.23 0.00 0.86 -0.00 -1.94 -3.47 114.38 110.54 2dj4 h ARG 53 Ca 0.05 -0.40 0.00 0.00 -0.50 0.00 0.00 59.98 59.13 2dj4 h ARG 53 Cb 0.87 0.15 0.00 0.00 0.00 0.00 0.00 29.97 30.99 2dj4 h ARG 53 CO 0.07 1.13 0.00 0.41 0.00 0.00 0.00 179.97 181.58 2dj4 n GLY 54 N 1.59 0.08 3.86 0.04 0.00 -1.23 -5.15 105.19 104.37 2dj4 n GLY 54 Ca -0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 2dj4 n GLY 54 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2dj4 s LEU 55 N 0.00 4.31 -0.18 0.99 2.96 -1.26 -4.84 118.68 120.66 2dj4 s LEU 55 Ca 0.00 0.95 -0.04 0.00 -0.22 0.00 0.00 54.13 54.82 2dj4 s LEU 55 Cb 0.00 -3.25 -0.02 0.00 0.50 0.00 0.00 46.19 43.41 2dj4 s LEU 55 CO 0.00 0.09 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.40 2dj4 s VAL 56 N -1.51 3.72 0.00 1.68 1.01 -1.26 -0.18 120.40 123.86 2dj4 s VAL 56 Ca 0.38 -0.40 0.08 0.00 0.00 0.00 0.00 61.98 62.04 2dj4 s VAL 56 Cb -0.14 -2.66 -0.02 0.00 0.00 0.00 0.00 36.38 33.56 2dj4 s VAL 56 CO 0.19 0.46 -0.24 -1.61 0.00 0.00 0.00 175.10 173.90 2dj4 s GLU 57 N 0.83 2.06 1.05 2.72 8.01 -1.22 -5.04 118.70 127.12 2dj4 s GLU 57 Ca -0.01 -0.96 -0.14 0.00 0.01 0.00 0.00 54.97 53.88 2dj4 s GLU 57 Cb -0.14 -2.08 0.21 0.00 -4.31 0.00 0.00 34.13 27.81 2dj4 s GLU 57 CO 0.02 0.55 1.10 -1.25 0.01 0.00 0.00 175.26 175.69 2dj4 s PRO 58 N -0.90 0.02 0.15 0.39 0.04 -1.26 -4.03 135.00 129.40 2dj4 s PRO 58 Ca 0.11 0.37 -0.03 0.00 0.04 0.00 0.00 61.00 61.49 2dj4 s PRO 58 Cb -0.10 -1.70 -0.03 0.00 0.04 0.00 0.00 34.50 32.71 2dj4 s PRO 58 CO 0.01 -2.98 0.13 0.14 0.04 0.00 0.00 177.00 174.34 2dj4 s VAL 59 N -2.98 0.08 0.02 -0.36 -7.23 -1.26 -4.83 120.40 103.85 2dj4 s VAL 59 Ca 0.67 -1.77 0.07 0.00 -1.81 0.00 0.00 61.98 59.14 2dj4 s VAL 59 Cb -0.17 -2.03 -0.02 0.00 0.56 0.00 0.00 36.38 34.72 2dj4 s VAL 59 CO 0.57 -0.37 -0.21 0.21 -0.31 0.00 0.00 175.10 174.99 2dj4 s ASN 60 N -3.03 2.49 -0.10 4.85 2.47 -1.09 -5.00 114.94 115.52 2dj4 s ASN 60 Ca 0.23 -0.48 -0.01 0.00 0.42 0.00 0.00 52.86 53.02 2dj4 s ASN 60 Cb 0.06 -0.23 0.03 0.00 -1.45 0.00 0.00 41.25 39.66 2dj4 s ASN 60 CO 0.02 0.19 -0.02 0.54 -3.72 0.00 0.00 177.10 174.12 2dj4 s VAL 61 N -0.70 0.61 -0.07 -5.21 0.11 -1.26 -3.61 120.40 110.27 2dj4 s VAL 61 Ca 0.08 -0.11 -0.01 0.00 -2.93 0.00 0.00 61.98 59.01 2dj4 s VAL 61 Cb -0.09 -0.77 0.03 0.00 -1.53 0.00 0.00 36.38 34.02 2dj4 s VAL 61 CO 0.01 0.22 -0.01 -0.69 -3.33 0.00 0.00 175.10 171.30 2dj4 s VAL 62 N 1.87 0.45 0.21 2.04 1.01 -0.36 -4.99 120.40 120.63 2dj4 s VAL 62 Ca 0.04 0.05 -0.30 0.00 0.00 0.00 0.00 61.98 61.78 2dj4 s VAL 62 Cb -0.13 -0.57 -0.08 0.00 0.00 0.00 0.00 36.38 35.59 2dj4 s VAL 62 CO -0.06 0.26 1.10 -0.62 0.00 0.00 0.00 175.10 175.78 2dj4 s ASP 63 N 1.78 7.26 0.00 3.32 -1.08 -1.26 0.05 116.67 126.74 2dj4 s ASP 63 Ca 0.02 2.16 -0.17 0.00 -0.52 0.00 0.00 52.55 54.04 2dj4 s ASP 63 Cb -0.13 -2.61 -0.34 0.00 -1.46 0.00 0.00 42.92 38.38 2dj4 s ASP 63 CO -0.05 -0.20 0.94 0.78 0.52 0.00 0.00 175.17 177.17 2dj4 h ASN 64 N 4.68 0.75 0.00 -0.34 2.35 -1.69 -3.47 115.58 117.86 2dj4 h ASN 64 Ca -0.45 -0.93 0.00 0.00 -0.55 0.00 0.00 56.30 54.37 2dj4 h ASN 64 Cb 1.21 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 39.34 2dj4 h ASN 64 CO 0.71 1.66 0.00 0.61 -1.65 0.00 0.00 177.43 178.76 2dj4 n GLY 65 N 1.72 1.34 0.10 2.83 0.00 -1.26 -4.91 105.19 105.01 2dj4 n GLY 65 Ca -0.17 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.66 2dj4 n GLY 65 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2dj4 h ASP 66 N 1.28 0.21 0.00 1.61 2.03 -2.03 -3.47 116.42 116.05 2dj4 h ASP 66 Ca 0.00 -0.88 0.00 0.00 -0.73 0.00 0.00 57.03 55.42 2dj4 h ASP 66 Cb 0.00 -0.07 0.00 0.00 -0.83 0.00 0.00 39.33 38.43 2dj4 h ASP 66 CO 0.00 1.32 0.00 0.61 -1.03 0.00 0.00 179.24 180.14 2dj4 n GLY 67 N 1.63 0.00 3.38 7.15 0.00 -1.26 -5.04 105.19 111.05 2dj4 n GLY 67 Ca -0.18 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.68 2dj4 n GLY 67 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dj4 s THR 68 N 0.00 0.00 -0.10 2.61 -4.23 -1.26 -3.13 115.64 109.52 2dj4 s THR 68 Ca 0.00 -1.79 -0.05 0.00 -1.18 0.00 0.00 61.69 58.67 2dj4 s THR 68 Cb 0.00 -2.55 0.05 0.00 1.34 0.00 0.00 72.50 71.34 2dj4 s THR 68 CO 0.00 0.00 0.23 -1.00 -0.54 0.00 0.00 174.62 173.31 2dj4 s HIS 69 N -3.38 -0.32 0.07 3.99 0.09 -0.05 -1.66 115.29 114.03 2dj4 s HIS 69 Ca 0.35 0.78 -0.20 0.00 -0.00 0.00 0.00 55.06 55.98 2dj4 s HIS 69 Cb 0.02 -0.00 -0.07 0.00 -0.00 0.00 0.00 32.58 32.53 2dj4 s HIS 69 CO 0.22 -0.25 0.61 0.99 -0.00 0.00 0.00 174.74 176.30 2dj4 s THR 70 N 1.52 4.72 -0.22 1.30 2.01 0.11 -0.97 115.64 124.11 2dj4 s THR 70 Ca -0.07 1.30 -0.01 0.00 0.31 0.00 0.00 61.69 63.22 2dj4 s THR 70 Cb -0.11 -3.94 0.06 0.00 0.01 0.00 0.00 72.50 68.52 2dj4 s THR 70 CO -0.08 0.52 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.67 2dj4 s VAL 71 N -0.92 1.07 -0.07 3.82 1.01 -1.06 -1.22 120.40 123.02 2dj4 s VAL 71 Ca 0.30 -0.93 -0.10 0.00 0.00 0.00 0.00 61.98 61.26 2dj4 s VAL 71 Cb -0.20 -1.45 -0.05 0.00 0.00 0.00 0.00 36.38 34.68 2dj4 s VAL 71 CO 0.20 -0.16 0.23 0.42 0.00 0.00 0.00 175.10 175.79 2dj4 s THR 72 N 1.60 5.34 0.29 3.92 -4.23 -1.24 -2.86 115.64 118.47 2dj4 s THR 72 Ca -0.03 0.42 -0.20 0.00 -1.18 0.00 0.00 61.69 60.69 2dj4 s THR 72 Cb -0.18 -3.51 0.02 0.00 1.34 0.00 0.00 72.50 70.17 2dj4 s THR 72 CO -0.07 0.60 0.72 -0.72 -0.54 0.00 0.00 174.62 174.60 2dj4 s TYR 73 N -1.06 -0.15 -0.15 3.99 -0.85 0.84 -2.67 117.35 117.31 2dj4 s TYR 73 Ca 0.18 -0.33 -0.04 0.00 -0.52 0.00 0.00 57.07 56.37 2dj4 s TYR 73 Cb -0.14 0.70 0.08 0.00 0.38 0.00 0.00 41.96 42.98 2dj4 s TYR 73 CO 0.08 -1.26 0.24 0.99 -1.52 0.00 0.00 175.55 174.08 2dj4 s THR 74 N -3.80 -0.37 -0.82 -3.49 2.01 -1.26 -0.14 115.64 107.77 2dj4 s THR 74 Ca 0.12 0.14 -0.25 0.00 0.31 0.00 0.00 61.69 62.01 2dj4 s THR 74 Cb -0.06 -0.52 -0.04 0.00 0.01 0.00 0.00 72.50 71.89 2dj4 s THR 74 CO 0.07 0.00 1.92 -2.16 -0.69 0.00 0.00 174.62 173.77 2dj4 s PRO 75 N 2.38 2.57 0.21 4.92 0.04 -1.26 -4.85 135.00 139.01 2dj4 s PRO 75 Ca 0.04 -0.02 -0.09 0.00 0.04 0.00 0.00 61.00 60.97 2dj4 s PRO 75 Cb -0.13 -4.86 0.30 0.00 0.04 0.00 0.00 34.50 29.84 2dj4 s PRO 75 CO -0.10 -3.19 1.24 0.43 0.04 0.00 0.00 177.00 175.42 2dj4 n SER 76 N 13.63 -0.38 -4.29 6.66 7.64 -1.26 -0.57 113.62 135.05 2dj4 n SER 76 Ca 0.34 1.38 -0.15 0.00 1.01 0.00 0.00 58.87 61.45 2dj4 n SER 76 Cb 0.48 -0.38 -0.10 0.00 -1.01 0.00 0.00 64.21 63.21 2dj4 n SER 76 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dj4 s GLN 77 N -5.91 1.20 0.87 1.43 -2.07 -1.26 -3.91 119.66 110.01 2dj4 s GLN 77 Ca -0.12 -1.57 -0.12 0.00 -1.82 0.00 0.00 55.36 51.73 2dj4 s GLN 77 Cb 0.19 -0.58 0.11 0.00 -1.09 0.00 0.00 33.01 31.65 2dj4 s GLN 77 CO 0.60 -0.03 1.16 -1.83 -1.32 0.00 0.00 175.29 173.87 2dj4 s GLU 78 N -3.82 1.51 0.00 9.60 1.03 -1.26 -4.84 118.70 120.92 2dj4 s GLU 78 Ca 0.23 0.17 0.00 0.00 0.03 0.00 0.00 54.97 55.40 2dj4 s GLU 78 Cb 0.04 -1.89 0.00 0.00 -0.80 0.00 0.00 34.13 31.48 2dj4 s GLU 78 CO 0.05 -1.92 0.00 0.41 -1.33 0.00 0.00 175.26 172.47 2dj4 n GLY 79 N -2.81 2.32 3.57 -3.83 0.00 -1.04 -4.94 105.19 98.46 2dj4 n GLY 79 Ca 0.08 -2.04 -0.27 0.00 0.00 0.00 0.00 46.02 43.78 2dj4 n GLY 79 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dj4 s PRO 80 N -1.73 2.51 0.95 1.61 0.04 -1.26 -1.10 135.00 136.02 2dj4 s PRO 80 Ca 0.00 -0.81 -0.14 0.00 0.04 0.00 0.00 61.00 60.09 2dj4 s PRO 80 Cb 0.00 -5.17 0.17 0.00 0.04 0.00 0.00 34.50 29.54 2dj4 s PRO 80 CO 0.00 -3.75 1.20 0.71 0.04 0.00 0.00 177.00 175.19 2dj4 s TYR 81 N 10.70 2.01 -0.16 0.56 1.51 -0.00 -4.23 117.35 127.73 2dj4 s TYR 81 Ca 0.69 0.62 -0.04 0.00 -1.01 0.00 0.00 57.07 57.33 2dj4 s TYR 81 Cb -0.03 -3.64 0.08 0.00 -0.11 0.00 0.00 41.96 38.26 2dj4 s TYR 81 CO 0.08 -2.58 0.21 1.41 -1.11 0.00 0.00 175.55 173.56 2dj4 s MET 82 N -5.53 0.14 -0.59 -0.62 1.75 -0.70 -2.42 119.30 111.33 2dj4 s MET 82 Ca 0.68 0.39 -0.12 0.00 -1.25 0.00 0.00 55.69 55.39 2dj4 s MET 82 Cb -0.10 -0.77 0.15 0.00 2.84 0.00 0.00 34.83 36.95 2dj4 s MET 82 CO 0.53 -0.50 0.50 0.08 -0.65 0.00 0.00 175.02 174.98 2dj4 s VAL 83 N 2.33 4.82 0.23 10.11 1.01 -0.15 -0.44 120.40 138.31 2dj4 s VAL 83 Ca 0.05 -1.95 -0.30 0.00 0.00 0.00 0.00 61.98 59.78 2dj4 s VAL 83 Cb -0.14 -4.09 -0.09 0.00 0.00 0.00 0.00 36.38 32.06 2dj4 s VAL 83 CO -0.10 -0.87 0.93 -0.55 0.00 0.00 0.00 175.10 174.51 2dj4 s SER 84 N 2.69 7.63 -0.00 3.32 0.15 0.19 -1.47 113.70 126.22 2dj4 s SER 84 Ca 0.09 1.93 0.02 0.00 0.70 0.00 0.00 55.95 58.68 2dj4 s SER 84 Cb -0.23 -2.60 -0.01 0.00 -1.71 0.00 0.00 66.02 61.47 2dj4 s SER 84 CO -0.02 0.16 -0.05 -0.69 1.20 0.00 0.00 173.24 173.84 2dj4 s VAL 85 N -1.16 0.41 0.31 4.45 1.01 -1.26 -0.03 120.40 124.13 2dj4 s VAL 85 Ca 0.41 -0.27 0.04 0.00 0.00 0.00 0.00 61.98 62.16 2dj4 s VAL 85 Cb -0.26 -0.35 -0.06 0.00 0.00 0.00 0.00 36.38 35.71 2dj4 s VAL 85 CO 0.32 0.08 0.05 -0.75 0.00 0.00 0.00 175.10 174.80 2dj4 s LYS 86 N -0.21 1.60 -0.27 2.72 2.20 -0.42 -3.41 119.74 121.96 2dj4 s LYS 86 Ca 0.01 -1.87 -0.01 0.00 -0.36 0.00 0.00 55.97 53.74 2dj4 s LYS 86 Cb -0.02 -0.83 0.15 0.00 -1.51 0.00 0.00 37.83 35.62 2dj4 s LYS 86 CO -0.00 -0.17 0.44 -0.47 -0.36 0.00 0.00 175.35 174.79 2dj4 s TYR 87 N -3.32 -1.09 -1.07 4.03 5.04 -0.97 -1.73 117.35 118.24 2dj4 s TYR 87 Ca 0.35 0.96 -0.05 0.00 -2.44 0.00 0.00 57.07 55.89 2dj4 s TYR 87 Cb 0.08 0.13 0.01 0.00 0.35 0.00 0.00 41.96 42.52 2dj4 s TYR 87 CO 0.15 -0.82 0.93 0.00 -1.34 0.00 0.00 175.55 174.46 2dj4 n ALA 88 N 5.38 -1.25 -3.12 3.97 0.00 -1.15 -2.48 120.51 121.86 2dj4 n ALA 88 Ca -0.02 0.22 -0.20 0.00 0.00 0.00 0.00 53.44 53.44 2dj4 n ALA 88 Cb 0.50 -3.86 0.05 0.00 0.00 0.00 0.00 19.45 16.14 2dj4 n ALA 88 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2dj4 n ASP 89 N -2.36 -5.67 -3.41 0.00 8.00 -1.26 -4.99 116.55 106.86 2dj4 n ASP 89 Ca -0.07 -0.33 -0.16 0.00 0.71 0.00 0.00 54.79 54.95 2dj4 n ASP 89 Cb 0.58 -4.42 -0.10 0.00 -0.02 0.00 0.00 41.12 37.16 2dj4 n ASP 89 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2dj4 s GLU 90 N -5.77 0.29 -0.19 -1.24 2.02 -1.04 -5.11 118.70 107.67 2dj4 s GLU 90 Ca 0.36 0.11 -0.36 0.00 0.02 0.00 0.00 54.97 55.10 2dj4 s GLU 90 Cb -0.16 -0.78 -0.13 0.00 0.10 0.00 0.00 34.13 33.17 2dj4 s GLU 90 CO 0.44 -0.84 1.90 0.39 0.02 0.00 0.00 175.26 177.17 2dj4 n GLU 91 N 5.33 1.72 -1.38 1.61 1.02 -1.26 -2.28 120.64 125.40 2dj4 n GLU 91 Ca -0.03 0.61 -0.35 0.00 -0.02 0.00 0.00 57.16 57.36 2dj4 n GLU 91 Cb 0.48 -2.48 0.09 0.00 -0.02 0.00 0.00 31.44 29.51 2dj4 n GLU 91 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 2dj4 n ILE 92 N 5.37 3.07 0.97 -3.67 -5.35 -1.22 -4.84 119.36 113.69 2dj4 n ILE 92 Ca 0.27 -0.36 0.04 0.00 -0.27 0.00 0.00 62.75 62.43 2dj4 n ILE 92 Cb 0.24 -1.19 0.26 0.00 -1.74 0.00 0.00 39.64 37.21 2dj4 n ILE 92 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 2dj4 n PRO 93 N -2.14 0.48 -0.03 6.28 -0.04 -1.26 -1.72 135.00 136.58 2dj4 n PRO 93 Ca 0.14 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.62 2dj4 n PRO 93 Cb 0.49 -1.28 0.03 0.00 -0.04 0.00 0.00 33.50 32.70 2dj4 n PRO 93 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2dj4 n ARG 94 N -0.78 1.21 -4.37 0.54 1.74 -1.26 -5.02 116.66 108.72 2dj4 n ARG 94 Ca 0.07 -1.19 -0.27 0.00 -0.77 0.00 0.00 57.85 55.68 2dj4 n ARG 94 Cb 0.03 -1.08 -0.11 0.00 -1.02 0.00 0.00 32.46 30.28 2dj4 n ARG 94 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2dj4 s SER 95 N -0.65 3.74 1.22 0.55 0.15 -0.70 -4.23 113.70 113.78 2dj4 s SER 95 Ca 0.06 -0.74 -0.20 0.00 0.70 0.00 0.00 55.95 55.77 2dj4 s SER 95 Cb 0.04 -0.43 0.29 0.00 -1.71 0.00 0.00 66.02 64.21 2dj4 s SER 95 CO 0.05 0.12 1.11 -2.16 1.20 0.00 0.00 173.24 173.56 2dj4 s PRO 96 N -2.65 -1.35 -0.20 5.44 0.04 -1.26 -4.81 135.00 130.21 2dj4 s PRO 96 Ca 0.22 -0.11 -0.02 0.00 0.04 0.00 0.00 61.00 61.13 2dj4 s PRO 96 Cb -0.09 -1.58 0.00 0.00 0.04 0.00 0.00 34.50 32.87 2dj4 s PRO 96 CO 0.11 -3.79 -0.11 -0.06 0.04 0.00 0.00 177.00 173.19 2dj4 s PHE 97 N -3.01 2.88 -0.74 0.56 0.40 -0.54 -4.96 117.98 112.58 2dj4 s PHE 97 Ca 0.71 -1.26 -0.27 0.00 -0.60 0.00 0.00 56.93 55.51 2dj4 s PHE 97 Cb -0.09 -2.02 0.03 0.00 0.51 0.00 0.00 43.02 41.45 2dj4 s PHE 97 CO 0.56 -0.67 1.30 -1.59 0.70 0.00 0.00 175.22 175.52 2dj4 s LYS 98 N 1.39 3.17 -0.43 0.44 -2.85 -1.26 -0.97 119.74 119.23 2dj4 s LYS 98 Ca 0.05 -0.21 -0.08 0.00 -1.00 0.00 0.00 55.97 54.73 2dj4 s LYS 98 Cb -0.14 -4.19 0.10 0.00 -2.06 0.00 0.00 37.83 31.54 2dj4 s LYS 98 CO -0.08 -2.17 0.26 0.08 0.10 0.00 0.00 175.35 173.55 2dj4 s VAL 99 N 5.84 3.98 -0.75 1.79 1.01 -1.02 -5.01 120.40 126.25 2dj4 s VAL 99 Ca 0.36 -1.65 -0.25 0.00 0.00 0.00 0.00 61.98 60.44 2dj4 s VAL 99 Cb -0.08 -3.54 0.05 0.00 0.00 0.00 0.00 36.38 32.81 2dj4 s VAL 99 CO 0.15 -0.61 1.18 -0.75 0.00 0.00 0.00 175.10 175.07 2dj4 s LYS 100 N 1.34 3.22 0.43 2.72 2.20 -1.26 -0.82 119.74 127.57 2dj4 s LYS 100 Ca 0.04 -0.59 -0.24 0.00 -0.36 0.00 0.00 55.97 54.82 2dj4 s LYS 100 Cb -0.24 -4.34 -0.08 0.00 -1.51 0.00 0.00 37.83 31.66 2dj4 s LYS 100 CO -0.00 -2.02 1.16 0.08 -0.36 0.00 0.00 175.35 174.20 2dj4 s VAL 101 N 4.96 3.16 0.17 4.02 1.01 -0.26 -4.69 120.40 128.77 2dj4 s VAL 101 Ca 0.32 0.92 0.07 0.00 0.00 0.00 0.00 61.98 63.28 2dj4 s VAL 101 Cb -0.10 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 2dj4 s VAL 101 CO 0.10 0.03 0.01 -0.76 0.00 0.00 0.00 175.10 174.48 2dj4 s LEU 102 N -2.77 3.36 -0.01 3.92 1.43 0.63 -2.51 118.68 122.73 2dj4 s LEU 102 Ca 0.60 -0.36 -0.30 0.00 -1.03 0.00 0.00 54.13 53.04 2dj4 s LEU 102 Cb -0.29 -2.01 -0.06 0.00 0.03 0.00 0.00 46.19 43.86 2dj4 s LEU 102 CO 0.36 0.09 1.46 -2.16 0.23 0.00 0.00 176.35 176.33 2dj4 s PRO 103 N -2.90 4.26 0.38 1.29 0.04 -1.26 0.32 135.00 137.11 2dj4 s PRO 103 Ca 0.27 2.02 0.32 0.00 0.04 0.00 0.00 61.00 63.66 2dj4 s PRO 103 Cb -0.10 -3.64 1.21 0.00 0.04 0.00 0.00 34.50 32.02 2dj4 s PRO 103 CO 0.19 -0.64 1.16 2.41 0.04 0.00 0.00 177.00 180.16 2dj4 n THR 104 N 4.81 -0.08 -3.82 1.26 -1.04 -1.26 -4.27 114.28 109.88 2dj4 n THR 104 Ca 0.14 1.21 -0.22 0.00 -2.04 0.00 0.00 64.05 63.14 2dj4 n THR 104 Cb 0.43 -2.00 -0.05 0.00 -1.82 0.00 0.00 70.33 66.90 2dj4 n THR 104 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 2dj4 s TYR 105 N -4.57 2.72 0.15 -1.42 2.02 -1.26 -5.00 117.35 109.99 2dj4 s TYR 105 Ca -0.04 -0.46 0.11 0.00 -0.37 0.00 0.00 57.07 56.30 2dj4 s TYR 105 Cb 0.21 -1.97 -0.04 0.00 -0.40 0.00 0.00 41.96 39.76 2dj4 s TYR 105 CO 0.64 0.08 -0.25 0.34 -1.57 0.00 0.00 175.55 174.78 2dj4 s ASP 106 N -4.01 3.29 -1.30 2.29 2.15 -1.26 -5.06 116.67 112.78 2dj4 s ASP 106 Ca 0.44 -0.79 -0.17 0.00 0.43 0.00 0.00 52.55 52.45 2dj4 s ASP 106 Cb -0.02 -0.23 0.08 0.00 -0.30 0.00 0.00 42.92 42.46 2dj4 s ASP 106 CO 0.26 0.14 1.73 0.00 -0.17 0.00 0.00 175.17 177.13 2dj4 n ALA 107 N 0.67 3.70 0.00 3.66 0.00 -1.26 -5.20 120.51 122.08 2dj4 n ALA 107 Ca -0.16 -3.90 0.00 0.00 0.00 0.00 0.00 53.44 49.38 2dj4 n ALA 107 Cb 0.54 -3.53 0.00 0.00 0.00 0.00 0.00 19.45 16.46 2dj4 n ALA 107 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37