#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 4.07 -0.38 1.61 1.04 -1.26 -5.07 113.70 113.71 2dj4 s SER 2 Ca 0.00 -1.12 -0.28 0.00 0.48 0.00 0.00 55.95 55.03 2dj4 s SER 2 Cb 0.00 -0.46 -0.01 0.00 0.10 0.00 0.00 66.02 65.65 2dj4 s SER 2 CO 0.00 -0.32 1.70 -0.44 0.98 0.00 0.00 173.24 175.16 2dj4 s SER 3 N -3.72 5.96 1.19 7.02 0.01 -1.26 -4.99 113.70 117.90 2dj4 s SER 3 Ca 0.35 1.07 -0.11 0.00 1.31 0.00 0.00 55.95 58.57 2dj4 s SER 3 Cb 0.03 -2.53 0.17 0.00 0.21 0.00 0.00 66.02 63.90 2dj4 s SER 3 CO 0.19 -1.70 0.48 0.61 0.41 0.00 0.00 173.24 173.23 2dj4 n GLY 4 N 5.36 -3.26 4.44 3.44 0.00 -1.26 -3.86 105.19 110.04 2dj4 n GLY 4 Ca 0.21 -1.36 -0.40 0.00 0.00 0.00 0.00 46.02 44.47 2dj4 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dj4 n SER 5 N -4.17 -1.66 -4.49 1.61 2.88 -1.26 -4.89 113.62 101.64 2dj4 n SER 5 Ca 0.07 -1.20 -0.37 0.00 -1.33 0.00 0.00 58.87 56.04 2dj4 n SER 5 Cb 0.29 -1.86 -0.12 0.00 -0.75 0.00 0.00 64.21 61.78 2dj4 n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dj4 s SER 6 N -3.45 5.39 0.00 -3.46 0.01 -1.25 -4.91 113.70 106.03 2dj4 s SER 6 Ca 0.68 -0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.79 2dj4 s SER 6 Cb -0.39 -1.98 0.00 0.00 0.21 0.00 0.00 66.02 63.86 2dj4 s SER 6 CO 1.00 -0.04 0.00 0.61 0.41 0.00 0.00 173.24 175.22 2dj4 n GLY 7 N 4.96 1.90 3.39 3.44 0.00 -1.26 -5.17 105.19 112.44 2dj4 n GLY 7 Ca -0.16 -0.35 -0.22 0.00 0.00 0.00 0.00 46.02 45.30 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 2.06 -0.15 1.61 0.11 -1.26 -5.14 120.40 117.64 2dj4 s VAL 8 Ca 0.00 -2.20 -0.12 0.00 -2.93 0.00 0.00 61.98 56.74 2dj4 s VAL 8 Cb 0.00 -2.09 -0.05 0.00 -1.53 0.00 0.00 36.38 32.71 2dj4 s VAL 8 CO 0.00 -0.42 0.24 -0.69 -3.33 0.00 0.00 175.10 170.89 2dj4 s VAL 9 N -2.49 5.34 -0.34 2.04 1.01 -1.26 -4.70 120.40 119.99 2dj4 s VAL 9 Ca 0.23 0.43 -0.01 0.00 0.00 0.00 0.00 61.98 62.63 2dj4 s VAL 9 Cb -0.04 -3.56 0.11 0.00 0.00 0.00 0.00 36.38 32.90 2dj4 s VAL 9 CO 0.10 0.46 0.15 -0.62 0.00 0.00 0.00 175.10 175.19 2dj4 s ASP 10 N 0.02 3.69 0.00 3.32 2.15 0.61 -4.97 116.67 121.49 2dj4 s ASP 10 Ca 0.15 -1.88 0.13 0.00 0.43 0.00 0.00 52.55 51.38 2dj4 s ASP 10 Cb -0.13 -0.74 0.79 0.00 -0.30 0.00 0.00 42.92 42.55 2dj4 s ASP 10 CO 0.03 -0.37 1.22 -0.81 -0.17 0.00 0.00 175.17 175.07 2dj4 n PRO 11 N 4.51 0.49 0.00 4.34 -0.04 -1.26 -1.90 135.00 141.14 2dj4 n PRO 11 Ca 0.02 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.59 2dj4 n PRO 11 Cb 0.40 -1.43 0.02 0.00 -0.04 0.00 0.00 33.50 32.45 2dj4 n PRO 11 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dj4 n SER 12 N -0.93 1.88 -0.20 3.54 7.64 -1.26 -4.07 113.62 120.22 2dj4 n SER 12 Ca 0.10 -1.43 0.11 0.00 1.01 0.00 0.00 58.87 58.66 2dj4 n SER 12 Cb 0.05 0.49 0.01 0.00 -1.01 0.00 0.00 64.21 63.75 2dj4 n SER 12 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2dj4 n LYS 13 N -0.18 0.51 -3.05 1.43 4.76 -0.80 -4.91 118.16 115.93 2dj4 n LYS 13 Ca 0.09 -0.40 -0.40 0.00 -2.87 0.00 0.00 58.31 54.73 2dj4 n LYS 13 Cb 0.45 -1.49 -0.05 0.00 -1.84 0.00 0.00 35.03 32.10 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 -2.77 4.98 0.35 -0.18 0.11 -1.26 -4.42 120.40 117.23 2dj4 s VAL 14 Ca 0.14 1.46 0.04 0.00 -2.93 0.00 0.00 61.98 60.68 2dj4 s VAL 14 Cb 0.17 -4.04 -0.05 0.00 -1.53 0.00 0.00 36.38 30.93 2dj4 s VAL 14 CO 0.71 0.28 0.08 -0.54 -3.33 0.00 0.00 175.10 172.30 2dj4 s LYS 15 N 0.57 1.75 -0.05 1.54 3.01 -0.07 -4.90 119.74 121.59 2dj4 s LYS 15 Ca 0.37 -2.01 -0.03 0.00 -1.01 0.00 0.00 55.97 53.29 2dj4 s LYS 15 Cb -0.18 -0.81 0.03 0.00 -1.01 0.00 0.00 37.83 35.85 2dj4 s LYS 15 CO 0.19 -0.28 0.13 0.96 0.51 0.00 0.00 175.35 176.86 2dj4 s ILE 16 N -3.27 -0.03 -0.04 2.17 -4.36 -1.26 -0.01 121.20 114.41 2dj4 s ILE 16 Ca 0.32 0.09 -0.01 0.00 -0.26 0.00 0.00 60.65 60.79 2dj4 s ILE 16 Cb 0.07 -0.20 0.03 0.00 1.25 0.00 0.00 42.46 43.61 2dj4 s ILE 16 CO 0.15 0.04 0.07 0.00 0.24 0.00 0.00 174.94 175.43 2dj4 s ALA 17 N 0.62 0.01 0.00 2.27 0.00 0.38 -4.97 121.76 120.08 2dj4 s ALA 17 Ca -0.05 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.30 2dj4 s ALA 17 Cb -0.06 -0.37 0.00 0.00 0.00 0.00 0.00 23.12 22.68 2dj4 s ALA 17 CO -0.03 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 175.95 2dj4 n GLY 18 N 4.40 1.09 0.22 0.00 0.00 -1.26 -1.30 105.19 108.34 2dj4 n GLY 18 Ca -0.23 -0.78 0.09 0.00 0.00 0.00 0.00 46.02 45.10 2dj4 n GLY 18 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dj4 h PRO 19 N 0.00 0.00 -0.63 1.61 0.13 -1.98 -3.04 132.00 128.09 2dj4 h PRO 19 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.09 2dj4 h PRO 19 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 2dj4 h PRO 19 CO 0.00 0.24 0.22 0.78 -0.23 0.00 0.00 178.00 179.00 2dj4 h GLY 20 N 1.70 1.01 1.59 1.56 0.00 -1.74 -2.38 103.07 104.81 2dj4 h GLY 20 Ca -0.00 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.78 2dj4 h GLY 20 CO 0.03 0.51 -0.36 1.41 0.00 0.00 0.00 176.54 178.14 2dj4 h LEU 21 N 0.91 0.00 -9.78 3.11 3.38 -1.80 -3.46 115.31 107.67 2dj4 h LEU 21 Ca 0.21 -0.06 -0.36 0.00 0.09 0.00 0.00 57.88 57.76 2dj4 h LEU 21 Cb 0.23 0.00 0.20 0.00 0.09 0.00 0.00 40.66 41.18 2dj4 h LEU 21 CO -0.01 0.03 -0.23 0.61 0.09 0.00 0.00 178.44 178.92 2dj4 n GLY 22 N 1.24 -3.16 0.03 0.83 0.00 -0.90 -4.76 105.19 98.47 2dj4 n GLY 22 Ca 0.03 -1.36 0.12 0.00 0.00 0.00 0.00 46.02 44.81 2dj4 n GLY 22 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dj4 n SER 23 N -4.45 0.62 -2.43 1.61 2.88 -1.26 -4.30 113.62 106.29 2dj4 n SER 23 Ca 0.09 -0.14 -0.25 0.00 -1.33 0.00 0.00 58.87 57.24 2dj4 n SER 23 Cb 0.54 0.44 -0.07 0.00 -0.75 0.00 0.00 64.21 64.37 2dj4 n SER 23 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dj4 n GLY 24 N 1.40 4.19 3.91 0.46 0.00 -1.26 -4.79 105.19 109.09 2dj4 n GLY 24 Ca 0.03 -1.80 -0.33 0.00 0.00 0.00 0.00 46.02 43.92 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 -1.88 5.39 0.05 1.61 1.01 -1.26 -5.03 120.40 120.29 2dj4 s VAL 25 Ca 0.59 -0.16 0.09 0.00 0.00 0.00 0.00 61.98 62.51 2dj4 s VAL 25 Cb 0.37 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 2dj4 s VAL 25 CO -0.20 0.26 -0.25 -0.13 0.00 0.00 0.00 175.10 174.79 2dj4 s ARG 26 N -2.11 1.66 0.62 2.72 0.52 -1.26 -0.37 118.95 120.74 2dj4 s ARG 26 Ca 0.30 -1.08 -0.18 0.00 -0.52 0.00 0.00 55.73 54.25 2dj4 s ARG 26 Cb -0.13 -1.85 -0.02 0.00 0.52 0.00 0.00 34.95 33.48 2dj4 s ARG 26 CO 0.21 0.47 1.23 0.00 0.02 0.00 0.00 175.30 177.23 2dj4 s ALA 27 N -0.82 2.46 -1.44 2.13 0.00 0.15 -3.10 121.76 121.14 2dj4 s ALA 27 Ca 0.11 1.05 -0.09 0.00 0.00 0.00 0.00 51.96 53.02 2dj4 s ALA 27 Cb -0.10 -3.48 0.05 0.00 0.00 0.00 0.00 23.12 19.59 2dj4 s ALA 27 CO 0.02 -1.34 0.94 0.54 0.00 0.00 0.00 175.76 175.92 2dj4 n ARG 28 N -1.78 -5.77 -4.12 0.00 1.74 -0.07 -4.37 116.66 102.29 2dj4 n ARG 28 Ca 0.14 0.65 -0.15 0.00 -0.77 0.00 0.00 57.85 57.72 2dj4 n ARG 28 Cb 0.49 -5.48 -0.12 0.00 -1.02 0.00 0.00 32.46 26.33 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 -3.40 0.61 -0.25 1.55 1.01 -1.18 -5.02 120.40 113.72 2dj4 s VAL 29 Ca 0.46 -0.92 -0.29 0.00 0.00 0.00 0.00 61.98 61.23 2dj4 s VAL 29 Cb -0.22 -0.63 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 2dj4 s VAL 29 CO 0.81 -0.24 1.62 -0.22 0.00 0.00 0.00 175.10 177.07 2dj4 s LEU 30 N -1.27 3.82 -0.11 3.92 2.96 -1.26 -4.19 118.68 122.56 2dj4 s LEU 30 Ca -0.06 1.52 0.04 0.00 -0.22 0.00 0.00 54.13 55.40 2dj4 s LEU 30 Cb -0.08 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.08 2dj4 s LEU 30 CO 0.01 -1.32 -0.23 -1.10 -1.32 0.00 0.00 176.35 172.38 2dj4 s GLN 31 N 4.81 2.96 0.06 1.98 -1.52 0.58 -4.99 119.66 123.55 2dj4 s GLN 31 Ca 0.71 -0.85 -0.06 0.00 -1.95 0.00 0.00 55.36 53.21 2dj4 s GLN 31 Cb -0.24 -2.27 -0.01 0.00 -0.22 0.00 0.00 33.01 30.27 2dj4 s GLN 31 CO 0.30 0.13 0.12 0.45 -0.25 0.00 0.00 175.29 176.05 2dj4 s SER 32 N 0.45 0.19 0.36 5.90 0.15 -1.26 -0.03 113.70 119.46 2dj4 s SER 32 Ca -0.16 -0.64 -0.00 0.00 0.70 0.00 0.00 55.95 55.85 2dj4 s SER 32 Cb -0.17 0.27 0.00 0.00 -1.71 0.00 0.00 66.02 64.41 2dj4 s SER 32 CO 0.07 -0.62 0.47 0.72 1.20 0.00 0.00 173.24 175.08 2dj4 s PHE 33 N -3.31 1.21 -0.09 3.44 -0.71 -1.14 -2.00 117.98 115.37 2dj4 s PHE 33 Ca 0.01 -1.39 0.04 0.00 -1.04 0.00 0.00 56.93 54.55 2dj4 s PHE 33 Cb 0.03 -0.16 -0.00 0.00 -1.21 0.00 0.00 43.02 41.68 2dj4 s PHE 33 CO -0.08 -1.15 -0.24 0.99 -1.34 0.00 0.00 175.22 173.40 2dj4 s THR 34 N -2.93 2.05 -0.34 -4.49 2.01 -0.42 -2.77 115.64 108.76 2dj4 s THR 34 Ca 0.32 -1.02 -0.05 0.00 0.31 0.00 0.00 61.69 61.24 2dj4 s THR 34 Cb -0.01 -1.77 0.05 0.00 0.01 0.00 0.00 72.50 70.79 2dj4 s THR 34 CO 0.23 0.56 0.10 -0.69 -0.69 0.00 0.00 174.62 174.12 2dj4 s VAL 35 N 0.26 3.61 -0.44 3.82 1.01 -0.25 -0.47 120.40 127.95 2dj4 s VAL 35 Ca -0.17 -1.26 -0.22 0.00 0.00 0.00 0.00 61.98 60.34 2dj4 s VAL 35 Cb -0.17 -3.08 0.02 0.00 0.00 0.00 0.00 36.38 33.15 2dj4 s VAL 35 CO 0.08 -0.21 0.72 -0.62 0.00 0.00 0.00 175.10 175.07 2dj4 s ASP 36 N 1.44 6.38 -0.12 3.32 -1.08 0.99 -1.04 116.67 126.56 2dj4 s ASP 36 Ca -0.02 -0.17 0.14 0.00 -0.52 0.00 0.00 52.55 51.98 2dj4 s ASP 36 Cb -0.20 -2.36 0.31 0.00 -1.46 0.00 0.00 42.92 39.21 2dj4 s ASP 36 CO 0.02 -0.84 1.15 -1.54 0.52 0.00 0.00 175.17 174.48 2dj4 n SER 37 N 6.50 1.59 0.06 -0.34 3.41 -1.22 -0.89 113.62 122.73 2dj4 n SER 37 Ca 0.01 -3.05 -0.04 0.00 -0.26 0.00 0.00 58.87 55.52 2dj4 n SER 37 Cb 0.48 -0.41 0.16 0.00 -0.26 0.00 0.00 64.21 64.18 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 0.47 0.38 0.87 4.04 4.64 -1.83 -2.71 113.55 119.41 2dj4 h SER 38 Ca -0.03 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 2dj4 h SER 38 Cb 1.18 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 2dj4 h SER 38 CO 0.01 0.78 -0.40 0.29 -0.87 0.00 0.00 176.83 176.64 2dj4 n LYS 39 N -4.00 0.16 0.09 4.77 4.76 -1.26 -3.77 118.16 118.91 2dj4 n LYS 39 Ca -0.02 0.07 -0.15 0.00 -2.87 0.00 0.00 58.31 55.34 2dj4 n LYS 39 Cb 0.51 -1.62 -0.11 0.00 -1.84 0.00 0.00 35.03 31.98 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 2.73 0.18 0.00 7.82 0.00 -1.66 -3.44 119.26 124.91 2dj4 h ALA 40 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.09 2dj4 h ALA 40 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2dj4 h ALA 40 CO 0.00 0.91 0.00 0.41 0.00 0.00 0.00 179.25 180.57 2dj4 n GLY 41 N 1.33 0.37 0.09 0.00 0.00 -1.12 -0.29 105.19 105.57 2dj4 n GLY 41 Ca -0.08 -1.40 0.09 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 2.20 -4.82 0.99 -0.00 -1.26 -4.69 117.00 109.41 2dj4 n LEU 42 Ca 0.00 -2.90 -0.33 0.00 -0.00 0.00 0.00 56.01 52.78 2dj4 n LEU 42 Cb 0.00 -0.38 -0.04 0.00 -0.00 0.00 0.00 43.42 43.00 2dj4 n LEU 42 CO 0.00 0.67 0.68 0.00 -0.00 0.00 0.00 177.39 178.74 2dj4 s ALA 43 N -2.60 2.96 0.95 1.47 0.00 -1.26 -5.05 121.76 118.22 2dj4 s ALA 43 Ca 0.28 0.40 -0.12 0.00 0.00 0.00 0.00 51.96 52.52 2dj4 s ALA 43 Cb 0.25 -3.18 0.16 0.00 0.00 0.00 0.00 23.12 20.34 2dj4 s ALA 43 CO 0.03 -0.21 1.09 -1.25 0.00 0.00 0.00 175.76 175.42 2dj4 s PRO 44 N -3.54 0.85 -0.04 0.00 0.04 -1.26 -4.80 135.00 126.25 2dj4 s PRO 44 Ca 0.63 0.67 0.05 0.00 0.04 0.00 0.00 61.00 62.39 2dj4 s PRO 44 Cb -0.12 -1.77 -0.01 0.00 0.04 0.00 0.00 34.50 32.64 2dj4 s PRO 44 CO 0.23 -2.48 -0.18 -1.17 0.04 0.00 0.00 177.00 173.44 2dj4 s LEU 45 N -6.34 1.95 0.12 -3.56 2.96 -1.26 -2.88 118.68 109.67 2dj4 s LEU 45 Ca 0.64 -0.37 0.10 0.00 -0.22 0.00 0.00 54.13 54.29 2dj4 s LEU 45 Cb -0.18 -1.01 -0.04 0.00 0.50 0.00 0.00 46.19 45.46 2dj4 s LEU 45 CO 0.57 0.17 -0.26 -0.70 -1.32 0.00 0.00 176.35 174.82 2dj4 s GLU 46 N -0.05 1.39 0.02 1.98 2.56 -0.99 -4.97 118.70 118.63 2dj4 s GLU 46 Ca -0.02 -1.29 -0.01 0.00 0.00 0.00 0.00 54.97 53.65 2dj4 s GLU 46 Cb -0.11 -1.81 -0.02 0.00 2.00 0.00 0.00 34.13 34.19 2dj4 s GLU 46 CO 0.02 0.43 0.00 0.08 -0.56 0.00 0.00 175.26 175.23 2dj4 s VAL 47 N -1.05 0.11 -0.12 3.70 1.01 -1.26 -1.02 120.40 121.77 2dj4 s VAL 47 Ca 0.12 -0.88 -0.09 0.00 0.00 0.00 0.00 61.98 61.13 2dj4 s VAL 47 Cb -0.10 -0.31 0.04 0.00 0.00 0.00 0.00 36.38 36.01 2dj4 s VAL 47 CO 0.05 -0.48 0.31 -0.13 0.00 0.00 0.00 175.10 174.85 2dj4 s ARG 48 N -1.49 0.33 -0.16 2.72 1.81 0.41 -4.90 118.95 117.68 2dj4 s ARG 48 Ca -0.15 0.51 0.00 0.00 -1.72 0.00 0.00 55.73 54.37 2dj4 s ARG 48 Cb -0.09 0.08 -0.00 0.00 -0.45 0.00 0.00 34.95 34.48 2dj4 s ARG 48 CO -0.01 -0.09 -0.15 0.08 -0.68 0.00 0.00 175.30 174.45 2dj4 s VAL 49 N 0.61 2.65 -0.06 3.52 1.01 -1.25 0.12 120.40 127.00 2dj4 s VAL 49 Ca -0.04 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.22 2dj4 s VAL 49 Cb -0.05 -2.12 -0.00 0.00 0.00 0.00 0.00 36.38 34.20 2dj4 s VAL 49 CO -0.04 0.51 -0.20 -0.76 0.00 0.00 0.00 175.10 174.62 2dj4 s LEU 50 N 0.88 1.95 0.00 3.92 1.02 -0.14 -2.65 118.68 123.66 2dj4 s LEU 50 Ca -0.04 -0.42 -0.18 0.00 0.02 0.00 0.00 54.13 53.51 2dj4 s LEU 50 Cb -0.15 -1.12 0.25 0.00 0.02 0.00 0.00 46.19 45.18 2dj4 s LEU 50 CO -0.01 0.16 1.28 0.61 0.02 0.00 0.00 176.35 178.41 2dj4 n GLY 51 N 3.25 -1.82 0.16 -3.19 0.00 0.41 -1.15 105.19 102.84 2dj4 n GLY 51 Ca -0.19 -1.66 -0.13 0.00 0.00 0.00 0.00 46.02 44.04 2dj4 n GLY 51 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dj4 h PRO 52 N 0.00 0.46 0.01 1.61 0.13 -1.90 -3.26 132.00 129.04 2dj4 h PRO 52 Ca -0.43 -0.24 -0.22 0.00 -0.87 0.00 0.00 66.00 64.24 2dj4 h PRO 52 Cb 1.21 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2dj4 h PRO 52 CO 0.30 0.81 -0.95 0.00 -0.23 0.00 0.00 178.00 177.93 2dj4 h ARG 53 N 0.12 0.37 0.00 0.86 -0.00 -1.94 -3.47 114.38 110.31 2dj4 h ARG 53 Ca 0.03 -0.41 0.00 0.00 -0.50 0.00 0.00 59.98 59.10 2dj4 h ARG 53 Cb 0.73 0.12 0.00 0.00 0.00 0.00 0.00 29.97 30.82 2dj4 h ARG 53 CO 0.05 1.09 0.00 0.41 0.00 0.00 0.00 179.97 181.51 2dj4 n GLY 54 N 0.97 0.29 3.86 0.04 0.00 -1.23 -5.15 105.19 103.96 2dj4 n GLY 54 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.16 0.99 2.96 -1.26 -4.80 118.68 120.35 2dj4 s LEU 55 Ca 0.00 1.26 0.01 0.00 -0.22 0.00 0.00 54.13 55.18 2dj4 s LEU 55 Cb 0.00 -4.10 0.01 0.00 0.50 0.00 0.00 46.19 42.60 2dj4 s LEU 55 CO 0.00 -0.31 -0.20 -0.69 -1.32 0.00 0.00 176.35 173.84 2dj4 s VAL 56 N -2.18 2.18 0.02 1.68 1.01 -1.26 -0.44 120.40 121.41 2dj4 s VAL 56 Ca 0.54 -0.92 0.09 0.00 0.00 0.00 0.00 61.98 61.69 2dj4 s VAL 56 Cb -0.10 -1.90 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 2dj4 s VAL 56 CO 0.23 0.54 -0.26 -1.61 0.00 0.00 0.00 175.10 174.00 2dj4 s GLU 57 N 1.06 1.90 0.99 2.72 0.41 -1.08 -5.05 118.70 119.65 2dj4 s GLU 57 Ca -0.01 -1.03 -0.12 0.00 -0.41 0.00 0.00 54.97 53.40 2dj4 s GLU 57 Cb -0.14 -1.98 0.18 0.00 -1.78 0.00 0.00 34.13 30.41 2dj4 s GLU 57 CO -0.07 0.52 1.09 -1.25 -0.49 0.00 0.00 175.26 175.07 2dj4 s PRO 58 N -0.98 0.49 0.18 0.39 0.04 -1.26 -3.97 135.00 129.89 2dj4 s PRO 58 Ca 0.11 0.55 -0.00 0.00 0.04 0.00 0.00 61.00 61.69 2dj4 s PRO 58 Cb -0.10 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.66 2dj4 s PRO 58 CO 0.01 -2.70 0.08 0.14 0.04 0.00 0.00 177.00 174.57 2dj4 s VAL 59 N -2.96 0.23 -0.04 -0.36 -7.23 -1.26 -4.86 120.40 103.92 2dj4 s VAL 59 Ca 0.65 -1.97 0.04 0.00 -1.81 0.00 0.00 61.98 58.89 2dj4 s VAL 59 Cb -0.19 -2.32 -0.03 0.00 0.56 0.00 0.00 36.38 34.41 2dj4 s VAL 59 CO 0.58 -0.22 -0.15 0.21 -0.31 0.00 0.00 175.10 175.21 2dj4 s ASN 60 N -3.15 4.01 -0.14 4.85 2.47 -1.03 -5.00 114.94 116.94 2dj4 s ASN 60 Ca 0.32 -0.22 -0.02 0.00 0.42 0.00 0.00 52.86 53.36 2dj4 s ASN 60 Cb 0.07 -0.82 0.04 0.00 -1.45 0.00 0.00 41.25 39.09 2dj4 s ASN 60 CO 0.08 0.33 -0.00 -0.69 -3.72 0.00 0.00 177.10 173.10 2dj4 s VAL 61 N -0.76 0.64 -0.08 -5.21 1.01 -1.26 -3.74 120.40 111.00 2dj4 s VAL 61 Ca 0.12 -0.35 -0.03 0.00 0.00 0.00 0.00 61.98 61.72 2dj4 s VAL 61 Cb -0.11 -0.94 0.04 0.00 0.00 0.00 0.00 36.38 35.38 2dj4 s VAL 61 CO 0.01 0.05 0.08 -0.69 0.00 0.00 0.00 175.10 174.55 2dj4 s VAL 62 N 1.83 -0.13 0.27 2.92 1.01 -0.76 -5.00 120.40 120.55 2dj4 s VAL 62 Ca 0.02 0.28 -0.29 0.00 0.00 0.00 0.00 61.98 61.98 2dj4 s VAL 62 Cb -0.15 -0.27 -0.09 0.00 0.00 0.00 0.00 36.38 35.87 2dj4 s VAL 62 CO -0.07 0.07 1.12 -0.62 0.00 0.00 0.00 175.10 175.60 2dj4 s ASP 63 N 2.18 7.21 -0.05 3.32 2.15 -1.26 -0.11 116.67 130.11 2dj4 s ASP 63 Ca 0.04 2.30 -0.23 0.00 0.43 0.00 0.00 52.55 55.09 2dj4 s ASP 63 Cb -0.13 -2.63 -0.28 0.00 -0.30 0.00 0.00 42.92 39.59 2dj4 s ASP 63 CO -0.05 -0.19 0.95 0.78 -0.17 0.00 0.00 175.17 176.48 2dj4 h ASN 64 N 3.94 0.39 0.00 -0.34 2.35 -1.69 -3.47 115.58 116.77 2dj4 h ASN 64 Ca -0.47 -0.89 0.00 0.00 -0.55 0.00 0.00 56.30 54.39 2dj4 h ASN 64 Cb 1.21 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.46 2dj4 h ASN 64 CO 0.68 1.24 0.00 0.61 -1.65 0.00 0.00 177.43 178.31 2dj4 n GLY 65 N 1.43 2.33 0.13 2.83 0.00 -1.26 -4.93 105.19 105.72 2dj4 n GLY 65 Ca -0.12 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.70 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 0.12 0.39 0.00 1.61 5.19 -2.03 -3.47 116.42 118.22 2dj4 h ASP 66 Ca 0.00 -0.87 0.00 0.00 -0.62 0.00 0.00 57.03 55.54 2dj4 h ASP 66 Cb 0.00 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.38 2dj4 h ASP 66 CO 0.00 1.78 0.00 0.61 -3.12 0.00 0.00 179.24 178.51 2dj4 n GLY 67 N 1.95 0.00 3.63 2.75 0.00 -1.26 -5.03 105.19 107.23 2dj4 n GLY 67 Ca -0.30 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.08 2.61 -4.23 -1.26 -3.42 115.64 109.25 2dj4 s THR 68 Ca 0.00 -1.34 -0.04 0.00 -1.18 0.00 0.00 61.69 59.13 2dj4 s THR 68 Cb 0.00 -2.66 0.04 0.00 1.34 0.00 0.00 72.50 71.22 2dj4 s THR 68 CO 0.00 0.00 0.19 -1.00 -0.54 0.00 0.00 174.62 173.27 2dj4 s HIS 69 N -2.91 -0.23 0.10 3.99 0.09 -0.20 -1.64 115.29 114.48 2dj4 s HIS 69 Ca 0.23 0.60 -0.19 0.00 -0.00 0.00 0.00 55.06 55.70 2dj4 s HIS 69 Cb -0.02 -0.02 -0.07 0.00 -0.00 0.00 0.00 32.58 32.46 2dj4 s HIS 69 CO 0.15 -0.19 0.60 0.99 -0.00 0.00 0.00 174.74 176.30 2dj4 s THR 70 N 1.15 4.70 -0.28 1.30 2.01 0.84 -1.09 115.64 124.27 2dj4 s THR 70 Ca -0.09 1.23 -0.01 0.00 0.31 0.00 0.00 61.69 63.13 2dj4 s THR 70 Cb -0.10 -3.90 0.09 0.00 0.01 0.00 0.00 72.50 68.59 2dj4 s THR 70 CO -0.07 0.48 0.08 -0.69 -0.69 0.00 0.00 174.62 173.74 2dj4 s VAL 71 N -1.19 0.73 0.04 3.82 1.01 -1.11 -1.82 120.40 121.87 2dj4 s VAL 71 Ca 0.32 -1.15 -0.10 0.00 0.00 0.00 0.00 61.98 61.05 2dj4 s VAL 71 Cb -0.19 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.66 2dj4 s VAL 71 CO 0.20 -0.56 0.36 0.42 0.00 0.00 0.00 175.10 175.52 2dj4 s THR 72 N 1.71 5.15 0.27 3.92 -4.23 -1.25 -2.88 115.64 118.33 2dj4 s THR 72 Ca 0.07 0.44 -0.20 0.00 -1.18 0.00 0.00 61.69 60.82 2dj4 s THR 72 Cb -0.17 -3.63 0.06 0.00 1.34 0.00 0.00 72.50 70.10 2dj4 s THR 72 CO -0.22 0.37 0.87 -0.72 -0.54 0.00 0.00 174.62 174.39 2dj4 s TYR 73 N -1.30 0.00 -0.21 3.99 -0.85 0.95 -2.46 117.35 117.47 2dj4 s TYR 73 Ca 0.29 -0.50 -0.06 0.00 -0.52 0.00 0.00 57.07 56.29 2dj4 s TYR 73 Cb -0.14 0.74 0.10 0.00 0.38 0.00 0.00 41.96 43.05 2dj4 s TYR 73 CO 0.16 -1.20 0.41 0.99 -1.52 0.00 0.00 175.55 174.38 2dj4 s THR 74 N -2.77 -0.64 -0.82 -3.49 2.01 -1.26 -0.30 115.64 108.37 2dj4 s THR 74 Ca 0.16 0.10 -0.25 0.00 0.31 0.00 0.00 61.69 62.01 2dj4 s THR 74 Cb -0.04 -0.71 -0.04 0.00 0.01 0.00 0.00 72.50 71.72 2dj4 s THR 74 CO 0.07 0.02 1.92 -2.16 -0.69 0.00 0.00 174.62 173.78 2dj4 s PRO 75 N 2.59 2.58 0.16 4.92 0.04 -1.26 -4.85 135.00 139.18 2dj4 s PRO 75 Ca 0.03 -0.03 -0.14 0.00 0.04 0.00 0.00 61.00 60.91 2dj4 s PRO 75 Cb -0.13 -4.87 0.15 0.00 0.04 0.00 0.00 34.50 29.70 2dj4 s PRO 75 CO -0.14 -3.19 1.12 0.45 0.04 0.00 0.00 177.00 175.28 2dj4 n SER 76 N 13.62 -0.50 -4.47 6.66 2.88 -1.26 -0.89 113.62 129.66 2dj4 n SER 76 Ca 0.34 1.26 -0.24 0.00 -1.33 0.00 0.00 58.87 58.90 2dj4 n SER 76 Cb 0.48 -0.28 -0.10 0.00 -0.75 0.00 0.00 64.21 63.57 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 -5.65 1.80 0.77 -1.46 -2.07 -1.26 -3.76 119.66 108.02 2dj4 s GLN 77 Ca -0.10 -2.03 -0.08 0.00 -1.82 0.00 0.00 55.36 51.33 2dj4 s GLN 77 Cb 0.14 -1.06 0.10 0.00 -1.09 0.00 0.00 33.01 31.10 2dj4 s GLN 77 CO 0.51 -0.21 1.09 -1.83 -1.32 0.00 0.00 175.29 173.53 2dj4 s GLU 78 N -3.83 1.78 0.00 9.60 -1.05 -1.26 -4.78 118.70 119.16 2dj4 s GLU 78 Ca 0.32 -0.39 0.00 0.00 -0.15 0.00 0.00 54.97 54.75 2dj4 s GLU 78 Cb 0.08 -2.11 0.00 0.00 -0.44 0.00 0.00 34.13 31.66 2dj4 s GLU 78 CO 0.15 -1.54 0.00 0.41 0.95 0.00 0.00 175.26 175.23 2dj4 n GLY 79 N -3.12 2.73 3.56 -3.83 0.00 -0.83 -4.90 105.19 98.81 2dj4 n GLY 79 Ca 0.11 -2.03 -0.27 0.00 0.00 0.00 0.00 46.02 43.82 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 -2.00 2.55 0.72 1.61 0.04 -1.26 -0.85 135.00 135.82 2dj4 s PRO 80 Ca 0.00 -0.37 -0.09 0.00 0.04 0.00 0.00 61.00 60.58 2dj4 s PRO 80 Cb 0.00 -5.08 0.05 0.00 0.04 0.00 0.00 34.50 29.51 2dj4 s PRO 80 CO 0.00 -3.43 1.06 0.71 0.04 0.00 0.00 177.00 175.38 2dj4 s TYR 81 N 10.17 3.02 -0.07 0.56 1.51 -0.32 -3.84 117.35 128.37 2dj4 s TYR 81 Ca 0.70 0.64 -0.03 0.00 -1.01 0.00 0.00 57.07 57.38 2dj4 s TYR 81 Cb -0.06 -3.21 0.04 0.00 -0.11 0.00 0.00 41.96 38.61 2dj4 s TYR 81 CO 0.00 -1.42 0.06 1.41 -1.11 0.00 0.00 175.55 174.50 2dj4 s MET 82 N -5.33 0.02 -0.53 -0.62 1.75 -0.30 -2.14 119.30 112.14 2dj4 s MET 82 Ca 0.60 0.26 -0.08 0.00 -1.25 0.00 0.00 55.69 55.21 2dj4 s MET 82 Cb -0.11 -0.82 0.14 0.00 2.84 0.00 0.00 34.83 36.87 2dj4 s MET 82 CO 0.47 -0.40 0.40 0.08 -0.65 0.00 0.00 175.02 174.92 2dj4 s VAL 83 N 2.14 4.24 0.35 10.11 1.01 0.14 -0.97 120.40 137.43 2dj4 s VAL 83 Ca 0.04 -2.04 -0.22 0.00 0.00 0.00 0.00 61.98 59.76 2dj4 s VAL 83 Cb -0.13 -3.77 -0.10 0.00 0.00 0.00 0.00 36.38 32.38 2dj4 s VAL 83 CO -0.04 -0.81 0.89 -0.44 0.00 0.00 0.00 175.10 174.69 2dj4 s SER 84 N 2.30 7.06 -0.02 3.32 0.01 0.12 -1.29 113.70 125.20 2dj4 s SER 84 Ca 0.09 1.65 -0.01 0.00 1.31 0.00 0.00 55.95 58.98 2dj4 s SER 84 Cb -0.24 -2.51 0.01 0.00 0.21 0.00 0.00 66.02 63.49 2dj4 s SER 84 CO -0.02 -0.19 0.04 -0.69 0.41 0.00 0.00 173.24 172.79 2dj4 s VAL 85 N -1.88 -0.01 0.40 3.43 1.01 -1.26 -0.44 120.40 121.65 2dj4 s VAL 85 Ca 0.55 0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.60 2dj4 s VAL 85 Cb -0.13 -0.07 -0.05 0.00 0.00 0.00 0.00 36.38 36.13 2dj4 s VAL 85 CO 0.18 0.02 0.06 -0.75 0.00 0.00 0.00 175.10 174.60 2dj4 s LYS 86 N 0.22 1.90 -0.30 2.72 2.20 -0.18 -3.40 119.74 122.90 2dj4 s LYS 86 Ca -0.02 -2.13 -0.02 0.00 -0.36 0.00 0.00 55.97 53.45 2dj4 s LYS 86 Cb -0.03 -1.09 0.19 0.00 -1.51 0.00 0.00 37.83 35.39 2dj4 s LYS 86 CO -0.01 -0.28 0.62 -0.47 -0.36 0.00 0.00 175.35 174.86 2dj4 s TYR 87 N -3.07 -1.56 -1.39 4.03 5.04 -0.96 -2.34 117.35 117.10 2dj4 s TYR 87 Ca 0.26 1.71 -0.07 0.00 -2.44 0.00 0.00 57.07 56.53 2dj4 s TYR 87 Cb 0.06 0.57 0.01 0.00 0.35 0.00 0.00 41.96 42.95 2dj4 s TYR 87 CO 0.13 -0.85 0.96 0.00 -1.34 0.00 0.00 175.55 174.45 2dj4 n ALA 88 N 5.43 -1.15 -2.61 3.97 0.00 -1.14 -1.87 120.51 123.14 2dj4 n ALA 88 Ca -0.02 0.36 -0.13 0.00 0.00 0.00 0.00 53.44 53.65 2dj4 n ALA 88 Cb 0.51 -4.83 0.02 0.00 0.00 0.00 0.00 19.45 15.14 2dj4 n ALA 88 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2dj4 n ASP 89 N -2.70 -4.24 -3.49 0.00 8.00 -1.26 -5.00 116.55 107.86 2dj4 n ASP 89 Ca -0.03 -0.14 -0.21 0.00 0.71 0.00 0.00 54.79 55.12 2dj4 n ASP 89 Cb 0.58 -3.19 -0.13 0.00 -0.02 0.00 0.00 41.12 38.36 2dj4 n ASP 89 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2dj4 s GLU 90 N -5.10 0.22 -0.35 -1.24 2.02 -0.78 -5.10 118.70 108.37 2dj4 s GLU 90 Ca 0.14 -0.07 -0.32 0.00 0.02 0.00 0.00 54.97 54.74 2dj4 s GLU 90 Cb -0.06 -1.09 -0.09 0.00 0.10 0.00 0.00 34.13 32.98 2dj4 s GLU 90 CO 0.18 -0.84 2.25 0.39 0.02 0.00 0.00 175.26 177.26 2dj4 n GLU 91 N 5.30 1.30 -1.26 1.61 1.02 -1.26 -2.25 120.64 125.10 2dj4 n GLU 91 Ca -0.05 0.32 -0.37 0.00 -0.02 0.00 0.00 57.16 57.04 2dj4 n GLU 91 Cb 0.47 -2.78 0.05 0.00 -0.02 0.00 0.00 31.44 29.15 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 7.49 1.20 0.97 -3.67 -5.35 -1.22 -4.78 119.36 114.01 2dj4 n ILE 92 Ca 0.38 -0.45 0.04 0.00 -0.27 0.00 0.00 62.75 62.46 2dj4 n ILE 92 Cb 0.33 -0.47 0.25 0.00 -1.74 0.00 0.00 39.64 38.01 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 0.27 0.49 0.00 6.28 -0.04 -1.26 -1.70 135.00 139.04 2dj4 n PRO 93 Ca 0.08 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.57 2dj4 n PRO 93 Cb 0.50 -1.27 0.00 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 -0.77 1.84 -4.24 0.54 5.12 -1.26 -5.02 116.66 112.88 2dj4 n ARG 94 Ca 0.06 -0.56 -0.27 0.00 -1.93 0.00 0.00 57.85 55.15 2dj4 n ARG 94 Cb 0.03 -1.00 -0.08 0.00 -1.16 0.00 0.00 32.46 30.25 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 -0.93 4.56 1.22 0.55 0.15 -0.69 -4.28 113.70 114.29 2dj4 s SER 95 Ca 0.06 -0.47 -0.18 0.00 0.70 0.00 0.00 55.95 56.06 2dj4 s SER 95 Cb 0.05 -0.90 0.27 0.00 -1.71 0.00 0.00 66.02 63.73 2dj4 s SER 95 CO 0.14 0.10 0.95 -0.81 1.20 0.00 0.00 173.24 174.82 2dj4 n PRO 96 N -0.04 -2.89 -5.15 5.44 -0.04 -1.26 -4.78 135.00 126.28 2dj4 n PRO 96 Ca -0.10 -1.52 -0.31 0.00 -0.04 0.00 0.00 63.50 61.53 2dj4 n PRO 96 Cb 0.55 -1.43 -0.17 0.00 -0.04 0.00 0.00 33.50 32.42 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 -2.72 2.34 -0.46 0.54 0.08 -0.41 -4.94 117.98 112.40 2dj4 s PHE 97 Ca 0.62 -0.82 -0.20 0.00 0.12 0.00 0.00 56.93 56.65 2dj4 s PHE 97 Cb -0.06 -1.56 0.04 0.00 -0.57 0.00 0.00 43.02 40.87 2dj4 s PHE 97 CO 0.47 -0.30 0.62 -1.59 -0.10 0.00 0.00 175.22 174.32 2dj4 s LYS 98 N 0.12 3.20 -0.32 0.44 -2.85 -1.26 -0.69 119.74 118.38 2dj4 s LYS 98 Ca -0.11 -0.60 0.02 0.00 -1.00 0.00 0.00 55.97 54.28 2dj4 s LYS 98 Cb -0.15 -4.01 0.09 0.00 -2.06 0.00 0.00 37.83 31.69 2dj4 s LYS 98 CO 0.06 -1.08 0.02 0.08 0.10 0.00 0.00 175.35 174.53 2dj4 s VAL 99 N 2.70 2.45 -0.55 1.79 1.01 -0.91 -4.97 120.40 121.91 2dj4 s VAL 99 Ca 0.19 -2.03 -0.27 0.00 0.00 0.00 0.00 61.98 59.87 2dj4 s VAL 99 Cb -0.16 -2.66 0.03 0.00 0.00 0.00 0.00 36.38 33.59 2dj4 s VAL 99 CO 0.16 -0.41 1.12 -0.75 0.00 0.00 0.00 175.10 175.22 2dj4 s LYS 100 N 1.02 3.51 0.22 2.72 2.20 -1.26 -1.18 119.74 126.96 2dj4 s LYS 100 Ca 0.04 0.18 -0.30 0.00 -0.36 0.00 0.00 55.97 55.53 2dj4 s LYS 100 Cb -0.20 -4.00 -0.08 0.00 -1.51 0.00 0.00 37.83 32.04 2dj4 s LYS 100 CO -0.06 -1.57 1.04 0.08 -0.36 0.00 0.00 175.35 174.48 2dj4 s VAL 101 N 4.61 3.87 0.18 4.02 1.01 -0.03 -4.49 120.40 129.57 2dj4 s VAL 101 Ca 0.41 1.75 0.06 0.00 0.00 0.00 0.00 61.98 64.20 2dj4 s VAL 101 Cb -0.09 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 2dj4 s VAL 101 CO 0.25 0.37 0.06 -0.76 0.00 0.00 0.00 175.10 175.02 2dj4 s LEU 102 N -0.87 3.53 -0.04 3.92 1.43 0.50 -1.96 118.68 125.18 2dj4 s LEU 102 Ca 0.45 -0.29 -0.30 0.00 -1.03 0.00 0.00 54.13 52.96 2dj4 s LEU 102 Cb -0.29 -2.15 -0.05 0.00 0.03 0.00 0.00 46.19 43.73 2dj4 s LEU 102 CO 0.35 0.07 1.48 -2.16 0.23 0.00 0.00 176.35 176.33 2dj4 s PRO 103 N -3.08 4.23 0.34 1.29 0.04 -1.26 0.30 135.00 136.86 2dj4 s PRO 103 Ca 0.29 2.02 0.26 0.00 0.04 0.00 0.00 61.00 63.61 2dj4 s PRO 103 Cb -0.09 -3.75 1.14 0.00 0.04 0.00 0.00 34.50 31.83 2dj4 s PRO 103 CO 0.21 -0.70 1.17 2.41 0.04 0.00 0.00 177.00 180.12 2dj4 n THR 104 N 5.08 -0.17 -3.57 1.26 -1.04 -1.26 -4.16 114.28 110.42 2dj4 n THR 104 Ca 0.15 1.32 -0.33 0.00 -2.04 0.00 0.00 64.05 63.15 2dj4 n THR 104 Cb 0.43 -2.17 -0.05 0.00 -1.82 0.00 0.00 70.33 66.72 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 -4.78 3.53 -0.46 -1.42 1.51 -1.26 -5.00 117.35 109.46 2dj4 s TYR 105 Ca -0.05 0.75 0.03 0.00 -1.01 0.00 0.00 57.07 56.78 2dj4 s TYR 105 Cb 0.23 -2.14 0.47 0.00 -0.11 0.00 0.00 41.96 40.41 2dj4 s TYR 105 CO 0.62 0.45 1.63 -0.25 -1.11 0.00 0.00 175.55 176.89 2dj4 n ASP 106 N 0.49 5.74 -4.56 2.29 9.92 -1.26 -4.96 116.55 124.21 2dj4 n ASP 106 Ca -0.05 -3.77 -0.33 0.00 -0.53 0.00 0.00 54.79 50.12 2dj4 n ASP 106 Cb 0.52 -0.68 -0.04 0.00 -0.64 0.00 0.00 41.12 40.28 2dj4 n ASP 106 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2dj4 s ALA 107 N -3.64 2.02 -2.00 2.24 0.00 -1.26 -5.21 121.76 113.91 2dj4 s ALA 107 Ca 0.56 -1.39 0.08 0.00 0.00 0.00 0.00 51.96 51.22 2dj4 s ALA 107 Cb 0.46 -4.47 0.49 0.00 0.00 0.00 0.00 23.12 19.60 2dj4 s ALA 107 CO 0.02 -4.30 0.94 0.45 0.00 0.00 0.00 175.76 172.87