#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 6.18 -0.83 1.61 0.15 -1.26 -4.96 113.70 114.60 2dj4 s SER 2 Ca 0.00 -0.48 -0.18 0.00 0.70 0.00 0.00 55.95 55.99 2dj4 s SER 2 Cb 0.00 -2.54 0.14 0.00 -1.71 0.00 0.00 66.02 61.91 2dj4 s SER 2 CO 0.00 -1.75 0.97 -0.44 1.20 0.00 0.00 173.24 173.21 2dj4 s SER 3 N 3.67 6.54 -0.27 5.45 0.01 -1.26 -4.95 113.70 122.88 2dj4 s SER 3 Ca 0.34 -1.98 -0.26 0.00 1.31 0.00 0.00 55.95 55.36 2dj4 s SER 3 Cb -0.09 -2.35 0.14 0.00 0.21 0.00 0.00 66.02 63.94 2dj4 s SER 3 CO 0.15 -1.01 1.14 -0.83 0.41 0.00 0.00 173.24 173.11 2dj4 s GLY 4 N 3.34 -0.03 -0.39 3.44 0.00 -1.26 -5.11 107.32 107.32 2dj4 s GLY 4 Ca 0.25 2.82 -0.27 0.00 0.00 0.00 0.00 44.72 47.52 2dj4 s GLY 4 CO -0.05 1.73 2.06 -0.45 0.00 0.00 0.00 173.10 176.39 2dj4 s SER 5 N -0.04 5.33 0.11 1.64 0.15 -1.26 -4.96 113.70 114.67 2dj4 s SER 5 Ca 0.04 1.24 0.06 0.00 0.70 0.00 0.00 55.95 57.98 2dj4 s SER 5 Cb -0.04 -2.52 -0.04 0.00 -1.71 0.00 0.00 66.02 61.71 2dj4 s SER 5 CO -0.08 -2.16 -0.02 -0.44 1.20 0.00 0.00 173.24 171.74 2dj4 s SER 6 N 8.41 4.84 0.00 5.45 0.01 -1.26 -4.96 113.70 126.19 2dj4 s SER 6 Ca 0.87 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.87 2dj4 s SER 6 Cb -0.22 -1.08 0.00 0.00 0.21 0.00 0.00 66.02 64.93 2dj4 s SER 6 CO 0.30 0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.72 2dj4 n GLY 7 N 0.47 -0.14 3.79 3.44 0.00 -1.26 -5.17 105.19 106.32 2dj4 n GLY 7 Ca -0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 4.74 -0.20 1.61 0.11 -1.26 -5.09 120.40 120.31 2dj4 s VAL 8 Ca 0.00 -0.43 -0.06 0.00 -2.93 0.00 0.00 61.98 58.56 2dj4 s VAL 8 Cb 0.00 -3.18 -0.03 0.00 -1.53 0.00 0.00 36.38 31.64 2dj4 s VAL 8 CO 0.00 0.33 0.03 -0.69 -3.33 0.00 0.00 175.10 171.44 2dj4 s VAL 9 N -1.22 4.21 -0.35 2.04 1.01 -1.26 -4.63 120.40 120.20 2dj4 s VAL 9 Ca 0.24 -0.23 0.02 0.00 0.00 0.00 0.00 61.98 62.01 2dj4 s VAL 9 Cb -0.12 -2.91 0.11 0.00 0.00 0.00 0.00 36.38 33.45 2dj4 s VAL 9 CO 0.15 0.42 0.11 -1.81 0.00 0.00 0.00 175.10 173.96 2dj4 s ASP 10 N 0.94 4.32 0.00 3.32 1.01 0.72 -4.96 116.67 122.02 2dj4 s ASP 10 Ca 0.02 -2.07 0.15 0.00 0.71 0.00 0.00 52.55 51.36 2dj4 s ASP 10 Cb -0.14 -1.26 0.87 0.00 1.01 0.00 0.00 42.92 43.40 2dj4 s ASP 10 CO 0.02 -0.37 1.37 -0.81 0.21 0.00 0.00 175.17 175.59 2dj4 n PRO 11 N 4.32 0.40 -0.57 8.23 -0.04 -1.26 -2.14 135.00 143.93 2dj4 n PRO 11 Ca 0.02 0.05 0.09 0.00 -0.04 0.00 0.00 63.50 63.62 2dj4 n PRO 11 Cb 0.40 -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 -1.13 -0.04 0.00 0.00 175.50 174.33 2dj4 n SER 12 N -1.09 4.58 -0.00 3.54 3.41 -1.26 -4.11 113.62 118.69 2dj4 n SER 12 Ca 0.10 -2.43 0.01 0.00 -0.26 0.00 0.00 58.87 56.30 2dj4 n SER 12 Cb 0.07 -0.55 -0.01 0.00 -0.26 0.00 0.00 64.21 63.46 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 1.04 5.90 -2.72 4.33 4.76 -0.91 -4.93 118.16 125.63 2dj4 n LYS 13 Ca 0.25 -0.03 -0.41 0.00 -2.87 0.00 0.00 58.31 55.25 2dj4 n LYS 13 Cb 0.85 -0.64 -0.04 0.00 -1.84 0.00 0.00 35.03 33.36 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 -1.20 4.47 0.37 -0.18 0.11 -1.26 -4.41 120.40 118.30 2dj4 s VAL 14 Ca 0.01 2.05 0.04 0.00 -2.93 0.00 0.00 61.98 61.15 2dj4 s VAL 14 Cb 0.02 -4.31 -0.05 0.00 -1.53 0.00 0.00 36.38 30.51 2dj4 s VAL 14 CO 0.10 0.31 0.07 -0.54 -3.33 0.00 0.00 175.10 171.72 2dj4 s LYS 15 N -0.01 1.80 -0.12 1.54 -0.14 -0.60 -4.94 119.74 117.27 2dj4 s LYS 15 Ca 0.47 -2.05 -0.09 0.00 -1.36 0.00 0.00 55.97 52.94 2dj4 s LYS 15 Cb -0.24 -0.87 0.04 0.00 -1.68 0.00 0.00 37.83 35.08 2dj4 s LYS 15 CO 0.30 -0.29 0.31 0.96 -0.76 0.00 0.00 175.35 175.87 2dj4 s ILE 16 N -3.21 -0.02 -0.04 2.17 -4.36 -1.26 -0.79 121.20 113.69 2dj4 s ILE 16 Ca 0.30 0.07 -0.01 0.00 -0.26 0.00 0.00 60.65 60.74 2dj4 s ILE 16 Cb 0.06 -0.45 0.03 0.00 1.25 0.00 0.00 42.46 43.35 2dj4 s ILE 16 CO 0.14 0.03 0.08 0.00 0.24 0.00 0.00 174.94 175.43 2dj4 s ALA 17 N 0.76 -0.08 0.00 2.27 0.00 -0.39 -4.99 121.76 119.32 2dj4 s ALA 17 Ca -0.05 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.39 2dj4 s ALA 17 Cb -0.06 -0.34 0.00 0.00 0.00 0.00 0.00 23.12 22.72 2dj4 s ALA 17 CO -0.05 -0.13 0.00 0.41 0.00 0.00 0.00 175.76 175.99 2dj4 n GLY 18 N 4.19 1.09 0.22 0.00 0.00 -1.26 -1.91 105.19 107.52 2dj4 n GLY 18 Ca -0.27 -0.95 -0.08 0.00 0.00 0.00 0.00 46.02 44.72 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 0.56 -0.85 1.61 0.13 -1.97 -3.00 132.00 128.48 2dj4 h PRO 19 Ca 0.00 -0.30 0.16 0.00 -0.87 0.00 0.00 66.00 64.99 2dj4 h PRO 19 Cb 0.00 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 31.04 2dj4 h PRO 19 CO 0.00 0.89 0.41 0.78 -0.23 0.00 0.00 178.00 179.85 2dj4 h GLY 20 N 1.06 1.38 1.92 1.56 0.00 -1.64 0.15 103.07 107.50 2dj4 h GLY 20 Ca 0.03 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.14 2dj4 h GLY 20 CO 0.08 -0.09 -0.08 1.41 0.00 0.00 0.00 176.54 177.87 2dj4 h LEU 21 N 0.56 0.00 -9.59 3.11 3.38 -1.81 -3.47 115.31 107.50 2dj4 h LEU 21 Ca 0.48 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 58.08 2dj4 h LEU 21 Cb 0.73 0.00 0.20 0.00 0.09 0.00 0.00 40.66 41.67 2dj4 h LEU 21 CO -0.40 0.00 -0.56 0.61 0.09 0.00 0.00 178.44 178.19 2dj4 n GLY 22 N 1.11 -2.70 0.05 0.83 0.00 0.52 -4.82 105.19 100.17 2dj4 n GLY 22 Ca 0.04 -1.01 0.12 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.73 0.64 -2.69 1.61 3.41 -1.26 -4.28 113.62 108.31 2dj4 n SER 23 Ca 0.05 0.01 -0.29 0.00 -0.26 0.00 0.00 58.87 58.37 2dj4 n SER 23 Cb 0.53 0.27 -0.05 0.00 -0.26 0.00 0.00 64.21 64.70 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 1.37 4.51 3.89 5.00 0.00 -1.26 -4.81 105.19 113.90 2dj4 n GLY 24 Ca 0.03 -1.91 -0.35 0.00 0.00 0.00 0.00 46.02 43.79 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 -1.97 5.46 0.10 1.61 1.01 -1.26 -5.02 120.40 120.34 2dj4 s VAL 25 Ca 0.58 -0.00 0.10 0.00 0.00 0.00 0.00 61.98 62.66 2dj4 s VAL 25 Cb 0.34 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.20 2dj4 s VAL 25 CO -0.19 0.45 -0.23 -0.13 0.00 0.00 0.00 175.10 174.99 2dj4 s ARG 26 N -1.57 1.65 0.62 2.72 0.52 -1.26 0.63 118.95 122.26 2dj4 s ARG 26 Ca 0.22 -1.22 -0.17 0.00 -0.52 0.00 0.00 55.73 54.04 2dj4 s ARG 26 Cb -0.12 -2.01 -0.02 0.00 0.52 0.00 0.00 34.95 33.32 2dj4 s ARG 26 CO 0.13 0.48 1.14 0.00 0.02 0.00 0.00 175.30 177.07 2dj4 s ALA 27 N -1.03 2.51 -1.41 2.13 0.00 0.21 -3.14 121.76 121.02 2dj4 s ALA 27 Ca 0.15 0.74 -0.07 0.00 0.00 0.00 0.00 51.96 52.79 2dj4 s ALA 27 Cb -0.10 -3.37 0.04 0.00 0.00 0.00 0.00 23.12 19.69 2dj4 s ALA 27 CO 0.07 -1.17 0.53 0.54 0.00 0.00 0.00 175.76 175.73 2dj4 n ARG 28 N -1.97 -4.07 -4.27 0.00 1.74 0.09 -4.35 116.66 103.82 2dj4 n ARG 28 Ca 0.12 0.69 -0.22 0.00 -0.77 0.00 0.00 57.85 57.66 2dj4 n ARG 28 Cb 0.51 -5.47 -0.12 0.00 -1.02 0.00 0.00 32.46 26.36 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 -3.04 1.49 -0.32 1.55 1.01 -1.19 -5.01 120.40 114.89 2dj4 s VAL 29 Ca 0.34 -1.42 -0.29 0.00 0.00 0.00 0.00 61.98 60.61 2dj4 s VAL 29 Cb -0.17 -1.37 -0.01 0.00 0.00 0.00 0.00 36.38 34.84 2dj4 s VAL 29 CO 0.42 -0.09 1.55 -0.22 0.00 0.00 0.00 175.10 176.76 2dj4 s LEU 30 N -1.77 3.69 -0.14 3.92 2.96 -1.26 -4.20 118.68 121.88 2dj4 s LEU 30 Ca 0.04 1.22 0.01 0.00 -0.22 0.00 0.00 54.13 55.17 2dj4 s LEU 30 Cb -0.10 -3.53 -0.00 0.00 0.50 0.00 0.00 46.19 43.05 2dj4 s LEU 30 CO 0.03 -1.41 -0.16 -1.10 -1.32 0.00 0.00 176.35 172.40 2dj4 s GLN 31 N 4.94 3.23 0.11 1.98 -1.52 0.48 -4.98 119.66 123.90 2dj4 s GLN 31 Ca 0.68 -0.75 -0.05 0.00 -1.95 0.00 0.00 55.36 53.29 2dj4 s GLN 31 Cb -0.19 -2.59 -0.02 0.00 -0.22 0.00 0.00 33.01 29.98 2dj4 s GLN 31 CO 0.31 0.07 0.13 0.45 -0.25 0.00 0.00 175.29 175.99 2dj4 s SER 32 N 0.68 0.24 0.27 5.90 0.15 -1.26 -0.43 113.70 119.24 2dj4 s SER 32 Ca -0.08 -0.96 -0.06 0.00 0.70 0.00 0.00 55.95 55.55 2dj4 s SER 32 Cb -0.16 0.32 0.03 0.00 -1.71 0.00 0.00 66.02 64.50 2dj4 s SER 32 CO 0.02 -0.74 0.47 2.22 1.20 0.00 0.00 173.24 176.41 2dj4 n PHE 33 N -0.07 -1.62 -5.13 3.44 -1.74 -1.13 -1.62 117.46 109.57 2dj4 n PHE 33 Ca -0.10 -1.48 -0.31 0.00 -0.56 0.00 0.00 57.45 55.00 2dj4 n PHE 33 Cb 0.63 0.54 -0.17 0.00 1.52 0.00 0.00 39.48 42.00 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 -2.51 1.97 -0.39 1.97 2.01 -0.80 -2.94 115.64 114.94 2dj4 s THR 34 Ca 0.15 -0.96 -0.07 0.00 0.31 0.00 0.00 61.69 61.12 2dj4 s THR 34 Cb -0.02 -1.71 0.07 0.00 0.01 0.00 0.00 72.50 70.85 2dj4 s THR 34 CO 0.11 0.54 0.20 -0.69 -0.69 0.00 0.00 174.62 174.09 2dj4 s VAL 35 N 0.39 3.93 -0.71 3.82 1.01 -0.34 -1.27 120.40 127.24 2dj4 s VAL 35 Ca -0.18 -1.42 -0.23 0.00 0.00 0.00 0.00 61.98 60.15 2dj4 s VAL 35 Cb -0.18 -3.39 0.07 0.00 0.00 0.00 0.00 36.38 32.88 2dj4 s VAL 35 CO 0.08 -0.43 1.05 -0.62 0.00 0.00 0.00 175.10 175.18 2dj4 s ASP 36 N 1.85 6.22 -0.31 3.32 2.15 0.03 -0.81 116.67 129.13 2dj4 s ASP 36 Ca 0.02 -0.99 0.08 0.00 0.43 0.00 0.00 52.55 52.09 2dj4 s ASP 36 Cb -0.22 -2.45 0.50 0.00 -0.30 0.00 0.00 42.92 40.45 2dj4 s ASP 36 CO 0.01 -1.48 1.46 -1.54 -0.17 0.00 0.00 175.17 173.45 2dj4 n SER 37 N 7.95 2.82 -0.02 -0.34 3.41 -1.15 -1.55 113.62 124.73 2dj4 n SER 37 Ca 0.01 -3.80 -0.17 0.00 -0.26 0.00 0.00 58.87 54.64 2dj4 n SER 37 Cb 0.46 -0.63 -0.08 0.00 -0.26 0.00 0.00 64.21 63.71 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 1.13 0.86 1.05 4.04 0.87 -1.80 -3.08 113.55 116.63 2dj4 h SER 38 Ca 0.25 -0.63 -0.07 0.00 -1.23 0.00 0.00 61.79 60.10 2dj4 h SER 38 Cb 1.60 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 63.29 2dj4 h SER 38 CO 0.46 1.36 -0.33 0.11 -0.53 0.00 0.00 176.83 177.89 2dj4 h LYS 39 N 0.43 0.00 -0.12 2.24 1.79 -1.83 -3.05 116.57 116.02 2dj4 h LYS 39 Ca -0.05 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.31 2dj4 h LYS 39 Cb 1.34 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.98 2dj4 h LYS 39 CO 0.15 0.33 -0.41 0.00 -1.08 0.00 0.00 179.45 178.43 2dj4 h ALA 40 N 1.67 1.07 0.00 3.86 0.00 -1.70 -3.43 119.26 120.73 2dj4 h ALA 40 Ca -0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2dj4 h ALA 40 Cb 0.95 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2dj4 h ALA 40 CO 0.04 0.60 0.00 0.41 0.00 0.00 0.00 179.25 180.30 2dj4 n GLY 41 N -0.15 0.35 1.24 0.00 0.00 -1.16 -0.20 105.19 105.27 2dj4 n GLY 41 Ca -0.02 -1.86 0.08 0.00 0.00 0.00 0.00 46.02 44.23 2dj4 n GLY 41 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dj4 n LEU 42 N 0.00 4.44 -4.80 0.99 7.99 -1.26 -4.63 117.00 119.73 2dj4 n LEU 42 Ca 0.00 -2.83 -0.33 0.00 -0.01 0.00 0.00 56.01 52.83 2dj4 n LEU 42 Cb 0.00 -0.56 -0.02 0.00 -0.11 0.00 0.00 43.42 42.73 2dj4 n LEU 42 CO 0.00 0.68 0.71 0.00 -1.51 0.00 0.00 177.39 177.28 2dj4 s ALA 43 N -2.52 2.85 0.95 -1.18 0.00 -1.26 -5.04 121.76 115.56 2dj4 s ALA 43 Ca 0.45 0.51 -0.12 0.00 0.00 0.00 0.00 51.96 52.81 2dj4 s ALA 43 Cb 0.34 -3.24 0.16 0.00 0.00 0.00 0.00 23.12 20.39 2dj4 s ALA 43 CO 0.13 -0.44 1.09 -1.25 0.00 0.00 0.00 175.76 175.30 2dj4 s PRO 44 N -3.52 0.78 0.04 0.00 0.04 -1.26 -4.84 135.00 126.24 2dj4 s PRO 44 Ca 0.66 0.65 0.08 0.00 0.04 0.00 0.00 61.00 62.43 2dj4 s PRO 44 Cb -0.16 -1.77 -0.03 0.00 0.04 0.00 0.00 34.50 32.59 2dj4 s PRO 44 CO 0.25 -2.52 -0.23 -1.17 0.04 0.00 0.00 177.00 173.37 2dj4 s LEU 45 N -6.36 2.16 0.02 -3.56 2.96 -1.26 -3.11 118.68 109.53 2dj4 s LEU 45 Ca 0.64 -0.54 0.04 0.00 -0.22 0.00 0.00 54.13 54.06 2dj4 s LEU 45 Cb -0.18 -1.09 -0.02 0.00 0.50 0.00 0.00 46.19 45.40 2dj4 s LEU 45 CO 0.57 0.20 -0.13 -0.70 -1.32 0.00 0.00 176.35 174.97 2dj4 s GLU 46 N -1.17 0.96 0.06 1.98 2.56 -0.80 -4.98 118.70 117.31 2dj4 s GLU 46 Ca 0.09 -0.65 0.02 0.00 0.00 0.00 0.00 54.97 54.43 2dj4 s GLU 46 Cb -0.09 -0.95 -0.03 0.00 2.00 0.00 0.00 34.13 35.06 2dj4 s GLU 46 CO 0.02 0.24 -0.07 0.08 -0.56 0.00 0.00 175.26 174.98 2dj4 s VAL 47 N -0.66 0.51 -0.12 3.70 1.01 -1.26 -0.90 120.40 122.68 2dj4 s VAL 47 Ca 0.03 -1.37 -0.22 0.00 0.00 0.00 0.00 61.98 60.41 2dj4 s VAL 47 Cb -0.07 -0.96 0.05 0.00 0.00 0.00 0.00 36.38 35.41 2dj4 s VAL 47 CO 0.01 -0.59 0.55 -0.13 0.00 0.00 0.00 175.10 174.93 2dj4 s ARG 48 N -2.42 0.78 -0.10 2.72 0.52 0.14 -4.82 118.95 115.77 2dj4 s ARG 48 Ca -0.03 0.42 0.02 0.00 -0.52 0.00 0.00 55.73 55.61 2dj4 s ARG 48 Cb -0.04 0.37 0.01 0.00 0.52 0.00 0.00 34.95 35.81 2dj4 s ARG 48 CO -0.02 -0.18 -0.15 0.08 0.02 0.00 0.00 175.30 175.05 2dj4 s VAL 49 N -0.50 1.45 -0.12 3.52 1.01 -1.25 0.43 120.40 124.93 2dj4 s VAL 49 Ca -0.06 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.33 2dj4 s VAL 49 Cb -0.03 -1.33 0.01 0.00 0.00 0.00 0.00 36.38 35.03 2dj4 s VAL 49 CO 0.04 0.43 -0.21 -0.76 0.00 0.00 0.00 175.10 174.61 2dj4 s LEU 50 N 0.95 2.01 1.23 3.92 1.02 -0.28 -2.64 118.68 124.89 2dj4 s LEU 50 Ca -0.08 -0.55 -0.19 0.00 0.02 0.00 0.00 54.13 53.34 2dj4 s LEU 50 Cb -0.15 -1.34 0.30 0.00 0.02 0.00 0.00 46.19 45.02 2dj4 s LEU 50 CO -0.01 0.09 1.07 -0.83 0.02 0.00 0.00 176.35 176.68 2dj4 s GLY 51 N 0.72 1.54 -0.01 -3.19 0.00 0.60 -1.91 107.32 105.08 2dj4 s GLY 51 Ca -0.10 -0.84 -0.25 0.00 0.00 0.00 0.00 44.72 43.53 2dj4 s GLY 51 CO 0.01 0.04 1.28 -0.56 0.00 0.00 0.00 173.10 173.88 2dj4 h PRO 52 N -2.71 0.07 -0.15 2.90 0.13 -1.90 -3.29 132.00 127.05 2dj4 h PRO 52 Ca -0.46 -0.04 -0.19 0.00 -0.87 0.00 0.00 66.00 64.44 2dj4 h PRO 52 Cb 1.31 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.44 2dj4 h PRO 52 CO 0.36 0.54 -0.67 0.00 -0.23 0.00 0.00 178.00 177.99 2dj4 h ARG 53 N -0.39 0.61 0.00 0.86 -0.00 -1.93 -3.47 114.38 110.06 2dj4 h ARG 53 Ca 0.00 -0.45 0.00 0.00 -0.50 0.00 0.00 59.98 59.04 2dj4 h ARG 53 Cb 0.52 0.08 0.00 0.00 0.00 0.00 0.00 29.97 30.57 2dj4 h ARG 53 CO 0.01 1.07 0.00 0.41 0.00 0.00 0.00 179.97 181.46 2dj4 n GLY 54 N 0.49 0.00 3.88 0.04 0.00 -1.24 -5.16 105.19 103.20 2dj4 n GLY 54 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 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 4.16 -0.15 0.99 2.96 -1.26 -4.83 118.68 120.54 2dj4 s LEU 55 Ca 0.00 0.87 -0.00 0.00 -0.22 0.00 0.00 54.13 54.78 2dj4 s LEU 55 Cb 0.00 -3.64 -0.01 0.00 0.50 0.00 0.00 46.19 43.04 2dj4 s LEU 55 CO 0.00 -0.08 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.13 2dj4 s VAL 56 N -1.85 2.90 0.00 1.68 1.01 -1.26 -0.29 120.40 122.60 2dj4 s VAL 56 Ca 0.46 -0.70 0.05 0.00 0.00 0.00 0.00 61.98 61.80 2dj4 s VAL 56 Cb -0.11 -2.23 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 2dj4 s VAL 56 CO 0.23 0.51 -0.17 -1.61 0.00 0.00 0.00 175.10 174.06 2dj4 s GLU 57 N 0.69 1.30 0.97 2.72 0.41 -1.08 -5.03 118.70 118.68 2dj4 s GLU 57 Ca -0.06 -0.68 -0.12 0.00 -0.41 0.00 0.00 54.97 53.70 2dj4 s GLU 57 Cb -0.15 -1.29 0.17 0.00 -1.78 0.00 0.00 34.13 31.08 2dj4 s GLU 57 CO 0.02 0.35 1.09 -1.25 -0.49 0.00 0.00 175.26 174.98 2dj4 s PRO 58 N -0.63 0.69 0.03 0.39 0.04 -1.26 -3.81 135.00 130.45 2dj4 s PRO 58 Ca 0.06 0.61 0.01 0.00 0.04 0.00 0.00 61.00 61.72 2dj4 s PRO 58 Cb -0.07 -1.76 -0.02 0.00 0.04 0.00 0.00 34.50 32.69 2dj4 s PRO 58 CO 0.00 -2.57 -0.05 0.08 0.04 0.00 0.00 177.00 174.50 2dj4 s VAL 59 N -2.96 0.28 -0.08 -0.36 1.01 -1.26 -4.84 120.40 112.19 2dj4 s VAL 59 Ca 0.65 -0.96 -0.12 0.00 0.00 0.00 0.00 61.98 61.55 2dj4 s VAL 59 Cb -0.18 -0.39 -0.05 0.00 0.00 0.00 0.00 36.38 35.76 2dj4 s VAL 59 CO 0.57 -0.44 0.29 0.21 0.00 0.00 0.00 175.10 175.73 2dj4 s ASN 60 N -1.48 6.58 -0.15 3.32 2.47 -0.95 -5.00 114.94 119.72 2dj4 s ASN 60 Ca -0.13 0.69 -0.02 0.00 0.42 0.00 0.00 52.86 53.81 2dj4 s ASN 60 Cb -0.10 -2.17 0.05 0.00 -1.45 0.00 0.00 41.25 37.58 2dj4 s ASN 60 CO -0.00 0.31 0.00 0.54 -3.72 0.00 0.00 177.10 174.23 2dj4 s VAL 61 N -0.73 0.62 -0.06 -5.21 0.11 -1.26 -3.56 120.40 110.32 2dj4 s VAL 61 Ca 0.19 -0.37 -0.01 0.00 -2.93 0.00 0.00 61.98 58.87 2dj4 s VAL 61 Cb -0.14 -0.94 0.03 0.00 -1.53 0.00 0.00 36.38 33.79 2dj4 s VAL 61 CO 0.08 0.02 -0.01 -0.69 -3.33 0.00 0.00 175.10 171.17 2dj4 s VAL 62 N 1.84 0.39 0.14 2.04 1.01 -0.84 -5.01 120.40 119.96 2dj4 s VAL 62 Ca 0.01 0.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.75 2dj4 s VAL 62 Cb -0.15 -0.50 -0.07 0.00 0.00 0.00 0.00 36.38 35.66 2dj4 s VAL 62 CO -0.07 0.24 1.06 -0.62 0.00 0.00 0.00 175.10 175.71 2dj4 s ASP 63 N 1.60 7.33 0.03 3.32 2.15 -1.26 -0.63 116.67 129.21 2dj4 s ASP 63 Ca -0.01 1.97 -0.17 0.00 0.43 0.00 0.00 52.55 54.77 2dj4 s ASP 63 Cb -0.13 -2.60 -0.26 0.00 -0.30 0.00 0.00 42.92 39.64 2dj4 s ASP 63 CO -0.03 -0.20 1.10 0.78 -0.17 0.00 0.00 175.17 176.65 2dj4 h ASN 64 N 5.49 0.72 0.00 -0.34 2.35 -1.76 -3.47 115.58 118.57 2dj4 h ASN 64 Ca -0.43 -0.79 0.00 0.00 -0.55 0.00 0.00 56.30 54.52 2dj4 h ASN 64 Cb 1.21 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 39.36 2dj4 h ASN 64 CO 0.73 1.43 0.00 0.61 -1.65 0.00 0.00 177.43 178.55 2dj4 n GLY 65 N 1.23 1.54 0.10 2.83 0.00 -1.26 -4.92 105.19 104.70 2dj4 n GLY 65 Ca -0.12 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.71 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 1.06 0.21 0.00 1.61 2.03 -2.03 -3.47 116.42 115.83 2dj4 h ASP 66 Ca 0.00 -0.85 0.00 0.00 -0.73 0.00 0.00 57.03 55.45 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 1.37 0.00 0.61 -1.03 0.00 0.00 179.24 180.19 2dj4 n GLY 67 N 1.63 0.00 3.39 7.15 0.00 -1.26 -5.03 105.19 111.07 2dj4 n GLY 67 Ca -0.20 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.95 115.64 109.69 2dj4 s THR 68 Ca 0.00 -1.77 -0.05 0.00 -1.18 0.00 0.00 61.69 58.68 2dj4 s THR 68 Cb 0.00 -2.56 0.06 0.00 1.34 0.00 0.00 72.50 71.33 2dj4 s THR 68 CO 0.00 0.00 0.27 -1.00 -0.54 0.00 0.00 174.62 173.35 2dj4 s HIS 69 N -3.32 -0.41 0.18 3.99 3.76 0.01 -1.88 115.29 117.62 2dj4 s HIS 69 Ca 0.35 0.93 -0.26 0.00 -0.15 0.00 0.00 55.06 55.93 2dj4 s HIS 69 Cb 0.01 0.03 -0.08 0.00 1.11 0.00 0.00 32.58 33.65 2dj4 s HIS 69 CO 0.22 -0.31 0.81 0.99 -0.85 0.00 0.00 174.74 175.60 2dj4 s THR 70 N 1.87 4.32 -0.25 1.30 2.01 0.20 -1.20 115.64 123.90 2dj4 s THR 70 Ca -0.04 1.78 -0.01 0.00 0.31 0.00 0.00 61.69 63.73 2dj4 s THR 70 Cb -0.11 -4.18 0.07 0.00 0.01 0.00 0.00 72.50 68.29 2dj4 s THR 70 CO -0.09 0.51 0.04 -0.69 -0.69 0.00 0.00 174.62 173.70 2dj4 s VAL 71 N -1.09 0.90 -0.02 3.82 1.01 -1.15 -1.99 120.40 121.87 2dj4 s VAL 71 Ca 0.37 -1.03 -0.03 0.00 0.00 0.00 0.00 61.98 61.29 2dj4 s VAL 71 Cb -0.24 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 2dj4 s VAL 71 CO 0.27 -0.36 0.17 0.42 0.00 0.00 0.00 175.10 175.61 2dj4 s THR 72 N 1.65 5.41 0.21 3.92 -4.23 -1.23 -2.85 115.64 118.53 2dj4 s THR 72 Ca 0.02 -0.13 -0.22 0.00 -1.18 0.00 0.00 61.69 60.18 2dj4 s THR 72 Cb -0.18 -3.51 0.06 0.00 1.34 0.00 0.00 72.50 70.22 2dj4 s THR 72 CO -0.14 0.36 0.94 -0.72 -0.54 0.00 0.00 174.62 174.51 2dj4 s TYR 73 N -1.29 -0.03 -0.23 3.99 1.13 0.42 -2.24 117.35 119.11 2dj4 s TYR 73 Ca 0.26 -0.38 -0.04 0.00 -1.41 0.00 0.00 57.07 55.49 2dj4 s TYR 73 Cb -0.13 0.70 0.12 0.00 -1.10 0.00 0.00 41.96 41.55 2dj4 s TYR 73 CO 0.17 -1.02 0.40 0.99 -2.51 0.00 0.00 175.55 173.58 2dj4 s THR 74 N -2.82 -0.64 -0.77 -3.49 2.01 -1.26 -0.39 115.64 108.27 2dj4 s THR 74 Ca 0.16 0.03 -0.25 0.00 0.31 0.00 0.00 61.69 61.94 2dj4 s THR 74 Cb -0.03 -0.76 -0.04 0.00 0.01 0.00 0.00 72.50 71.69 2dj4 s THR 74 CO 0.05 -0.04 1.91 -2.16 -0.69 0.00 0.00 174.62 173.70 2dj4 s PRO 75 N 2.59 2.58 0.26 4.92 0.04 -1.26 -4.85 135.00 139.28 2dj4 s PRO 75 Ca 0.07 0.11 -0.06 0.00 0.04 0.00 0.00 61.00 61.16 2dj4 s PRO 75 Cb -0.14 -4.77 0.44 0.00 0.04 0.00 0.00 34.50 30.08 2dj4 s PRO 75 CO -0.15 -3.10 1.41 0.43 0.04 0.00 0.00 177.00 175.63 2dj4 n SER 76 N 13.46 -0.30 -4.32 6.66 7.64 -1.26 -0.73 113.62 134.77 2dj4 n SER 76 Ca 0.32 1.55 -0.19 0.00 1.01 0.00 0.00 58.87 61.56 2dj4 n SER 76 Cb 0.49 -0.48 -0.10 0.00 -1.01 0.00 0.00 64.21 63.11 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 -6.11 1.25 0.85 1.43 -2.07 -1.26 -3.85 119.66 109.90 2dj4 s GLN 77 Ca -0.13 -1.49 -0.12 0.00 -1.82 0.00 0.00 55.36 51.79 2dj4 s GLN 77 Cb 0.25 -1.08 0.10 0.00 -1.09 0.00 0.00 33.01 31.19 2dj4 s GLN 77 CO 0.70 0.19 1.18 -1.83 -1.32 0.00 0.00 175.29 174.21 2dj4 s GLU 78 N -3.34 1.63 0.00 9.60 1.03 -1.26 -4.85 118.70 121.51 2dj4 s GLU 78 Ca 0.19 0.13 0.00 0.00 0.03 0.00 0.00 54.97 55.31 2dj4 s GLU 78 Cb -0.02 -1.91 0.00 0.00 -0.80 0.00 0.00 34.13 31.40 2dj4 s GLU 78 CO 0.06 -1.83 0.00 0.41 -1.33 0.00 0.00 175.26 172.57 2dj4 n GLY 79 N -3.02 1.92 3.57 -3.83 0.00 -0.97 -4.92 105.19 97.94 2dj4 n GLY 79 Ca 0.08 -2.03 -0.28 0.00 0.00 0.00 0.00 46.02 43.79 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 -1.49 2.51 0.89 1.61 0.04 -1.26 -0.71 135.00 136.58 2dj4 s PRO 80 Ca 0.00 -0.90 -0.13 0.00 0.04 0.00 0.00 61.00 60.01 2dj4 s PRO 80 Cb 0.00 -5.19 0.13 0.00 0.04 0.00 0.00 34.50 29.48 2dj4 s PRO 80 CO 0.00 -3.81 1.19 0.71 0.04 0.00 0.00 177.00 175.13 2dj4 s TYR 81 N 10.76 2.45 -0.10 0.56 1.51 0.22 -4.01 117.35 128.74 2dj4 s TYR 81 Ca 0.69 0.69 -0.04 0.00 -1.01 0.00 0.00 57.07 57.40 2dj4 s TYR 81 Cb -0.03 -3.58 0.05 0.00 -0.11 0.00 0.00 41.96 38.30 2dj4 s TYR 81 CO 0.09 -2.22 0.17 1.41 -1.11 0.00 0.00 175.55 173.89 2dj4 s MET 82 N -5.54 0.05 -0.50 -0.62 1.75 -0.80 -2.23 119.30 111.42 2dj4 s MET 82 Ca 0.65 0.54 -0.12 0.00 -1.25 0.00 0.00 55.69 55.51 2dj4 s MET 82 Cb -0.11 -0.36 0.12 0.00 2.84 0.00 0.00 34.83 37.33 2dj4 s MET 82 CO 0.51 -0.34 0.41 0.08 -0.65 0.00 0.00 175.02 175.03 2dj4 s VAL 83 N 2.30 4.60 0.13 10.11 1.01 0.09 -1.13 120.40 137.50 2dj4 s VAL 83 Ca 0.03 -1.70 -0.25 0.00 0.00 0.00 0.00 61.98 60.06 2dj4 s VAL 83 Cb -0.12 -3.99 -0.07 0.00 0.00 0.00 0.00 36.38 32.19 2dj4 s VAL 83 CO -0.07 -0.82 0.78 -0.55 0.00 0.00 0.00 175.10 174.45 2dj4 s SER 84 N 3.01 7.34 0.00 3.32 0.15 0.17 -0.95 113.70 126.74 2dj4 s SER 84 Ca 0.05 1.59 0.03 0.00 0.70 0.00 0.00 55.95 58.31 2dj4 s SER 84 Cb -0.27 -2.49 -0.01 0.00 -1.71 0.00 0.00 66.02 61.54 2dj4 s SER 84 CO 0.01 0.14 -0.08 -0.69 1.20 0.00 0.00 173.24 173.81 2dj4 s VAL 85 N -0.77 0.65 0.28 4.45 1.01 -1.26 0.24 120.40 125.00 2dj4 s VAL 85 Ca 0.37 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 61.92 2dj4 s VAL 85 Cb -0.22 -0.57 -0.06 0.00 0.00 0.00 0.00 36.38 35.53 2dj4 s VAL 85 CO 0.25 0.11 0.04 -0.75 0.00 0.00 0.00 175.10 174.75 2dj4 s LYS 86 N -0.39 1.49 -0.26 2.72 2.20 -0.08 -3.36 119.74 122.06 2dj4 s LYS 86 Ca 0.02 -1.80 -0.02 0.00 -0.36 0.00 0.00 55.97 53.81 2dj4 s LYS 86 Cb -0.04 -0.65 0.15 0.00 -1.51 0.00 0.00 37.83 35.78 2dj4 s LYS 86 CO -0.00 -0.18 0.44 -0.47 -0.36 0.00 0.00 175.35 174.78 2dj4 s TYR 87 N -3.44 -1.05 -1.13 4.03 5.04 -0.96 -1.91 117.35 117.95 2dj4 s TYR 87 Ca 0.34 0.98 -0.06 0.00 -2.44 0.00 0.00 57.07 55.90 2dj4 s TYR 87 Cb 0.07 0.13 0.01 0.00 0.35 0.00 0.00 41.96 42.52 2dj4 s TYR 87 CO 0.13 -0.79 0.98 0.00 -1.34 0.00 0.00 175.55 174.52 2dj4 n ALA 88 N 5.38 -1.28 -2.91 3.97 0.00 -1.18 -2.31 120.51 122.17 2dj4 n ALA 88 Ca -0.02 0.25 -0.19 0.00 0.00 0.00 0.00 53.44 53.47 2dj4 n ALA 88 Cb 0.50 -4.13 0.03 0.00 0.00 0.00 0.00 19.45 15.85 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 -2.49 -5.46 -3.46 0.00 9.92 -1.26 -4.99 116.55 108.82 2dj4 n ASP 89 Ca -0.06 -0.25 -0.19 0.00 -0.53 0.00 0.00 54.79 53.77 2dj4 n ASP 89 Cb 0.58 -4.29 -0.12 0.00 -0.64 0.00 0.00 41.12 36.65 2dj4 n ASP 89 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2dj4 s GLU 90 N -5.53 0.25 -0.13 -1.24 2.02 -0.98 -5.12 118.70 107.97 2dj4 s GLU 90 Ca 0.26 -0.00 -0.37 0.00 0.02 0.00 0.00 54.97 54.89 2dj4 s GLU 90 Cb -0.12 -0.96 -0.14 0.00 0.10 0.00 0.00 34.13 33.02 2dj4 s GLU 90 CO 0.33 -0.84 1.76 0.39 0.02 0.00 0.00 175.26 176.91 2dj4 n GLU 91 N 5.31 1.69 -1.38 1.61 1.02 -1.26 -2.25 120.64 125.37 2dj4 n GLU 91 Ca -0.04 0.62 -0.35 0.00 -0.02 0.00 0.00 57.16 57.37 2dj4 n GLU 91 Cb 0.47 -2.38 0.10 0.00 -0.02 0.00 0.00 31.44 29.62 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 4.57 3.33 0.98 -3.67 -5.35 -1.21 -4.85 119.36 113.16 2dj4 n ILE 92 Ca 0.23 -0.34 0.03 0.00 -0.27 0.00 0.00 62.75 62.40 2dj4 n ILE 92 Cb 0.22 -1.32 0.19 0.00 -1.74 0.00 0.00 39.64 36.98 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 -2.63 0.49 0.00 6.28 -0.04 -1.26 -1.75 135.00 136.10 2dj4 n PRO 93 Ca 0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 2dj4 n PRO 93 Cb 0.49 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.75 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 -0.70 2.61 -4.39 0.54 1.74 -1.26 -5.04 116.66 110.16 2dj4 n ARG 94 Ca 0.05 -1.38 -0.26 0.00 -0.77 0.00 0.00 57.85 55.49 2dj4 n ARG 94 Cb 0.02 -0.96 -0.12 0.00 -1.02 0.00 0.00 32.46 30.38 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 -0.88 3.20 1.18 0.55 0.15 -0.71 -4.23 113.70 112.95 2dj4 s SER 95 Ca 0.00 -0.84 -0.18 0.00 0.70 0.00 0.00 55.95 55.63 2dj4 s SER 95 Cb 0.00 -0.22 0.27 0.00 -1.71 0.00 0.00 66.02 64.36 2dj4 s SER 95 CO 0.00 0.09 1.11 -2.16 1.20 0.00 0.00 173.24 173.48 2dj4 s PRO 96 N -2.56 -1.01 -0.11 5.44 0.04 -1.26 -4.81 135.00 130.73 2dj4 s PRO 96 Ca 0.18 -0.00 0.01 0.00 0.04 0.00 0.00 61.00 61.22 2dj4 s PRO 96 Cb -0.08 -1.62 -0.02 0.00 0.04 0.00 0.00 34.50 32.83 2dj4 s PRO 96 CO 0.08 -3.58 -0.13 -0.06 0.04 0.00 0.00 177.00 173.35 2dj4 s PHE 97 N -3.01 2.79 -0.42 0.56 0.08 -0.12 -4.96 117.98 112.90 2dj4 s PHE 97 Ca 0.70 -0.54 -0.24 0.00 0.12 0.00 0.00 56.93 56.98 2dj4 s PHE 97 Cb -0.11 -1.80 0.02 0.00 -0.57 0.00 0.00 43.02 40.56 2dj4 s PHE 97 CO 0.56 -0.13 0.82 -1.59 -0.10 0.00 0.00 175.22 174.78 2dj4 s LYS 98 N 0.13 3.56 -0.32 0.44 -2.85 -1.26 -0.74 119.74 118.71 2dj4 s LYS 98 Ca -0.06 0.11 0.02 0.00 -1.00 0.00 0.00 55.97 55.04 2dj4 s LYS 98 Cb -0.15 -3.89 0.09 0.00 -2.06 0.00 0.00 37.83 31.83 2dj4 s LYS 98 CO 0.05 -1.04 0.04 0.08 0.10 0.00 0.00 175.35 174.57 2dj4 s VAL 99 N 3.33 1.85 -0.69 1.79 1.01 -0.94 -4.99 120.40 121.76 2dj4 s VAL 99 Ca 0.32 -1.96 -0.24 0.00 0.00 0.00 0.00 61.98 60.10 2dj4 s VAL 99 Cb -0.12 -2.32 0.05 0.00 0.00 0.00 0.00 36.38 33.99 2dj4 s VAL 99 CO 0.21 -0.53 1.08 -0.75 0.00 0.00 0.00 175.10 175.12 2dj4 s LYS 100 N 1.14 3.14 0.49 2.72 2.20 -1.26 -0.61 119.74 127.56 2dj4 s LYS 100 Ca 0.08 -0.60 -0.21 0.00 -0.36 0.00 0.00 55.97 54.87 2dj4 s LYS 100 Cb -0.19 -4.21 -0.07 0.00 -1.51 0.00 0.00 37.83 31.85 2dj4 s LYS 100 CO -0.12 -1.94 1.12 0.08 -0.36 0.00 0.00 175.35 174.13 2dj4 s VAL 101 N 4.70 3.32 0.20 4.02 1.01 0.11 -4.57 120.40 129.19 2dj4 s VAL 101 Ca 0.27 0.89 0.09 0.00 0.00 0.00 0.00 61.98 63.23 2dj4 s VAL 101 Cb -0.13 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 2dj4 s VAL 101 CO 0.12 -0.11 -0.07 -0.76 0.00 0.00 0.00 175.10 174.28 2dj4 s LEU 102 N -3.39 3.04 -0.06 3.92 1.43 0.20 -2.28 118.68 121.54 2dj4 s LEU 102 Ca 0.68 -0.58 -0.30 0.00 -1.03 0.00 0.00 54.13 52.90 2dj4 s LEU 102 Cb -0.24 -1.69 -0.05 0.00 0.03 0.00 0.00 46.19 44.24 2dj4 s LEU 102 CO 0.28 0.08 1.50 -2.16 0.23 0.00 0.00 176.35 176.28 2dj4 s PRO 103 N -3.00 4.22 0.33 1.29 0.04 -1.26 0.63 135.00 137.25 2dj4 s PRO 103 Ca 0.26 2.02 0.25 0.00 0.04 0.00 0.00 61.00 63.57 2dj4 s PRO 103 Cb -0.08 -3.81 1.08 0.00 0.04 0.00 0.00 34.50 31.73 2dj4 s PRO 103 CO 0.16 -0.74 1.10 2.41 0.04 0.00 0.00 177.00 179.98 2dj4 n THR 104 N 5.20 -0.14 -4.11 1.26 -1.04 -1.26 -4.19 114.28 109.99 2dj4 n THR 104 Ca 0.15 1.23 -0.25 0.00 -2.04 0.00 0.00 64.05 63.14 2dj4 n THR 104 Cb 0.43 -2.02 -0.05 0.00 -1.82 0.00 0.00 70.33 66.87 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 -4.67 3.09 -0.47 -1.42 1.51 -1.26 -5.00 117.35 109.12 2dj4 s TYR 105 Ca -0.05 -0.06 -0.02 0.00 -1.01 0.00 0.00 57.07 55.93 2dj4 s TYR 105 Cb 0.21 -1.46 0.12 0.00 -0.11 0.00 0.00 41.96 40.73 2dj4 s TYR 105 CO 0.59 0.52 0.26 -0.51 -1.11 0.00 0.00 175.55 175.30 2dj4 s ASP 106 N -3.30 5.15 -1.09 2.29 1.11 -1.26 -5.02 116.67 114.55 2dj4 s ASP 106 Ca 0.31 -2.32 -0.24 0.00 0.18 0.00 0.00 52.55 50.48 2dj4 s ASP 106 Cb -0.09 -1.81 -0.10 0.00 1.07 0.00 0.00 42.92 41.99 2dj4 s ASP 106 CO 0.23 -0.47 1.99 0.00 1.18 0.00 0.00 175.17 178.10 2dj4 s ALA 107 N 0.71 1.53 -2.64 5.23 0.00 -1.26 -5.22 121.76 120.12 2dj4 s ALA 107 Ca 0.11 -1.85 0.27 0.00 0.00 0.00 0.00 51.96 50.49 2dj4 s ALA 107 Cb -0.22 -4.65 0.82 0.00 0.00 0.00 0.00 23.12 19.07 2dj4 s ALA 107 CO -0.04 -5.41 1.61 -1.13 0.00 0.00 0.00 175.76 170.79