#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmb s SER 2 N 0.00 1.66 -0.67 1.61 0.15 -1.26 -5.06 113.70 110.13 2dmb s SER 2 Ca 0.00 -1.48 -0.01 0.00 0.70 0.00 0.00 55.95 55.16 2dmb s SER 2 Cb 0.00 0.26 0.41 0.00 -1.71 0.00 0.00 66.02 64.98 2dmb s SER 2 CO 0.00 -0.80 1.88 -1.20 1.20 0.00 0.00 173.24 174.32 2dmb n SER 3 N -0.77 7.13 0.00 5.45 7.64 -1.26 -4.82 113.62 126.99 2dmb n SER 3 Ca -0.01 -3.80 0.00 0.00 1.01 0.00 0.00 58.87 56.08 2dmb n SER 3 Cb 0.66 -0.90 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 2dmb n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dmb n GLY 4 N -0.73 0.77 3.55 0.23 0.00 -1.26 -4.99 105.19 102.76 2dmb n GLY 4 Ca 0.56 -0.65 -0.28 0.00 0.00 0.00 0.00 46.02 45.65 2dmb n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmb s SER 5 N 0.00 4.44 0.18 1.61 0.01 -1.26 -4.91 113.70 113.77 2dmb s SER 5 Ca 0.00 0.48 0.07 0.00 1.31 0.00 0.00 55.95 57.81 2dmb s SER 5 Cb 0.00 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.66 2dmb s SER 5 CO 0.00 -3.11 -0.14 -0.44 0.41 0.00 0.00 173.24 169.96 2dmb s SER 6 N 10.82 2.33 0.00 2.44 0.01 -1.26 -5.12 113.70 122.93 2dmb s SER 6 Ca 0.89 -0.99 0.00 0.00 1.31 0.00 0.00 55.95 57.16 2dmb s SER 6 Cb -0.14 -0.10 0.00 0.00 0.21 0.00 0.00 66.02 65.99 2dmb s SER 6 CO 0.17 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.23 2dmb n GLY 7 N -0.19 0.97 3.05 3.44 0.00 -1.26 -5.12 105.19 106.07 2dmb n GLY 7 Ca -0.10 -1.98 -0.13 0.00 0.00 0.00 0.00 46.02 43.82 2dmb n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dmb s THR 8 N -1.32 -0.01 0.00 2.61 -4.23 -1.26 -5.10 115.64 106.34 2dmb s THR 8 Ca 0.00 0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.53 2dmb s THR 8 Cb 0.00 -0.26 0.00 0.00 1.34 0.00 0.00 72.50 73.58 2dmb s THR 8 CO 0.00 0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 2dmb n GLY 9 N 3.16 0.48 3.48 3.99 0.00 -1.20 -4.95 105.19 110.15 2dmb n GLY 9 Ca -0.14 -1.84 -0.32 0.00 0.00 0.00 0.00 46.02 43.71 2dmb n GLY 9 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dmb s ASP 10 N -1.00 4.03 -0.24 1.61 1.01 0.69 -5.02 116.67 117.75 2dmb s ASP 10 Ca 0.00 -0.23 -0.16 0.00 0.71 0.00 0.00 52.55 52.87 2dmb s ASP 10 Cb 0.00 -0.82 -0.11 0.00 1.01 0.00 0.00 42.92 43.00 2dmb s ASP 10 CO 0.00 0.33 -0.31 0.00 0.21 0.00 0.00 175.17 175.40 2dmb n ALA 11 N 2.12 1.05 0.19 5.23 0.00 -1.26 -4.06 120.51 123.78 2dmb n ALA 11 Ca -0.17 -0.96 0.17 0.00 0.00 0.00 0.00 53.44 52.49 2dmb n ALA 11 Cb 0.52 0.05 0.70 0.00 0.00 0.00 0.00 19.45 20.73 2dmb n ALA 11 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2dmb h SER 12 N -1.00 0.00 0.90 0.00 4.64 -1.93 0.68 113.55 116.84 2dmb h SER 12 Ca -0.46 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.63 2dmb h SER 12 Cb 1.39 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.44 2dmb h SER 12 CO -0.28 0.00 -1.13 0.11 -0.87 0.00 0.00 176.83 174.66 2dmb h LYS 13 N 0.00 0.00 -7.14 4.77 1.79 -1.96 -3.47 116.57 110.57 2dmb h LYS 13 Ca 0.12 -0.01 -0.54 0.00 -2.18 0.00 0.00 60.65 58.04 2dmb h LYS 13 Cb 1.10 0.00 0.15 0.00 -1.58 0.00 0.00 32.23 31.91 2dmb h LYS 13 CO -0.00 0.91 0.45 0.00 -1.08 0.00 0.00 179.45 179.73 2dmb s LEU 15 N -4.68 2.04 -0.22 0.00 2.01 0.79 -5.02 118.68 113.60 2dmb s LEU 15 Ca 0.78 -0.39 0.02 0.00 0.01 0.00 0.00 54.13 54.55 2dmb s LEU 15 Cb -0.33 -1.11 0.05 0.00 0.01 0.00 0.00 46.19 44.81 2dmb s LEU 15 CO 0.41 0.26 -0.12 0.00 1.01 0.00 0.00 176.35 177.91 2dmb s ALA 16 N -0.48 2.30 -0.09 4.21 0.00 -1.26 0.12 121.76 126.56 2dmb s ALA 16 Ca 0.08 -1.45 0.05 0.00 0.00 0.00 0.00 51.96 50.63 2dmb s ALA 16 Cb -0.09 -1.40 -0.00 0.00 0.00 0.00 0.00 23.12 21.63 2dmb s ALA 16 CO -0.01 -0.91 -0.24 0.95 0.00 0.00 0.00 175.76 175.55 2dmb s THR 17 N 1.25 2.04 0.00 0.00 -4.23 0.13 -4.98 115.64 109.86 2dmb s THR 17 Ca -0.04 -1.02 0.00 0.00 -1.18 0.00 0.00 61.69 59.45 2dmb s THR 17 Cb -0.17 -1.75 0.00 0.00 1.34 0.00 0.00 72.50 71.91 2dmb s THR 17 CO -0.08 0.56 0.00 0.61 -0.54 0.00 0.00 174.62 175.17 2dmb n GLY 18 N 3.36 2.58 0.24 3.99 0.00 -1.26 -0.61 105.19 113.48 2dmb n GLY 18 Ca -0.19 -0.64 0.12 0.00 0.00 0.00 0.00 46.02 45.30 2dmb n GLY 18 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmb h PRO 19 N 0.00 0.00 0.00 1.61 0.13 -1.98 -2.82 132.00 128.94 2dmb h PRO 19 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 2dmb h PRO 19 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 2dmb h PRO 19 CO 0.00 0.17 -0.16 0.78 -0.23 0.00 0.00 178.00 178.56 2dmb h GLY 20 N 1.77 0.00 -2.49 1.56 0.00 -1.93 -2.97 103.07 99.01 2dmb h GLY 20 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2dmb h GLY 20 CO 0.02 0.00 0.00 0.29 0.00 0.00 0.00 176.54 176.85 2dmb n ILE 21 N -3.21 1.35 -2.96 2.60 -5.35 -1.07 -4.91 119.36 105.82 2dmb n ILE 21 Ca 0.02 -0.91 -0.34 0.00 -0.27 0.00 0.00 62.75 61.25 2dmb n ILE 21 Cb 0.49 0.09 -0.06 0.00 -1.74 0.00 0.00 39.64 38.41 2dmb n ILE 21 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2dmb s ALA 22 N -1.71 3.22 0.55 -1.28 0.00 -1.12 -4.92 121.76 116.50 2dmb s ALA 22 Ca 0.40 0.27 0.43 0.00 0.00 0.00 0.00 51.96 53.06 2dmb s ALA 22 Cb 0.25 -2.98 1.64 0.00 0.00 0.00 0.00 23.12 22.03 2dmb s ALA 22 CO 0.20 0.23 1.70 0.77 0.00 0.00 0.00 175.76 178.67 2dmb h SER 23 N 2.48 0.00 -5.08 0.00 0.02 -1.91 -3.41 113.55 105.66 2dmb h SER 23 Ca -0.48 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.33 2dmb h SER 23 Cb 1.18 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 63.54 2dmb h SER 23 CO 0.64 0.00 -0.61 0.42 -1.14 0.00 0.00 176.83 176.14 2dmb s THR 24 N -4.91 0.14 0.32 -2.27 -4.23 -1.26 -1.78 115.64 101.64 2dmb s THR 24 Ca -0.05 -1.16 -0.01 0.00 -1.18 0.00 0.00 61.69 59.29 2dmb s THR 24 Cb 0.25 -0.79 0.00 0.00 1.34 0.00 0.00 72.50 73.30 2dmb s THR 24 CO 0.85 -0.64 0.43 1.33 -0.54 0.00 0.00 174.62 176.05 2dmb n VAL 25 N 0.94 0.00 -4.04 2.29 0.24 -0.57 -4.86 118.33 112.33 2dmb n VAL 25 Ca -0.20 -1.68 -0.27 0.00 -2.04 0.00 0.00 64.34 60.15 2dmb n VAL 25 Cb 0.58 1.01 -0.05 0.00 -1.47 0.00 0.00 33.84 33.90 2dmb n VAL 25 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2dmb s LYS 26 N -2.77 3.02 0.10 7.34 2.20 -1.26 -0.54 119.74 127.83 2dmb s LYS 26 Ca 0.27 -0.76 -0.04 0.00 -0.36 0.00 0.00 55.97 55.09 2dmb s LYS 26 Cb -0.01 -2.74 -0.05 0.00 -1.51 0.00 0.00 37.83 33.52 2dmb s LYS 26 CO 0.20 0.52 0.33 0.95 -0.36 0.00 0.00 175.35 176.98 2dmb s THR 27 N -1.65 5.23 0.00 3.43 -4.23 -0.73 -4.31 115.64 113.38 2dmb s THR 27 Ca 0.31 -0.01 0.00 0.00 -1.18 0.00 0.00 61.69 60.81 2dmb s THR 27 Cb -0.11 -3.62 0.00 0.00 1.34 0.00 0.00 72.50 70.11 2dmb s THR 27 CO 0.24 0.12 0.00 0.61 -0.54 0.00 0.00 174.62 175.05 2dmb n GLY 28 N 0.31 2.00 3.78 3.99 0.00 0.19 -4.90 105.19 110.56 2dmb n GLY 28 Ca -0.04 -0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 2dmb n GLY 28 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dmb s GLU 29 N 0.00 3.58 -0.57 1.61 0.41 -1.26 -4.76 118.70 117.70 2dmb s GLU 29 Ca 0.00 1.57 -0.28 0.00 -0.41 0.00 0.00 54.97 55.85 2dmb s GLU 29 Cb 0.00 -2.12 0.03 0.00 -1.78 0.00 0.00 34.13 30.26 2dmb s GLU 29 CO 0.00 -0.66 1.18 -2.00 -0.49 0.00 0.00 175.26 173.29 2dmb s GLU 30 N -3.14 3.52 0.53 1.61 2.12 -1.26 -4.24 118.70 117.85 2dmb s GLU 30 Ca 0.69 0.26 -0.13 0.00 0.36 0.00 0.00 54.97 56.15 2dmb s GLU 30 Cb -0.23 -4.01 -0.06 0.00 0.26 0.00 0.00 34.13 30.09 2dmb s GLU 30 CO 0.26 -1.65 0.95 0.08 -0.54 0.00 0.00 175.26 174.36 2dmb s VAL 31 N 4.88 4.65 -0.30 3.70 1.01 0.87 -4.92 120.40 130.29 2dmb s VAL 31 Ca 0.43 0.96 -0.12 0.00 0.00 0.00 0.00 61.98 63.25 2dmb s VAL 31 Cb -0.08 -3.78 0.17 0.00 0.00 0.00 0.00 36.38 32.70 2dmb s VAL 31 CO 0.26 -0.81 0.92 -0.83 0.00 0.00 0.00 175.10 174.63 2dmb s GLY 32 N -3.48 -0.38 0.46 4.51 0.00 -1.26 -1.63 107.32 105.54 2dmb s GLY 32 Ca 0.56 2.76 0.05 0.00 0.00 0.00 0.00 44.72 48.09 2dmb s GLY 32 CO 0.39 3.36 0.05 -0.11 0.00 0.00 0.00 173.10 176.79 2dmb s PHE 33 N 2.66 2.20 -0.06 1.90 -0.71 0.28 -4.24 117.98 120.02 2dmb s PHE 33 Ca 0.00 -0.79 -0.06 0.00 -1.04 0.00 0.00 56.93 55.04 2dmb s PHE 33 Cb -0.09 -1.74 0.02 0.00 -1.21 0.00 0.00 43.02 40.00 2dmb s PHE 33 CO -0.17 0.27 0.17 0.54 -1.34 0.00 0.00 175.22 174.69 2dmb s VAL 34 N -2.77 0.01 -0.25 -2.49 0.11 0.22 -1.59 120.40 113.64 2dmb s VAL 34 Ca 0.24 -0.07 -0.09 0.00 -2.93 0.00 0.00 61.98 59.13 2dmb s VAL 34 Cb 0.05 -0.27 -0.04 0.00 -1.53 0.00 0.00 36.38 34.59 2dmb s VAL 34 CO 0.13 -0.04 0.11 -0.69 -3.33 0.00 0.00 175.10 171.28 2dmb s VAL 35 N -0.06 4.74 -0.20 2.04 1.01 -0.74 -0.69 120.40 126.51 2dmb s VAL 35 Ca -0.02 -0.03 -0.09 0.00 0.00 0.00 0.00 61.98 61.85 2dmb s VAL 35 Cb -0.02 -3.22 -0.05 0.00 0.00 0.00 0.00 36.38 33.10 2dmb s VAL 35 CO 0.00 0.33 0.11 -0.62 0.00 0.00 0.00 175.10 174.92 2dmb s ASP 36 N 1.43 5.98 -0.10 3.32 -1.08 0.33 -3.20 116.67 123.35 2dmb s ASP 36 Ca 0.06 0.16 0.02 0.00 -0.52 0.00 0.00 52.55 52.27 2dmb s ASP 36 Cb -0.15 -2.04 0.01 0.00 -1.46 0.00 0.00 42.92 39.28 2dmb s ASP 36 CO 0.05 0.17 -0.16 0.00 0.52 0.00 0.00 175.17 175.75 2dmb s ALA 37 N 0.42 1.68 0.03 3.66 0.00 -1.26 -0.15 121.76 126.15 2dmb s ALA 37 Ca 0.06 -0.71 -0.01 0.00 0.00 0.00 0.00 51.96 51.30 2dmb s ALA 37 Cb -0.12 -0.78 -0.00 0.00 0.00 0.00 0.00 23.12 22.22 2dmb s ALA 37 CO -0.01 0.01 -0.02 1.63 0.00 0.00 0.00 175.76 177.37 2dmb n LYS 38 N 4.04 0.03 0.03 0.00 5.02 -1.26 -4.83 118.16 121.18 2dmb n LYS 38 Ca -0.20 0.01 0.11 0.00 -2.02 0.00 0.00 58.31 56.22 2dmb n LYS 38 Cb 0.52 -0.31 0.05 0.00 -0.02 0.00 0.00 35.03 35.27 2dmb n LYS 38 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2dmb n THR 39 N -3.00 0.19 -0.23 -0.18 -2.24 -1.26 -4.29 114.28 103.26 2dmb n THR 39 Ca -0.01 -0.23 0.03 0.00 -2.27 0.00 0.00 64.05 61.57 2dmb n THR 39 Cb 0.03 0.17 0.13 0.00 -2.10 0.00 0.00 70.33 68.56 2dmb n THR 39 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dmb h ALA 40 N 2.56 0.71 0.00 6.98 0.00 -1.81 -3.44 119.26 124.26 2dmb h ALA 40 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2dmb h ALA 40 Cb 0.72 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2dmb h ALA 40 CO 0.00 -0.40 0.00 0.41 0.00 0.00 0.00 179.25 179.26 2dmb n GLY 41 N -1.39 0.85 3.90 0.00 0.00 -1.26 -0.22 105.19 107.07 2dmb n GLY 41 Ca 0.11 -1.63 -0.32 0.00 0.00 0.00 0.00 46.02 44.19 2dmb n GLY 41 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dmb s LYS 42 N 0.00 3.56 0.00 1.61 2.20 -1.26 -4.96 119.74 120.89 2dmb s LYS 42 Ca 0.00 -0.19 0.00 0.00 -0.36 0.00 0.00 55.97 55.42 2dmb s LYS 42 Cb 0.00 -2.92 0.00 0.00 -1.51 0.00 0.00 37.83 33.40 2dmb s LYS 42 CO 0.00 0.52 0.00 0.41 -0.36 0.00 0.00 175.35 175.92 2dmb n GLY 43 N 0.24 3.78 3.91 5.54 0.00 -1.26 -3.26 105.19 114.14 2dmb n GLY 43 Ca -0.04 -0.83 -0.32 0.00 0.00 0.00 0.00 46.02 44.83 2dmb n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dmb s LYS 44 N -2.48 3.48 -0.25 1.61 1.02 -1.26 -4.68 119.74 117.17 2dmb s LYS 44 Ca 0.00 -0.32 -0.06 0.00 0.02 0.00 0.00 55.97 55.61 2dmb s LYS 44 Cb 0.00 -3.04 -0.01 0.00 -0.52 0.00 0.00 37.83 34.26 2dmb s LYS 44 CO 0.00 0.61 0.04 0.08 -0.92 0.00 0.00 175.35 175.17 2dmb s VAL 45 N -1.45 3.95 -0.13 3.17 1.01 -1.25 -1.59 120.40 124.10 2dmb s VAL 45 Ca 0.33 -0.41 -0.04 0.00 0.00 0.00 0.00 61.98 61.86 2dmb s VAL 45 Cb -0.13 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 2dmb s VAL 45 CO 0.24 0.29 0.03 0.42 0.00 0.00 0.00 175.10 176.08 2dmb s THR 46 N 1.54 4.52 0.08 3.92 -4.23 -0.71 -4.94 115.64 115.82 2dmb s THR 46 Ca 0.05 -0.15 0.09 0.00 -1.18 0.00 0.00 61.69 60.50 2dmb s THR 46 Cb -0.15 -2.97 -0.03 0.00 1.34 0.00 0.00 72.50 70.69 2dmb s THR 46 CO 0.01 0.54 -0.24 0.00 -0.54 0.00 0.00 174.62 174.40 2dmb s THR 48 N -0.94 -0.44 -0.45 0.00 2.01 -1.13 -4.83 115.64 109.87 2dmb s THR 48 Ca 0.10 -0.25 -0.29 0.00 0.31 0.00 0.00 61.69 61.57 2dmb s THR 48 Cb -0.10 -0.84 0.03 0.00 0.01 0.00 0.00 72.50 71.60 2dmb s THR 48 CO 0.04 -0.28 1.15 -0.69 -0.69 0.00 0.00 174.62 174.15 2dmb s VAL 49 N 2.41 4.23 -0.38 3.82 1.01 -1.26 -2.81 120.40 127.42 2dmb s VAL 49 Ca 0.09 1.28 -0.13 0.00 0.00 0.00 0.00 61.98 63.23 2dmb s VAL 49 Cb -0.15 -4.54 0.01 0.00 0.00 0.00 0.00 36.38 31.70 2dmb s VAL 49 CO -0.21 -0.90 0.25 -0.22 0.00 0.00 0.00 175.10 174.02 2dmb s LEU 50 N 4.40 4.80 0.47 3.92 0.20 -0.19 -1.82 118.68 130.47 2dmb s LEU 50 Ca 0.49 -0.78 -0.21 0.00 0.69 0.00 0.00 54.13 54.32 2dmb s LEU 50 Cb -0.09 -2.11 -0.08 0.00 -0.43 0.00 0.00 46.19 43.48 2dmb s LEU 50 CO 0.29 -0.36 1.07 0.42 -0.29 0.00 0.00 176.35 177.48 2dmb s THR 51 N 1.66 3.60 -1.93 3.68 -4.23 -0.70 -1.69 115.64 116.03 2dmb s THR 51 Ca 0.05 1.07 0.16 0.00 -1.18 0.00 0.00 61.69 61.78 2dmb s THR 51 Cb -0.18 -3.47 0.42 0.00 1.34 0.00 0.00 72.50 70.61 2dmb s THR 51 CO 0.09 -0.15 1.35 -0.81 -0.54 0.00 0.00 174.62 174.56 2dmb n PRO 52 N -0.78 0.45 0.00 3.99 -0.04 -1.22 -2.06 135.00 135.34 2dmb n PRO 52 Ca 0.09 0.02 0.12 0.00 -0.04 0.00 0.00 63.50 63.69 2dmb n PRO 52 Cb 0.51 -1.50 0.31 0.00 -0.04 0.00 0.00 33.50 32.78 2dmb n PRO 52 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2dmb n ASP 53 N -1.03 0.82 0.00 3.54 8.00 -1.26 -4.93 116.55 121.69 2dmb n ASP 53 Ca 0.11 -0.64 0.00 0.00 0.71 0.00 0.00 54.79 54.97 2dmb n ASP 53 Cb 0.06 0.21 0.00 0.00 -0.02 0.00 0.00 41.12 41.37 2dmb n ASP 53 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dmb n GLY 54 N 1.41 1.10 3.12 0.44 0.00 -0.87 -5.09 105.19 105.30 2dmb n GLY 54 Ca 0.09 -0.40 -0.20 0.00 0.00 0.00 0.00 46.02 45.52 2dmb n GLY 54 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dmb s THR 55 N -2.00 1.03 -0.26 2.61 -4.23 -1.25 -5.02 115.64 106.52 2dmb s THR 55 Ca 0.00 -0.87 -0.17 0.00 -1.18 0.00 0.00 61.69 59.47 2dmb s THR 55 Cb 0.00 -0.92 -0.03 0.00 1.34 0.00 0.00 72.50 72.89 2dmb s THR 55 CO 0.00 0.06 0.48 -1.61 -0.54 0.00 0.00 174.62 173.00 2dmb s GLU 56 N -0.92 4.06 0.75 3.99 2.02 -1.26 -1.73 118.70 125.60 2dmb s GLU 56 Ca 0.02 0.25 -0.06 0.00 0.02 0.00 0.00 54.97 55.20 2dmb s GLU 56 Cb -0.07 -3.65 0.16 0.00 0.10 0.00 0.00 34.13 30.67 2dmb s GLU 56 CO 0.01 -0.33 1.02 0.00 0.02 0.00 0.00 175.26 175.98 2dmb n ALA 57 N 5.46 -0.41 -2.82 5.21 0.00 -0.76 -5.00 120.51 122.19 2dmb n ALA 57 Ca -0.05 -1.70 -0.36 0.00 0.00 0.00 0.00 53.44 51.33 2dmb n ALA 57 Cb 0.50 0.15 -0.07 0.00 0.00 0.00 0.00 19.45 20.03 2dmb n ALA 57 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2dmb s GLU 58 N -5.15 3.72 -0.18 0.00 8.01 -1.26 -4.54 118.70 119.30 2dmb s GLU 58 Ca 0.63 -0.17 -0.01 0.00 0.01 0.00 0.00 54.97 55.44 2dmb s GLU 58 Cb -0.03 -3.27 0.05 0.00 -4.31 0.00 0.00 34.13 26.57 2dmb s GLU 58 CO 0.43 0.60 -0.04 0.00 0.01 0.00 0.00 175.26 176.26 2dmb s ALA 59 N -0.51 1.49 0.31 5.21 0.00 -1.26 -4.88 121.76 122.12 2dmb s ALA 59 Ca 0.12 -0.88 -0.29 0.00 0.00 0.00 0.00 51.96 50.91 2dmb s ALA 59 Cb -0.12 -1.16 -0.10 0.00 0.00 0.00 0.00 23.12 21.74 2dmb s ALA 59 CO 0.02 -0.87 1.21 -0.51 0.00 0.00 0.00 175.76 175.60 2dmb s ASP 60 N 1.62 7.01 -0.12 0.00 1.11 -1.24 -4.95 116.67 120.11 2dmb s ASP 60 Ca -0.00 2.48 -0.00 0.00 0.18 0.00 0.00 52.55 55.21 2dmb s ASP 60 Cb -0.16 -2.64 0.03 0.00 1.07 0.00 0.00 42.92 41.22 2dmb s ASP 60 CO -0.07 -0.34 -0.07 -0.69 1.18 0.00 0.00 175.17 175.17 2dmb s VAL 61 N -1.14 1.01 -0.07 -1.27 1.01 -1.26 -3.45 120.40 115.23 2dmb s VAL 61 Ca 0.47 -0.33 0.05 0.00 0.00 0.00 0.00 61.98 62.17 2dmb s VAL 61 Cb -0.36 -1.07 -0.01 0.00 0.00 0.00 0.00 36.38 34.94 2dmb s VAL 61 CO 0.47 0.32 -0.24 -0.63 0.00 0.00 0.00 175.10 175.02 2dmb s ILE 62 N 1.71 2.12 0.22 2.22 1.09 -0.67 -4.96 121.20 122.92 2dmb s ILE 62 Ca 0.04 -1.04 -0.03 0.00 -1.10 0.00 0.00 60.65 58.53 2dmb s ILE 62 Cb -0.13 -1.78 -0.05 0.00 -1.06 0.00 0.00 42.46 39.45 2dmb s ILE 62 CO -0.08 0.57 0.44 -1.83 -0.10 0.00 0.00 174.94 173.94 2dmb s GLU 63 N -0.08 3.57 0.04 2.79 -1.05 -1.26 -0.22 118.70 122.50 2dmb s GLU 63 Ca -0.06 -0.19 0.04 0.00 -0.15 0.00 0.00 54.97 54.61 2dmb s GLU 63 Cb -0.14 -2.78 -0.02 0.00 -0.44 0.00 0.00 34.13 30.74 2dmb s GLU 63 CO 0.05 0.35 -0.13 -0.80 0.95 0.00 0.00 175.26 175.68 2dmb s ASN 64 N -3.05 1.54 0.65 0.83 0.01 -0.18 -4.94 114.94 109.81 2dmb s ASN 64 Ca 0.41 -0.47 0.30 0.00 -0.71 0.00 0.00 52.86 52.38 2dmb s ASN 64 Cb -0.11 -0.08 1.60 0.00 0.41 0.00 0.00 41.25 43.07 2dmb s ASN 64 CO 0.29 -0.00 1.92 -0.33 -1.51 0.00 0.00 177.10 177.46 2dmb h GLU 65 N 4.84 0.00 -1.18 -0.60 4.39 -2.00 -0.13 114.58 119.91 2dmb h GLU 65 Ca -0.38 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.18 2dmb h GLU 65 Cb 1.18 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.76 2dmb h GLU 65 CO 0.43 0.00 0.18 -0.25 -1.16 0.00 0.00 179.01 178.21 2dmb n ASP 66 N -3.03 3.84 -4.23 1.42 8.00 -1.26 -4.82 116.55 116.47 2dmb n ASP 66 Ca -0.00 -2.48 -0.37 0.00 0.71 0.00 0.00 54.79 52.65 2dmb n ASP 66 Cb 0.42 -0.70 -0.03 0.00 -0.02 0.00 0.00 41.12 40.79 2dmb n ASP 66 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dmb n GLY 67 N 0.28 -0.45 3.51 0.44 0.00 -0.07 -4.76 105.19 104.15 2dmb n GLY 67 Ca 0.15 0.12 -0.24 0.00 0.00 0.00 0.00 46.02 46.06 2dmb n GLY 67 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dmb s THR 68 N -3.25 1.50 -0.02 2.61 -4.23 -1.18 -4.11 115.64 106.97 2dmb s THR 68 Ca 0.75 -2.01 0.01 0.00 -1.18 0.00 0.00 61.69 59.26 2dmb s THR 68 Cb -0.41 -2.85 0.01 0.00 1.34 0.00 0.00 72.50 70.59 2dmb s THR 68 CO 0.92 -0.01 -0.02 -0.31 -0.54 0.00 0.00 174.62 174.66 2dmb s TYR 69 N -3.07 0.31 -0.23 3.99 1.51 -1.19 -1.01 117.35 117.66 2dmb s TYR 69 Ca 0.36 -0.03 -0.04 0.00 -1.01 0.00 0.00 57.07 56.34 2dmb s TYR 69 Cb 0.09 -0.31 -0.01 0.00 -0.11 0.00 0.00 41.96 41.62 2dmb s TYR 69 CO 0.16 -0.07 -0.02 -0.51 -1.11 0.00 0.00 175.55 174.00 2dmb s ASP 70 N 0.49 4.45 0.07 2.29 1.11 0.70 -1.79 116.67 123.99 2dmb s ASP 70 Ca -0.05 -0.38 0.10 0.00 0.18 0.00 0.00 52.55 52.39 2dmb s ASP 70 Cb -0.08 -1.77 -0.03 0.00 1.07 0.00 0.00 42.92 42.11 2dmb s ASP 70 CO -0.01 -0.03 -0.26 -0.63 1.18 0.00 0.00 175.17 175.42 2dmb s ILE 71 N 1.50 2.14 0.04 0.77 1.01 -0.62 -1.68 121.20 124.36 2dmb s ILE 71 Ca 0.06 -1.50 0.00 0.00 0.00 0.00 0.00 60.65 59.21 2dmb s ILE 71 Cb -0.14 -1.86 -0.03 0.00 0.01 0.00 0.00 42.46 40.44 2dmb s ILE 71 CO -0.02 0.26 -0.04 -0.36 0.00 0.00 0.00 174.94 174.78 2dmb s PHE 72 N -0.90 0.45 0.11 3.97 0.40 -1.22 -0.55 117.98 120.24 2dmb s PHE 72 Ca 0.12 -0.71 -0.25 0.00 -0.60 0.00 0.00 56.93 55.49 2dmb s PHE 72 Cb -0.10 -0.31 0.08 0.00 0.51 0.00 0.00 43.02 43.20 2dmb s PHE 72 CO 0.03 -0.22 0.74 1.52 0.70 0.00 0.00 175.22 177.99 2dmb s TYR 73 N -2.31 -0.41 0.03 0.36 -0.85 -0.64 -3.70 117.35 109.83 2dmb s TYR 73 Ca -0.06 0.21 0.06 0.00 -0.52 0.00 0.00 57.07 56.76 2dmb s TYR 73 Cb -0.04 0.57 -0.02 0.00 0.38 0.00 0.00 41.96 42.85 2dmb s TYR 73 CO -0.04 -0.77 -0.18 0.99 -1.52 0.00 0.00 175.55 174.03 2dmb s THR 74 N -3.50 1.47 -0.46 -3.49 2.01 -1.26 -0.09 115.64 110.32 2dmb s THR 74 Ca 0.04 -1.07 -0.11 0.00 0.31 0.00 0.00 61.69 60.87 2dmb s THR 74 Cb -0.01 -1.28 0.10 0.00 0.01 0.00 0.00 72.50 71.32 2dmb s THR 74 CO -0.09 0.19 0.33 0.00 -0.69 0.00 0.00 174.62 174.36 2dmb s ALA 75 N -0.74 3.40 0.15 7.40 0.00 -1.26 -4.95 121.76 125.76 2dmb s ALA 75 Ca 0.06 -2.34 -0.16 0.00 0.00 0.00 0.00 51.96 49.51 2dmb s ALA 75 Cb -0.08 -2.83 0.03 0.00 0.00 0.00 0.00 23.12 20.23 2dmb s ALA 75 CO 0.01 -1.80 1.79 0.00 0.00 0.00 0.00 175.76 175.76 2dmb h ALA 76 N 8.52 0.47 -2.97 0.00 0.00 -1.95 0.54 119.26 123.86 2dmb h ALA 76 Ca -0.24 -0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.34 2dmb h ALA 76 Cb 1.08 -0.09 -0.19 0.00 0.00 0.00 0.00 17.79 18.59 2dmb h ALA 76 CO 0.84 -0.14 -0.74 0.15 0.00 0.00 0.00 179.25 179.36 2dmb s LYS 77 N -6.16 0.77 0.68 0.00 -0.14 -1.26 -4.62 119.74 109.01 2dmb s LYS 77 Ca -0.13 -1.03 -0.14 0.00 -1.36 0.00 0.00 55.97 53.31 2dmb s LYS 77 Cb 0.11 -0.55 0.01 0.00 -1.68 0.00 0.00 37.83 35.72 2dmb s LYS 77 CO 0.72 0.10 1.11 -1.25 -0.76 0.00 0.00 175.35 175.26 2dmb s PRO 78 N -2.31 2.71 0.00 -1.68 0.04 -1.26 -4.96 135.00 127.54 2dmb s PRO 78 Ca 0.01 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.40 2dmb s PRO 78 Cb -0.06 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.54 2dmb s PRO 78 CO 0.01 -1.31 0.00 0.41 0.04 0.00 0.00 177.00 176.14 2dmb n GLY 79 N -0.64 -0.27 3.24 0.56 0.00 -0.84 -4.99 105.19 102.26 2dmb n GLY 79 Ca 0.10 -0.95 -0.38 0.00 0.00 0.00 0.00 46.02 44.79 2dmb n GLY 79 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dmb s THR 80 N -3.94 3.82 -0.02 2.61 2.01 -1.26 -2.11 115.64 116.75 2dmb s THR 80 Ca 0.00 -1.43 -0.09 0.00 0.31 0.00 0.00 61.69 60.47 2dmb s THR 80 Cb 0.00 -3.32 -0.05 0.00 0.01 0.00 0.00 72.50 69.14 2dmb s THR 80 CO 0.00 -0.41 0.29 -0.31 -0.69 0.00 0.00 174.62 173.51 2dmb s TYR 81 N 1.35 3.63 -0.20 4.92 1.51 0.41 -3.40 117.35 125.57 2dmb s TYR 81 Ca 0.02 0.71 0.02 0.00 -1.01 0.00 0.00 57.07 56.80 2dmb s TYR 81 Cb -0.22 -2.08 0.03 0.00 -0.11 0.00 0.00 41.96 39.59 2dmb s TYR 81 CO 0.01 0.64 -0.16 0.08 -1.11 0.00 0.00 175.55 175.01 2dmb s VAL 82 N -1.18 2.01 -0.20 0.71 1.01 -0.68 -1.97 120.40 120.11 2dmb s VAL 82 Ca 0.24 -1.12 -0.06 0.00 0.00 0.00 0.00 61.98 61.03 2dmb s VAL 82 Cb -0.14 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.27 2dmb s VAL 82 CO 0.12 0.33 0.03 -0.63 0.00 0.00 0.00 175.10 174.96 2dmb s ILE 83 N 1.26 4.32 -0.25 2.22 1.01 -1.14 -1.02 121.20 127.60 2dmb s ILE 83 Ca 0.00 -0.19 -0.09 0.00 0.00 0.00 0.00 60.65 60.37 2dmb s ILE 83 Cb -0.15 -2.96 -0.04 0.00 0.01 0.00 0.00 42.46 39.31 2dmb s ILE 83 CO -0.10 0.42 0.13 -0.31 0.00 0.00 0.00 174.94 175.08 2dmb s TYR 84 N 0.85 3.20 -0.15 3.97 2.02 -1.12 -1.24 117.35 124.86 2dmb s TYR 84 Ca 0.02 -0.04 0.02 0.00 -0.37 0.00 0.00 57.07 56.70 2dmb s TYR 84 Cb -0.14 -2.27 0.01 0.00 -0.40 0.00 0.00 41.96 39.16 2dmb s TYR 84 CO 0.02 -0.14 -0.20 0.08 -1.57 0.00 0.00 175.55 173.74 2dmb s VAL 85 N 1.40 2.00 -0.03 0.71 1.01 -1.25 -2.83 120.40 121.41 2dmb s VAL 85 Ca 0.06 -0.93 0.04 0.00 0.00 0.00 0.00 61.98 61.15 2dmb s VAL 85 Cb -0.15 -1.79 -0.00 0.00 0.00 0.00 0.00 36.38 34.44 2dmb s VAL 85 CO 0.06 0.53 -0.14 -0.60 0.00 0.00 0.00 175.10 174.96 2dmb s ARG 86 N 1.05 1.38 -0.20 2.72 3.52 -1.08 -3.50 118.95 122.85 2dmb s ARG 86 Ca -0.02 -0.47 -0.01 0.00 -0.13 0.00 0.00 55.73 55.10 2dmb s ARG 86 Cb -0.14 -1.24 0.01 0.00 -1.56 0.00 0.00 34.95 32.02 2dmb s ARG 86 CO -0.07 0.20 -0.14 0.12 -0.81 0.00 0.00 175.30 174.60 2dmb s PHE 87 N 0.06 2.86 -1.40 5.12 2.19 0.58 -1.74 117.98 125.65 2dmb s PHE 87 Ca -0.03 -1.44 -0.11 0.00 0.33 0.00 0.00 56.93 55.69 2dmb s PHE 87 Cb -0.10 -1.98 0.08 0.00 -1.31 0.00 0.00 43.02 39.71 2dmb s PHE 87 CO 0.01 -0.73 0.62 0.41 1.83 0.00 0.00 175.22 177.37 2dmb n GLY 88 N 4.67 -0.49 2.04 13.12 0.00 -0.62 -0.24 105.19 123.67 2dmb n GLY 88 Ca -0.20 0.12 -0.02 0.00 0.00 0.00 0.00 46.02 45.92 2dmb n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dmb n GLY 89 N -1.33 0.40 2.86 -0.02 0.00 -1.26 -4.77 105.19 101.08 2dmb n GLY 89 Ca -0.00 -0.92 -0.27 0.00 0.00 0.00 0.00 46.02 44.83 2dmb n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dmb s VAL 90 N -2.07 0.91 -0.67 1.61 1.01 0.67 -5.09 120.40 116.77 2dmb s VAL 90 Ca 0.00 -0.38 -0.27 0.00 0.00 0.00 0.00 61.98 61.33 2dmb s VAL 90 Cb 0.00 -1.05 0.01 0.00 0.00 0.00 0.00 36.38 35.34 2dmb s VAL 90 CO 0.00 0.21 1.45 -0.62 0.00 0.00 0.00 175.10 176.13 2dmb s ASP 91 N 1.73 5.94 0.78 3.32 2.15 -1.26 -0.31 116.67 129.02 2dmb s ASP 91 Ca 0.03 -0.11 -0.17 0.00 0.43 0.00 0.00 52.55 52.73 2dmb s ASP 91 Cb -0.14 -2.55 -0.13 0.00 -0.30 0.00 0.00 42.92 39.80 2dmb s ASP 91 CO -0.07 -1.94 -0.38 2.30 -0.17 0.00 0.00 175.17 174.90 2dmb n ILE 92 N 6.68 0.15 0.98 4.11 -5.35 -1.23 -4.75 119.36 119.95 2dmb n ILE 92 Ca 0.09 -0.48 0.05 0.00 -0.27 0.00 0.00 62.75 62.14 2dmb n ILE 92 Cb 0.50 -0.08 0.31 0.00 -1.74 0.00 0.00 39.64 38.62 2dmb n ILE 92 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 2dmb n PRO 93 N 1.70 0.49 0.00 6.28 -0.04 -1.26 -1.78 135.00 140.38 2dmb n PRO 93 Ca 0.03 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.56 2dmb n PRO 93 Cb 0.52 -1.33 -0.06 0.00 -0.04 0.00 0.00 33.50 32.59 2dmb n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2dmb n ASN 94 N -0.83 0.96 -4.87 3.54 3.02 -1.26 -4.97 115.26 110.85 2dmb n ASN 94 Ca 0.08 -0.98 -0.36 0.00 -0.03 0.00 0.00 54.58 53.29 2dmb n ASN 94 Cb 0.04 0.83 -0.06 0.00 -0.61 0.00 0.00 39.78 39.98 2dmb n ASN 94 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2dmb s SER 95 N -2.19 6.60 1.15 6.41 0.15 -0.73 -3.76 113.70 121.33 2dmb s SER 95 Ca 0.08 0.72 -0.17 0.00 0.70 0.00 0.00 55.95 57.27 2dmb s SER 95 Cb 0.11 -2.15 0.26 0.00 -1.71 0.00 0.00 66.02 62.53 2dmb s SER 95 CO 0.53 0.26 1.11 -2.16 1.20 0.00 0.00 173.24 174.17 2dmb s PRO 96 N -1.57 -0.81 -0.31 5.44 0.04 -1.26 -4.90 135.00 131.63 2dmb s PRO 96 Ca 0.27 0.08 -0.04 0.00 0.04 0.00 0.00 61.00 61.35 2dmb s PRO 96 Cb -0.14 -1.63 0.04 0.00 0.04 0.00 0.00 34.50 32.81 2dmb s PRO 96 CO 0.15 -3.46 0.04 -0.06 0.04 0.00 0.00 177.00 173.70 2dmb s PHE 97 N -3.00 3.25 -0.44 0.56 0.40 -0.37 -4.97 117.98 113.40 2dmb s PHE 97 Ca 0.69 -1.67 -0.28 0.00 -0.60 0.00 0.00 56.93 55.08 2dmb s PHE 97 Cb -0.12 -2.17 -0.00 0.00 0.51 0.00 0.00 43.02 41.23 2dmb s PHE 97 CO 0.56 -0.77 1.60 0.99 0.70 0.00 0.00 175.22 178.31 2dmb s THR 98 N 1.32 3.67 -0.22 0.64 2.01 -1.26 -2.89 115.64 118.91 2dmb s THR 98 Ca -0.04 0.63 0.02 0.00 0.31 0.00 0.00 61.69 62.61 2dmb s THR 98 Cb -0.19 -4.03 0.04 0.00 0.01 0.00 0.00 72.50 68.33 2dmb s THR 98 CO 0.00 -0.74 -0.14 -0.69 -0.69 0.00 0.00 174.62 172.36 2dmb s VAL 99 N 6.53 2.00 -0.48 3.82 1.01 -0.83 -4.31 120.40 128.14 2dmb s VAL 99 Ca 0.66 -1.23 -0.15 0.00 0.00 0.00 0.00 61.98 61.26 2dmb s VAL 99 Cb -0.16 -1.99 0.08 0.00 0.00 0.00 0.00 36.38 34.31 2dmb s VAL 99 CO 0.30 0.22 0.41 -0.32 0.00 0.00 0.00 175.10 175.71 2dmb s MET 100 N 1.24 2.97 -0.00 2.72 1.75 -0.74 -0.44 119.30 126.80 2dmb s MET 100 Ca -0.02 -1.41 -0.30 0.00 -1.25 0.00 0.00 55.69 52.71 2dmb s MET 100 Cb -0.17 -4.15 -0.03 0.00 2.84 0.00 0.00 34.83 33.33 2dmb s MET 100 CO -0.09 -1.07 0.96 0.00 -0.65 0.00 0.00 175.02 174.17 2dmb s ALA 101 N 1.63 3.17 0.05 4.11 0.00 -0.90 -1.51 121.76 128.32 2dmb s ALA 101 Ca 0.04 0.52 0.05 0.00 0.00 0.00 0.00 51.96 52.56 2dmb s ALA 101 Cb -0.25 -3.32 -0.02 0.00 0.00 0.00 0.00 23.12 19.53 2dmb s ALA 101 CO 0.06 -0.22 -0.13 0.95 0.00 0.00 0.00 175.76 176.42 2dmb s THR 102 N 0.99 1.02 0.39 0.00 -4.23 0.30 -1.98 115.64 112.12 2dmb s THR 102 Ca 0.51 -1.12 0.17 0.00 -1.18 0.00 0.00 61.69 60.07 2dmb s THR 102 Cb -0.21 -0.96 0.17 0.00 1.34 0.00 0.00 72.50 72.84 2dmb s THR 102 CO 0.27 -0.14 1.92 -2.24 -0.54 0.00 0.00 174.62 173.90 2dmb h ASP 103 N 4.63 0.00 0.00 3.99 3.04 -1.90 -1.94 116.42 124.24 2dmb h ASP 103 Ca -0.39 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.40 2dmb h ASP 103 Cb 1.19 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.48 2dmb h ASP 103 CO 0.42 0.26 0.00 0.61 -2.04 0.00 0.00 179.24 178.49 2dmb n GLY 104 N -0.61 1.95 3.67 7.15 0.00 -1.26 -4.63 105.19 111.44 2dmb n GLY 104 Ca -0.02 0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 2dmb n GLY 104 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dmb s GLU 105 N 0.00 4.17 -0.01 1.61 2.02 -1.26 -5.07 118.70 120.15 2dmb s GLU 105 Ca 0.00 0.24 0.02 0.00 0.02 0.00 0.00 54.97 55.25 2dmb s GLU 105 Cb 0.00 -3.55 -0.03 0.00 0.10 0.00 0.00 34.13 30.65 2dmb s GLU 105 CO 0.00 -0.07 -0.05 0.08 0.02 0.00 0.00 175.26 175.24 2dmb s VAL 106 N 1.41 3.79 0.80 2.63 1.01 -1.26 -5.10 120.40 123.68 2dmb s VAL 106 Ca 0.20 -0.67 -0.13 0.00 0.00 0.00 0.00 61.98 61.38 2dmb s VAL 106 Cb -0.15 -2.64 0.08 0.00 0.00 0.00 0.00 36.38 33.67 2dmb s VAL 106 CO 0.08 0.43 1.19 0.42 0.00 0.00 0.00 175.10 177.22 2dmb s THR 107 N -0.98 2.20 0.09 3.92 -4.23 -1.26 -4.94 115.64 110.43 2dmb s THR 107 Ca 0.17 0.08 -0.34 0.00 -1.18 0.00 0.00 61.69 60.42 2dmb s THR 107 Cb -0.11 -2.48 -0.15 0.00 1.34 0.00 0.00 72.50 71.10 2dmb s THR 107 CO 0.07 -0.06 1.59 0.00 -0.54 0.00 0.00 174.62 175.67 2dmb h ALA 108 N -0.90 -0.98 -1.74 3.99 0.00 -2.04 -3.45 119.26 114.13 2dmb h ALA 108 Ca -0.46 -0.16 -0.62 0.00 0.00 0.00 0.00 54.91 53.67 2dmb h ALA 108 Cb 1.29 0.63 -0.13 0.00 0.00 0.00 0.00 17.79 19.57 2dmb h ALA 108 CO 0.47 -1.09 -0.62 0.14 0.00 0.00 0.00 179.25 178.15 2dmb s VAL 109 N -5.94 2.02 -0.04 0.00 -7.23 -1.26 -5.08 120.40 102.87 2dmb s VAL 109 Ca -0.18 -2.05 -0.03 0.00 -1.81 0.00 0.00 61.98 57.92 2dmb s VAL 109 Cb 0.05 -2.90 -0.02 0.00 0.56 0.00 0.00 36.38 34.07 2dmb s VAL 109 CO 0.62 -0.05 -0.07 -0.62 -0.31 0.00 0.00 175.10 174.67 2dmb n GLU 110 N -0.91 0.11 -2.64 4.82 -0.58 -1.26 -5.03 120.64 115.14 2dmb n GLU 110 Ca -0.05 0.05 -0.40 0.00 -0.42 0.00 0.00 57.16 56.34 2dmb n GLU 110 Cb 0.66 -0.68 -0.05 0.00 -0.57 0.00 0.00 31.44 30.79 2dmb n GLU 110 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 2dmb s GLU 111 N -2.10 4.77 -0.04 3.49 2.12 -1.26 -5.05 118.70 120.62 2dmb s GLU 111 Ca -0.07 1.61 -0.01 0.00 0.36 0.00 0.00 54.97 56.86 2dmb s GLU 111 Cb 0.03 -3.25 -0.04 0.00 0.26 0.00 0.00 34.13 31.13 2dmb s GLU 111 CO 0.09 0.39 0.04 0.00 -0.54 0.00 0.00 175.26 175.25 2dmb s ALA 112 N -1.13 3.45 -1.07 6.30 0.00 -1.26 -4.99 121.76 123.06 2dmb s ALA 112 Ca 0.43 -0.84 0.14 0.00 0.00 0.00 0.00 51.96 51.69 2dmb s ALA 112 Cb -0.28 -1.54 0.63 0.00 0.00 0.00 0.00 23.12 21.93 2dmb s ALA 112 CO 0.35 0.64 1.45 -0.35 0.00 0.00 0.00 175.76 177.85 2dmb n PRO 113 N 1.64 0.04 -1.03 0.00 -0.04 -1.26 -4.88 135.00 129.46 2dmb n PRO 113 Ca -0.16 0.24 -0.36 0.00 -0.04 0.00 0.00 63.50 63.18 2dmb n PRO 113 Cb 0.53 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.47 2dmb n PRO 113 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2dmb n VAL 114 N -1.46 1.36 -3.45 0.52 0.24 -1.26 -4.96 118.33 109.31 2dmb n VAL 114 Ca 0.04 -0.34 -0.12 0.00 -2.04 0.00 0.00 64.34 61.88 2dmb n VAL 114 Cb 0.16 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.50 2dmb n VAL 114 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 2dmb s ASN 115 N -0.68 -0.54 -0.20 -1.34 2.47 -1.26 -5.15 114.94 108.24 2dmb s ASN 115 Ca 0.48 0.09 -0.02 0.00 0.42 0.00 0.00 52.86 53.83 2dmb s ASN 115 Cb -0.70 0.55 -0.00 0.00 -1.45 0.00 0.00 41.25 39.64 2dmb s ASN 115 CO 0.41 -0.86 -0.09 0.00 -3.72 0.00 0.00 177.10 172.85 2dmb s ALA 116 N -3.30 2.69 0.19 1.71 0.00 -1.26 -5.08 121.76 116.71 2dmb s ALA 116 Ca 0.00 -1.13 -0.32 0.00 0.00 0.00 0.00 51.96 50.51 2dmb s ALA 116 Cb -0.01 -1.52 -0.16 0.00 0.00 0.00 0.00 23.12 21.43 2dmb s ALA 116 CO -0.09 -0.30 1.11 0.00 0.00 0.00 0.00 175.76 176.48 2dmb s PRO 118 N -0.56 2.56 -0.17 0.00 0.04 -1.26 -4.95 135.00 130.66 2dmb s PRO 118 Ca 0.71 -0.24 -0.15 0.00 0.04 0.00 0.00 61.00 61.36 2dmb s PRO 118 Cb -0.84 -5.02 -0.04 0.00 0.04 0.00 0.00 34.50 28.63 2dmb s PRO 118 CO 0.54 -3.33 0.36 0.45 0.04 0.00 0.00 177.00 175.05 2dmb s SER 119 N 8.03 6.46 0.00 6.66 0.15 -1.26 -4.92 113.70 128.82 2dmb s SER 119 Ca 0.70 0.54 0.00 0.00 0.70 0.00 0.00 55.95 57.89 2dmb s SER 119 Cb -0.07 -2.21 0.00 0.00 -1.71 0.00 0.00 66.02 62.03 2dmb s SER 119 CO 0.01 0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.07 2dmb n GLY 120 N 3.61 -1.72 3.75 9.45 0.00 -1.26 -5.17 105.19 113.86 2dmb n GLY 120 Ca -0.10 0.71 -0.31 0.00 0.00 0.00 0.00 46.02 46.33 2dmb n GLY 120 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dmb s PRO 121 N 0.00 1.94 0.39 1.61 0.04 -1.26 -5.08 135.00 132.63 2dmb s PRO 121 Ca 0.00 1.06 0.04 0.00 0.04 0.00 0.00 61.00 62.14 2dmb s PRO 121 Cb 0.00 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.64 2dmb s PRO 121 CO 0.00 -1.84 0.10 -1.54 0.04 0.00 0.00 177.00 173.76 2dmb s SER 122 N -3.40 2.72 -0.03 6.66 1.04 -1.26 -5.17 113.70 114.26 2dmb s SER 122 Ca 0.62 -1.59 -0.10 0.00 0.48 0.00 0.00 55.95 55.36 2dmb s SER 122 Cb -0.17 0.34 0.01 0.00 0.10 0.00 0.00 66.02 66.31 2dmb s SER 122 CO 0.56 -0.84 0.23 -0.55 0.98 0.00 0.00 173.24 173.62 2dmb s SER 123 N -3.58 -0.12 0.00 7.02 0.15 -1.26 -5.36 113.70 110.54 2dmb s SER 123 Ca 0.26 0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.99 2dmb s SER 123 Cb 0.04 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 2dmb s SER 123 CO 0.14 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.86