#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 -1.03 0.60 1.61 1.04 -1.26 -5.15 113.70 109.50 2dj4 s SER 2 Ca 0.00 1.54 -0.20 0.00 0.48 0.00 0.00 55.95 57.78 2dj4 s SER 2 Cb 0.00 1.76 -0.03 0.00 0.10 0.00 0.00 66.02 67.85 2dj4 s SER 2 CO 0.00 -0.23 1.31 -0.44 0.98 0.00 0.00 173.24 174.85 2dj4 s SER 3 N 2.15 4.96 0.00 7.02 0.01 -1.26 -4.82 113.70 121.76 2dj4 s SER 3 Ca -0.08 2.65 0.00 0.00 1.31 0.00 0.00 55.95 59.82 2dj4 s SER 3 Cb -0.08 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.53 2dj4 s SER 3 CO -0.20 -1.77 0.00 0.61 0.41 0.00 0.00 173.24 172.30 2dj4 n GLY 4 N 0.78 -0.22 3.83 3.44 0.00 -1.26 -5.11 105.19 106.65 2dj4 n GLY 4 Ca 0.13 -0.36 -0.38 0.00 0.00 0.00 0.00 46.02 45.42 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 -4.00 6.70 -0.88 1.61 0.15 -1.26 -5.00 113.70 111.01 2dj4 s SER 5 Ca 0.00 0.83 -0.25 0.00 0.70 0.00 0.00 55.95 57.23 2dj4 s SER 5 Cb 0.00 -2.22 -0.05 0.00 -1.71 0.00 0.00 66.02 62.05 2dj4 s SER 5 CO 0.00 0.30 1.96 -0.55 1.20 0.00 0.00 173.24 176.15 2dj4 s SER 6 N -0.84 5.11 -0.99 5.45 0.15 -1.26 -4.86 113.70 116.47 2dj4 s SER 6 Ca 0.22 -0.60 -0.02 0.00 0.70 0.00 0.00 55.95 56.25 2dj4 s SER 6 Cb -0.15 -2.56 0.30 0.00 -1.71 0.00 0.00 66.02 61.90 2dj4 s SER 6 CO 0.11 -2.76 1.36 0.61 1.20 0.00 0.00 173.24 173.76 2dj4 n GLY 7 N 6.79 5.17 3.06 9.45 0.00 -1.26 -4.99 105.19 123.42 2dj4 n GLY 7 Ca 0.39 -2.69 -0.18 0.00 0.00 0.00 0.00 46.02 43.55 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 -2.85 0.79 -0.13 1.61 0.11 -1.26 -5.15 120.40 113.52 2dj4 s VAL 8 Ca 0.33 -0.69 -0.03 0.00 -2.93 0.00 0.00 61.98 58.66 2dj4 s VAL 8 Cb 0.08 -0.71 -0.03 0.00 -1.53 0.00 0.00 36.38 34.19 2dj4 s VAL 8 CO 0.07 0.03 -0.03 -0.69 -3.33 0.00 0.00 175.10 171.15 2dj4 s VAL 9 N -0.62 4.04 -0.35 2.04 1.01 -1.26 -4.70 120.40 120.56 2dj4 s VAL 9 Ca 0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 61.98 61.66 2dj4 s VAL 9 Cb -0.06 -2.74 0.11 0.00 0.00 0.00 0.00 36.38 33.70 2dj4 s VAL 9 CO 0.00 0.53 0.15 -0.62 0.00 0.00 0.00 175.10 175.17 2dj4 s ASP 10 N -0.12 3.77 0.00 3.32 2.15 0.60 -4.97 116.67 121.43 2dj4 s ASP 10 Ca 0.03 -1.96 0.15 0.00 0.43 0.00 0.00 52.55 51.20 2dj4 s ASP 10 Cb -0.13 -0.83 0.90 0.00 -0.30 0.00 0.00 42.92 42.56 2dj4 s ASP 10 CO 0.02 -0.36 1.34 -0.81 -0.17 0.00 0.00 175.17 175.20 2dj4 n PRO 11 N 4.40 0.44 -0.29 4.34 -0.04 -1.26 -2.02 135.00 140.57 2dj4 n PRO 11 Ca 0.02 0.02 0.12 0.00 -0.04 0.00 0.00 63.50 63.62 2dj4 n PRO 11 Cb 0.39 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.63 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 -1.04 3.75 -0.01 3.54 3.41 -1.26 -4.06 113.62 117.94 2dj4 n SER 12 Ca 0.11 -2.00 0.04 0.00 -0.26 0.00 0.00 58.87 56.76 2dj4 n SER 12 Cb 0.06 -0.38 -0.04 0.00 -0.26 0.00 0.00 64.21 63.59 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 1.60 4.11 -2.87 4.33 4.76 -0.86 -4.93 118.16 124.30 2dj4 n LYS 13 Ca 0.22 -0.04 -0.42 0.00 -2.87 0.00 0.00 58.31 55.21 2dj4 n LYS 13 Cb 0.62 -0.90 -0.04 0.00 -1.84 0.00 0.00 35.03 32.87 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 -1.75 4.85 0.46 -0.18 0.11 -1.26 -4.41 120.40 118.22 2dj4 s VAL 14 Ca 0.03 1.63 0.05 0.00 -2.93 0.00 0.00 61.98 60.77 2dj4 s VAL 14 Cb 0.06 -4.14 -0.04 0.00 -1.53 0.00 0.00 36.38 30.73 2dj4 s VAL 14 CO 0.33 -0.03 0.07 -0.54 -3.33 0.00 0.00 175.10 171.60 2dj4 s LYS 15 N 2.53 2.11 -0.10 1.54 1.02 -0.50 -4.89 119.74 121.45 2dj4 s LYS 15 Ca 0.37 -2.16 -0.07 0.00 0.02 0.00 0.00 55.97 54.13 2dj4 s LYS 15 Cb -0.16 -1.70 0.03 0.00 -0.52 0.00 0.00 37.83 35.49 2dj4 s LYS 15 CO 0.10 -0.22 0.25 0.96 -0.92 0.00 0.00 175.35 175.52 2dj4 s ILE 16 N -2.76 -0.02 0.04 2.17 -4.36 -1.26 -0.47 121.20 114.55 2dj4 s ILE 16 Ca 0.25 0.06 -0.03 0.00 -0.26 0.00 0.00 60.65 60.68 2dj4 s ILE 16 Cb 0.05 -0.37 -0.02 0.00 1.25 0.00 0.00 42.46 43.37 2dj4 s ILE 16 CO 0.14 0.02 0.02 0.00 0.24 0.00 0.00 174.94 175.36 2dj4 s ALA 17 N 0.60 0.21 0.00 2.27 0.00 -0.12 -4.99 121.76 119.74 2dj4 s ALA 17 Ca -0.04 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.07 2dj4 s ALA 17 Cb -0.05 0.26 0.00 0.00 0.00 0.00 0.00 23.12 23.33 2dj4 s ALA 17 CO -0.03 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 175.81 2dj4 n GLY 18 N 0.58 1.42 0.20 0.00 0.00 -1.26 -0.25 105.19 105.87 2dj4 n GLY 18 Ca -0.17 -1.79 -0.05 0.00 0.00 0.00 0.00 46.02 44.01 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 0.36 -0.23 1.61 0.13 -1.95 -2.28 132.00 129.64 2dj4 h PRO 19 Ca 0.00 -0.19 0.07 0.00 -0.87 0.00 0.00 66.00 65.01 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 0.74 0.37 0.78 -0.23 0.00 0.00 178.00 179.67 2dj4 h GLY 20 N 1.21 0.00 0.00 1.56 0.00 -1.80 -0.49 103.07 103.55 2dj4 h GLY 20 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 2dj4 h GLY 20 CO 0.08 0.00 -1.51 1.04 0.00 0.00 0.00 176.54 176.14 2dj4 n LEU 21 N -3.40 0.00 -4.52 3.11 4.77 -1.14 -4.92 117.00 110.90 2dj4 n LEU 21 Ca 0.03 -0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.72 2dj4 n LEU 21 Cb 0.49 0.00 0.24 0.00 -2.33 0.00 0.00 43.42 41.82 2dj4 n LEU 21 CO 0.22 0.00 0.53 0.61 -1.33 0.00 0.00 177.39 177.42 2dj4 n GLY 22 N 1.86 -1.63 0.24 -0.72 0.00 -0.19 -4.87 105.19 99.88 2dj4 n GLY 22 Ca -0.02 -1.06 0.01 0.00 0.00 0.00 0.00 46.02 44.95 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 -4.76 0.65 -2.34 1.61 7.64 -1.26 -3.89 113.62 111.27 2dj4 n SER 23 Ca 0.05 -2.01 -0.30 0.00 1.01 0.00 0.00 58.87 57.61 2dj4 n SER 23 Cb 0.53 -0.12 0.04 0.00 -1.01 0.00 0.00 64.21 63.65 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 0.58 6.04 3.84 0.23 0.00 -1.26 -4.96 105.19 109.66 2dj4 n GLY 24 Ca 0.03 -2.55 -0.34 0.00 0.00 0.00 0.00 46.02 43.16 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 -4.92 5.14 0.17 1.61 1.01 -1.25 -5.02 120.40 117.13 2dj4 s VAL 25 Ca 0.55 -0.15 0.09 0.00 0.00 0.00 0.00 61.98 62.46 2dj4 s VAL 25 Cb 0.44 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.46 2dj4 s VAL 25 CO -0.09 0.43 -0.18 -0.13 0.00 0.00 0.00 175.10 175.13 2dj4 s ARG 26 N -1.56 1.30 0.52 2.72 0.52 -1.26 -0.55 118.95 120.64 2dj4 s ARG 26 Ca 0.22 -1.43 -0.20 0.00 -0.52 0.00 0.00 55.73 53.80 2dj4 s ARG 26 Cb -0.12 -1.36 -0.07 0.00 0.52 0.00 0.00 34.95 33.92 2dj4 s ARG 26 CO 0.12 0.28 1.08 0.00 0.02 0.00 0.00 175.30 176.79 2dj4 s ALA 27 N -2.08 2.79 -1.46 2.13 0.00 0.18 -3.44 121.76 119.88 2dj4 s ALA 27 Ca 0.17 0.69 -0.09 0.00 0.00 0.00 0.00 51.96 52.73 2dj4 s ALA 27 Cb -0.06 -3.30 0.03 0.00 0.00 0.00 0.00 23.12 19.80 2dj4 s ALA 27 CO 0.07 -0.54 0.86 0.54 0.00 0.00 0.00 175.76 176.69 2dj4 n ARG 28 N -1.18 -5.86 -4.18 0.00 1.74 0.14 -4.32 116.66 103.00 2dj4 n ARG 28 Ca 0.10 0.77 -0.16 0.00 -0.77 0.00 0.00 57.85 57.78 2dj4 n ARG 28 Cb 0.52 -5.68 -0.12 0.00 -1.02 0.00 0.00 32.46 26.15 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 -3.22 0.82 -0.26 1.55 1.01 -1.22 -5.02 120.40 114.06 2dj4 s VAL 29 Ca 0.49 -1.02 -0.29 0.00 0.00 0.00 0.00 61.98 61.16 2dj4 s VAL 29 Cb -0.23 -0.80 -0.02 0.00 0.00 0.00 0.00 36.38 35.33 2dj4 s VAL 29 CO 0.60 -0.19 1.68 -0.22 0.00 0.00 0.00 175.10 176.98 2dj4 s LEU 30 N -1.34 3.76 -0.10 3.92 2.96 -1.26 -4.21 118.68 122.41 2dj4 s LEU 30 Ca -0.04 1.51 0.03 0.00 -0.22 0.00 0.00 54.13 55.42 2dj4 s LEU 30 Cb -0.09 -3.53 -0.01 0.00 0.50 0.00 0.00 46.19 43.07 2dj4 s LEU 30 CO 0.01 -1.41 -0.20 -1.10 -1.32 0.00 0.00 176.35 172.33 2dj4 s GLN 31 N 5.02 3.09 0.01 1.98 -1.52 0.90 -4.99 119.66 124.16 2dj4 s GLN 31 Ca 0.75 -0.81 -0.07 0.00 -1.95 0.00 0.00 55.36 53.27 2dj4 s GLN 31 Cb -0.24 -2.40 0.00 0.00 -0.22 0.00 0.00 33.01 30.15 2dj4 s GLN 31 CO 0.31 0.23 0.14 0.45 -0.25 0.00 0.00 175.29 176.17 2dj4 s SER 32 N 0.25 0.04 0.30 5.90 0.15 -1.26 0.51 113.70 119.60 2dj4 s SER 32 Ca -0.14 -0.25 0.04 0.00 0.70 0.00 0.00 55.95 56.29 2dj4 s SER 32 Cb -0.17 0.21 -0.03 0.00 -1.71 0.00 0.00 66.02 64.33 2dj4 s SER 32 CO 0.07 -0.40 0.28 0.72 1.20 0.00 0.00 173.24 175.11 2dj4 s PHE 33 N -1.62 1.49 -0.06 3.44 -0.71 -1.07 -2.32 117.98 117.14 2dj4 s PHE 33 Ca -0.13 -1.52 0.06 0.00 -1.04 0.00 0.00 56.93 54.30 2dj4 s PHE 33 Cb -0.06 -0.56 -0.01 0.00 -1.21 0.00 0.00 43.02 41.17 2dj4 s PHE 33 CO 0.01 -0.86 -0.24 0.99 -1.34 0.00 0.00 175.22 173.77 2dj4 s THR 34 N -3.56 2.15 -0.35 -4.49 2.01 0.65 -2.14 115.64 109.91 2dj4 s THR 34 Ca 0.38 -1.04 -0.03 0.00 0.31 0.00 0.00 61.69 61.32 2dj4 s THR 34 Cb 0.03 -1.78 0.07 0.00 0.01 0.00 0.00 72.50 70.83 2dj4 s THR 34 CO 0.23 0.57 0.10 -0.69 -0.69 0.00 0.00 174.62 174.14 2dj4 s VAL 35 N -0.23 3.24 -0.62 3.82 1.01 0.75 -0.94 120.40 127.44 2dj4 s VAL 35 Ca -0.02 -1.61 -0.25 0.00 0.00 0.00 0.00 61.98 60.11 2dj4 s VAL 35 Cb -0.13 -3.00 0.05 0.00 0.00 0.00 0.00 36.38 33.29 2dj4 s VAL 35 CO 0.03 -0.35 1.04 -0.62 0.00 0.00 0.00 175.10 175.19 2dj4 s ASP 36 N 1.51 6.28 -0.20 3.32 2.15 0.38 -1.31 116.67 128.79 2dj4 s ASP 36 Ca 0.01 -0.48 0.14 0.00 0.43 0.00 0.00 52.55 52.64 2dj4 s ASP 36 Cb -0.21 -2.47 0.42 0.00 -0.30 0.00 0.00 42.92 40.37 2dj4 s ASP 36 CO -0.02 -1.42 1.29 -1.54 -0.17 0.00 0.00 175.17 173.32 2dj4 n SER 37 N 7.98 2.40 0.13 -0.34 3.41 -1.22 -1.41 113.62 124.56 2dj4 n SER 37 Ca 0.01 -3.52 -0.02 0.00 -0.26 0.00 0.00 58.87 55.09 2dj4 n SER 37 Cb 0.47 -0.53 0.13 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 0.84 0.00 0.26 4.04 4.64 -1.83 -2.89 113.55 118.61 2dj4 h SER 38 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2dj4 h SER 38 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2dj4 h SER 38 CO 0.13 0.67 -0.28 0.29 -0.87 0.00 0.00 176.83 176.77 2dj4 n LYS 39 N -3.71 0.77 -0.00 4.77 4.76 -1.26 -3.93 118.16 119.56 2dj4 n LYS 39 Ca -0.01 -0.45 -0.15 0.00 -2.87 0.00 0.00 58.31 54.83 2dj4 n LYS 39 Cb 0.66 -1.49 -0.14 0.00 -1.84 0.00 0.00 35.03 32.22 2dj4 n LYS 39 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2dj4 h ALA 40 N 3.62 0.58 0.00 7.82 0.00 -1.68 -3.43 119.26 126.16 2dj4 h ALA 40 Ca 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 54.91 53.52 2dj4 h ALA 40 Cb 0.51 0.55 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2dj4 h ALA 40 CO 0.00 1.43 0.00 0.41 0.00 0.00 0.00 179.25 181.09 2dj4 n GLY 41 N 1.74 0.31 0.27 0.00 0.00 -1.13 -0.29 105.19 106.09 2dj4 n GLY 41 Ca -0.23 -1.50 0.09 0.00 0.00 0.00 0.00 46.02 44.38 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 2.68 -4.82 0.99 -0.00 -1.26 -4.69 117.00 109.89 2dj4 n LEU 42 Ca 0.00 -3.16 -0.33 0.00 -0.00 0.00 0.00 56.01 52.53 2dj4 n LEU 42 Cb 0.00 -0.46 -0.05 0.00 -0.00 0.00 0.00 43.42 42.90 2dj4 n LEU 42 CO 0.00 0.77 0.67 0.00 -0.00 0.00 0.00 177.39 178.83 2dj4 s ALA 43 N -2.91 3.02 0.99 1.47 0.00 -1.26 -5.05 121.76 118.02 2dj4 s ALA 43 Ca 0.34 0.36 -0.12 0.00 0.00 0.00 0.00 51.96 52.54 2dj4 s ALA 43 Cb 0.30 -3.15 0.18 0.00 0.00 0.00 0.00 23.12 20.45 2dj4 s ALA 43 CO 0.03 -0.04 1.09 -1.25 0.00 0.00 0.00 175.76 175.59 2dj4 s PRO 44 N -3.46 0.50 -0.03 0.00 0.04 -1.26 -4.83 135.00 125.97 2dj4 s PRO 44 Ca 0.62 0.56 0.02 0.00 0.04 0.00 0.00 61.00 62.24 2dj4 s PRO 44 Cb -0.10 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.70 2dj4 s PRO 44 CO 0.19 -2.69 -0.09 -1.17 0.04 0.00 0.00 177.00 173.28 2dj4 s LEU 45 N -6.44 1.77 0.15 -3.56 2.96 -1.26 -3.12 118.68 109.18 2dj4 s LEU 45 Ca 0.65 -0.19 0.07 0.00 -0.22 0.00 0.00 54.13 54.44 2dj4 s LEU 45 Cb -0.19 -0.57 -0.04 0.00 0.50 0.00 0.00 46.19 45.90 2dj4 s LEU 45 CO 0.58 0.06 -0.05 -0.70 -1.32 0.00 0.00 176.35 174.92 2dj4 s GLU 46 N 0.23 2.25 -0.02 1.98 2.12 -0.73 -4.95 118.70 119.57 2dj4 s GLU 46 Ca -0.04 -1.11 0.00 0.00 0.36 0.00 0.00 54.97 54.19 2dj4 s GLU 46 Cb -0.09 -2.30 0.02 0.00 0.26 0.00 0.00 34.13 32.01 2dj4 s GLU 46 CO 0.01 0.47 0.00 0.08 -0.54 0.00 0.00 175.26 175.28 2dj4 s VAL 47 N -1.55 0.09 -0.02 3.70 1.01 -1.26 -2.29 120.40 120.09 2dj4 s VAL 47 Ca 0.25 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.31 2dj4 s VAL 47 Cb -0.10 -0.17 0.02 0.00 0.00 0.00 0.00 36.38 36.13 2dj4 s VAL 47 CO 0.16 0.10 0.01 -0.13 0.00 0.00 0.00 175.10 175.24 2dj4 s ARG 48 N 0.72 0.10 -0.18 2.72 0.52 0.60 -4.85 118.95 118.58 2dj4 s ARG 48 Ca -0.07 0.09 -0.00 0.00 -0.52 0.00 0.00 55.73 55.23 2dj4 s ARG 48 Cb -0.10 -0.27 0.01 0.00 0.52 0.00 0.00 34.95 35.11 2dj4 s ARG 48 CO -0.02 -0.11 -0.15 0.08 0.02 0.00 0.00 175.30 175.13 2dj4 s VAL 49 N 0.75 2.52 -0.12 3.52 1.01 -1.26 1.00 120.40 127.82 2dj4 s VAL 49 Ca -0.07 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.14 2dj4 s VAL 49 Cb -0.10 -2.09 -0.01 0.00 0.00 0.00 0.00 36.38 34.19 2dj4 s VAL 49 CO -0.02 0.50 -0.18 -0.76 0.00 0.00 0.00 175.10 174.65 2dj4 s LEU 50 N 1.23 2.41 1.10 3.92 1.43 0.19 -3.16 118.68 125.81 2dj4 s LEU 50 Ca 0.03 -0.45 -0.16 0.00 -1.03 0.00 0.00 54.13 52.51 2dj4 s LEU 50 Cb -0.14 -1.52 0.24 0.00 0.03 0.00 0.00 46.19 44.80 2dj4 s LEU 50 CO -0.07 0.15 1.13 -0.83 0.23 0.00 0.00 176.35 176.95 2dj4 s GLY 51 N 0.42 1.59 0.28 -3.19 0.00 -0.16 -1.40 107.32 104.86 2dj4 s GLY 51 Ca -0.13 -0.79 0.06 0.00 0.00 0.00 0.00 44.72 43.86 2dj4 s GLY 51 CO 0.06 -0.01 1.66 -0.56 0.00 0.00 0.00 173.10 174.25 2dj4 h PRO 52 N -2.22 0.25 0.00 2.90 0.13 -1.91 -3.17 132.00 127.98 2dj4 h PRO 52 Ca -0.48 -0.13 -0.19 0.00 -0.87 0.00 0.00 66.00 64.33 2dj4 h PRO 52 Cb 1.30 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.40 2dj4 h PRO 52 CO 0.43 0.67 -1.68 0.54 -0.23 0.00 0.00 178.00 177.73 2dj4 n ARG 53 N -3.98 0.64 0.00 0.86 3.00 -1.26 -4.96 116.66 110.96 2dj4 n ARG 53 Ca -0.02 0.13 0.00 0.00 -0.01 0.00 0.00 57.85 57.95 2dj4 n ARG 53 Cb 0.52 -1.72 0.00 0.00 0.00 0.00 0.00 32.46 31.26 2dj4 n ARG 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2dj4 n GLY 54 N 1.45 0.92 3.79 -0.13 0.00 -1.20 -5.14 105.19 104.88 2dj4 n GLY 54 Ca -0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 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 3.90 -0.28 0.99 2.96 -1.26 -4.74 118.68 120.25 2dj4 s LEU 55 Ca 0.00 2.00 -0.03 0.00 -0.22 0.00 0.00 54.13 55.88 2dj4 s LEU 55 Cb 0.00 -4.47 0.03 0.00 0.50 0.00 0.00 46.19 42.25 2dj4 s LEU 55 CO 0.00 -0.79 -0.01 -0.69 -1.32 0.00 0.00 176.35 173.54 2dj4 s VAL 56 N -1.87 3.13 -0.03 1.68 1.01 -1.26 -0.98 120.40 122.07 2dj4 s VAL 56 Ca 0.66 -1.11 0.04 0.00 0.00 0.00 0.00 61.98 61.56 2dj4 s VAL 56 Cb -0.19 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.48 2dj4 s VAL 56 CO 0.23 0.05 -0.12 -1.61 0.00 0.00 0.00 175.10 173.65 2dj4 s GLU 57 N 1.33 2.49 1.13 2.72 0.41 -1.19 -5.06 118.70 120.53 2dj4 s GLU 57 Ca -0.02 -0.72 -0.17 0.00 -0.41 0.00 0.00 54.97 53.66 2dj4 s GLU 57 Cb -0.18 -2.41 0.25 0.00 -1.78 0.00 0.00 34.13 30.01 2dj4 s GLU 57 CO -0.02 0.61 1.10 -1.25 -0.49 0.00 0.00 175.26 175.22 2dj4 s PRO 58 N -0.99 -0.66 0.11 0.39 0.04 -1.26 -4.17 135.00 128.47 2dj4 s PRO 58 Ca 0.13 0.14 -0.06 0.00 0.04 0.00 0.00 61.00 61.25 2dj4 s PRO 58 Cb -0.11 -1.64 -0.02 0.00 0.04 0.00 0.00 34.50 32.77 2dj4 s PRO 58 CO 0.03 -3.38 0.15 0.14 0.04 0.00 0.00 177.00 173.98 2dj4 s VAL 59 N -2.99 0.12 0.05 -0.36 -7.23 -1.26 -4.87 120.40 103.87 2dj4 s VAL 59 Ca 0.69 -1.52 0.09 0.00 -1.81 0.00 0.00 61.98 59.43 2dj4 s VAL 59 Cb -0.13 -1.69 -0.03 0.00 0.56 0.00 0.00 36.38 35.09 2dj4 s VAL 59 CO 0.57 -0.56 -0.25 0.21 -0.31 0.00 0.00 175.10 174.75 2dj4 s ASN 60 N -2.95 3.27 -0.09 4.85 2.47 -1.10 -5.01 114.94 116.38 2dj4 s ASN 60 Ca 0.13 -0.59 -0.01 0.00 0.42 0.00 0.00 52.86 52.82 2dj4 s ASN 60 Cb 0.06 -0.32 0.03 0.00 -1.45 0.00 0.00 41.25 39.56 2dj4 s ASN 60 CO -0.05 0.25 -0.04 0.54 -3.72 0.00 0.00 177.10 174.09 2dj4 s VAL 61 N -0.85 0.71 -0.07 -5.21 0.11 -1.26 -3.68 120.40 110.14 2dj4 s VAL 61 Ca 0.12 -0.09 -0.00 0.00 -2.93 0.00 0.00 61.98 59.08 2dj4 s VAL 61 Cb -0.10 -0.79 0.03 0.00 -1.53 0.00 0.00 36.38 33.98 2dj4 s VAL 61 CO 0.03 0.31 -0.03 -0.69 -3.33 0.00 0.00 175.10 171.39 2dj4 s VAL 62 N 1.79 0.59 -0.08 2.04 1.01 -0.15 -4.99 120.40 120.61 2dj4 s VAL 62 Ca 0.04 -0.05 -0.28 0.00 0.00 0.00 0.00 61.98 61.69 2dj4 s VAL 62 Cb -0.12 -0.68 -0.02 0.00 0.00 0.00 0.00 36.38 35.55 2dj4 s VAL 62 CO -0.06 0.28 0.90 -0.62 0.00 0.00 0.00 175.10 175.60 2dj4 s ASP 63 N 1.62 7.17 -0.01 3.32 2.15 -1.26 -0.05 116.67 129.62 2dj4 s ASP 63 Ca 0.01 1.43 -0.23 0.00 0.43 0.00 0.00 52.55 54.18 2dj4 s ASP 63 Cb -0.13 -2.51 -0.19 0.00 -0.30 0.00 0.00 42.92 39.79 2dj4 s ASP 63 CO -0.04 -0.32 1.22 0.78 -0.17 0.00 0.00 175.17 176.63 2dj4 h ASN 64 N 7.00 0.22 0.00 -0.34 2.35 -1.79 -3.48 115.58 119.54 2dj4 h ASN 64 Ca -0.35 -0.58 0.00 0.00 -0.55 0.00 0.00 56.30 54.82 2dj4 h ASN 64 Cb 1.17 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.48 2dj4 h ASN 64 CO 0.80 0.76 0.00 0.61 -1.65 0.00 0.00 177.43 177.96 2dj4 n GLY 65 N 0.48 2.03 0.13 2.83 0.00 -1.26 -4.93 105.19 104.47 2dj4 n GLY 65 Ca -0.08 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.76 2dj4 n GLY 65 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dj4 n ASP 66 N 0.00 1.77 0.00 1.61 8.00 -1.26 -4.96 116.55 121.71 2dj4 n ASP 66 Ca 0.00 0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.57 2dj4 n ASP 66 Cb 0.00 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 40.66 2dj4 n ASP 66 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dj4 n GLY 67 N 2.04 0.00 3.62 0.44 0.00 -1.26 -5.03 105.19 105.00 2dj4 n GLY 67 Ca -0.36 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.09 2.61 -4.23 -1.26 -3.40 115.64 109.26 2dj4 s THR 68 Ca 0.00 -1.36 -0.05 0.00 -1.18 0.00 0.00 61.69 59.10 2dj4 s THR 68 Cb 0.00 -2.57 0.04 0.00 1.34 0.00 0.00 72.50 71.31 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 -3.12 -0.29 0.00 3.99 0.09 -0.42 -2.03 115.29 113.52 2dj4 s HIS 69 Ca 0.24 0.71 -0.15 0.00 -0.00 0.00 0.00 55.06 55.85 2dj4 s HIS 69 Cb -0.02 0.02 -0.06 0.00 -0.00 0.00 0.00 32.58 32.52 2dj4 s HIS 69 CO 0.15 -0.21 0.42 0.99 -0.00 0.00 0.00 174.74 176.09 2dj4 s THR 70 N 1.16 5.00 -0.22 1.30 2.01 0.93 -0.18 115.64 125.65 2dj4 s THR 70 Ca -0.09 0.88 -0.01 0.00 0.31 0.00 0.00 61.69 62.78 2dj4 s THR 70 Cb -0.10 -3.73 0.06 0.00 0.01 0.00 0.00 72.50 68.74 2dj4 s THR 70 CO -0.07 0.57 0.01 -0.69 -0.69 0.00 0.00 174.62 173.75 2dj4 s VAL 71 N -1.05 0.91 0.12 3.82 1.01 -0.91 -0.98 120.40 123.32 2dj4 s VAL 71 Ca 0.24 -0.88 -0.10 0.00 0.00 0.00 0.00 61.98 61.25 2dj4 s VAL 71 Cb -0.17 -1.36 -0.06 0.00 0.00 0.00 0.00 36.38 34.79 2dj4 s VAL 71 CO 0.14 -0.22 0.44 0.42 0.00 0.00 0.00 175.10 175.87 2dj4 s THR 72 N 1.67 5.05 0.18 3.92 -4.23 -1.24 -2.60 115.64 118.39 2dj4 s THR 72 Ca -0.01 0.45 -0.24 0.00 -1.18 0.00 0.00 61.69 60.71 2dj4 s THR 72 Cb -0.18 -3.65 0.05 0.00 1.34 0.00 0.00 72.50 70.07 2dj4 s THR 72 CO -0.09 0.20 0.80 -0.72 -0.54 0.00 0.00 174.62 174.27 2dj4 s TYR 73 N -1.50 -0.25 -0.19 3.99 1.13 0.18 -2.72 117.35 117.99 2dj4 s TYR 73 Ca 0.37 -0.07 -0.04 0.00 -1.41 0.00 0.00 57.07 55.92 2dj4 s TYR 73 Cb -0.13 0.64 0.09 0.00 -1.10 0.00 0.00 41.96 41.45 2dj4 s TYR 73 CO 0.20 -0.94 0.20 0.99 -2.51 0.00 0.00 175.55 173.49 2dj4 s THR 74 N -3.56 -0.28 -0.85 -3.49 2.01 -1.26 -0.07 115.64 108.14 2dj4 s THR 74 Ca 0.09 -0.10 -0.25 0.00 0.31 0.00 0.00 61.69 61.74 2dj4 s THR 74 Cb -0.03 -0.64 -0.04 0.00 0.01 0.00 0.00 72.50 71.80 2dj4 s THR 74 CO -0.00 -0.20 1.93 -2.16 -0.69 0.00 0.00 174.62 173.50 2dj4 s PRO 75 N 2.29 2.57 0.20 4.92 0.04 -1.26 -4.84 135.00 138.91 2dj4 s PRO 75 Ca 0.06 -0.12 -0.06 0.00 0.04 0.00 0.00 61.00 60.92 2dj4 s PRO 75 Cb -0.16 -4.93 0.32 0.00 0.04 0.00 0.00 34.50 29.77 2dj4 s PRO 75 CO -0.11 -3.26 1.11 0.45 0.04 0.00 0.00 177.00 175.23 2dj4 n SER 76 N 13.76 -0.27 -4.29 6.66 2.88 -1.26 -0.69 113.62 130.41 2dj4 n SER 76 Ca 0.36 1.22 -0.23 0.00 -1.33 0.00 0.00 58.87 58.90 2dj4 n SER 76 Cb 0.48 -0.36 -0.09 0.00 -0.75 0.00 0.00 64.21 63.48 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 -5.88 1.75 0.64 -1.46 -2.07 -1.26 -3.72 119.66 107.66 2dj4 s GLN 77 Ca -0.11 -2.02 -0.03 0.00 -1.82 0.00 0.00 55.36 51.39 2dj4 s GLN 77 Cb 0.19 -0.69 0.05 0.00 -1.09 0.00 0.00 33.01 31.47 2dj4 s GLN 77 CO 0.55 -0.33 0.91 -1.83 -1.32 0.00 0.00 175.29 173.27 2dj4 s GLU 78 N -3.83 2.32 0.00 9.60 1.03 -1.26 -4.74 118.70 121.82 2dj4 s GLU 78 Ca 0.31 -0.50 0.00 0.00 0.03 0.00 0.00 54.97 54.80 2dj4 s GLU 78 Cb 0.06 -2.31 0.00 0.00 -0.80 0.00 0.00 34.13 31.08 2dj4 s GLU 78 CO 0.15 -1.03 0.00 0.41 -1.33 0.00 0.00 175.26 173.46 2dj4 n GLY 79 N -2.68 2.38 3.56 -3.83 0.00 -0.98 -4.93 105.19 98.71 2dj4 n GLY 79 Ca 0.08 -2.00 -0.28 0.00 0.00 0.00 0.00 46.02 43.83 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 -1.74 2.56 0.55 1.61 0.04 -1.26 -1.30 135.00 135.46 2dj4 s PRO 80 Ca 0.00 -0.21 -0.07 0.00 0.04 0.00 0.00 61.00 60.76 2dj4 s PRO 80 Cb 0.00 -5.00 -0.02 0.00 0.04 0.00 0.00 34.50 29.51 2dj4 s PRO 80 CO 0.00 -3.33 0.89 0.71 0.04 0.00 0.00 177.00 175.31 2dj4 s TYR 81 N 10.01 3.47 -0.18 0.56 1.51 0.42 -3.91 117.35 129.24 2dj4 s TYR 81 Ca 0.70 0.88 -0.01 0.00 -1.01 0.00 0.00 57.07 57.62 2dj4 s TYR 81 Cb -0.07 -2.56 0.05 0.00 -0.11 0.00 0.00 41.96 39.27 2dj4 s TYR 81 CO 0.01 -0.57 -0.01 1.41 -1.11 0.00 0.00 175.55 175.27 2dj4 s MET 82 N -4.94 1.06 -0.61 -0.62 1.75 -0.49 -1.17 119.30 114.28 2dj4 s MET 82 Ca 0.51 -0.49 -0.12 0.00 -1.25 0.00 0.00 55.69 54.35 2dj4 s MET 82 Cb -0.11 -2.04 0.16 0.00 2.84 0.00 0.00 34.83 35.69 2dj4 s MET 82 CO 0.47 -0.53 0.53 0.08 -0.65 0.00 0.00 175.02 174.92 2dj4 s VAL 83 N 1.72 4.85 0.35 10.11 1.01 0.39 -0.64 120.40 138.20 2dj4 s VAL 83 Ca -0.01 -2.04 -0.25 0.00 0.00 0.00 0.00 61.98 59.68 2dj4 s VAL 83 Cb -0.16 -4.10 -0.10 0.00 0.00 0.00 0.00 36.38 32.02 2dj4 s VAL 83 CO -0.07 -0.89 0.96 -0.55 0.00 0.00 0.00 175.10 174.55 2dj4 s SER 84 N 2.56 7.18 -0.07 3.32 0.15 0.28 -1.44 113.70 125.69 2dj4 s SER 84 Ca 0.10 1.84 -0.03 0.00 0.70 0.00 0.00 55.95 58.56 2dj4 s SER 84 Cb -0.22 -2.57 0.04 0.00 -1.71 0.00 0.00 66.02 61.56 2dj4 s SER 84 CO -0.02 -0.18 0.15 -0.69 1.20 0.00 0.00 173.24 173.69 2dj4 s VAL 85 N -1.73 -0.05 0.41 4.45 1.01 -1.26 -0.29 120.40 122.94 2dj4 s VAL 85 Ca 0.54 0.18 0.07 0.00 0.00 0.00 0.00 61.98 62.77 2dj4 s VAL 85 Cb -0.17 -0.24 -0.07 0.00 0.00 0.00 0.00 36.38 35.90 2dj4 s VAL 85 CO 0.22 0.07 0.06 -0.75 0.00 0.00 0.00 175.10 174.70 2dj4 s LYS 86 N 1.16 2.04 -0.28 2.72 2.20 -0.97 -3.30 119.74 123.31 2dj4 s LYS 86 Ca -0.09 -2.02 0.01 0.00 -0.36 0.00 0.00 55.97 53.50 2dj4 s LYS 86 Cb -0.11 -1.75 0.18 0.00 -1.51 0.00 0.00 37.83 34.63 2dj4 s LYS 86 CO -0.06 -0.06 0.52 -0.47 -0.36 0.00 0.00 175.35 174.92 2dj4 s TYR 87 N -2.67 -1.41 -0.92 4.03 5.04 -1.02 -1.78 117.35 118.61 2dj4 s TYR 87 Ca 0.37 1.16 -0.06 0.00 -2.44 0.00 0.00 57.07 56.10 2dj4 s TYR 87 Cb 0.08 0.28 0.01 0.00 0.35 0.00 0.00 41.96 42.67 2dj4 s TYR 87 CO 0.19 -0.91 0.80 0.00 -1.34 0.00 0.00 175.55 174.30 2dj4 n ALA 88 N 5.40 -0.94 -2.80 3.97 0.00 -1.18 -2.63 120.51 122.33 2dj4 n ALA 88 Ca 0.00 0.26 -0.18 0.00 0.00 0.00 0.00 53.44 53.52 2dj4 n ALA 88 Cb 0.51 -3.79 0.02 0.00 0.00 0.00 0.00 19.45 16.20 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 -1.66 -5.23 -3.45 0.00 9.92 -1.26 -4.99 116.55 109.88 2dj4 n ASP 89 Ca -0.01 -0.21 -0.19 0.00 -0.53 0.00 0.00 54.79 53.86 2dj4 n ASP 89 Cb 0.55 -4.10 -0.12 0.00 -0.64 0.00 0.00 41.12 36.81 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 -5.40 0.25 -0.22 -1.24 2.02 -1.08 -5.11 118.70 107.93 2dj4 s GLU 90 Ca 0.22 0.01 -0.34 0.00 0.02 0.00 0.00 54.97 54.87 2dj4 s GLU 90 Cb -0.10 -0.96 -0.10 0.00 0.10 0.00 0.00 34.13 33.07 2dj4 s GLU 90 CO 0.27 -0.84 2.05 0.39 0.02 0.00 0.00 175.26 177.15 2dj4 n GLU 91 N 5.31 1.69 -1.33 1.61 1.02 -1.26 -2.44 120.64 125.24 2dj4 n GLU 91 Ca -0.04 0.55 -0.36 0.00 -0.02 0.00 0.00 57.16 57.28 2dj4 n GLU 91 Cb 0.48 -2.67 0.07 0.00 -0.02 0.00 0.00 31.44 29.30 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 6.36 2.18 0.98 -3.67 -5.35 -1.21 -4.82 119.36 113.84 2dj4 n ILE 92 Ca 0.31 -0.41 0.04 0.00 -0.27 0.00 0.00 62.75 62.42 2dj4 n ILE 92 Cb 0.29 -0.82 0.26 0.00 -1.74 0.00 0.00 39.64 37.63 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 -0.86 0.49 -0.01 6.28 -0.04 -1.26 -1.69 135.00 137.90 2dj4 n PRO 93 Ca 0.11 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.59 2dj4 n PRO 93 Cb 0.49 -1.29 0.03 0.00 -0.04 0.00 0.00 33.50 32.69 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 -0.79 0.09 -4.31 0.54 5.12 -1.26 -5.02 116.66 111.03 2dj4 n ARG 94 Ca 0.07 -0.90 -0.27 0.00 -1.93 0.00 0.00 57.85 54.81 2dj4 n ARG 94 Cb 0.03 -1.09 -0.10 0.00 -1.16 0.00 0.00 32.46 30.14 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 -0.47 4.12 1.24 0.55 0.15 -0.68 -4.25 113.70 114.36 2dj4 s SER 95 Ca 0.06 -0.61 -0.20 0.00 0.70 0.00 0.00 55.95 55.90 2dj4 s SER 95 Cb 0.04 -0.65 0.29 0.00 -1.71 0.00 0.00 66.02 63.99 2dj4 s SER 95 CO 0.06 0.11 1.05 -0.81 1.20 0.00 0.00 173.24 174.85 2dj4 n PRO 96 N 0.16 -3.08 -4.47 5.44 -0.04 -1.26 -4.80 135.00 126.95 2dj4 n PRO 96 Ca -0.11 -1.68 -0.33 0.00 -0.04 0.00 0.00 63.50 61.34 2dj4 n PRO 96 Cb 0.55 -1.57 -0.16 0.00 -0.04 0.00 0.00 33.50 32.27 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 -2.89 2.72 -0.79 0.54 0.40 -0.52 -4.95 117.98 112.49 2dj4 s PHE 97 Ca 0.68 -1.40 -0.24 0.00 -0.60 0.00 0.00 56.93 55.37 2dj4 s PHE 97 Cb -0.07 -1.86 0.06 0.00 0.51 0.00 0.00 43.02 41.66 2dj4 s PHE 97 CO 0.52 -0.66 1.19 -1.59 0.70 0.00 0.00 175.22 175.38 2dj4 s LYS 98 N 0.98 3.29 -0.47 0.44 -2.85 -1.26 -0.46 119.74 119.41 2dj4 s LYS 98 Ca -0.03 -0.80 -0.13 0.00 -1.00 0.00 0.00 55.97 54.00 2dj4 s LYS 98 Cb -0.15 -4.52 0.09 0.00 -2.06 0.00 0.00 37.83 31.19 2dj4 s LYS 98 CO -0.05 -2.00 0.37 0.08 0.10 0.00 0.00 175.35 173.84 2dj4 s VAL 99 N 4.65 4.89 -0.63 1.79 1.01 -0.32 -4.97 120.40 126.82 2dj4 s VAL 99 Ca 0.33 -1.27 -0.25 0.00 0.00 0.00 0.00 61.98 60.79 2dj4 s VAL 99 Cb -0.09 -3.99 0.05 0.00 0.00 0.00 0.00 36.38 32.35 2dj4 s VAL 99 CO 0.05 -0.62 1.05 -0.75 0.00 0.00 0.00 175.10 174.83 2dj4 s LYS 100 N 1.56 3.24 0.34 2.72 2.20 -1.26 -0.44 119.74 128.10 2dj4 s LYS 100 Ca 0.04 -0.41 -0.26 0.00 -0.36 0.00 0.00 55.97 54.97 2dj4 s LYS 100 Cb -0.25 -4.14 -0.09 0.00 -1.51 0.00 0.00 37.83 31.84 2dj4 s LYS 100 CO 0.04 -1.76 1.06 0.08 -0.36 0.00 0.00 175.35 174.41 2dj4 s VAL 101 N 4.47 3.68 0.16 4.02 1.01 -0.42 -4.67 120.40 128.65 2dj4 s VAL 101 Ca 0.30 1.45 0.06 0.00 0.00 0.00 0.00 61.98 63.78 2dj4 s VAL 101 Cb -0.13 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 2dj4 s VAL 101 CO 0.16 0.17 0.08 -0.76 0.00 0.00 0.00 175.10 174.74 2dj4 s LEU 102 N -2.10 3.60 -0.04 3.92 1.43 0.28 -2.31 118.68 123.46 2dj4 s LEU 102 Ca 0.52 -0.23 -0.30 0.00 -1.03 0.00 0.00 54.13 53.09 2dj4 s LEU 102 Cb -0.26 -2.23 -0.05 0.00 0.03 0.00 0.00 46.19 43.68 2dj4 s LEU 102 CO 0.32 0.08 1.48 -2.16 0.23 0.00 0.00 176.35 176.31 2dj4 s PRO 103 N -2.99 4.23 0.31 1.29 0.04 -1.26 0.49 135.00 137.11 2dj4 s PRO 103 Ca 0.29 2.02 0.23 0.00 0.04 0.00 0.00 61.00 63.58 2dj4 s PRO 103 Cb -0.10 -3.75 1.05 0.00 0.04 0.00 0.00 34.50 31.74 2dj4 s PRO 103 CO 0.21 -0.70 1.10 2.41 0.04 0.00 0.00 177.00 180.06 2dj4 n THR 104 N 5.07 -0.18 -2.56 1.26 -1.04 -1.26 -4.20 114.28 111.36 2dj4 n THR 104 Ca 0.15 1.28 -0.40 0.00 -2.04 0.00 0.00 64.05 63.03 2dj4 n THR 104 Cb 0.43 -2.09 -0.05 0.00 -1.82 0.00 0.00 70.33 66.80 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 -4.77 3.70 -0.25 -1.42 1.51 -1.26 -5.00 117.35 109.85 2dj4 s TYR 105 Ca -0.05 1.74 -0.06 0.00 -1.01 0.00 0.00 57.07 57.69 2dj4 s TYR 105 Cb 0.22 -3.19 0.12 0.00 -0.11 0.00 0.00 41.96 39.00 2dj4 s TYR 105 CO 0.58 -0.27 0.51 0.34 -1.11 0.00 0.00 175.55 175.60 2dj4 s ASP 106 N -0.80 -0.64 -1.07 2.29 2.15 -1.26 -5.09 116.67 112.26 2dj4 s ASP 106 Ca 0.44 1.04 -0.08 0.00 0.43 0.00 0.00 52.55 54.39 2dj4 s ASP 106 Cb -0.30 1.74 0.27 0.00 -0.30 0.00 0.00 42.92 44.33 2dj4 s ASP 106 CO 0.37 -0.24 1.05 0.00 -0.17 0.00 0.00 175.17 176.18 2dj4 s ALA 107 N 2.73 4.65 -2.00 3.66 0.00 -1.26 -5.25 121.76 124.29 2dj4 s ALA 107 Ca 0.03 -3.83 0.07 0.00 0.00 0.00 0.00 51.96 48.23 2dj4 s ALA 107 Cb -0.13 -3.45 0.43 0.00 0.00 0.00 0.00 23.12 19.98 2dj4 s ALA 107 CO -0.16 -2.19 0.89 0.45 0.00 0.00 0.00 175.76 174.74