#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dj4 n SER 2 N 0.00 -4.09 -4.16 1.61 2.88 -1.26 -4.90 113.62 103.71 2dj4 n SER 2 Ca 0.00 -0.78 -0.35 0.00 -1.33 0.00 0.00 58.87 56.41 2dj4 n SER 2 Cb 0.00 -3.96 0.08 0.00 -0.75 0.00 0.00 64.21 59.58 2dj4 n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dj4 n SER 3 N -2.89 -3.69 0.00 -3.46 2.88 -1.26 -5.00 113.62 100.20 2dj4 n SER 3 Ca -0.03 0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 2dj4 n SER 3 Cb 0.56 -0.86 0.00 0.00 -0.75 0.00 0.00 64.21 63.16 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 2.71 2.29 3.81 0.46 0.00 -1.26 -5.15 105.19 108.06 2dj4 n GLY 4 Ca 0.01 0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 2dj4 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dj4 s SER 5 N 0.00 6.90 0.06 1.61 0.01 -1.26 -5.08 113.70 115.94 2dj4 s SER 5 Ca 0.00 1.07 -0.07 0.00 1.31 0.00 0.00 55.95 58.27 2dj4 s SER 5 Cb 0.00 -2.30 -0.01 0.00 0.21 0.00 0.00 66.02 63.92 2dj4 s SER 5 CO 0.00 0.27 0.13 -0.94 0.41 0.00 0.00 173.24 173.10 2dj4 s SER 6 N -0.90 0.20 -0.39 2.44 1.04 -1.26 -5.10 113.70 109.72 2dj4 s SER 6 Ca 0.26 -0.67 0.09 0.00 0.48 0.00 0.00 55.95 56.12 2dj4 s SER 6 Cb -0.18 0.28 0.29 0.00 0.10 0.00 0.00 66.02 66.51 2dj4 s SER 6 CO 0.15 -0.64 0.66 0.61 0.98 0.00 0.00 173.24 175.00 2dj4 n GLY 7 N 0.23 2.78 3.80 7.32 0.00 -1.26 -5.12 105.19 112.94 2dj4 n GLY 7 Ca -0.16 -1.39 -0.22 0.00 0.00 0.00 0.00 46.02 44.25 2dj4 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dj4 s VAL 8 N -1.40 4.32 -0.13 1.61 0.11 -1.26 -5.11 120.40 118.53 2dj4 s VAL 8 Ca 0.36 -1.44 -0.11 0.00 -2.93 0.00 0.00 61.98 57.86 2dj4 s VAL 8 Cb 0.25 -3.32 -0.05 0.00 -1.53 0.00 0.00 36.38 31.73 2dj4 s VAL 8 CO -0.11 -0.33 0.23 -0.69 -3.33 0.00 0.00 175.10 170.87 2dj4 s VAL 9 N -2.12 5.35 -0.38 2.04 1.01 -1.26 -4.78 120.40 120.26 2dj4 s VAL 9 Ca 0.32 0.41 0.01 0.00 0.00 0.00 0.00 61.98 62.73 2dj4 s VAL 9 Cb -0.08 -3.54 0.12 0.00 0.00 0.00 0.00 36.38 32.88 2dj4 s VAL 9 CO 0.24 0.50 0.16 -1.81 0.00 0.00 0.00 175.10 174.18 2dj4 s ASP 10 N -0.22 4.01 0.00 3.32 1.01 0.60 -4.96 116.67 120.43 2dj4 s ASP 10 Ca 0.15 -2.20 0.15 0.00 0.71 0.00 0.00 52.55 51.36 2dj4 s ASP 10 Cb -0.13 -1.10 0.87 0.00 1.01 0.00 0.00 42.92 43.57 2dj4 s ASP 10 CO 0.04 -0.34 1.36 -0.81 0.21 0.00 0.00 175.17 175.63 2dj4 n PRO 11 N 4.13 0.40 -0.34 8.23 -0.04 -1.26 -2.04 135.00 144.07 2dj4 n PRO 11 Ca 0.04 0.05 0.12 0.00 -0.04 0.00 0.00 63.50 63.66 2dj4 n PRO 11 Cb 0.38 -1.50 0.31 0.00 -0.04 0.00 0.00 33.50 32.65 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 -1.09 3.85 -0.11 3.54 3.41 -1.26 -4.03 113.62 117.92 2dj4 n SER 12 Ca 0.10 -2.00 0.04 0.00 -0.26 0.00 0.00 58.87 56.75 2dj4 n SER 12 Cb 0.07 -0.45 -0.02 0.00 -0.26 0.00 0.00 64.21 63.56 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 1.63 3.09 -3.02 4.33 4.76 -0.87 -4.94 118.16 123.13 2dj4 n LYS 13 Ca 0.24 -0.33 -0.40 0.00 -2.87 0.00 0.00 58.31 54.94 2dj4 n LYS 13 Cb 0.62 -0.95 -0.05 0.00 -1.84 0.00 0.00 35.03 32.81 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 -1.36 5.01 0.34 -0.18 0.11 -1.26 -4.36 120.40 118.70 2dj4 s VAL 14 Ca 0.05 1.45 0.06 0.00 -2.93 0.00 0.00 61.98 60.61 2dj4 s VAL 14 Cb 0.06 -4.05 -0.07 0.00 -1.53 0.00 0.00 36.38 30.80 2dj4 s VAL 14 CO 0.24 0.19 0.00 -0.54 -3.33 0.00 0.00 175.10 171.66 2dj4 s LYS 15 N 1.20 1.73 -0.06 1.54 1.02 -0.30 -4.91 119.74 119.95 2dj4 s LYS 15 Ca 0.37 -1.94 -0.04 0.00 0.02 0.00 0.00 55.97 54.37 2dj4 s LYS 15 Cb -0.17 -1.24 0.02 0.00 -0.52 0.00 0.00 37.83 35.92 2dj4 s LYS 15 CO 0.16 -0.06 0.15 0.96 -0.92 0.00 0.00 175.35 175.64 2dj4 s ILE 16 N -2.99 -0.02 -0.01 2.17 -4.36 -1.26 -0.04 121.20 114.69 2dj4 s ILE 16 Ca 0.34 0.06 -0.04 0.00 -0.26 0.00 0.00 60.65 60.76 2dj4 s ILE 16 Cb 0.07 -0.23 0.00 0.00 1.25 0.00 0.00 42.46 43.55 2dj4 s ILE 16 CO 0.15 0.03 0.08 0.00 0.24 0.00 0.00 174.94 175.44 2dj4 s ALA 17 N 0.49 -0.17 0.00 2.27 0.00 -0.25 -4.99 121.76 119.10 2dj4 s ALA 17 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.88 2dj4 s ALA 17 Cb -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.06 2dj4 s ALA 17 CO -0.02 -0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.03 2dj4 n GLY 18 N 2.28 0.16 0.26 0.00 0.00 -1.26 -1.00 105.19 105.64 2dj4 n GLY 18 Ca -0.18 -1.35 -0.13 0.00 0.00 0.00 0.00 46.02 44.37 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 0.92 -1.04 1.61 0.13 -1.96 -2.72 132.00 128.94 2dj4 h PRO 19 Ca 0.00 -0.48 0.30 0.00 -0.87 0.00 0.00 66.00 64.95 2dj4 h PRO 19 Cb 0.00 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 31.10 2dj4 h PRO 19 CO 0.00 1.14 0.74 0.78 -0.23 0.00 0.00 178.00 180.43 2dj4 h GLY 20 N 0.80 0.05 0.44 1.56 0.00 -1.75 0.31 103.07 104.48 2dj4 h GLY 20 Ca 0.06 -0.01 -0.08 0.00 0.00 0.00 0.00 47.33 47.30 2dj4 h GLY 20 CO 0.09 -0.00 -1.69 1.04 0.00 0.00 0.00 176.54 175.98 2dj4 n LEU 21 N -4.24 0.38 -4.47 3.11 4.77 -1.17 -4.93 117.00 110.45 2dj4 n LEU 21 Ca 0.22 0.16 -0.31 0.00 -0.03 0.00 0.00 56.01 56.05 2dj4 n LEU 21 Cb 1.09 0.07 0.18 0.00 -2.33 0.00 0.00 43.42 42.44 2dj4 n LEU 21 CO 0.39 0.05 0.18 0.61 -1.33 0.00 0.00 177.39 177.29 2dj4 n GLY 22 N 1.33 -1.70 0.50 -0.72 0.00 0.11 -4.85 105.19 99.87 2dj4 n GLY 22 Ca -0.08 -0.87 0.02 0.00 0.00 0.00 0.00 46.02 45.08 2dj4 n GLY 22 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dj4 n SER 23 N -3.21 1.32 -2.29 1.61 3.41 -1.26 -3.94 113.62 109.25 2dj4 n SER 23 Ca 0.06 -2.08 -0.28 0.00 -0.26 0.00 0.00 58.87 56.31 2dj4 n SER 23 Cb 0.55 -0.30 0.02 0.00 -0.26 0.00 0.00 64.21 64.22 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 0.46 6.13 3.89 5.00 0.00 -1.26 -4.96 105.19 114.45 2dj4 n GLY 24 Ca 0.05 -2.64 -0.32 0.00 0.00 0.00 0.00 46.02 43.11 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 -4.99 5.17 0.15 1.61 1.01 -1.25 -5.02 120.40 117.09 2dj4 s VAL 25 Ca 0.52 0.07 0.09 0.00 0.00 0.00 0.00 61.98 62.66 2dj4 s VAL 25 Cb 0.42 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 2dj4 s VAL 25 CO -0.08 0.09 -0.20 -0.13 0.00 0.00 0.00 175.10 174.78 2dj4 s ARG 26 N -2.52 1.27 0.54 2.72 0.52 -1.26 -0.32 118.95 119.91 2dj4 s ARG 26 Ca 0.39 -1.36 -0.18 0.00 -0.52 0.00 0.00 55.73 54.06 2dj4 s ARG 26 Cb -0.12 -1.42 -0.06 0.00 0.52 0.00 0.00 34.95 33.87 2dj4 s ARG 26 CO 0.23 0.30 1.07 0.00 0.02 0.00 0.00 175.30 176.92 2dj4 s ALA 27 N -1.75 2.77 -1.49 2.13 0.00 0.18 -3.52 121.76 120.08 2dj4 s ALA 27 Ca 0.14 0.57 -0.12 0.00 0.00 0.00 0.00 51.96 52.55 2dj4 s ALA 27 Cb -0.07 -3.27 0.07 0.00 0.00 0.00 0.00 23.12 19.85 2dj4 s ALA 27 CO 0.06 -0.63 0.95 0.54 0.00 0.00 0.00 175.76 176.69 2dj4 n ARG 28 N -1.49 -5.71 -4.20 0.00 1.74 0.10 -4.33 116.66 102.76 2dj4 n ARG 28 Ca 0.10 0.65 -0.16 0.00 -0.77 0.00 0.00 57.85 57.66 2dj4 n ARG 28 Cb 0.52 -5.55 -0.13 0.00 -1.02 0.00 0.00 32.46 26.28 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 -3.26 0.67 -0.21 1.55 1.01 -1.23 -5.02 120.40 113.91 2dj4 s VAL 29 Ca 0.61 -0.71 -0.29 0.00 0.00 0.00 0.00 61.98 61.59 2dj4 s VAL 29 Cb -0.30 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 2dj4 s VAL 29 CO 0.76 -0.06 1.78 -0.22 0.00 0.00 0.00 175.10 177.36 2dj4 s LEU 30 N -0.85 3.82 -0.11 3.92 2.96 -1.26 -4.20 118.68 122.96 2dj4 s LEU 30 Ca -0.02 1.73 0.02 0.00 -0.22 0.00 0.00 54.13 55.64 2dj4 s LEU 30 Cb -0.06 -3.53 -0.01 0.00 0.50 0.00 0.00 46.19 43.09 2dj4 s LEU 30 CO 0.00 -1.42 -0.19 -1.10 -1.32 0.00 0.00 176.35 172.32 2dj4 s GLN 31 N 5.07 3.19 0.12 1.98 -1.52 0.72 -4.99 119.66 124.24 2dj4 s GLN 31 Ca 0.79 -0.80 -0.05 0.00 -1.95 0.00 0.00 55.36 53.36 2dj4 s GLN 31 Cb -0.28 -2.44 -0.02 0.00 -0.22 0.00 0.00 33.01 30.05 2dj4 s GLN 31 CO 0.32 0.20 0.14 0.45 -0.25 0.00 0.00 175.29 176.15 2dj4 s SER 32 N 0.34 0.22 0.30 5.90 0.15 -1.26 -0.32 113.70 119.03 2dj4 s SER 32 Ca -0.15 -0.96 -0.07 0.00 0.70 0.00 0.00 55.95 55.47 2dj4 s SER 32 Cb -0.17 0.33 0.03 0.00 -1.71 0.00 0.00 66.02 64.50 2dj4 s SER 32 CO 0.08 -0.76 0.52 2.22 1.20 0.00 0.00 173.24 176.50 2dj4 n PHE 33 N -0.09 -1.71 -5.16 3.44 -1.74 -1.12 -2.03 117.46 109.05 2dj4 n PHE 33 Ca -0.09 -1.67 -0.32 0.00 -0.56 0.00 0.00 57.45 54.81 2dj4 n PHE 33 Cb 0.63 0.61 -0.16 0.00 1.52 0.00 0.00 39.48 42.07 2dj4 n PHE 33 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 2dj4 s THR 34 N -2.49 2.22 -0.37 1.97 2.01 -0.17 -3.05 115.64 115.75 2dj4 s THR 34 Ca 0.17 -0.97 -0.04 0.00 0.31 0.00 0.00 61.69 61.16 2dj4 s THR 34 Cb -0.03 -1.85 0.08 0.00 0.01 0.00 0.00 72.50 70.71 2dj4 s THR 34 CO 0.13 0.56 0.15 -0.69 -0.69 0.00 0.00 174.62 174.07 2dj4 s VAL 35 N 0.24 3.47 -0.62 3.82 1.01 -0.46 -1.09 120.40 126.77 2dj4 s VAL 35 Ca -0.15 -1.61 -0.24 0.00 0.00 0.00 0.00 61.98 59.98 2dj4 s VAL 35 Cb -0.17 -3.17 0.05 0.00 0.00 0.00 0.00 36.38 33.10 2dj4 s VAL 35 CO 0.08 -0.43 0.99 -0.62 0.00 0.00 0.00 175.10 175.12 2dj4 s ASP 36 N 1.68 6.24 -0.21 3.32 -1.08 0.95 -0.88 116.67 126.69 2dj4 s ASP 36 Ca 0.02 -0.66 0.12 0.00 -0.52 0.00 0.00 52.55 51.51 2dj4 s ASP 36 Cb -0.22 -2.44 0.42 0.00 -1.46 0.00 0.00 42.92 39.22 2dj4 s ASP 36 CO -0.01 -1.39 1.24 -1.54 0.52 0.00 0.00 175.17 173.99 2dj4 n SER 37 N 7.77 1.85 0.08 -0.34 3.41 -1.20 -1.15 113.62 124.03 2dj4 n SER 37 Ca -0.01 -3.82 -0.12 0.00 -0.26 0.00 0.00 58.87 54.67 2dj4 n SER 37 Cb 0.47 -0.53 -0.04 0.00 -0.26 0.00 0.00 64.21 63.85 2dj4 n SER 37 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2dj4 h SER 38 N 0.91 0.41 1.60 4.04 0.87 -1.81 -3.07 113.55 116.50 2dj4 h SER 38 Ca 0.02 -0.34 0.00 0.00 -1.23 0.00 0.00 61.79 60.24 2dj4 h SER 38 Cb 1.06 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.89 2dj4 h SER 38 CO 0.04 1.15 -0.01 0.11 -0.53 0.00 0.00 176.83 177.58 2dj4 h LYS 39 N 0.17 0.00 0.16 2.24 1.57 -1.84 -3.25 116.57 115.63 2dj4 h LYS 39 Ca -0.07 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.41 2dj4 h LYS 39 Cb 1.58 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.91 2dj4 h LYS 39 CO 0.15 0.00 -1.31 0.00 -0.57 0.00 0.00 179.45 177.72 2dj4 h ALA 40 N 2.39 -0.01 0.00 3.86 0.00 -1.70 -3.44 119.26 120.36 2dj4 h ALA 40 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.08 2dj4 h ALA 40 Cb 0.80 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2dj4 h ALA 40 CO 0.00 0.78 0.00 0.41 0.00 0.00 0.00 179.25 180.44 2dj4 n GLY 41 N 1.51 0.45 0.51 0.00 0.00 -1.17 -0.29 105.19 106.21 2dj4 n GLY 41 Ca -0.13 -1.41 0.09 0.00 0.00 0.00 0.00 46.02 44.57 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 3.14 -4.81 0.99 -0.00 -1.26 -4.64 117.00 110.42 2dj4 n LEU 42 Ca 0.00 -2.95 -0.33 0.00 -0.00 0.00 0.00 56.01 52.73 2dj4 n LEU 42 Cb 0.00 -0.46 -0.03 0.00 -0.00 0.00 0.00 43.42 42.93 2dj4 n LEU 42 CO 0.00 0.68 0.70 0.00 -0.00 0.00 0.00 177.39 178.77 2dj4 s ALA 43 N -2.67 2.90 0.94 1.47 0.00 -1.26 -5.04 121.76 118.08 2dj4 s ALA 43 Ca 0.35 0.48 -0.12 0.00 0.00 0.00 0.00 51.96 52.67 2dj4 s ALA 43 Cb 0.29 -3.22 0.15 0.00 0.00 0.00 0.00 23.12 20.35 2dj4 s ALA 43 CO 0.06 -0.33 1.09 -1.25 0.00 0.00 0.00 175.76 175.34 2dj4 s PRO 44 N -3.49 0.92 -0.04 0.00 0.04 -1.26 -4.84 135.00 126.33 2dj4 s PRO 44 Ca 0.65 0.71 0.05 0.00 0.04 0.00 0.00 61.00 62.44 2dj4 s PRO 44 Cb -0.14 -1.78 -0.01 0.00 0.04 0.00 0.00 34.50 32.61 2dj4 s PRO 44 CO 0.23 -2.44 -0.17 -1.17 0.04 0.00 0.00 177.00 173.49 2dj4 s LEU 45 N -6.32 1.94 0.07 -3.56 2.96 -1.26 -3.22 118.68 109.30 2dj4 s LEU 45 Ca 0.64 -0.34 0.09 0.00 -0.22 0.00 0.00 54.13 54.30 2dj4 s LEU 45 Cb -0.18 -0.95 -0.03 0.00 0.50 0.00 0.00 46.19 45.53 2dj4 s LEU 45 CO 0.57 0.17 -0.24 -0.70 -1.32 0.00 0.00 176.35 174.83 2dj4 s GLU 46 N -0.08 1.52 -0.03 1.98 -6.30 -0.96 -4.98 118.70 109.85 2dj4 s GLU 46 Ca -0.01 -1.12 0.00 0.00 -2.50 0.00 0.00 54.97 51.34 2dj4 s GLU 46 Cb -0.10 -1.76 0.03 0.00 0.00 0.00 0.00 34.13 32.30 2dj4 s GLU 46 CO 0.01 0.44 0.02 0.08 0.02 0.00 0.00 175.26 175.83 2dj4 s VAL 47 N -0.90 0.07 -0.01 3.70 1.01 -1.26 -1.62 120.40 121.38 2dj4 s VAL 47 Ca 0.10 0.16 0.06 0.00 0.00 0.00 0.00 61.98 62.31 2dj4 s VAL 47 Cb -0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 36.38 36.08 2dj4 s VAL 47 CO 0.03 0.13 -0.19 -0.60 0.00 0.00 0.00 175.10 174.46 2dj4 s ARG 48 N 1.13 1.56 -0.21 2.72 3.52 0.74 -4.56 118.95 123.86 2dj4 s ARG 48 Ca -0.08 -0.71 0.01 0.00 -0.13 0.00 0.00 55.73 54.82 2dj4 s ARG 48 Cb -0.13 -1.52 0.03 0.00 -1.56 0.00 0.00 34.95 31.77 2dj4 s ARG 48 CO -0.02 0.42 -0.17 0.08 -0.81 0.00 0.00 175.30 174.79 2dj4 s VAL 49 N -0.47 2.12 -0.16 7.11 1.01 -1.23 0.36 120.40 129.14 2dj4 s VAL 49 Ca 0.07 -1.14 -0.00 0.00 0.00 0.00 0.00 61.98 60.91 2dj4 s VAL 49 Cb -0.08 -2.00 -0.00 0.00 0.00 0.00 0.00 36.38 34.30 2dj4 s VAL 49 CO -0.01 0.36 -0.14 -0.76 0.00 0.00 0.00 175.10 174.56 2dj4 s LEU 50 N 1.24 2.57 1.24 3.92 2.01 -0.25 -1.45 118.68 127.97 2dj4 s LEU 50 Ca 0.01 -0.43 -0.18 0.00 0.01 0.00 0.00 54.13 53.54 2dj4 s LEU 50 Cb -0.15 -1.59 0.30 0.00 0.01 0.00 0.00 46.19 44.76 2dj4 s LEU 50 CO -0.10 0.09 1.03 -0.83 1.01 0.00 0.00 176.35 177.54 2dj4 s GLY 51 N 0.80 1.51 0.09 -3.19 0.00 0.78 -1.84 107.32 105.47 2dj4 s GLY 51 Ca -0.05 -0.66 -0.16 0.00 0.00 0.00 0.00 44.72 43.85 2dj4 s GLY 51 CO 0.00 0.20 1.41 -0.56 0.00 0.00 0.00 173.10 174.15 2dj4 h PRO 52 N -2.78 0.64 -0.03 2.90 0.13 -1.90 -3.26 132.00 127.70 2dj4 h PRO 52 Ca -0.50 -0.34 -0.24 0.00 -0.87 0.00 0.00 66.00 64.06 2dj4 h PRO 52 Cb 1.32 0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.48 2dj4 h PRO 52 CO 0.39 0.94 -0.94 0.00 -0.23 0.00 0.00 178.00 178.16 2dj4 h ARG 53 N 0.36 0.59 0.00 0.86 -0.00 -1.93 -3.47 114.38 110.80 2dj4 h ARG 53 Ca 0.04 -0.60 0.00 0.00 -0.50 0.00 0.00 59.98 58.93 2dj4 h ARG 53 Cb 0.82 0.16 0.00 0.00 0.00 0.00 0.00 29.97 30.95 2dj4 h ARG 53 CO 0.06 1.21 0.00 0.41 0.00 0.00 0.00 179.97 181.65 2dj4 n GLY 54 N 0.93 0.00 3.90 0.04 0.00 -1.23 -5.16 105.19 103.67 2dj4 n GLY 54 Ca -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.65 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 3.94 -0.20 0.99 2.96 -1.26 -4.83 118.68 120.29 2dj4 s LEU 55 Ca 0.00 0.82 -0.00 0.00 -0.22 0.00 0.00 54.13 54.73 2dj4 s LEU 55 Cb 0.00 -3.67 0.02 0.00 0.50 0.00 0.00 46.19 43.03 2dj4 s LEU 55 CO 0.00 -0.30 -0.15 -0.69 -1.32 0.00 0.00 176.35 173.89 2dj4 s VAL 56 N -2.26 2.41 0.02 1.68 1.01 -1.26 -0.15 120.40 121.84 2dj4 s VAL 56 Ca 0.46 -0.92 0.07 0.00 0.00 0.00 0.00 61.98 61.59 2dj4 s VAL 56 Cb -0.10 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 2dj4 s VAL 56 CO 0.33 0.43 -0.21 -1.61 0.00 0.00 0.00 175.10 174.04 2dj4 s GLU 57 N 1.31 2.08 0.97 2.72 0.41 -0.53 -5.02 118.70 120.64 2dj4 s GLU 57 Ca 0.03 -0.96 -0.12 0.00 -0.41 0.00 0.00 54.97 53.51 2dj4 s GLU 57 Cb -0.14 -2.14 0.17 0.00 -1.78 0.00 0.00 34.13 30.24 2dj4 s GLU 57 CO -0.10 0.55 1.09 -1.25 -0.49 0.00 0.00 175.26 175.07 2dj4 s PRO 58 N -1.16 0.65 0.00 0.39 0.04 -1.26 -3.52 135.00 130.15 2dj4 s PRO 58 Ca 0.13 0.60 -0.01 0.00 0.04 0.00 0.00 61.00 61.76 2dj4 s PRO 58 Cb -0.10 -1.76 -0.01 0.00 0.04 0.00 0.00 34.50 32.67 2dj4 s PRO 58 CO 0.03 -2.60 0.01 0.08 0.04 0.00 0.00 177.00 174.56 2dj4 s VAL 59 N -2.96 0.05 -0.02 -0.36 1.01 -1.26 -4.80 120.40 112.06 2dj4 s VAL 59 Ca 0.65 -0.40 -0.15 0.00 0.00 0.00 0.00 61.98 62.08 2dj4 s VAL 59 Cb -0.18 -0.15 -0.05 0.00 0.00 0.00 0.00 36.38 35.99 2dj4 s VAL 59 CO 0.57 -0.22 0.42 0.21 0.00 0.00 0.00 175.10 176.08 2dj4 s ASN 60 N -0.65 6.79 -0.11 3.32 2.47 -0.84 -5.00 114.94 120.92 2dj4 s ASN 60 Ca -0.07 0.94 -0.01 0.00 0.42 0.00 0.00 52.86 54.13 2dj4 s ASN 60 Cb -0.04 -2.26 0.03 0.00 -1.45 0.00 0.00 41.25 37.53 2dj4 s ASN 60 CO -0.00 0.28 -0.02 0.54 -3.72 0.00 0.00 177.10 174.18 2dj4 s VAL 61 N -0.82 0.64 -0.01 -5.21 0.11 -1.26 -3.36 120.40 110.49 2dj4 s VAL 61 Ca 0.24 -0.16 0.02 0.00 -2.93 0.00 0.00 61.98 59.14 2dj4 s VAL 61 Cb -0.16 -0.81 -0.00 0.00 -1.53 0.00 0.00 36.38 33.87 2dj4 s VAL 61 CO 0.13 0.20 -0.05 -0.69 -3.33 0.00 0.00 175.10 171.36 2dj4 s VAL 62 N 1.85 0.45 0.04 2.04 1.01 -0.22 -5.00 120.40 120.58 2dj4 s VAL 62 Ca 0.04 -0.22 -0.19 0.00 0.00 0.00 0.00 61.98 61.61 2dj4 s VAL 62 Cb -0.13 -0.40 -0.06 0.00 0.00 0.00 0.00 36.38 35.79 2dj4 s VAL 62 CO -0.07 0.14 0.56 -0.62 0.00 0.00 0.00 175.10 175.11 2dj4 s ASP 63 N 0.03 7.01 -0.09 3.32 2.15 -1.26 0.46 116.67 128.28 2dj4 s ASP 63 Ca 0.00 1.20 -0.23 0.00 0.43 0.00 0.00 52.55 53.95 2dj4 s ASP 63 Cb -0.04 -2.35 -0.28 0.00 -0.30 0.00 0.00 42.92 39.95 2dj4 s ASP 63 CO -0.00 0.23 0.77 0.78 -0.17 0.00 0.00 175.17 176.78 2dj4 h ASN 64 N 4.87 0.29 0.00 -0.34 2.35 -1.67 -3.46 115.58 117.62 2dj4 h ASN 64 Ca -0.49 -0.93 0.00 0.00 -0.55 0.00 0.00 56.30 54.34 2dj4 h ASN 64 Cb 1.21 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.49 2dj4 h ASN 64 CO 0.65 1.31 0.00 0.61 -1.65 0.00 0.00 177.43 178.35 2dj4 n GLY 65 N 1.65 1.63 0.13 2.83 0.00 -1.26 -4.93 105.19 105.24 2dj4 n GLY 65 Ca -0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.65 2dj4 n GLY 65 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2dj4 h ASP 66 N 0.84 0.33 0.00 1.61 3.32 -2.04 -3.47 116.42 117.01 2dj4 h ASP 66 Ca 0.00 -0.83 0.00 0.00 0.02 0.00 0.00 57.03 56.22 2dj4 h ASP 66 Cb 0.00 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.44 2dj4 h ASP 66 CO 0.00 1.67 0.00 0.61 -1.72 0.00 0.00 179.24 179.80 2dj4 n GLY 67 N 1.76 0.00 3.55 2.75 0.00 -1.26 -5.02 105.19 106.98 2dj4 n GLY 67 Ca -0.28 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.23 115.64 109.43 2dj4 s THR 68 Ca 0.00 -1.48 -0.04 0.00 -1.18 0.00 0.00 61.69 58.99 2dj4 s THR 68 Cb 0.00 -2.64 0.05 0.00 1.34 0.00 0.00 72.50 71.25 2dj4 s THR 68 CO 0.00 0.00 0.22 -1.00 -0.54 0.00 0.00 174.62 173.30 2dj4 s HIS 69 N -3.02 -0.30 -0.02 3.99 0.09 -0.06 -1.58 115.29 114.39 2dj4 s HIS 69 Ca 0.27 0.74 -0.23 0.00 -0.00 0.00 0.00 55.06 55.84 2dj4 s HIS 69 Cb -0.01 -0.02 -0.05 0.00 -0.00 0.00 0.00 32.58 32.50 2dj4 s HIS 69 CO 0.18 -0.24 0.70 0.99 -0.00 0.00 0.00 174.74 176.36 2dj4 s THR 70 N 1.54 4.91 -0.23 1.30 2.01 0.17 -1.36 115.64 123.99 2dj4 s THR 70 Ca -0.06 1.47 0.01 0.00 0.31 0.00 0.00 61.69 63.41 2dj4 s THR 70 Cb -0.11 -4.05 0.06 0.00 0.01 0.00 0.00 72.50 68.41 2dj4 s THR 70 CO -0.08 0.32 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.42 2dj4 s VAL 71 N 0.32 1.53 0.02 3.82 1.01 -1.17 -1.06 120.40 124.87 2dj4 s VAL 71 Ca 0.37 -1.16 -0.01 0.00 0.00 0.00 0.00 61.98 61.18 2dj4 s VAL 71 Cb -0.19 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 2dj4 s VAL 71 CO 0.20 -0.05 0.13 0.42 0.00 0.00 0.00 175.10 175.81 2dj4 s THR 72 N 1.41 5.04 0.21 3.92 -4.23 -1.21 -2.79 115.64 117.98 2dj4 s THR 72 Ca -0.05 -0.37 -0.23 0.00 -1.18 0.00 0.00 61.69 59.86 2dj4 s THR 72 Cb -0.18 -3.37 0.06 0.00 1.34 0.00 0.00 72.50 70.35 2dj4 s THR 72 CO -0.07 0.28 0.93 -0.72 -0.54 0.00 0.00 174.62 174.50 2dj4 s TYR 73 N -1.31 -0.05 -0.21 3.99 1.13 0.56 -1.99 117.35 119.47 2dj4 s TYR 73 Ca 0.27 -0.35 -0.04 0.00 -1.41 0.00 0.00 57.07 55.54 2dj4 s TYR 73 Cb -0.12 0.69 0.10 0.00 -1.10 0.00 0.00 41.96 41.53 2dj4 s TYR 73 CO 0.19 -1.00 0.34 0.99 -2.51 0.00 0.00 175.55 173.55 2dj4 s THR 74 N -2.94 -0.53 -0.81 -3.49 2.01 -1.26 -0.20 115.64 108.43 2dj4 s THR 74 Ca 0.15 0.04 -0.25 0.00 0.31 0.00 0.00 61.69 61.93 2dj4 s THR 74 Cb -0.03 -0.69 -0.04 0.00 0.01 0.00 0.00 72.50 71.76 2dj4 s THR 74 CO 0.05 -0.05 1.92 -2.16 -0.69 0.00 0.00 174.62 173.68 2dj4 s PRO 75 N 2.50 2.58 0.23 4.92 0.04 -1.26 -4.84 135.00 139.17 2dj4 s PRO 75 Ca 0.07 0.00 0.04 0.00 0.04 0.00 0.00 61.00 61.15 2dj4 s PRO 75 Cb -0.14 -4.84 0.61 0.00 0.04 0.00 0.00 34.50 30.17 2dj4 s PRO 75 CO -0.13 -3.16 1.12 0.43 0.04 0.00 0.00 177.00 175.29 2dj4 n SER 76 N 13.56 -0.03 -4.25 6.66 7.64 -1.26 -0.73 113.62 135.22 2dj4 n SER 76 Ca 0.34 1.21 -0.16 0.00 1.01 0.00 0.00 58.87 61.26 2dj4 n SER 76 Cb 0.49 -0.46 -0.10 0.00 -1.01 0.00 0.00 64.21 63.12 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 -5.53 1.42 0.83 1.43 -2.07 -1.26 -3.89 119.66 110.59 2dj4 s GLN 77 Ca -0.09 -1.77 -0.08 0.00 -1.82 0.00 0.00 55.36 51.60 2dj4 s GLN 77 Cb 0.21 -0.17 0.16 0.00 -1.09 0.00 0.00 33.01 32.12 2dj4 s GLN 77 CO 0.56 -0.33 1.15 -1.83 -1.32 0.00 0.00 175.29 173.51 2dj4 s GLU 78 N -4.01 1.22 0.00 9.60 4.04 -1.26 -4.74 118.70 123.54 2dj4 s GLU 78 Ca 0.38 -0.76 0.00 0.00 0.04 0.00 0.00 54.97 54.62 2dj4 s GLU 78 Cb 0.07 -2.10 0.00 0.00 0.02 0.00 0.00 34.13 32.12 2dj4 s GLU 78 CO 0.14 -1.89 0.00 0.41 -1.84 0.00 0.00 175.26 172.08 2dj4 n GLY 79 N -3.27 1.94 3.57 -3.83 0.00 -0.56 -4.89 105.19 98.16 2dj4 n GLY 79 Ca 0.15 -2.17 -0.28 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 -1.60 2.52 0.89 1.61 0.04 -1.26 -0.15 135.00 137.05 2dj4 s PRO 80 Ca 0.00 -0.89 -0.13 0.00 0.04 0.00 0.00 61.00 60.02 2dj4 s PRO 80 Cb 0.00 -5.19 0.13 0.00 0.04 0.00 0.00 34.50 29.49 2dj4 s PRO 80 CO 0.00 -3.78 1.21 0.71 0.04 0.00 0.00 177.00 175.18 2dj4 s TYR 81 N 10.68 2.37 -0.13 0.56 1.51 0.42 -3.99 117.35 128.76 2dj4 s TYR 81 Ca 0.69 0.64 -0.04 0.00 -1.01 0.00 0.00 57.07 57.35 2dj4 s TYR 81 Cb -0.03 -3.64 0.06 0.00 -0.11 0.00 0.00 41.96 38.25 2dj4 s TYR 81 CO 0.09 -2.24 0.18 1.41 -1.11 0.00 0.00 175.55 173.87 2dj4 s MET 82 N -5.59 0.09 -0.62 -0.62 1.75 -0.77 -2.24 119.30 111.31 2dj4 s MET 82 Ca 0.66 0.38 -0.11 0.00 -1.25 0.00 0.00 55.69 55.37 2dj4 s MET 82 Cb -0.10 -0.75 0.16 0.00 2.84 0.00 0.00 34.83 36.98 2dj4 s MET 82 CO 0.51 -0.46 0.52 0.08 -0.65 0.00 0.00 175.02 175.02 2dj4 s VAL 83 N 2.29 4.75 0.40 10.11 1.01 0.00 -1.09 120.40 137.88 2dj4 s VAL 83 Ca 0.04 -2.14 -0.23 0.00 0.00 0.00 0.00 61.98 59.65 2dj4 s VAL 83 Cb -0.14 -4.04 -0.10 0.00 0.00 0.00 0.00 36.38 32.11 2dj4 s VAL 83 CO -0.08 -0.89 1.00 -0.55 0.00 0.00 0.00 175.10 174.58 2dj4 s SER 84 N 2.37 6.85 -0.01 3.32 0.15 0.16 -1.42 113.70 125.12 2dj4 s SER 84 Ca 0.11 1.89 0.00 0.00 0.70 0.00 0.00 55.95 58.65 2dj4 s SER 84 Cb -0.21 -2.57 0.01 0.00 -1.71 0.00 0.00 66.02 61.54 2dj4 s SER 84 CO -0.03 -0.42 0.01 -0.69 1.20 0.00 0.00 173.24 173.31 2dj4 s VAL 85 N -1.83 -0.01 0.31 4.45 1.01 -1.26 -0.18 120.40 122.89 2dj4 s VAL 85 Ca 0.59 0.05 0.04 0.00 0.00 0.00 0.00 61.98 62.66 2dj4 s VAL 85 Cb -0.17 -0.03 -0.06 0.00 0.00 0.00 0.00 36.38 36.11 2dj4 s VAL 85 CO 0.22 0.02 0.05 -0.75 0.00 0.00 0.00 175.10 174.64 2dj4 s LYS 86 N 0.27 1.60 -0.27 2.72 2.20 -0.64 -3.25 119.74 122.39 2dj4 s LYS 86 Ca -0.02 -1.88 -0.02 0.00 -0.36 0.00 0.00 55.97 53.68 2dj4 s LYS 86 Cb -0.03 -0.82 0.15 0.00 -1.51 0.00 0.00 37.83 35.62 2dj4 s LYS 86 CO -0.01 -0.18 0.47 -0.47 -0.36 0.00 0.00 175.35 174.81 2dj4 s TYR 87 N -3.32 -1.15 -1.32 4.03 5.04 -0.88 -2.25 117.35 117.50 2dj4 s TYR 87 Ca 0.36 1.26 -0.09 0.00 -2.44 0.00 0.00 57.07 56.16 2dj4 s TYR 87 Cb 0.08 0.27 0.01 0.00 0.35 0.00 0.00 41.96 42.67 2dj4 s TYR 87 CO 0.15 -0.77 1.12 0.00 -1.34 0.00 0.00 175.55 174.71 2dj4 n ALA 88 N 5.39 -1.25 -2.51 3.97 0.00 -1.20 -1.84 120.51 123.08 2dj4 n ALA 88 Ca -0.03 0.39 -0.14 0.00 0.00 0.00 0.00 53.44 53.66 2dj4 n ALA 88 Cb 0.50 -5.30 0.01 0.00 0.00 0.00 0.00 19.45 14.66 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 -2.84 -4.36 -3.52 0.00 8.00 -1.26 -5.00 116.55 107.57 2dj4 n ASP 89 Ca 0.00 -0.10 -0.23 0.00 0.71 0.00 0.00 54.79 55.17 2dj4 n ASP 89 Cb 0.56 -3.38 -0.14 0.00 -0.02 0.00 0.00 41.12 38.14 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 -4.99 0.18 -0.18 -1.24 2.02 -0.77 -5.11 118.70 108.61 2dj4 s GLU 90 Ca 0.10 -0.16 -0.35 0.00 0.02 0.00 0.00 54.97 54.59 2dj4 s GLU 90 Cb -0.04 -1.26 -0.11 0.00 0.10 0.00 0.00 34.13 32.81 2dj4 s GLU 90 CO 0.12 -0.84 1.97 0.39 0.02 0.00 0.00 175.26 176.93 2dj4 n GLU 91 N 5.29 1.79 -1.36 1.61 1.02 -1.26 -2.07 120.64 125.66 2dj4 n GLU 91 Ca -0.05 0.62 -0.36 0.00 -0.02 0.00 0.00 57.16 57.35 2dj4 n GLU 91 Cb 0.47 -2.60 0.09 0.00 -0.02 0.00 0.00 31.44 29.37 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 5.79 2.78 0.98 -3.67 -5.35 -1.20 -4.83 119.36 113.85 2dj4 n ILE 92 Ca 0.28 -0.37 0.04 0.00 -0.27 0.00 0.00 62.75 62.43 2dj4 n ILE 92 Cb 0.27 -1.08 0.25 0.00 -1.74 0.00 0.00 39.64 37.34 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 -1.79 0.49 -0.02 6.28 -0.04 -1.26 -1.71 135.00 136.94 2dj4 n PRO 93 Ca 0.13 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.61 2dj4 n PRO 93 Cb 0.49 -1.27 0.03 0.00 -0.04 0.00 0.00 33.50 32.72 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 -0.77 1.05 -4.37 0.54 5.12 -1.26 -5.02 116.66 111.95 2dj4 n ARG 94 Ca 0.06 -1.14 -0.27 0.00 -1.93 0.00 0.00 57.85 54.57 2dj4 n ARG 94 Cb 0.03 -1.07 -0.11 0.00 -1.16 0.00 0.00 32.46 30.15 2dj4 n ARG 94 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2dj4 s SER 95 N -0.61 3.73 1.23 0.55 0.15 -0.69 -4.27 113.70 113.78 2dj4 s SER 95 Ca 0.05 -0.75 -0.19 0.00 0.70 0.00 0.00 55.95 55.76 2dj4 s SER 95 Cb 0.03 -0.42 0.28 0.00 -1.71 0.00 0.00 66.02 64.19 2dj4 s SER 95 CO 0.04 0.12 0.98 -0.81 1.20 0.00 0.00 173.24 174.78 2dj4 n PRO 96 N 0.23 -2.94 -4.63 5.44 -0.04 -1.26 -4.81 135.00 126.99 2dj4 n PRO 96 Ca -0.12 -1.57 -0.33 0.00 -0.04 0.00 0.00 63.50 61.44 2dj4 n PRO 96 Cb 0.56 -1.47 -0.16 0.00 -0.04 0.00 0.00 33.50 32.38 2dj4 n PRO 96 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2dj4 s PHE 97 N -2.78 2.71 -0.47 0.54 0.40 -0.51 -4.94 117.98 112.92 2dj4 s PHE 97 Ca 0.64 -1.21 -0.27 0.00 -0.60 0.00 0.00 56.93 55.50 2dj4 s PHE 97 Cb -0.06 -1.84 0.03 0.00 0.51 0.00 0.00 43.02 41.65 2dj4 s PHE 97 CO 0.49 -0.55 0.99 -1.59 0.70 0.00 0.00 175.22 175.27 2dj4 s LYS 98 N 0.80 3.58 -0.32 0.44 -2.85 -1.26 -0.82 119.74 119.31 2dj4 s LYS 98 Ca -0.07 0.27 0.02 0.00 -1.00 0.00 0.00 55.97 55.20 2dj4 s LYS 98 Cb -0.16 -3.93 0.09 0.00 -2.06 0.00 0.00 37.83 31.78 2dj4 s LYS 98 CO -0.01 -1.29 0.04 0.08 0.10 0.00 0.00 175.35 174.27 2dj4 s VAL 99 N 3.99 1.87 -0.87 1.79 1.01 -0.95 -5.00 120.40 122.24 2dj4 s VAL 99 Ca 0.40 -1.95 -0.23 0.00 0.00 0.00 0.00 61.98 60.20 2dj4 s VAL 99 Cb -0.09 -2.33 0.07 0.00 0.00 0.00 0.00 36.38 34.03 2dj4 s VAL 99 CO 0.28 -0.52 1.23 -0.75 0.00 0.00 0.00 175.10 175.34 2dj4 s LYS 100 N 1.13 3.41 0.51 2.72 2.20 -1.26 -0.44 119.74 128.01 2dj4 s LYS 100 Ca 0.07 -1.05 -0.23 0.00 -0.36 0.00 0.00 55.97 54.40 2dj4 s LYS 100 Cb -0.19 -4.77 -0.06 0.00 -1.51 0.00 0.00 37.83 31.30 2dj4 s LYS 100 CO -0.12 -2.00 1.31 0.08 -0.36 0.00 0.00 175.35 174.26 2dj4 s VAL 101 N 4.34 2.38 0.20 4.02 1.01 0.78 -4.68 120.40 128.46 2dj4 s VAL 101 Ca 0.35 0.29 0.08 0.00 0.00 0.00 0.00 61.98 62.71 2dj4 s VAL 101 Cb -0.06 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 2dj4 s VAL 101 CO -0.01 0.00 0.00 -0.76 0.00 0.00 0.00 175.10 174.34 2dj4 s LEU 102 N -3.28 3.29 -0.04 3.92 1.43 0.56 -1.49 118.68 123.07 2dj4 s LEU 102 Ca 0.68 -0.45 -0.30 0.00 -1.03 0.00 0.00 54.13 53.03 2dj4 s LEU 102 Cb -0.37 -1.92 -0.05 0.00 0.03 0.00 0.00 46.19 43.88 2dj4 s LEU 102 CO 0.45 0.07 1.49 -2.16 0.23 0.00 0.00 176.35 176.42 2dj4 s PRO 103 N -3.13 4.23 0.33 1.29 0.04 -1.26 0.52 135.00 137.02 2dj4 s PRO 103 Ca 0.28 2.02 0.25 0.00 0.04 0.00 0.00 61.00 63.59 2dj4 s PRO 103 Cb -0.09 -3.76 1.09 0.00 0.04 0.00 0.00 34.50 31.79 2dj4 s PRO 103 CO 0.19 -0.71 1.11 2.41 0.04 0.00 0.00 177.00 180.04 2dj4 n THR 104 N 5.08 -0.15 -2.72 1.26 -1.04 -1.26 -4.20 114.28 111.25 2dj4 n THR 104 Ca 0.15 1.25 -0.39 0.00 -2.04 0.00 0.00 64.05 63.03 2dj4 n THR 104 Cb 0.43 -2.06 -0.06 0.00 -1.82 0.00 0.00 70.33 66.82 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 -4.71 3.78 0.12 -1.42 1.51 -1.26 -5.00 117.35 110.37 2dj4 s TYR 105 Ca -0.05 1.83 0.09 0.00 -1.01 0.00 0.00 57.07 57.92 2dj4 s TYR 105 Cb 0.22 -3.00 -0.04 0.00 -0.11 0.00 0.00 41.96 39.03 2dj4 s TYR 105 CO 0.59 0.18 -0.21 0.34 -1.11 0.00 0.00 175.55 175.34 2dj4 s ASP 106 N -1.34 2.68 -0.32 2.29 2.15 -1.26 -5.03 116.67 115.84 2dj4 s ASP 106 Ca 0.46 -0.73 0.00 0.00 0.43 0.00 0.00 52.55 52.71 2dj4 s ASP 106 Cb -0.24 -0.15 0.29 0.00 -0.30 0.00 0.00 42.92 42.52 2dj4 s ASP 106 CO 0.30 0.06 1.83 0.00 -0.17 0.00 0.00 175.17 177.18 2dj4 n ALA 107 N 0.90 4.86 0.00 3.66 0.00 -1.26 -5.23 120.51 123.44 2dj4 n ALA 107 Ca -0.18 -1.76 0.00 0.00 0.00 0.00 0.00 53.44 51.50 2dj4 n ALA 107 Cb 0.54 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.64 2dj4 n ALA 107 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37