#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 -0.42 -0.26 1.61 0.15 -1.26 -5.11 113.70 108.41 2dj4 s SER 2 Ca 0.00 -0.19 -0.34 0.00 0.70 0.00 0.00 55.95 56.12 2dj4 s SER 2 Cb 0.00 0.58 -0.10 0.00 -1.71 0.00 0.00 66.02 64.78 2dj4 s SER 2 CO 0.00 -0.98 2.10 -0.24 1.20 0.00 0.00 173.24 175.31 2dj4 n SER 3 N -0.34 2.69 -4.23 5.45 2.88 -1.26 -4.75 113.62 114.06 2dj4 n SER 3 Ca -0.15 0.54 -0.60 0.00 -1.33 0.00 0.00 58.87 57.34 2dj4 n SER 3 Cb 0.64 -1.34 -0.11 0.00 -0.75 0.00 0.00 64.21 62.65 2dj4 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dj4 n GLY 4 N 5.74 -0.04 3.44 0.46 0.00 -1.26 -4.89 105.19 108.63 2dj4 n GLY 4 Ca 0.34 1.04 -0.37 0.00 0.00 0.00 0.00 46.02 47.03 2dj4 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dj4 s SER 5 N 4.85 5.18 -0.29 1.61 1.04 -1.26 -5.07 113.70 119.76 2dj4 s SER 5 Ca 1.11 -0.28 0.02 0.00 0.48 0.00 0.00 55.95 57.28 2dj4 s SER 5 Cb -1.44 -1.93 0.07 0.00 0.10 0.00 0.00 66.02 62.82 2dj4 s SER 5 CO 0.68 -0.06 -0.04 -0.55 0.98 0.00 0.00 173.24 174.25 2dj4 s SER 6 N 1.61 4.64 0.07 7.02 0.15 -1.26 -4.90 113.70 121.02 2dj4 s SER 6 Ca 0.06 -1.57 0.00 0.00 0.70 0.00 0.00 55.95 55.14 2dj4 s SER 6 Cb -0.15 -1.61 0.00 0.00 -1.71 0.00 0.00 66.02 62.55 2dj4 s SER 6 CO 0.04 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.83 2dj4 n GLY 7 N 4.44 -1.09 2.41 9.45 0.00 -1.26 -5.11 105.19 114.02 2dj4 n GLY 7 Ca -0.09 0.23 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 2dj4 n GLY 7 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2dj4 n VAL 8 N -2.66 0.80 -2.79 1.61 0.31 -1.26 -4.75 118.33 109.58 2dj4 n VAL 8 Ca 0.00 -0.20 -0.42 0.00 -0.01 0.00 0.00 64.34 63.71 2dj4 n VAL 8 Cb 0.00 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 2dj4 n VAL 8 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2dj4 s VAL 9 N -0.40 4.85 -0.33 2.52 1.01 -1.26 -4.77 120.40 122.01 2dj4 s VAL 9 Ca 0.53 1.85 0.02 0.00 0.00 0.00 0.00 61.98 64.37 2dj4 s VAL 9 Cb -0.75 -4.23 0.10 0.00 0.00 0.00 0.00 36.38 31.50 2dj4 s VAL 9 CO 0.39 0.04 0.08 -0.62 0.00 0.00 0.00 175.10 175.00 2dj4 s ASP 10 N 1.09 4.38 0.00 3.32 -1.08 0.48 -4.96 116.67 119.90 2dj4 s ASP 10 Ca 0.44 -1.95 0.15 0.00 -0.52 0.00 0.00 52.55 50.67 2dj4 s ASP 10 Cb -0.18 -1.25 0.90 0.00 -1.46 0.00 0.00 42.92 40.93 2dj4 s ASP 10 CO 0.16 -0.39 1.32 -0.81 0.52 0.00 0.00 175.17 175.97 2dj4 n PRO 11 N 4.48 0.49 -0.32 4.34 -0.04 -1.26 -2.13 135.00 140.56 2dj4 n PRO 11 Ca 0.01 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.59 2dj4 n PRO 11 Cb 0.42 -1.48 0.29 0.00 -0.04 0.00 0.00 33.50 32.69 2dj4 n PRO 11 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dj4 n SER 12 N -0.98 3.66 -0.06 3.54 3.41 -1.26 -4.00 113.62 117.93 2dj4 n SER 12 Ca 0.11 -1.99 0.03 0.00 -0.26 0.00 0.00 58.87 56.76 2dj4 n SER 12 Cb 0.05 -0.43 -0.02 0.00 -0.26 0.00 0.00 64.21 63.55 2dj4 n SER 12 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2dj4 n LYS 13 N 1.52 3.97 -2.90 4.33 4.76 -0.90 -4.95 118.16 123.99 2dj4 n LYS 13 Ca 0.23 -0.18 -0.41 0.00 -2.87 0.00 0.00 58.31 55.07 2dj4 n LYS 13 Cb 0.59 -0.86 -0.04 0.00 -1.84 0.00 0.00 35.03 32.88 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 -1.38 4.88 0.38 -0.18 0.11 -1.26 -4.32 120.40 118.64 2dj4 s VAL 14 Ca 0.03 1.62 0.08 0.00 -2.93 0.00 0.00 61.98 60.78 2dj4 s VAL 14 Cb 0.05 -4.13 -0.07 0.00 -1.53 0.00 0.00 36.38 30.70 2dj4 s VAL 14 CO 0.22 0.02 -0.03 -0.54 -3.33 0.00 0.00 175.10 171.45 2dj4 s LYS 15 N 2.17 1.91 -0.05 1.54 1.02 -0.43 -4.88 119.74 121.01 2dj4 s LYS 15 Ca 0.38 -2.02 -0.05 0.00 0.02 0.00 0.00 55.97 54.30 2dj4 s LYS 15 Cb -0.16 -1.69 0.01 0.00 -0.52 0.00 0.00 37.83 35.47 2dj4 s LYS 15 CO 0.12 0.03 0.15 0.96 -0.92 0.00 0.00 175.35 175.69 2dj4 s ILE 16 N -2.66 0.00 0.15 2.17 -4.36 -1.26 -0.15 121.20 115.09 2dj4 s ILE 16 Ca 0.34 -0.00 -0.04 0.00 -0.26 0.00 0.00 60.65 60.69 2dj4 s ILE 16 Cb 0.06 -0.21 -0.03 0.00 1.25 0.00 0.00 42.46 43.53 2dj4 s ILE 16 CO 0.18 -0.00 0.15 0.00 0.24 0.00 0.00 174.94 175.50 2dj4 s ALA 17 N 0.07 0.58 0.00 2.27 0.00 -0.37 -5.00 121.76 119.32 2dj4 s ALA 17 Ca -0.00 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 50.67 2dj4 s ALA 17 Cb -0.01 0.92 0.00 0.00 0.00 0.00 0.00 23.12 24.03 2dj4 s ALA 17 CO 0.00 -0.56 0.00 0.41 0.00 0.00 0.00 175.76 175.61 2dj4 n GLY 18 N -0.16 1.77 0.24 0.00 0.00 -1.26 -0.30 105.19 105.48 2dj4 n GLY 18 Ca -0.05 -1.99 -0.13 0.00 0.00 0.00 0.00 46.02 43.85 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 -1.24 1.61 0.13 -1.95 -2.50 132.00 128.86 2dj4 h PRO 19 Ca 0.00 -0.42 0.38 0.00 -0.87 0.00 0.00 66.00 65.08 2dj4 h PRO 19 Cb 0.00 0.01 -0.11 0.00 0.13 0.00 0.00 31.00 31.03 2dj4 h PRO 19 CO 0.00 1.06 0.81 0.78 -0.23 0.00 0.00 178.00 180.42 2dj4 h GLY 20 N 0.60 1.13 0.56 1.56 0.00 -1.86 0.39 103.07 105.44 2dj4 h GLY 20 Ca 0.06 -0.13 -0.21 0.00 0.00 0.00 0.00 47.33 47.04 2dj4 h GLY 20 CO 0.08 -0.27 -1.81 1.04 0.00 0.00 0.00 176.54 175.58 2dj4 n LEU 21 N -4.61 0.49 -4.32 3.11 4.77 -1.20 -4.91 117.00 110.34 2dj4 n LEU 21 Ca 0.33 0.22 -0.33 0.00 -0.03 0.00 0.00 56.01 56.19 2dj4 n LEU 21 Cb 1.25 0.20 0.13 0.00 -2.33 0.00 0.00 43.42 42.67 2dj4 n LEU 21 CO 0.25 0.25 -0.42 0.61 -1.33 0.00 0.00 177.39 176.74 2dj4 n GLY 22 N 1.49 -2.43 1.07 -0.72 0.00 0.14 -4.83 105.19 99.91 2dj4 n GLY 22 Ca -0.16 -0.74 -0.01 0.00 0.00 0.00 0.00 46.02 45.11 2dj4 n GLY 22 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dj4 n SER 23 N -0.89 2.71 -1.90 1.61 7.64 -1.26 -3.93 113.62 117.60 2dj4 n SER 23 Ca 0.04 -2.35 -0.15 0.00 1.01 0.00 0.00 58.87 57.41 2dj4 n SER 23 Cb 0.58 -0.57 0.05 0.00 -1.01 0.00 0.00 64.21 63.26 2dj4 n SER 23 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dj4 n GLY 24 N 0.14 5.33 3.84 0.23 0.00 -1.26 -5.00 105.19 108.45 2dj4 n GLY 24 Ca 0.12 -2.15 -0.36 0.00 0.00 0.00 0.00 46.02 43.63 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 -4.10 4.80 0.12 1.61 1.01 -1.25 -5.01 120.40 117.57 2dj4 s VAL 25 Ca 0.45 0.95 0.10 0.00 0.00 0.00 0.00 61.98 63.48 2dj4 s VAL 25 Cb 0.39 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 2dj4 s VAL 25 CO 0.00 0.27 -0.25 -0.13 0.00 0.00 0.00 175.10 175.00 2dj4 s ARG 26 N -1.86 1.32 0.57 2.72 0.52 -1.26 -0.58 118.95 120.38 2dj4 s ARG 26 Ca 0.38 -1.28 -0.19 0.00 -0.52 0.00 0.00 55.73 54.11 2dj4 s ARG 26 Cb -0.16 -1.74 -0.05 0.00 0.52 0.00 0.00 34.95 33.53 2dj4 s ARG 26 CO 0.19 0.41 1.16 0.00 0.02 0.00 0.00 175.30 177.08 2dj4 s ALA 27 N -1.08 2.63 -1.43 2.13 0.00 0.18 -3.06 121.76 121.13 2dj4 s ALA 27 Ca 0.12 0.89 -0.06 0.00 0.00 0.00 0.00 51.96 52.90 2dj4 s ALA 27 Cb -0.10 -3.39 0.03 0.00 0.00 0.00 0.00 23.12 19.66 2dj4 s ALA 27 CO 0.05 -0.93 0.51 0.54 0.00 0.00 0.00 175.76 175.93 2dj4 n ARG 28 N -1.44 -4.08 -4.40 0.00 1.74 0.10 -4.31 116.66 104.27 2dj4 n ARG 28 Ca 0.12 0.73 -0.22 0.00 -0.77 0.00 0.00 57.85 57.71 2dj4 n ARG 28 Cb 0.50 -5.51 -0.13 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 -3.05 1.41 -0.29 1.55 1.01 -1.17 -5.01 120.40 114.85 2dj4 s VAL 29 Ca 0.31 -1.22 -0.29 0.00 0.00 0.00 0.00 61.98 60.79 2dj4 s VAL 29 Cb -0.15 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 34.94 2dj4 s VAL 29 CO 0.39 0.02 1.75 -0.22 0.00 0.00 0.00 175.10 177.04 2dj4 s LEU 30 N -1.40 3.64 -0.14 3.92 2.96 -1.26 -4.16 118.68 122.24 2dj4 s LEU 30 Ca 0.04 1.44 0.01 0.00 -0.22 0.00 0.00 54.13 55.39 2dj4 s LEU 30 Cb -0.09 -3.53 -0.00 0.00 0.50 0.00 0.00 46.19 43.07 2dj4 s LEU 30 CO 0.02 -1.56 -0.16 -1.10 -1.32 0.00 0.00 176.35 172.23 2dj4 s GLN 31 N 5.33 3.21 -0.01 1.98 -1.52 0.14 -4.99 119.66 123.81 2dj4 s GLN 31 Ca 0.78 -0.76 -0.07 0.00 -1.95 0.00 0.00 55.36 53.36 2dj4 s GLN 31 Cb -0.24 -2.58 0.00 0.00 -0.22 0.00 0.00 33.01 29.98 2dj4 s GLN 31 CO 0.33 0.06 0.13 0.45 -0.25 0.00 0.00 175.29 176.01 2dj4 s SER 32 N 0.69 0.01 0.31 5.90 0.15 -1.26 0.49 113.70 119.99 2dj4 s SER 32 Ca -0.08 -0.14 0.05 0.00 0.70 0.00 0.00 55.95 56.48 2dj4 s SER 32 Cb -0.16 0.22 -0.03 0.00 -1.71 0.00 0.00 66.02 64.34 2dj4 s SER 32 CO 0.02 -0.32 0.27 0.72 1.20 0.00 0.00 173.24 175.13 2dj4 s PHE 33 N -1.17 1.59 -0.01 3.44 -0.71 -1.11 -2.95 117.98 117.07 2dj4 s PHE 33 Ca -0.13 -1.58 0.07 0.00 -1.04 0.00 0.00 56.93 54.26 2dj4 s PHE 33 Cb -0.07 -0.62 -0.02 0.00 -1.21 0.00 0.00 43.02 41.09 2dj4 s PHE 33 CO 0.01 -0.86 -0.23 0.99 -1.34 0.00 0.00 175.22 173.79 2dj4 s THR 34 N -3.53 2.36 -0.28 -4.49 2.01 0.59 -1.96 115.64 110.34 2dj4 s THR 34 Ca 0.39 -1.08 0.01 0.00 0.31 0.00 0.00 61.69 61.33 2dj4 s THR 34 Cb 0.03 -1.87 0.06 0.00 0.01 0.00 0.00 72.50 70.72 2dj4 s THR 34 CO 0.24 0.53 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.95 2dj4 s VAL 35 N -0.70 2.47 -0.67 3.82 1.01 0.97 -1.23 120.40 126.08 2dj4 s VAL 35 Ca 0.11 -1.59 -0.20 0.00 0.00 0.00 0.00 61.98 60.31 2dj4 s VAL 35 Cb -0.10 -2.46 0.10 0.00 0.00 0.00 0.00 36.38 33.92 2dj4 s VAL 35 CO 0.00 -0.09 0.84 -0.62 0.00 0.00 0.00 175.10 175.24 2dj4 s ASP 36 N 1.16 6.26 -0.19 3.32 2.15 0.79 -1.01 116.67 129.15 2dj4 s ASP 36 Ca -0.07 -1.44 0.16 0.00 0.43 0.00 0.00 52.55 51.63 2dj4 s ASP 36 Cb -0.20 -2.35 0.52 0.00 -0.30 0.00 0.00 42.92 40.59 2dj4 s ASP 36 CO -0.04 -1.18 1.42 -1.54 -0.17 0.00 0.00 175.17 173.66 2dj4 n SER 37 N 6.66 3.61 -0.02 -0.34 3.41 -1.21 -1.32 113.62 124.41 2dj4 n SER 37 Ca -0.02 -3.13 -0.04 0.00 -0.26 0.00 0.00 58.87 55.41 2dj4 n SER 37 Cb 0.44 -0.55 0.18 0.00 -0.26 0.00 0.00 64.21 64.02 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 1.58 0.57 1.52 4.04 4.64 -1.82 -2.35 113.55 121.73 2dj4 h SER 38 Ca 0.04 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 2dj4 h SER 38 Cb 1.47 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 2dj4 h SER 38 CO 0.24 0.78 0.00 0.11 -0.87 0.00 0.00 176.83 177.09 2dj4 h LYS 39 N 0.51 0.00 0.09 4.77 1.79 -1.81 -3.23 116.57 118.69 2dj4 h LYS 39 Ca 0.08 0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 58.27 2dj4 h LYS 39 Cb 0.64 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.31 2dj4 h LYS 39 CO 0.05 0.00 -1.19 0.00 -1.08 0.00 0.00 179.45 177.23 2dj4 h ALA 40 N 2.39 0.08 0.00 3.86 0.00 -1.59 -3.44 119.26 120.55 2dj4 h ALA 40 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.14 2dj4 h ALA 40 Cb 0.76 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2dj4 h ALA 40 CO 0.00 0.74 0.00 0.41 0.00 0.00 0.00 179.25 180.40 2dj4 n GLY 41 N 1.30 0.41 0.40 0.00 0.00 -1.09 -0.38 105.19 105.83 2dj4 n GLY 41 Ca -0.12 -1.35 0.07 0.00 0.00 0.00 0.00 46.02 44.62 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 2.83 -4.81 0.99 -0.00 -1.26 -4.68 117.00 110.08 2dj4 n LEU 42 Ca 0.00 -2.67 -0.33 0.00 -0.00 0.00 0.00 56.01 53.00 2dj4 n LEU 42 Cb 0.00 -0.35 -0.03 0.00 -0.00 0.00 0.00 43.42 43.05 2dj4 n LEU 42 CO 0.00 0.66 0.71 0.00 -0.00 0.00 0.00 177.39 178.76 2dj4 s ALA 43 N -2.18 2.87 1.00 1.47 0.00 -1.26 -5.04 121.76 118.62 2dj4 s ALA 43 Ca 0.27 0.49 -0.12 0.00 0.00 0.00 0.00 51.96 52.60 2dj4 s ALA 43 Cb 0.22 -3.22 0.19 0.00 0.00 0.00 0.00 23.12 20.30 2dj4 s ALA 43 CO 0.06 -0.39 1.09 -1.25 0.00 0.00 0.00 175.76 175.28 2dj4 s PRO 44 N -3.53 0.44 -0.04 0.00 0.04 -1.26 -4.84 135.00 125.81 2dj4 s PRO 44 Ca 0.65 0.53 0.04 0.00 0.04 0.00 0.00 61.00 62.26 2dj4 s PRO 44 Cb -0.15 -1.74 -0.00 0.00 0.04 0.00 0.00 34.50 32.65 2dj4 s PRO 44 CO 0.25 -2.73 -0.15 -1.17 0.04 0.00 0.00 177.00 173.24 2dj4 s LEU 45 N -6.46 1.89 0.06 -3.56 2.96 -1.26 -3.28 118.68 109.03 2dj4 s LEU 45 Ca 0.65 -0.32 0.09 0.00 -0.22 0.00 0.00 54.13 54.34 2dj4 s LEU 45 Cb -0.19 -0.88 -0.03 0.00 0.50 0.00 0.00 46.19 45.59 2dj4 s LEU 45 CO 0.58 0.13 -0.26 -1.61 -1.32 0.00 0.00 176.35 173.87 2dj4 s GLU 46 N 0.07 1.69 0.02 1.98 2.02 -0.63 -4.98 118.70 118.88 2dj4 s GLU 46 Ca -0.04 -1.14 0.01 0.00 0.02 0.00 0.00 54.97 53.83 2dj4 s GLU 46 Cb -0.11 -1.92 -0.01 0.00 0.10 0.00 0.00 34.13 32.19 2dj4 s GLU 46 CO 0.02 0.49 -0.05 0.08 0.02 0.00 0.00 175.26 175.82 2dj4 s VAL 47 N -0.85 0.33 -0.09 2.63 1.01 -1.26 -1.04 120.40 121.13 2dj4 s VAL 47 Ca 0.12 -0.66 -0.07 0.00 0.00 0.00 0.00 61.98 61.36 2dj4 s VAL 47 Cb -0.10 -0.37 0.03 0.00 0.00 0.00 0.00 36.38 35.93 2dj4 s VAL 47 CO 0.03 -0.22 0.23 -0.13 0.00 0.00 0.00 175.10 175.01 2dj4 s ARG 48 N -0.94 0.26 -0.13 2.72 1.81 0.19 -4.92 118.95 117.94 2dj4 s ARG 48 Ca -0.07 0.36 0.01 0.00 -1.72 0.00 0.00 55.73 54.30 2dj4 s ARG 48 Cb -0.06 0.08 -0.01 0.00 -0.45 0.00 0.00 34.95 34.51 2dj4 s ARG 48 CO -0.00 -0.06 -0.15 0.08 -0.68 0.00 0.00 175.30 174.49 2dj4 s VAL 49 N 0.33 2.83 -0.14 3.52 1.01 -1.26 0.72 120.40 127.41 2dj4 s VAL 49 Ca -0.02 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.23 2dj4 s VAL 49 Cb -0.03 -2.17 0.02 0.00 0.00 0.00 0.00 36.38 34.20 2dj4 s VAL 49 CO -0.01 0.53 -0.12 -0.76 0.00 0.00 0.00 175.10 174.74 2dj4 s LEU 50 N 0.43 1.56 1.42 3.92 2.01 0.63 -3.04 118.68 125.61 2dj4 s LEU 50 Ca -0.11 -0.46 -0.22 0.00 0.01 0.00 0.00 54.13 53.35 2dj4 s LEU 50 Cb -0.16 -1.07 0.36 0.00 0.01 0.00 0.00 46.19 45.33 2dj4 s LEU 50 CO 0.05 -0.09 0.93 -0.83 1.01 0.00 0.00 176.35 177.42 2dj4 s GLY 51 N 1.56 1.41 0.12 -3.19 0.00 0.68 -1.69 107.32 106.21 2dj4 s GLY 51 Ca 0.04 -0.74 -0.13 0.00 0.00 0.00 0.00 44.72 43.90 2dj4 s GLY 51 CO -0.10 0.25 1.45 -0.56 0.00 0.00 0.00 173.10 174.15 2dj4 h PRO 52 N -3.41 0.82 0.08 2.90 0.13 -1.90 -3.27 132.00 127.34 2dj4 h PRO 52 Ca -0.45 -0.43 -0.28 0.00 -0.87 0.00 0.00 66.00 63.97 2dj4 h PRO 52 Cb 1.34 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.47 2dj4 h PRO 52 CO 0.30 1.06 -1.43 0.00 -0.23 0.00 0.00 178.00 177.70 2dj4 h ARG 53 N 0.60 0.16 0.00 0.86 -0.00 -1.92 -3.48 114.38 110.61 2dj4 h ARG 53 Ca 0.06 -0.27 0.00 0.00 -0.50 0.00 0.00 59.98 59.26 2dj4 h ARG 53 Cb 0.91 0.10 0.00 0.00 0.00 0.00 0.00 29.97 30.98 2dj4 h ARG 53 CO 0.08 1.00 0.00 0.41 0.00 0.00 0.00 179.97 181.46 2dj4 n GLY 54 N 1.58 0.00 3.88 0.04 0.00 -1.23 -5.16 105.19 104.29 2dj4 n GLY 54 Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 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 3.76 -0.26 0.99 2.96 -1.26 -4.78 118.68 120.09 2dj4 s LEU 55 Ca 0.00 1.16 0.02 0.00 -0.22 0.00 0.00 54.13 55.09 2dj4 s LEU 55 Cb 0.00 -4.06 0.05 0.00 0.50 0.00 0.00 46.19 42.68 2dj4 s LEU 55 CO 0.00 -0.46 -0.11 -0.69 -1.32 0.00 0.00 176.35 173.77 2dj4 s VAL 56 N -2.48 2.26 -0.04 1.68 1.01 -1.26 -0.23 120.40 121.34 2dj4 s VAL 56 Ca 0.52 -1.53 -0.01 0.00 0.00 0.00 0.00 61.98 60.96 2dj4 s VAL 56 Cb -0.10 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 2dj4 s VAL 56 CO 0.34 0.02 0.03 -1.61 0.00 0.00 0.00 175.10 173.89 2dj4 s GLU 57 N 1.14 2.96 1.04 2.72 0.41 -1.17 -5.04 118.70 120.76 2dj4 s GLU 57 Ca -0.07 -0.48 -0.13 0.00 -0.41 0.00 0.00 54.97 53.87 2dj4 s GLU 57 Cb -0.19 -2.79 0.21 0.00 -1.78 0.00 0.00 34.13 29.57 2dj4 s GLU 57 CO -0.05 0.66 1.09 -1.25 -0.49 0.00 0.00 175.26 175.23 2dj4 s PRO 58 N -1.36 0.11 0.09 0.39 0.04 -1.26 -4.06 135.00 128.95 2dj4 s PRO 58 Ca 0.18 0.41 -0.01 0.00 0.04 0.00 0.00 61.00 61.63 2dj4 s PRO 58 Cb -0.12 -1.71 -0.04 0.00 0.04 0.00 0.00 34.50 32.67 2dj4 s PRO 58 CO 0.08 -2.92 0.02 0.14 0.04 0.00 0.00 177.00 174.36 2dj4 s VAL 59 N -2.97 0.16 0.03 -0.36 -7.23 -1.26 -4.88 120.40 103.88 2dj4 s VAL 59 Ca 0.66 -1.86 0.08 0.00 -1.81 0.00 0.00 61.98 59.05 2dj4 s VAL 59 Cb -0.18 -1.80 -0.03 0.00 0.56 0.00 0.00 36.38 34.94 2dj4 s VAL 59 CO 0.58 -0.72 -0.24 0.21 -0.31 0.00 0.00 175.10 174.62 2dj4 s ASN 60 N -2.99 3.33 -0.15 4.85 2.47 -1.19 -5.01 114.94 116.25 2dj4 s ASN 60 Ca 0.16 -0.52 -0.01 0.00 0.42 0.00 0.00 52.86 52.92 2dj4 s ASN 60 Cb 0.08 -0.39 0.04 0.00 -1.45 0.00 0.00 41.25 39.52 2dj4 s ASN 60 CO -0.04 0.27 -0.05 -0.69 -3.72 0.00 0.00 177.10 172.87 2dj4 s VAL 61 N -0.80 1.05 -0.18 -5.21 1.01 -1.26 -3.97 120.40 111.04 2dj4 s VAL 61 Ca 0.12 -0.53 -0.03 0.00 0.00 0.00 0.00 61.98 61.54 2dj4 s VAL 61 Cb -0.10 -1.20 0.06 0.00 0.00 0.00 0.00 36.38 35.13 2dj4 s VAL 61 CO 0.02 0.18 0.04 0.68 0.00 0.00 0.00 175.10 176.02 2dj4 s VAL 62 N 1.67 0.47 0.06 2.92 -7.23 -0.92 -5.01 120.40 112.37 2dj4 s VAL 62 Ca 0.02 -0.48 -0.31 0.00 -1.81 0.00 0.00 61.98 59.40 2dj4 s VAL 62 Cb -0.15 -0.97 -0.06 0.00 0.56 0.00 0.00 36.38 35.77 2dj4 s VAL 62 CO -0.08 -0.18 1.29 -0.62 -0.31 0.00 0.00 175.10 175.20 2dj4 s ASP 63 N 1.88 6.96 0.03 4.85 2.15 -1.26 -1.45 116.67 129.84 2dj4 s ASP 63 Ca -0.00 2.12 -0.19 0.00 0.43 0.00 0.00 52.55 54.90 2dj4 s ASP 63 Cb -0.17 -2.58 -0.18 0.00 -0.30 0.00 0.00 42.92 39.70 2dj4 s ASP 63 CO -0.08 -0.57 1.24 0.78 -0.17 0.00 0.00 175.17 176.37 2dj4 h ASN 64 N 6.98 0.51 0.00 -0.34 2.35 -1.82 -3.48 115.58 119.78 2dj4 h ASN 64 Ca -0.41 -0.62 0.00 0.00 -0.55 0.00 0.00 56.30 54.73 2dj4 h ASN 64 Cb 1.20 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.43 2dj4 h ASN 64 CO 0.84 1.04 0.00 0.61 -1.65 0.00 0.00 177.43 178.27 2dj4 n GLY 65 N 0.61 1.80 0.11 2.83 0.00 -1.26 -4.94 105.19 104.34 2dj4 n GLY 65 Ca -0.08 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.74 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 0.69 0.21 0.00 1.61 2.03 -2.03 -3.47 116.42 115.47 2dj4 h ASP 66 Ca 0.00 -0.79 0.00 0.00 -0.73 0.00 0.00 57.03 55.51 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 1.47 0.00 0.61 -1.03 0.00 0.00 179.24 180.29 2dj4 n GLY 67 N 1.64 0.00 3.43 7.15 0.00 -1.26 -5.04 105.19 111.10 2dj4 n GLY 67 Ca -0.24 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.12 2.61 -4.23 -1.26 -3.28 115.64 109.36 2dj4 s THR 68 Ca 0.00 -1.71 -0.07 0.00 -1.18 0.00 0.00 61.69 58.74 2dj4 s THR 68 Cb 0.00 -2.58 0.05 0.00 1.34 0.00 0.00 72.50 71.31 2dj4 s THR 68 CO 0.00 0.00 0.29 -1.00 -0.54 0.00 0.00 174.62 173.37 2dj4 s HIS 69 N -3.26 -0.39 -0.06 3.99 0.09 -0.18 -2.15 115.29 113.34 2dj4 s HIS 69 Ca 0.33 0.89 -0.14 0.00 -0.00 0.00 0.00 55.06 56.15 2dj4 s HIS 69 Cb 0.01 0.10 -0.05 0.00 -0.00 0.00 0.00 32.58 32.64 2dj4 s HIS 69 CO 0.21 -0.25 0.35 0.99 -0.00 0.00 0.00 174.74 176.04 2dj4 s THR 70 N 1.14 5.17 -0.25 1.30 2.01 -0.53 -0.02 115.64 124.45 2dj4 s THR 70 Ca -0.08 0.69 0.00 0.00 0.31 0.00 0.00 61.69 62.62 2dj4 s THR 70 Cb -0.09 -3.65 0.07 0.00 0.01 0.00 0.00 72.50 68.84 2dj4 s THR 70 CO -0.08 0.53 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.68 2dj4 s VAL 71 N -0.67 1.40 0.03 3.82 1.01 -0.83 -2.16 120.40 123.00 2dj4 s VAL 71 Ca 0.21 -1.30 -0.15 0.00 0.00 0.00 0.00 61.98 60.75 2dj4 s VAL 71 Cb -0.15 -1.79 -0.06 0.00 0.00 0.00 0.00 36.38 34.38 2dj4 s VAL 71 CO 0.10 -0.26 0.44 0.42 0.00 0.00 0.00 175.10 175.80 2dj4 s THR 72 N 1.43 4.99 0.09 3.92 -4.23 -1.25 -2.74 115.64 117.84 2dj4 s THR 72 Ca -0.01 0.83 -0.26 0.00 -1.18 0.00 0.00 61.69 61.08 2dj4 s THR 72 Cb -0.18 -3.73 0.08 0.00 1.34 0.00 0.00 72.50 70.01 2dj4 s THR 72 CO -0.10 0.51 0.77 -0.72 -0.54 0.00 0.00 174.62 174.55 2dj4 s TYR 73 N -1.16 -0.39 -0.09 3.99 -0.85 0.18 -3.15 117.35 115.88 2dj4 s TYR 73 Ca 0.27 0.19 -0.02 0.00 -0.52 0.00 0.00 57.07 56.98 2dj4 s TYR 73 Cb -0.17 0.57 0.04 0.00 0.38 0.00 0.00 41.96 42.78 2dj4 s TYR 73 CO 0.15 -0.73 0.04 0.99 -1.52 0.00 0.00 175.55 174.48 2dj4 s THR 74 N -3.43 0.18 -0.77 -3.49 2.01 -1.26 0.26 115.64 109.15 2dj4 s THR 74 Ca 0.05 0.08 -0.25 0.00 0.31 0.00 0.00 61.69 61.87 2dj4 s THR 74 Cb -0.01 -0.49 -0.04 0.00 0.01 0.00 0.00 72.50 71.97 2dj4 s THR 74 CO -0.08 0.09 1.91 -2.16 -0.69 0.00 0.00 174.62 173.69 2dj4 s PRO 75 N 2.04 2.59 0.18 4.92 0.04 -1.26 -4.86 135.00 138.64 2dj4 s PRO 75 Ca 0.04 0.12 -0.15 0.00 0.04 0.00 0.00 61.00 61.05 2dj4 s PRO 75 Cb -0.13 -4.75 0.16 0.00 0.04 0.00 0.00 34.50 29.81 2dj4 s PRO 75 CO -0.05 -3.09 1.23 0.45 0.04 0.00 0.00 177.00 175.58 2dj4 n SER 76 N 13.43 -0.56 -4.50 6.66 2.88 -1.26 -0.72 113.62 129.55 2dj4 n SER 76 Ca 0.31 1.39 -0.23 0.00 -1.33 0.00 0.00 58.87 59.01 2dj4 n SER 76 Cb 0.49 -0.30 -0.11 0.00 -0.75 0.00 0.00 64.21 63.55 2dj4 n SER 76 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dj4 s GLN 77 N -5.71 1.73 0.77 -1.46 -2.07 -1.26 -3.75 119.66 107.91 2dj4 s GLN 77 Ca -0.11 -1.95 -0.08 0.00 -1.82 0.00 0.00 55.36 51.41 2dj4 s GLN 77 Cb 0.15 -1.16 0.11 0.00 -1.09 0.00 0.00 33.01 31.02 2dj4 s GLN 77 CO 0.56 -0.10 1.09 -1.83 -1.32 0.00 0.00 175.29 173.69 2dj4 s GLU 78 N -3.80 1.69 0.00 9.60 4.04 -1.26 -4.79 118.70 124.17 2dj4 s GLU 78 Ca 0.35 -0.47 0.00 0.00 0.04 0.00 0.00 54.97 54.89 2dj4 s GLU 78 Cb 0.08 -2.12 0.00 0.00 0.02 0.00 0.00 34.13 32.11 2dj4 s GLU 78 CO 0.16 -1.59 0.00 0.41 -1.84 0.00 0.00 175.26 172.40 2dj4 n GLY 79 N -3.12 1.75 3.56 -3.83 0.00 -0.97 -4.89 105.19 97.69 2dj4 n GLY 79 Ca 0.11 -2.14 -0.27 0.00 0.00 0.00 0.00 46.02 43.72 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 -1.46 2.56 0.78 1.61 0.04 -1.26 -0.43 135.00 136.84 2dj4 s PRO 80 Ca 0.00 -0.28 -0.11 0.00 0.04 0.00 0.00 61.00 60.65 2dj4 s PRO 80 Cb 0.00 -5.05 0.07 0.00 0.04 0.00 0.00 34.50 29.56 2dj4 s PRO 80 CO 0.00 -3.37 1.14 0.71 0.04 0.00 0.00 177.00 175.53 2dj4 s TYR 81 N 10.06 2.96 -0.15 0.56 1.51 0.12 -3.80 117.35 128.60 2dj4 s TYR 81 Ca 0.70 0.70 -0.04 0.00 -1.01 0.00 0.00 57.07 57.42 2dj4 s TYR 81 Cb -0.07 -3.42 0.07 0.00 -0.11 0.00 0.00 41.96 38.43 2dj4 s TYR 81 CO -0.01 -1.68 0.22 1.41 -1.11 0.00 0.00 175.55 174.38 2dj4 s MET 82 N -5.51 0.14 -0.54 -0.62 1.75 -0.68 -2.27 119.30 111.58 2dj4 s MET 82 Ca 0.61 0.47 -0.08 0.00 -1.25 0.00 0.00 55.69 55.45 2dj4 s MET 82 Cb -0.11 -0.59 0.14 0.00 2.84 0.00 0.00 34.83 37.11 2dj4 s MET 82 CO 0.48 -0.45 0.40 0.08 -0.65 0.00 0.00 175.02 174.88 2dj4 s VAL 83 N 2.35 4.21 0.30 10.11 1.01 -0.21 -0.27 120.40 137.89 2dj4 s VAL 83 Ca 0.04 -2.10 -0.27 0.00 0.00 0.00 0.00 61.98 59.65 2dj4 s VAL 83 Cb -0.14 -3.75 -0.10 0.00 0.00 0.00 0.00 36.38 32.40 2dj4 s VAL 83 CO -0.09 -0.82 0.95 -0.55 0.00 0.00 0.00 175.10 174.59 2dj4 s SER 84 N 2.19 7.43 0.00 3.32 0.15 0.22 -1.59 113.70 125.43 2dj4 s SER 84 Ca 0.09 1.88 0.01 0.00 0.70 0.00 0.00 55.95 58.64 2dj4 s SER 84 Cb -0.23 -2.59 -0.01 0.00 -1.71 0.00 0.00 66.02 61.48 2dj4 s SER 84 CO -0.02 -0.00 -0.03 -0.69 1.20 0.00 0.00 173.24 173.69 2dj4 s VAL 85 N -1.47 0.22 0.27 4.45 1.01 -1.26 0.57 120.40 124.20 2dj4 s VAL 85 Ca 0.47 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 62.20 2dj4 s VAL 85 Cb -0.21 -0.23 -0.06 0.00 0.00 0.00 0.00 36.38 35.88 2dj4 s VAL 85 CO 0.27 -0.04 0.04 -0.75 0.00 0.00 0.00 175.10 174.61 2dj4 s LYS 86 N -0.35 1.48 -0.24 2.72 2.20 -0.21 -3.47 119.74 121.86 2dj4 s LYS 86 Ca -0.02 -1.78 -0.06 0.00 -0.36 0.00 0.00 55.97 53.75 2dj4 s LYS 86 Cb -0.03 -0.66 0.12 0.00 -1.51 0.00 0.00 37.83 35.76 2dj4 s LYS 86 CO -0.00 -0.16 0.48 -0.47 -0.36 0.00 0.00 175.35 174.83 2dj4 s TYR 87 N -3.43 -1.03 -1.63 4.03 5.04 -1.03 -1.60 117.35 117.71 2dj4 s TYR 87 Ca 0.33 1.54 -0.03 0.00 -2.44 0.00 0.00 57.07 56.47 2dj4 s TYR 87 Cb 0.07 0.37 0.01 0.00 0.35 0.00 0.00 41.96 42.76 2dj4 s TYR 87 CO 0.12 -0.64 0.38 0.00 -1.34 0.00 0.00 175.55 174.08 2dj4 n ALA 88 N 5.40 -0.85 -2.46 3.97 0.00 -1.21 -1.47 120.51 123.90 2dj4 n ALA 88 Ca -0.07 0.24 -0.10 0.00 0.00 0.00 0.00 53.44 53.51 2dj4 n ALA 88 Cb 0.50 -3.24 0.01 0.00 0.00 0.00 0.00 19.45 16.72 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 -2.33 -3.49 -3.48 0.00 8.00 -1.26 -5.01 116.55 108.97 2dj4 n ASP 89 Ca -0.16 -0.09 -0.20 0.00 0.71 0.00 0.00 54.79 55.05 2dj4 n ASP 89 Cb 0.64 -2.51 -0.13 0.00 -0.02 0.00 0.00 41.12 39.11 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 -4.86 0.22 -0.31 -1.24 2.02 -0.54 -5.10 118.70 108.89 2dj4 s GLU 90 Ca 0.09 -0.05 -0.37 0.00 0.02 0.00 0.00 54.97 54.66 2dj4 s GLU 90 Cb -0.04 -1.09 -0.13 0.00 0.10 0.00 0.00 34.13 32.97 2dj4 s GLU 90 CO 0.11 -0.83 2.02 0.39 0.02 0.00 0.00 175.26 176.98 2dj4 n GLU 91 N 5.30 1.17 -1.30 1.61 1.02 -1.26 -2.46 120.64 124.71 2dj4 n GLU 91 Ca -0.05 0.37 -0.36 0.00 -0.02 0.00 0.00 57.16 57.11 2dj4 n GLU 91 Cb 0.47 -2.33 0.08 0.00 -0.02 0.00 0.00 31.44 29.65 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 6.16 2.36 0.97 -3.67 -5.35 -1.23 -4.83 119.36 113.77 2dj4 n ILE 92 Ca 0.35 -0.37 0.04 0.00 -0.27 0.00 0.00 62.75 62.51 2dj4 n ILE 92 Cb 0.19 -0.96 0.26 0.00 -1.74 0.00 0.00 39.64 37.39 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 -1.50 0.48 -0.00 6.28 -0.04 -1.26 -1.70 135.00 137.27 2dj4 n PRO 93 Ca 0.12 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.61 2dj4 n PRO 93 Cb 0.50 -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 0.00 -4.31 0.54 1.74 -1.26 -5.01 116.66 107.57 2dj4 n ARG 94 Ca 0.07 -0.92 -0.27 0.00 -0.77 0.00 0.00 57.85 55.95 2dj4 n ARG 94 Cb 0.03 -1.13 -0.10 0.00 -1.02 0.00 0.00 32.46 30.24 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 -0.56 4.04 1.21 0.55 0.15 -0.69 -4.22 113.70 114.18 2dj4 s SER 95 Ca 0.08 -0.62 -0.19 0.00 0.70 0.00 0.00 55.95 55.91 2dj4 s SER 95 Cb 0.06 -0.61 0.29 0.00 -1.71 0.00 0.00 66.02 64.05 2dj4 s SER 95 CO 0.08 0.12 1.11 -2.16 1.20 0.00 0.00 173.24 173.60 2dj4 s PRO 96 N -2.65 -1.28 -0.22 5.44 0.04 -1.26 -4.80 135.00 130.28 2dj4 s PRO 96 Ca 0.23 -0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.19 2dj4 s PRO 96 Cb -0.09 -1.59 0.03 0.00 0.04 0.00 0.00 34.50 32.89 2dj4 s PRO 96 CO 0.13 -3.75 -0.13 -0.06 0.04 0.00 0.00 177.00 173.24 2dj4 s PHE 97 N -3.00 2.98 -0.50 0.56 0.08 -0.62 -4.96 117.98 112.51 2dj4 s PHE 97 Ca 0.71 -1.70 -0.28 0.00 0.12 0.00 0.00 56.93 55.78 2dj4 s PHE 97 Cb -0.09 -1.98 0.03 0.00 -0.57 0.00 0.00 43.02 40.41 2dj4 s PHE 97 CO 0.56 -0.78 1.09 -1.59 -0.10 0.00 0.00 175.22 174.40 2dj4 s LYS 98 N 1.28 3.60 -0.31 0.44 -2.85 -1.26 -1.05 119.74 119.59 2dj4 s LYS 98 Ca 0.01 0.33 0.04 0.00 -1.00 0.00 0.00 55.97 55.35 2dj4 s LYS 98 Cb -0.16 -3.95 0.08 0.00 -2.06 0.00 0.00 37.83 31.75 2dj4 s LYS 98 CO -0.08 -1.43 -0.02 0.08 0.10 0.00 0.00 175.35 174.01 2dj4 s VAL 99 N 4.38 2.23 -0.65 1.79 1.01 -0.96 -5.02 120.40 123.18 2dj4 s VAL 99 Ca 0.43 -2.05 -0.27 0.00 0.00 0.00 0.00 61.98 60.09 2dj4 s VAL 99 Cb -0.08 -2.52 0.03 0.00 0.00 0.00 0.00 36.38 33.81 2dj4 s VAL 99 CO 0.28 -0.36 1.18 -0.75 0.00 0.00 0.00 175.10 175.45 2dj4 s LYS 100 N 0.98 3.32 0.41 2.72 2.20 -1.26 -0.70 119.74 127.41 2dj4 s LYS 100 Ca 0.03 -0.10 -0.25 0.00 -0.36 0.00 0.00 55.97 55.29 2dj4 s LYS 100 Cb -0.19 -4.11 -0.08 0.00 -1.51 0.00 0.00 37.83 31.94 2dj4 s LYS 100 CO -0.07 -1.87 1.15 0.08 -0.36 0.00 0.00 175.35 174.28 2dj4 s VAL 101 N 5.11 3.25 0.17 4.02 1.01 0.42 -4.64 120.40 129.74 2dj4 s VAL 101 Ca 0.37 1.02 0.08 0.00 0.00 0.00 0.00 61.98 63.44 2dj4 s VAL 101 Cb -0.09 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 2dj4 s VAL 101 CO 0.19 0.07 -0.03 -0.76 0.00 0.00 0.00 175.10 174.57 2dj4 s LEU 102 N -2.57 3.21 -0.01 3.92 1.43 0.26 -2.29 118.68 122.63 2dj4 s LEU 102 Ca 0.58 -0.45 -0.30 0.00 -1.03 0.00 0.00 54.13 52.93 2dj4 s LEU 102 Cb -0.29 -1.88 -0.05 0.00 0.03 0.00 0.00 46.19 44.00 2dj4 s LEU 102 CO 0.36 0.09 1.46 -2.16 0.23 0.00 0.00 176.35 176.34 2dj4 s PRO 103 N -2.90 4.25 0.35 1.29 0.04 -1.26 0.49 135.00 137.26 2dj4 s PRO 103 Ca 0.27 2.02 0.29 0.00 0.04 0.00 0.00 61.00 63.62 2dj4 s PRO 103 Cb -0.09 -3.66 1.14 0.00 0.04 0.00 0.00 34.50 31.93 2dj4 s PRO 103 CO 0.18 -0.65 1.11 2.41 0.04 0.00 0.00 177.00 180.08 2dj4 n THR 104 N 4.87 -0.10 -3.44 1.26 -1.04 -1.26 -3.89 114.28 110.68 2dj4 n THR 104 Ca 0.14 1.19 -0.38 0.00 -2.04 0.00 0.00 64.05 62.96 2dj4 n THR 104 Cb 0.43 -1.96 -0.07 0.00 -1.82 0.00 0.00 70.33 66.91 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 3.40 -0.24 -1.42 1.51 -1.26 -5.00 117.35 109.77 2dj4 s TYR 105 Ca -0.04 0.59 -0.18 0.00 -1.01 0.00 0.00 57.07 56.43 2dj4 s TYR 105 Cb 0.21 -2.46 -0.03 0.00 -0.11 0.00 0.00 41.96 39.57 2dj4 s TYR 105 CO 0.61 0.06 0.52 0.34 -1.11 0.00 0.00 175.55 175.97 2dj4 s ASP 106 N 0.89 6.48 -1.12 2.29 2.15 -1.25 -4.98 116.67 121.13 2dj4 s ASP 106 Ca 0.18 0.58 -0.24 0.00 0.43 0.00 0.00 52.55 53.50 2dj4 s ASP 106 Cb -0.14 -2.29 -0.11 0.00 -0.30 0.00 0.00 42.92 40.09 2dj4 s ASP 106 CO 0.07 -0.25 1.98 0.00 -0.17 0.00 0.00 175.17 176.80 2dj4 s ALA 107 N 2.07 1.53 -2.00 3.66 0.00 -1.26 -5.20 121.76 120.57 2dj4 s ALA 107 Ca 0.22 -1.92 0.10 0.00 0.00 0.00 0.00 51.96 50.37 2dj4 s ALA 107 Cb -0.16 -4.66 0.63 0.00 0.00 0.00 0.00 23.12 18.93 2dj4 s ALA 107 CO 0.09 -5.47 1.07 0.43 0.00 0.00 0.00 175.76 171.87