#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmc s SER 2 N 0.00 7.23 -0.88 1.61 0.01 -1.26 -5.01 113.70 115.40 2dmc s SER 2 Ca 0.00 1.47 -0.07 0.00 1.31 0.00 0.00 55.95 58.66 2dmc s SER 2 Cb 0.00 -2.48 0.22 0.00 0.21 0.00 0.00 66.02 63.97 2dmc s SER 2 CO 0.00 -0.03 0.80 -0.94 0.41 0.00 0.00 173.24 173.48 2dmc s SER 3 N 0.12 6.41 0.29 2.44 1.04 -1.26 -4.97 113.70 117.77 2dmc s SER 3 Ca 0.40 -3.23 0.00 0.00 0.48 0.00 0.00 55.95 53.60 2dmc s SER 3 Cb -0.21 -2.06 0.00 0.00 0.10 0.00 0.00 66.02 63.85 2dmc s SER 3 CO 0.24 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.71 2dmc n GLY 4 N 3.12 -3.47 0.29 7.32 0.00 -1.26 -4.98 105.19 106.21 2dmc n GLY 4 Ca 0.17 -1.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.01 2dmc n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dmc n SER 5 N -1.97 1.71 -3.71 1.61 7.64 -1.26 -5.12 113.62 112.53 2dmc n SER 5 Ca 0.00 0.29 -0.02 0.00 1.01 0.00 0.00 58.87 60.15 2dmc n SER 5 Cb 0.22 -0.66 -0.01 0.00 -1.01 0.00 0.00 64.21 62.75 2dmc n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dmc s SER 6 N -6.25 -0.14 0.00 6.43 0.01 -1.26 -5.19 113.70 107.30 2dmc s SER 6 Ca -0.26 -0.31 0.00 0.00 1.31 0.00 0.00 55.95 56.69 2dmc s SER 6 Cb 0.06 0.38 0.00 0.00 0.21 0.00 0.00 66.02 66.66 2dmc s SER 6 CO 0.36 -0.70 0.00 0.61 0.41 0.00 0.00 173.24 173.92 2dmc n GLY 7 N -0.48 -1.52 3.74 3.44 0.00 -1.26 -5.02 105.19 104.09 2dmc n GLY 7 Ca -0.07 -1.05 -0.38 0.00 0.00 0.00 0.00 46.02 44.53 2dmc n GLY 7 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2dmc s ILE 8 N -2.63 2.06 -0.40 -0.61 -4.36 -1.26 -4.89 121.20 109.11 2dmc s ILE 8 Ca 0.00 0.04 0.25 0.00 -0.26 0.00 0.00 60.65 60.68 2dmc s ILE 8 Cb 0.00 -3.02 0.27 0.00 1.25 0.00 0.00 42.46 40.96 2dmc s ILE 8 CO 0.00 -0.00 1.75 1.55 0.24 0.00 0.00 174.94 178.47 2dmc h PRO 9 N 1.14 0.00 0.00 0.37 0.13 -2.03 -3.34 132.00 128.26 2dmc h PRO 9 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2dmc h PRO 9 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2dmc h PRO 9 CO 0.56 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.74 2dmc n GLY 10 N -0.04 -2.17 3.11 1.56 0.00 -1.26 -4.88 105.19 101.51 2dmc n GLY 10 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 2dmc n GLY 10 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmc s SER 11 N -1.99 0.11 0.82 1.61 0.01 -1.25 -5.16 113.70 107.84 2dmc s SER 11 Ca 0.00 0.76 0.00 0.00 1.31 0.00 0.00 55.95 58.02 2dmc s SER 11 Cb 0.00 0.97 0.00 0.00 0.21 0.00 0.00 66.02 67.20 2dmc s SER 11 CO 0.00 -0.24 0.00 -0.81 0.41 0.00 0.00 173.24 172.60 2dmc n PRO 12 N 5.37 -0.66 -1.21 12.44 -0.04 -1.26 -4.82 135.00 144.82 2dmc n PRO 12 Ca -0.07 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.98 2dmc n PRO 12 Cb 0.50 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.94 2dmc n PRO 12 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2dmc n PHE 13 N -2.16 -0.84 -0.00 0.54 7.35 -1.26 -4.88 117.46 116.20 2dmc n PHE 13 Ca 0.00 0.77 0.00 0.00 -0.76 0.00 0.00 57.45 57.46 2dmc n PHE 13 Cb 0.00 -1.69 0.00 0.00 0.35 0.00 0.00 39.48 38.14 2dmc n PHE 13 CO 0.00 0.00 0.00 -2.37 -0.76 0.00 0.00 176.76 173.63 2dmc n THR 14 N -0.26 0.39 0.77 -2.13 5.66 -1.26 -4.57 114.28 112.88 2dmc n THR 14 Ca 0.14 -0.69 0.09 0.00 -3.05 0.00 0.00 64.05 60.53 2dmc n THR 14 Cb 0.26 0.81 0.00 0.00 -1.55 0.00 0.00 70.33 69.85 2dmc n THR 14 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2dmc n ALA 15 N -0.19 3.21 -0.31 1.79 0.00 -1.26 -4.54 120.51 119.20 2dmc n ALA 15 Ca 0.00 -0.56 0.30 0.00 0.00 0.00 0.00 53.44 53.17 2dmc n ALA 15 Cb 0.10 -0.61 0.53 0.00 0.00 0.00 0.00 19.45 19.47 2dmc n ALA 15 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2dmc n LYS 16 N -0.05 -0.05 -0.02 0.00 5.02 -1.26 0.18 118.16 121.98 2dmc n LYS 16 Ca 0.07 1.17 0.06 0.00 -2.02 0.00 0.00 58.31 57.59 2dmc n LYS 16 Cb 0.37 -2.16 -0.16 0.00 -0.02 0.00 0.00 35.03 33.07 2dmc n LYS 16 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 2dmc n ILE 17 N -4.83 0.39 -2.55 -0.18 -5.35 -1.26 -4.90 119.36 100.68 2dmc n ILE 17 Ca 0.34 -0.59 -0.43 0.00 -0.27 0.00 0.00 62.75 61.80 2dmc n ILE 17 Cb 1.19 -0.15 -0.02 0.00 -1.74 0.00 0.00 39.64 38.92 2dmc n ILE 17 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 2dmc s THR 18 N -3.26 4.48 -0.35 7.28 2.01 0.48 -5.00 115.64 121.27 2dmc s THR 18 Ca -0.08 1.77 -0.24 0.00 0.31 0.00 0.00 61.69 63.45 2dmc s THR 18 Cb 0.12 -4.19 0.01 0.00 0.01 0.00 0.00 72.50 68.45 2dmc s THR 18 CO 0.88 -0.21 0.82 -1.81 -0.69 0.00 0.00 174.62 173.61 2dmc s ASP 19 N 1.65 6.61 -0.78 3.53 1.01 -1.26 -4.83 116.67 122.59 2dmc s ASP 19 Ca 0.49 0.47 -0.17 0.00 0.71 0.00 0.00 52.55 54.05 2dmc s ASP 19 Cb -0.17 -2.41 -0.21 0.00 1.01 0.00 0.00 42.92 41.13 2dmc s ASP 19 CO 0.11 -0.74 1.92 0.47 0.21 0.00 0.00 175.17 177.15 2dmc n ASP 20 N 6.45 -0.36 0.23 0.27 8.00 -1.26 -4.65 116.55 125.23 2dmc n ASP 20 Ca 0.04 -0.10 0.17 0.00 0.71 0.00 0.00 54.79 55.61 2dmc n ASP 20 Cb 0.48 -0.59 0.78 0.00 -0.02 0.00 0.00 41.12 41.78 2dmc n ASP 20 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2dmc h SER 21 N 9.02 0.00 -2.80 -2.24 0.02 -2.01 -3.42 113.55 112.12 2dmc h SER 21 Ca -0.01 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.60 2dmc h SER 21 Cb 0.96 0.00 0.20 0.00 0.14 0.00 0.00 62.40 63.70 2dmc h SER 21 CO 1.16 0.00 -0.14 -2.11 -1.14 0.00 0.00 176.83 174.60 2dmc n ARG 22 N -3.26 -4.57 -1.85 3.45 0.00 -1.26 -4.96 116.66 104.21 2dmc n ARG 22 Ca 0.02 -1.36 -0.25 0.00 -0.00 0.00 0.00 57.85 56.26 2dmc n ARG 22 Cb 0.48 -1.73 0.04 0.00 -0.00 0.00 0.00 32.46 31.25 2dmc n ARG 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2dmc n ARG 23 N -5.46 3.38 -3.86 2.89 5.12 -1.26 -4.92 116.66 112.55 2dmc n ARG 23 Ca 0.13 -3.98 -0.33 0.00 -1.93 0.00 0.00 57.85 51.74 2dmc n ARG 23 Cb 0.55 -2.26 -0.12 0.00 -1.16 0.00 0.00 32.46 29.47 2dmc n ARG 23 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2dmc s SER 25 N 0.18 6.40 -0.15 0.00 0.15 -1.25 -5.01 113.70 114.02 2dmc s SER 25 Ca 0.17 0.45 -0.04 0.00 0.70 0.00 0.00 55.95 57.22 2dmc s SER 25 Cb -0.23 -2.03 -0.03 0.00 -1.71 0.00 0.00 66.02 62.01 2dmc s SER 25 CO -0.02 -0.04 0.00 -1.58 1.20 0.00 0.00 173.24 172.81 2dmc s GLN 26 N -3.24 3.61 0.05 5.44 -0.44 -1.26 -4.15 119.66 119.67 2dmc s GLN 26 Ca 0.39 -0.44 0.00 0.00 -2.50 0.00 0.00 55.36 52.82 2dmc s GLN 26 Cb -0.11 -2.98 -0.03 0.00 -1.64 0.00 0.00 33.01 28.25 2dmc s GLN 26 CO 0.28 0.36 -0.04 0.08 0.50 0.00 0.00 175.29 176.47 2dmc s VAL 27 N 0.07 0.34 -0.25 1.34 1.01 -1.26 -5.00 120.40 116.65 2dmc s VAL 27 Ca 0.02 -1.52 -0.19 0.00 0.00 0.00 0.00 61.98 60.30 2dmc s VAL 27 Cb -0.13 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 2dmc s VAL 27 CO 0.02 -0.77 0.55 -0.54 0.00 0.00 0.00 175.10 174.36 2dmc s LYS 28 N -2.98 4.10 0.53 2.72 -0.14 -1.26 -4.25 119.74 118.45 2dmc s LYS 28 Ca 0.00 0.40 -0.22 0.00 -1.36 0.00 0.00 55.97 54.79 2dmc s LYS 28 Cb 0.01 -3.64 -0.05 0.00 -1.68 0.00 0.00 37.83 32.46 2dmc s LYS 28 CO -0.05 -0.34 1.28 -1.17 -0.76 0.00 0.00 175.35 174.31 2dmc s LEU 29 N 2.27 3.88 -2.08 3.17 2.96 -1.26 -2.47 118.68 125.15 2dmc s LEU 29 Ca 0.23 2.58 0.00 0.00 -0.22 0.00 0.00 54.13 56.72 2dmc s LEU 29 Cb -0.16 -4.30 0.00 0.00 0.50 0.00 0.00 46.19 42.23 2dmc s LEU 29 CO 0.09 -1.38 0.00 0.61 -1.32 0.00 0.00 176.35 174.35 2dmc n GLY 30 N 0.62 1.30 2.87 7.98 0.00 -0.58 -4.96 105.19 112.42 2dmc n GLY 30 Ca 0.10 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.95 2dmc n GLY 30 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmc s SER 31 N -2.59 0.40 -0.31 1.61 0.01 -1.03 -4.99 113.70 106.81 2dmc s SER 31 Ca 0.00 -0.04 -0.29 0.00 1.31 0.00 0.00 55.95 56.93 2dmc s SER 31 Cb 0.00 -0.15 -0.01 0.00 0.21 0.00 0.00 66.02 66.07 2dmc s SER 31 CO 0.00 -0.04 1.59 0.00 0.41 0.00 0.00 173.24 175.20 2dmc s ALA 32 N 0.52 3.10 0.32 1.44 0.00 -1.26 -4.19 121.76 121.68 2dmc s ALA 32 Ca -0.05 0.20 0.10 0.00 0.00 0.00 0.00 51.96 52.21 2dmc s ALA 32 Cb -0.08 -3.92 -0.06 0.00 0.00 0.00 0.00 23.12 19.07 2dmc s ALA 32 CO -0.01 -2.25 -0.09 0.00 0.00 0.00 0.00 175.76 173.41 2dmc s ALA 33 N 5.69 2.98 0.24 0.00 0.00 -1.21 -4.97 121.76 124.49 2dmc s ALA 33 Ca 0.70 -1.95 0.02 0.00 0.00 0.00 0.00 51.96 50.73 2dmc s ALA 33 Cb -0.20 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.60 2dmc s ALA 33 CO 0.31 0.16 0.40 0.34 0.00 0.00 0.00 175.76 176.96 2dmc s ASP 34 N -3.62 6.33 -0.03 0.00 -1.08 -1.26 -3.54 116.67 113.48 2dmc s ASP 34 Ca 0.32 0.25 -0.01 0.00 -0.52 0.00 0.00 52.55 52.59 2dmc s ASP 34 Cb -0.01 -1.94 0.03 0.00 -1.46 0.00 0.00 42.92 39.53 2dmc s ASP 34 CO 0.17 -0.09 0.04 -0.36 0.52 0.00 0.00 175.17 175.45 2dmc s PHE 35 N -1.99 0.10 -0.39 -5.34 0.40 -0.81 -4.97 117.98 104.98 2dmc s PHE 35 Ca 0.36 0.18 -0.16 0.00 -0.60 0.00 0.00 56.93 56.71 2dmc s PHE 35 Cb -0.10 -0.41 0.01 0.00 0.51 0.00 0.00 43.02 43.03 2dmc s PHE 35 CO 0.30 -0.16 0.40 -1.17 0.70 0.00 0.00 175.22 175.29 2dmc s LEU 36 N 1.71 4.73 -0.11 -0.37 2.96 -1.26 -2.13 118.68 124.22 2dmc s LEU 36 Ca -0.01 -0.53 0.03 0.00 -0.22 0.00 0.00 54.13 53.40 2dmc s LEU 36 Cb -0.12 -2.35 0.01 0.00 0.50 0.00 0.00 46.19 44.22 2dmc s LEU 36 CO -0.03 -0.48 -0.21 -1.48 -1.32 0.00 0.00 176.35 172.83 2dmc s LEU 37 N 2.05 2.00 -0.72 -0.68 2.34 -1.25 -5.07 118.68 117.37 2dmc s LEU 37 Ca 0.11 -0.53 -0.26 0.00 0.06 0.00 0.00 54.13 53.52 2dmc s LEU 37 Cb -0.17 -1.32 -0.02 0.00 -0.56 0.00 0.00 46.19 44.12 2dmc s LEU 37 CO 0.13 0.11 1.78 -0.62 -1.06 0.00 0.00 176.35 176.69 2dmc s ASP 38 N 0.57 5.42 -0.06 1.48 2.15 -1.26 -4.78 116.67 120.20 2dmc s ASP 38 Ca -0.14 -0.09 0.03 0.00 0.43 0.00 0.00 52.55 52.78 2dmc s ASP 38 Cb -0.17 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.91 2dmc s ASP 38 CO 0.04 -2.35 -0.15 0.27 -0.17 0.00 0.00 175.17 172.82 2dmc s ILE 39 N 8.66 1.32 -0.16 4.11 -4.36 -1.26 -4.93 121.20 124.58 2dmc s ILE 39 Ca 0.62 -0.62 -0.02 0.00 -0.26 0.00 0.00 60.65 60.37 2dmc s ILE 39 Cb -0.10 -1.17 0.01 0.00 1.25 0.00 0.00 42.46 42.45 2dmc s ILE 39 CO 0.13 0.39 2.52 -1.20 0.24 0.00 0.00 174.94 177.02 2dmc n SER 40 N 3.48 5.82 -3.79 4.36 7.64 -1.26 -4.79 113.62 125.08 2dmc n SER 40 Ca -0.20 -2.74 -0.19 0.00 1.01 0.00 0.00 58.87 56.75 2dmc n SER 40 Cb 0.53 -1.20 -0.17 0.00 -1.01 0.00 0.00 64.21 62.36 2dmc n SER 40 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2dmc s GLU 41 N -0.56 0.34 -0.08 1.43 0.41 -1.26 -5.06 118.70 113.92 2dmc s GLU 41 Ca 0.34 0.11 -0.08 0.00 -0.41 0.00 0.00 54.97 54.94 2dmc s GLU 41 Cb 0.21 -0.60 -0.03 0.00 -1.78 0.00 0.00 34.13 31.93 2dmc s GLU 41 CO -0.04 -0.19 -0.15 0.25 -0.49 0.00 0.00 175.26 174.64 2dmc n THR 42 N 4.50 0.71 -1.07 3.63 -2.24 -1.26 -4.94 114.28 113.61 2dmc n THR 42 Ca -0.19 0.34 -0.46 0.00 -2.27 0.00 0.00 64.05 61.46 2dmc n THR 42 Cb 0.50 -1.91 -0.08 0.00 -2.10 0.00 0.00 70.33 66.74 2dmc n THR 42 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2dmc n ASP 43 N -3.43 0.69 0.03 3.42 5.68 -1.26 -4.84 116.55 116.84 2dmc n ASP 43 Ca -0.06 0.66 -0.04 0.00 -0.50 0.00 0.00 54.79 54.84 2dmc n ASP 43 Cb 0.22 -0.65 -0.03 0.00 -1.14 0.00 0.00 41.12 39.52 2dmc n ASP 43 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 2dmc h LEU 44 N 5.30 -0.15 -0.48 -2.12 4.07 -1.92 -3.24 115.31 116.76 2dmc h LEU 44 Ca -0.18 -0.09 0.09 0.00 0.08 0.00 0.00 57.88 57.78 2dmc h LEU 44 Cb 1.02 0.04 -0.10 0.00 1.08 0.00 0.00 40.66 42.70 2dmc h LEU 44 CO 0.76 0.36 -0.32 0.77 -1.08 0.00 0.00 178.44 178.94 2dmc h SER 45 N -1.03 -1.08 -1.09 -0.43 4.64 -1.98 0.30 113.55 112.88 2dmc h SER 45 Ca -0.02 0.20 0.30 0.00 -0.47 0.00 0.00 61.79 61.80 2dmc h SER 45 Cb 0.24 0.52 -0.08 0.00 -0.31 0.00 0.00 62.40 62.77 2dmc h SER 45 CO 0.03 -0.31 0.73 0.28 -0.87 0.00 0.00 176.83 176.69 2dmc h SER 46 N -0.20 0.30 -2.98 4.97 0.02 -1.96 -3.41 113.55 110.30 2dmc h SER 46 Ca 0.20 0.06 -0.45 0.00 -0.84 0.00 0.00 61.79 60.77 2dmc h SER 46 Cb 0.54 0.02 0.05 0.00 0.14 0.00 0.00 62.40 63.15 2dmc h SER 46 CO -0.60 0.04 0.04 -0.76 -1.14 0.00 0.00 176.83 174.42 2dmc s LEU 47 N -9.27 3.22 0.11 5.07 1.43 0.10 -2.22 118.68 117.12 2dmc s LEU 47 Ca -0.08 0.23 0.06 0.00 -1.03 0.00 0.00 54.13 53.31 2dmc s LEU 47 Cb 0.25 -3.05 -0.04 0.00 0.03 0.00 0.00 46.19 43.39 2dmc s LEU 47 CO 0.80 -1.18 -0.14 -0.89 0.23 0.00 0.00 176.35 175.17 2dmc s THR 48 N -2.87 1.27 -0.12 5.49 2.01 0.64 -4.88 115.64 117.18 2dmc s THR 48 Ca 0.56 -1.63 0.01 0.00 0.31 0.00 0.00 61.69 60.94 2dmc s THR 48 Cb -0.10 -1.44 0.02 0.00 0.01 0.00 0.00 72.50 70.99 2dmc s THR 48 CO 0.41 -0.38 -0.15 0.00 -0.69 0.00 0.00 174.62 173.81 2dmc s ALA 49 N -1.97 1.72 -0.12 7.40 0.00 -1.26 -3.81 121.76 123.72 2dmc s ALA 49 Ca 0.07 -0.77 -0.10 0.00 0.00 0.00 0.00 51.96 51.15 2dmc s ALA 49 Cb -0.06 -0.90 0.03 0.00 0.00 0.00 0.00 23.12 22.20 2dmc s ALA 49 CO 0.03 -0.18 0.31 -1.12 0.00 0.00 0.00 175.76 174.80 2dmc s SER 50 N 1.16 -0.33 -0.01 0.00 0.01 -1.06 -4.87 113.70 108.60 2dmc s SER 50 Ca -0.03 0.63 0.00 0.00 1.31 0.00 0.00 55.95 57.87 2dmc s SER 50 Cb -0.14 0.62 0.01 0.00 0.21 0.00 0.00 66.02 66.72 2dmc s SER 50 CO -0.04 -0.12 -0.01 -0.63 0.41 0.00 0.00 173.24 172.85 2dmc s ILE 51 N 0.32 0.11 -0.29 1.44 1.01 -1.26 0.35 121.20 122.89 2dmc s ILE 51 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 60.65 60.64 2dmc s ILE 51 Cb -0.03 -0.15 0.09 0.00 0.01 0.00 0.00 42.46 42.38 2dmc s ILE 51 CO -0.01 0.07 0.06 -0.75 0.00 0.00 0.00 174.94 174.31 2dmc s LYS 52 N 0.36 0.90 1.04 2.79 2.47 -1.20 -2.50 119.74 123.60 2dmc s LYS 52 Ca -0.03 -1.04 -0.24 0.00 -1.56 0.00 0.00 55.97 53.09 2dmc s LYS 52 Cb -0.05 -2.21 -0.10 0.00 -1.46 0.00 0.00 37.83 34.00 2dmc s LYS 52 CO -0.01 -0.88 -1.03 0.00 0.16 0.00 0.00 175.35 173.59 2dmc n ALA 53 N 4.79 -5.28 0.34 3.13 0.00 -0.69 -4.08 120.51 118.74 2dmc n ALA 53 Ca -0.04 -1.32 0.14 0.00 0.00 0.00 0.00 53.44 52.22 2dmc n ALA 53 Cb 0.43 -1.04 0.59 0.00 0.00 0.00 0.00 19.45 19.43 2dmc n ALA 53 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2dmc h PRO 54 N -1.33 0.00 -0.46 0.00 0.13 -1.88 -2.31 132.00 126.15 2dmc h PRO 54 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2dmc h PRO 54 Cb 1.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.51 2dmc h PRO 54 CO 0.27 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 176.91 2dmc n SER 55 N -2.62 3.15 -0.10 1.44 3.41 -1.26 -4.92 113.62 112.72 2dmc n SER 55 Ca 0.01 -1.96 -0.01 0.00 -0.26 0.00 0.00 58.87 56.66 2dmc n SER 55 Cb 0.26 -0.30 -0.00 0.00 -0.26 0.00 0.00 64.21 63.90 2dmc n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dmc n GLY 56 N 1.45 0.42 3.46 5.00 0.00 -0.87 -5.02 105.19 109.63 2dmc n GLY 56 Ca 0.20 -0.98 -0.40 0.00 0.00 0.00 0.00 46.02 44.84 2dmc n GLY 56 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dmc s ARG 57 N -2.69 3.31 0.62 1.61 0.52 -1.26 -4.87 118.95 116.18 2dmc s ARG 57 Ca 0.00 -0.75 -0.19 0.00 -0.52 0.00 0.00 55.73 54.27 2dmc s ARG 57 Cb 0.00 -3.68 -0.02 0.00 0.52 0.00 0.00 34.95 31.77 2dmc s ARG 57 CO 0.00 -0.47 1.31 -3.47 0.02 0.00 0.00 175.30 172.69 2dmc n ASP 58 N 5.03 2.24 -4.19 0.23 2.03 -1.26 -1.70 116.55 118.94 2dmc n ASP 58 Ca -0.13 0.88 -0.23 0.00 0.52 0.00 0.00 54.79 55.82 2dmc n ASP 58 Cb 0.49 -1.56 -0.14 0.00 -0.72 0.00 0.00 41.12 39.19 2dmc n ASP 58 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2dmc s GLU 59 N -3.21 1.23 -0.94 -0.67 0.41 -1.04 -4.87 118.70 109.61 2dmc s GLU 59 Ca 0.79 -0.77 -0.24 0.00 -0.41 0.00 0.00 54.97 54.34 2dmc s GLU 59 Cb -0.39 -1.27 -0.05 0.00 -1.78 0.00 0.00 34.13 30.64 2dmc s GLU 59 CO 0.43 0.33 1.94 -1.25 -0.49 0.00 0.00 175.26 176.22 2dmc s PRO 60 N -0.91 2.55 -0.04 0.39 0.04 -1.26 -4.48 135.00 131.29 2dmc s PRO 60 Ca 0.05 -0.41 -0.03 0.00 0.04 0.00 0.00 61.00 60.65 2dmc s PRO 60 Cb -0.08 -5.09 -0.04 0.00 0.04 0.00 0.00 34.50 29.34 2dmc s PRO 60 CO 0.01 -3.45 0.13 0.00 0.04 0.00 0.00 177.00 173.73 2dmc s LEU 62 N -1.62 0.77 0.10 0.00 1.98 0.13 -4.88 118.68 115.17 2dmc s LEU 62 Ca 0.22 0.19 -0.24 0.00 -2.89 0.00 0.00 54.13 51.42 2dmc s LEU 62 Cb -0.12 0.17 -0.07 0.00 0.66 0.00 0.00 46.19 46.83 2dmc s LEU 62 CO 0.13 -0.15 0.74 -0.76 -1.89 0.00 0.00 176.35 174.42 2dmc s LEU 63 N 1.26 4.53 0.15 -0.68 1.43 -1.26 -1.31 118.68 122.79 2dmc s LEU 63 Ca -0.08 1.51 -0.08 0.00 -1.03 0.00 0.00 54.13 54.46 2dmc s LEU 63 Cb -0.12 -3.22 -0.01 0.00 0.03 0.00 0.00 46.19 42.87 2dmc s LEU 63 CO -0.05 0.14 0.24 -1.59 0.23 0.00 0.00 176.35 175.32 2dmc s LYS 64 N -0.69 1.08 -0.14 1.70 -2.85 -1.16 -4.99 119.74 112.68 2dmc s LYS 64 Ca 0.36 -1.18 -0.20 0.00 -1.00 0.00 0.00 55.97 53.94 2dmc s LYS 64 Cb -0.22 0.35 -0.03 0.00 -2.06 0.00 0.00 37.83 35.87 2dmc s LYS 64 CO 0.24 -0.38 0.59 0.50 0.10 0.00 0.00 175.35 176.40 2dmc s ARG 65 N -3.96 4.30 0.21 1.78 6.06 -1.26 -3.29 118.95 122.78 2dmc s ARG 65 Ca 0.16 0.60 -0.00 0.00 -2.50 0.00 0.00 55.73 54.00 2dmc s ARG 65 Cb 0.04 -3.50 -0.04 0.00 0.06 0.00 0.00 34.95 31.51 2dmc s ARG 65 CO -0.01 -0.04 0.39 -0.51 -2.50 0.00 0.00 175.30 172.63 2dmc s LEU 66 N 1.23 4.23 0.87 -0.88 1.43 0.12 -4.93 118.68 120.74 2dmc s LEU 66 Ca 0.29 0.38 -0.11 0.00 -1.03 0.00 0.00 54.13 53.66 2dmc s LEU 66 Cb -0.16 -3.15 0.11 0.00 0.03 0.00 0.00 46.19 43.02 2dmc s LEU 66 CO 0.12 -0.05 1.09 -2.16 0.23 0.00 0.00 176.35 175.58 2dmc s PRO 67 N -3.39 1.47 -0.59 1.29 0.04 -1.26 -2.59 135.00 129.97 2dmc s PRO 67 Ca 0.38 0.88 0.00 0.00 0.04 0.00 0.00 61.00 62.31 2dmc s PRO 67 Cb -0.11 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.60 2dmc s PRO 67 CO 0.29 -2.11 0.00 -1.71 0.04 0.00 0.00 177.00 173.51 2dmc n ASN 68 N -3.80 -2.80 -3.38 6.66 5.15 -1.26 -3.22 115.26 112.61 2dmc n ASN 68 Ca 0.07 0.03 -0.21 0.00 -0.60 0.00 0.00 54.58 53.87 2dmc n ASN 68 Cb 0.55 -1.90 0.08 0.00 -0.53 0.00 0.00 39.78 37.97 2dmc n ASN 68 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2dmc n ASN 69 N 0.77 -5.50 -4.40 1.20 4.13 -1.26 -5.01 115.26 105.19 2dmc n ASN 69 Ca -0.08 -0.52 -0.20 0.00 1.68 0.00 0.00 54.58 55.47 2dmc n ASN 69 Cb 0.50 -4.75 -0.10 0.00 -1.54 0.00 0.00 39.78 33.88 2dmc n ASN 69 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 2dmc s HIS 70 N -3.30 1.82 -0.01 3.10 3.76 -1.07 -5.05 115.29 114.53 2dmc s HIS 70 Ca 0.47 -0.80 -0.02 0.00 -0.15 0.00 0.00 55.06 54.56 2dmc s HIS 70 Cb -0.21 -1.06 0.00 0.00 1.11 0.00 0.00 32.58 32.42 2dmc s HIS 70 CO 0.68 0.15 0.04 0.42 -0.85 0.00 0.00 174.74 175.18 2dmc s ILE 71 N -3.18 0.01 0.29 0.60 1.01 -1.26 0.11 121.20 118.78 2dmc s ILE 71 Ca 0.30 -0.11 -0.04 0.00 0.00 0.00 0.00 60.65 60.80 2dmc s ILE 71 Cb 0.05 -0.11 -0.01 0.00 0.01 0.00 0.00 42.46 42.40 2dmc s ILE 71 CO 0.11 -0.06 0.39 -0.83 0.00 0.00 0.00 174.94 174.55 2dmc s GLY 72 N -0.16 1.30 0.18 6.18 0.00 -1.21 -3.79 107.32 109.82 2dmc s GLY 72 Ca -0.02 -1.43 0.06 0.00 0.00 0.00 0.00 44.72 43.33 2dmc s GLY 72 CO 0.00 -1.02 0.11 -1.50 0.00 0.00 0.00 173.10 170.68 2dmc s ILE 73 N -3.57 4.27 -0.10 0.90 2.07 -0.90 -3.01 121.20 120.86 2dmc s ILE 73 Ca 0.31 -1.23 -0.01 0.00 -1.41 0.00 0.00 60.65 58.31 2dmc s ILE 73 Cb 0.01 -3.19 0.03 0.00 0.13 0.00 0.00 42.46 39.44 2dmc s ILE 73 CO 0.16 -0.15 -0.03 -0.44 -1.91 0.00 0.00 174.94 172.57 2dmc s SER 74 N -3.18 1.96 0.04 4.50 0.01 -0.43 -1.92 113.70 114.67 2dmc s SER 74 Ca 0.30 -0.24 -0.21 0.00 1.31 0.00 0.00 55.95 57.11 2dmc s SER 74 Cb -0.09 -0.63 0.05 0.00 0.21 0.00 0.00 66.02 65.56 2dmc s SER 74 CO 0.22 -0.17 0.49 0.72 0.41 0.00 0.00 173.24 174.91 2dmc s PHE 75 N 1.85 -0.39 -0.52 2.43 -0.71 -1.23 0.19 117.98 119.59 2dmc s PHE 75 Ca 0.04 0.43 -0.17 0.00 -1.04 0.00 0.00 56.93 56.20 2dmc s PHE 75 Cb -0.13 0.31 0.09 0.00 -1.21 0.00 0.00 43.02 42.08 2dmc s PHE 75 CO -0.07 -0.62 0.54 0.42 -1.34 0.00 0.00 175.22 174.16 2dmc s ILE 76 N -2.36 5.06 -0.71 -4.49 1.01 -1.25 -3.33 121.20 115.13 2dmc s ILE 76 Ca -0.06 -1.04 -0.26 0.00 0.00 0.00 0.00 60.65 59.30 2dmc s ILE 76 Cb -0.01 -4.30 -0.03 0.00 0.01 0.00 0.00 42.46 38.13 2dmc s ILE 76 CO -0.01 -0.82 1.89 -2.16 0.00 0.00 0.00 174.94 173.84 2dmc s PRO 77 N 2.07 2.60 0.36 2.79 0.04 -1.26 -4.68 135.00 136.92 2dmc s PRO 77 Ca 0.08 0.29 0.06 0.00 0.04 0.00 0.00 61.00 61.47 2dmc s PRO 77 Cb -0.25 -4.63 0.69 0.00 0.04 0.00 0.00 34.50 30.35 2dmc s PRO 77 CO 0.07 -2.97 1.92 0.00 0.04 0.00 0.00 177.00 176.06 2dmc h ARG 78 N 13.68 0.47 -5.36 4.56 -0.00 -1.94 -1.54 114.38 124.25 2dmc h ARG 78 Ca -0.13 -0.09 -0.62 0.00 -0.50 0.00 0.00 59.98 58.64 2dmc h ARG 78 Cb 1.11 -0.08 -0.13 0.00 0.00 0.00 0.00 29.97 30.87 2dmc h ARG 78 CO 1.22 0.48 -0.56 -2.00 0.00 0.00 0.00 179.97 179.11 2dmc s GLU 79 N -5.02 2.01 0.30 0.04 2.12 -1.26 -4.51 118.70 112.39 2dmc s GLU 79 Ca -0.07 -2.21 0.10 0.00 0.36 0.00 0.00 54.97 53.15 2dmc s GLU 79 Cb 0.16 -1.39 -0.05 0.00 0.26 0.00 0.00 34.13 33.11 2dmc s GLU 79 CO 0.75 -0.24 -0.08 0.14 -0.54 0.00 0.00 175.26 175.30 2dmc s VAL 80 N -2.90 2.73 0.00 3.70 -7.23 -1.26 -4.92 120.40 110.51 2dmc s VAL 80 Ca 0.22 -2.13 0.00 0.00 -1.81 0.00 0.00 61.98 58.26 2dmc s VAL 80 Cb 0.06 -2.62 0.00 0.00 0.56 0.00 0.00 36.38 34.37 2dmc s VAL 80 CO 0.11 -0.31 0.00 0.61 -0.31 0.00 0.00 175.10 175.20 2dmc n GLY 81 N -0.81 0.35 3.18 2.32 0.00 -0.09 -4.82 105.19 105.33 2dmc n GLY 81 Ca -0.05 -1.31 -0.39 0.00 0.00 0.00 0.00 46.02 44.27 2dmc n GLY 81 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2dmc s GLU 82 N -0.40 2.31 -0.19 1.61 2.12 -1.26 -0.88 118.70 122.02 2dmc s GLU 82 Ca 0.00 -1.70 -0.17 0.00 0.36 0.00 0.00 54.97 53.46 2dmc s GLU 82 Cb 0.00 -3.73 -0.04 0.00 0.26 0.00 0.00 34.13 30.62 2dmc s GLU 82 CO 0.00 -1.07 0.43 -1.01 -0.54 0.00 0.00 175.26 173.06 2dmc s HIS 83 N 1.28 3.39 -0.34 5.30 3.76 -0.06 -4.23 115.29 124.39 2dmc s HIS 83 Ca 0.06 0.68 -0.12 0.00 -0.15 0.00 0.00 55.06 55.52 2dmc s HIS 83 Cb -0.24 -2.55 -0.01 0.00 1.11 0.00 0.00 32.58 30.89 2dmc s HIS 83 CO -0.02 0.00 0.23 -0.51 -0.85 0.00 0.00 174.74 173.60 2dmc s LEU 84 N 1.26 4.52 -0.34 0.89 1.43 -1.26 -1.00 118.68 124.18 2dmc s LEU 84 Ca 0.21 -0.51 -0.18 0.00 -1.03 0.00 0.00 54.13 52.62 2dmc s LEU 84 Cb -0.15 -2.11 -0.01 0.00 0.03 0.00 0.00 46.19 43.95 2dmc s LEU 84 CO 0.08 -0.26 0.53 -0.69 0.23 0.00 0.00 176.35 176.25 2dmc s VAL 85 N 1.69 5.00 -0.52 -1.59 1.01 0.55 -3.22 120.40 123.33 2dmc s VAL 85 Ca 0.06 0.44 -0.24 0.00 0.00 0.00 0.00 61.98 62.24 2dmc s VAL 85 Cb -0.18 -3.97 0.04 0.00 0.00 0.00 0.00 36.38 32.28 2dmc s VAL 85 CO 0.10 -0.20 0.89 -0.44 0.00 0.00 0.00 175.10 175.45 2dmc s SER 86 N 1.74 6.37 -0.25 3.32 0.01 0.15 0.57 113.70 125.61 2dmc s SER 86 Ca 0.20 -0.28 -0.02 0.00 1.31 0.00 0.00 55.95 57.16 2dmc s SER 86 Cb -0.15 -2.42 0.03 0.00 0.21 0.00 0.00 66.02 63.69 2dmc s SER 86 CO 0.13 -1.12 -0.06 -0.63 0.41 0.00 0.00 173.24 171.97 2dmc s ILE 87 N 3.70 2.88 0.31 1.44 -1.09 -1.26 -2.56 121.20 124.62 2dmc s ILE 87 Ca 0.30 -1.06 0.03 0.00 -2.23 0.00 0.00 60.65 57.69 2dmc s ILE 87 Cb -0.13 -2.48 -0.05 0.00 -1.58 0.00 0.00 42.46 38.23 2dmc s ILE 87 CO 0.20 0.17 0.10 -0.54 -1.23 0.00 0.00 174.94 173.65 2dmc s LYS 88 N 1.32 1.60 -0.27 2.79 1.02 -1.25 -1.44 119.74 123.51 2dmc s LYS 88 Ca -0.00 -1.90 0.01 0.00 0.02 0.00 0.00 55.97 54.10 2dmc s LYS 88 Cb -0.17 -0.49 0.07 0.00 -0.52 0.00 0.00 37.83 36.72 2dmc s LYS 88 CO -0.04 -0.31 -0.01 0.21 -0.92 0.00 0.00 175.35 174.27 2dmc s LYS 89 N -3.91 1.49 -1.85 1.68 2.20 0.88 -0.26 119.74 119.97 2dmc s LYS 89 Ca 0.35 -1.20 0.00 0.00 -0.36 0.00 0.00 55.97 54.76 2dmc s LYS 89 Cb 0.07 -2.64 0.00 0.00 -1.51 0.00 0.00 37.83 33.75 2dmc s LYS 89 CO 0.15 -0.72 0.00 0.09 -0.36 0.00 0.00 175.35 174.51 2dmc n ASN 90 N 4.60 -5.68 0.00 1.43 3.02 -0.94 -1.67 115.26 116.02 2dmc n ASN 90 Ca -0.07 0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 2dmc n ASN 90 Cb 0.43 -4.77 0.00 0.00 -0.61 0.00 0.00 39.78 34.83 2dmc n ASN 90 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dmc n GLY 91 N -0.86 0.90 2.77 7.41 0.00 -1.26 -5.06 105.19 109.08 2dmc n GLY 91 Ca -0.23 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.36 2dmc n GLY 91 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dmc s ASN 92 N -2.12 3.95 0.35 1.61 0.01 -0.67 -5.09 114.94 112.98 2dmc s ASN 92 Ca 0.00 -1.55 -0.19 0.00 -0.71 0.00 0.00 52.86 50.41 2dmc s ASN 92 Cb 0.00 -0.92 -0.14 0.00 0.41 0.00 0.00 41.25 40.60 2dmc s ASN 92 CO 0.00 -0.39 0.08 1.41 -1.51 0.00 0.00 177.10 176.70 2dmc n HIS 93 N 4.81 -1.82 -3.69 2.20 8.25 -1.26 -0.09 115.22 123.63 2dmc n HIS 93 Ca -0.03 0.55 -0.19 0.00 -0.26 0.00 0.00 57.72 57.79 2dmc n HIS 93 Cb 0.43 -1.55 0.01 0.00 1.12 0.00 0.00 29.99 29.99 2dmc n HIS 93 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 2dmc n VAL 94 N -0.87 0.00 -2.33 1.59 0.24 -0.52 -4.63 118.33 111.81 2dmc n VAL 94 Ca 0.10 -1.62 -0.37 0.00 -2.04 0.00 0.00 64.34 60.41 2dmc n VAL 94 Cb 0.35 -0.21 -0.02 0.00 -1.47 0.00 0.00 33.84 32.49 2dmc n VAL 94 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2dmc s ALA 95 N -2.59 3.02 -1.36 2.33 0.00 -1.26 -3.13 121.76 118.78 2dmc s ALA 95 Ca 0.27 0.88 0.00 0.00 0.00 0.00 0.00 51.96 53.11 2dmc s ALA 95 Cb -0.02 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.74 2dmc s ALA 95 CO 0.17 -0.54 0.00 0.09 0.00 0.00 0.00 175.76 175.48 2dmc n ASN 96 N -0.32 -4.68 -4.05 0.00 3.02 -1.26 -4.92 115.26 103.04 2dmc n ASN 96 Ca 0.06 0.02 -0.16 0.00 -0.03 0.00 0.00 54.58 54.47 2dmc n ASN 96 Cb 0.48 -3.79 -0.13 0.00 -0.61 0.00 0.00 39.78 35.73 2dmc n ASN 96 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2dmc s SER 97 N -2.34 1.05 0.64 6.41 0.15 -1.18 -3.56 113.70 114.86 2dmc s SER 97 Ca 0.00 -0.35 -0.16 0.00 0.70 0.00 0.00 55.95 56.14 2dmc s SER 97 Cb 0.00 -0.05 -0.01 0.00 -1.71 0.00 0.00 66.02 64.25 2dmc s SER 97 CO 0.00 -0.03 1.11 -2.16 1.20 0.00 0.00 173.24 173.37 2dmc s PRO 98 N -0.90 2.90 -0.24 5.44 0.04 -1.26 -4.81 135.00 136.18 2dmc s PRO 98 Ca -0.02 1.42 -0.21 0.00 0.04 0.00 0.00 61.00 62.23 2dmc s PRO 98 Cb -0.06 -1.96 -0.02 0.00 0.04 0.00 0.00 34.50 32.50 2dmc s PRO 98 CO 0.00 -1.18 0.68 0.08 0.04 0.00 0.00 177.00 176.63 2dmc s VAL 99 N -2.25 4.95 -0.05 -0.36 1.01 0.19 -4.77 120.40 119.12 2dmc s VAL 99 Ca 0.68 1.25 -0.23 0.00 0.00 0.00 0.00 61.98 63.67 2dmc s VAL 99 Cb -0.21 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 2dmc s VAL 99 CO 0.39 0.02 0.70 -0.55 0.00 0.00 0.00 175.10 175.66 2dmc s SER 100 N 1.39 7.01 -0.00 3.32 0.15 -1.26 -0.33 113.70 123.98 2dmc s SER 100 Ca 0.29 1.21 0.04 0.00 0.70 0.00 0.00 55.95 58.19 2dmc s SER 100 Cb -0.16 -2.41 -0.01 0.00 -1.71 0.00 0.00 66.02 61.73 2dmc s SER 100 CO 0.09 -0.09 -0.13 -0.63 1.20 0.00 0.00 173.24 173.68 2dmc s ILE 101 N 0.67 1.00 -0.21 6.45 1.01 -0.17 -4.99 121.20 124.95 2dmc s ILE 101 Ca 0.37 -0.61 -0.08 0.00 0.00 0.00 0.00 60.65 60.33 2dmc s ILE 101 Cb -0.18 -0.85 -0.04 0.00 0.01 0.00 0.00 42.46 41.40 2dmc s ILE 101 CO 0.19 0.22 0.08 -0.32 0.00 0.00 0.00 174.94 175.11 2dmc s MET 102 N -0.45 3.91 0.03 2.79 1.75 -1.26 -0.88 119.30 125.19 2dmc s MET 102 Ca 0.04 -0.37 0.09 0.00 -1.25 0.00 0.00 55.69 54.20 2dmc s MET 102 Cb -0.05 -3.31 -0.03 0.00 2.84 0.00 0.00 34.83 34.28 2dmc s MET 102 CO -0.00 0.10 -0.26 0.08 -0.65 0.00 0.00 175.02 174.29 2dmc s VAL 103 N 0.85 2.16 -0.04 10.11 1.01 -0.05 -3.87 120.40 130.56 2dmc s VAL 103 Ca 0.04 -1.31 -0.22 0.00 0.00 0.00 0.00 61.98 60.50 2dmc s VAL 103 Cb -0.13 -1.82 0.05 0.00 0.00 0.00 0.00 36.38 34.47 2dmc s VAL 103 CO 0.02 0.42 0.48 0.68 0.00 0.00 0.00 175.10 176.71 2dmc s VAL 104 N -0.76 0.03 -1.14 2.92 -7.23 -1.26 -0.91 120.40 112.05 2dmc s VAL 104 Ca 0.11 -0.24 -0.18 0.00 -1.81 0.00 0.00 61.98 59.86 2dmc s VAL 104 Cb -0.10 -0.79 0.10 0.00 0.56 0.00 0.00 36.38 36.15 2dmc s VAL 104 CO 0.01 -0.13 1.48 0.00 -0.31 0.00 0.00 175.10 176.15 2dmc s GLN 105 N -1.16 3.84 0.00 4.82 0.00 -1.26 -4.23 119.66 121.67 2dmc s GLN 105 Ca -0.12 -1.87 0.00 0.00 -0.00 0.00 0.00 55.36 53.38 2dmc s GLN 105 Cb -0.03 -5.26 0.00 0.00 0.00 0.00 0.00 33.01 27.72 2dmc s GLN 105 CO 0.07 -2.04 0.71 0.43 0.00 0.00 0.00 175.29 174.46 2dmc n SER 106 N 7.53 0.00 -4.34 12.60 7.64 -1.26 -4.80 113.62 130.99 2dmc n SER 106 Ca 0.37 0.85 -0.42 0.00 1.01 0.00 0.00 58.87 60.68 2dmc n SER 106 Cb 0.47 -0.49 -0.00 0.00 -1.01 0.00 0.00 64.21 63.18 2dmc n SER 106 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2dmc n GLU 107 N -1.96 0.12 -0.12 1.43 4.07 -1.26 -4.94 120.64 117.98 2dmc n GLU 107 Ca 0.00 0.05 -0.25 0.00 -0.06 0.00 0.00 57.16 56.89 2dmc n GLU 107 Cb 0.00 -1.12 -0.09 0.00 -0.06 0.00 0.00 31.44 30.18 2dmc n GLU 107 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 2dmc n ILE 108 N -0.96 1.32 0.00 6.31 5.41 -1.26 -5.10 119.36 125.09 2dmc n ILE 108 Ca 0.12 -0.35 0.00 0.00 1.00 0.00 0.00 62.75 63.52 2dmc n ILE 108 Cb 0.39 -1.79 0.00 0.00 -0.71 0.00 0.00 39.64 37.53 2dmc n ILE 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2dmc n GLY 109 N 1.55 -1.27 3.14 7.39 0.00 -1.26 -5.17 105.19 109.57 2dmc n GLY 109 Ca -0.47 0.63 -0.14 0.00 0.00 0.00 0.00 46.02 46.04 2dmc n GLY 109 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dmc s ASP 110 N 2.00 1.29 -0.58 1.61 2.15 -1.26 -5.05 116.67 116.83 2dmc s ASP 110 Ca 0.00 -0.74 -0.02 0.00 0.43 0.00 0.00 52.55 52.22 2dmc s ASP 110 Cb 0.00 0.02 0.27 0.00 -0.30 0.00 0.00 42.92 42.91 2dmc s ASP 110 CO 0.00 -0.25 2.21 -0.24 -0.17 0.00 0.00 175.17 176.73 2dmc n SER 111 N 0.81 7.08 -4.47 -0.34 2.88 -1.26 -5.01 113.62 113.31 2dmc n SER 111 Ca -0.18 -3.49 -0.41 0.00 -1.33 0.00 0.00 58.87 53.46 2dmc n SER 111 Cb 0.57 -1.08 0.01 0.00 -0.75 0.00 0.00 64.21 62.96 2dmc n SER 111 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dmc n GLY 112 N -0.09 -1.39 0.24 0.46 0.00 -1.26 -4.89 105.19 98.27 2dmc n GLY 112 Ca 0.50 0.01 -0.10 0.00 0.00 0.00 0.00 46.02 46.43 2dmc n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmc h PRO 113 N 0.75 0.74 -1.85 1.61 0.13 -2.08 -3.44 132.00 127.84 2dmc h PRO 113 Ca -0.42 -0.39 0.08 0.00 -0.87 0.00 0.00 66.00 64.40 2dmc h PRO 113 Cb 1.39 0.01 -0.21 0.00 0.13 0.00 0.00 31.00 32.33 2dmc h PRO 113 CO 0.51 1.01 -0.03 0.45 -0.23 0.00 0.00 178.00 179.71 2dmc s SER 114 N -6.85 -1.00 -0.07 1.44 0.15 -1.26 -5.16 113.70 100.94 2dmc s SER 114 Ca -0.09 1.43 -0.10 0.00 0.70 0.00 0.00 55.95 57.89 2dmc s SER 114 Cb 0.12 1.97 -0.05 0.00 -1.71 0.00 0.00 66.02 66.35 2dmc s SER 114 CO 0.85 -0.21 0.26 -0.44 1.20 0.00 0.00 173.24 174.90 2dmc s SER 115 N 2.48 6.57 0.00 5.45 0.01 -1.26 -5.25 113.70 121.69 2dmc s SER 115 Ca -0.07 0.68 0.20 0.00 1.31 0.00 0.00 55.95 58.07 2dmc s SER 115 Cb -0.09 -2.15 0.16 0.00 0.21 0.00 0.00 66.02 64.15 2dmc s SER 115 CO -0.19 0.37 1.14 0.61 0.41 0.00 0.00 173.24 175.58