#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 2.21 -0.33 1.61 1.04 -1.26 -5.11 113.70 111.86 2dmc s SER 2 Ca 0.00 -0.34 -0.02 0.00 0.48 0.00 0.00 55.95 56.07 2dmc s SER 2 Cb 0.00 -0.92 0.07 0.00 0.10 0.00 0.00 66.02 65.27 2dmc s SER 2 CO 0.00 -0.07 0.06 -0.94 0.98 0.00 0.00 173.24 173.27 2dmc s SER 3 N 1.41 5.01 0.13 7.02 1.04 -1.26 -4.92 113.70 122.13 2dmc s SER 3 Ca 0.00 -1.49 0.00 0.00 0.48 0.00 0.00 55.95 54.94 2dmc s SER 3 Cb -0.13 -1.75 0.00 0.00 0.10 0.00 0.00 66.02 64.24 2dmc s SER 3 CO -0.06 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 174.43 2dmc n GLY 4 N 4.61 -0.09 3.55 7.32 0.00 -1.26 -5.13 105.19 114.19 2dmc n GLY 4 Ca -0.10 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.77 2dmc n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dmc s SER 5 N -5.74 -0.67 0.02 1.61 1.04 -1.26 -5.17 113.70 103.52 2dmc s SER 5 Ca 0.00 1.04 0.05 0.00 0.48 0.00 0.00 55.95 57.52 2dmc s SER 5 Cb 0.00 0.98 -0.02 0.00 0.10 0.00 0.00 66.02 67.08 2dmc s SER 5 CO 0.00 -0.41 -0.15 -0.55 0.98 0.00 0.00 173.24 173.11 2dmc s SER 6 N -0.39 1.81 0.00 7.02 0.15 -1.26 -4.88 113.70 116.15 2dmc s SER 6 Ca -0.05 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.21 2dmc s SER 6 Cb -0.03 -0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.12 2dmc s SER 6 CO 0.05 0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.22 2dmc n GLY 7 N 2.25 0.69 3.48 9.45 0.00 -1.26 -5.02 105.19 114.78 2dmc n GLY 7 Ca -0.16 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 2dmc n GLY 7 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2dmc n ILE 8 N -0.60 1.94 -2.08 -0.61 -0.00 -1.26 -4.92 119.36 111.83 2dmc n ILE 8 Ca 0.00 -0.50 -0.34 0.00 -0.00 0.00 0.00 62.75 61.91 2dmc n ILE 8 Cb 0.24 -0.65 0.02 0.00 -0.00 0.00 0.00 39.64 39.25 2dmc n ILE 8 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 2dmc s PRO 9 N -1.69 3.16 0.00 6.28 0.04 -1.26 -4.86 135.00 136.66 2dmc s PRO 9 Ca 0.64 1.53 0.00 0.00 0.04 0.00 0.00 61.00 63.20 2dmc s PRO 9 Cb -0.58 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 31.97 2dmc s PRO 9 CO 0.57 -0.99 0.00 0.41 0.04 0.00 0.00 177.00 177.03 2dmc n GLY 10 N -0.10 -0.10 2.91 0.56 0.00 -1.26 -5.10 105.19 102.09 2dmc n GLY 10 Ca 0.11 -1.10 -0.20 0.00 0.00 0.00 0.00 46.02 44.84 2dmc n GLY 10 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dmc s SER 11 N -0.03 0.95 0.96 1.61 0.15 -1.26 -5.14 113.70 110.94 2dmc s SER 11 Ca 0.00 -0.14 -0.12 0.00 0.70 0.00 0.00 55.95 56.39 2dmc s SER 11 Cb 0.00 -0.45 0.17 0.00 -1.71 0.00 0.00 66.02 64.03 2dmc s SER 11 CO 0.00 -0.04 1.09 -2.16 1.20 0.00 0.00 173.24 173.33 2dmc s PRO 12 N 0.82 0.71 -0.04 5.44 0.04 -1.26 -5.03 135.00 135.67 2dmc s PRO 12 Ca -0.11 0.63 -0.05 0.00 0.04 0.00 0.00 61.00 61.51 2dmc s PRO 12 Cb -0.14 -1.76 -0.03 0.00 0.04 0.00 0.00 34.50 32.61 2dmc s PRO 12 CO 0.00 -2.57 -0.11 0.34 0.04 0.00 0.00 177.00 174.71 2dmc n PHE 13 N -4.08 0.00 -3.45 0.56 7.35 -1.26 -5.01 117.46 111.58 2dmc n PHE 13 Ca 0.06 0.00 -0.37 0.00 -0.76 0.00 0.00 57.45 56.37 2dmc n PHE 13 Cb 0.56 -0.24 -0.07 0.00 0.35 0.00 0.00 39.48 40.09 2dmc n PHE 13 CO 0.00 0.00 0.00 -0.08 -0.76 0.00 0.00 176.76 175.92 2dmc s THR 14 N -2.20 5.25 -0.64 -2.13 -1.32 -1.26 -5.04 115.64 108.29 2dmc s THR 14 Ca -0.10 0.66 -0.10 0.00 -1.21 0.00 0.00 61.69 60.93 2dmc s THR 14 Cb 0.03 -3.69 0.17 0.00 -1.51 0.00 0.00 72.50 67.49 2dmc s THR 14 CO 0.14 0.32 0.54 0.00 -2.21 0.00 0.00 174.62 173.41 2dmc s ALA 15 N 0.88 3.72 -0.04 11.08 0.00 -1.26 -4.83 121.76 131.31 2dmc s ALA 15 Ca 0.19 -2.99 -0.04 0.00 0.00 0.00 0.00 51.96 49.11 2dmc s ALA 15 Cb -0.14 -3.09 -0.03 0.00 0.00 0.00 0.00 23.12 19.86 2dmc s ALA 15 CO 0.07 -2.10 -0.10 1.17 0.00 0.00 0.00 175.76 174.79 2dmc n LYS 16 N 4.29 0.16 -3.04 0.00 4.81 -1.26 -5.00 118.16 118.12 2dmc n LYS 16 Ca 0.03 0.07 -0.40 0.00 -0.87 0.00 0.00 58.31 57.13 2dmc n LYS 16 Cb 0.42 -0.78 -0.05 0.00 0.02 0.00 0.00 35.03 34.65 2dmc n LYS 16 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 2dmc s ILE 17 N -2.19 4.99 -0.04 3.15 2.07 -1.26 -5.03 121.20 122.88 2dmc s ILE 17 Ca -0.10 1.37 -0.29 0.00 -1.41 0.00 0.00 60.65 60.22 2dmc s ILE 17 Cb 0.03 -4.02 0.09 0.00 0.13 0.00 0.00 42.46 38.69 2dmc s ILE 17 CO 0.13 0.12 0.81 0.28 -1.91 0.00 0.00 174.94 174.38 2dmc s THR 18 N 1.70 0.00 -0.16 4.00 -1.32 -1.26 -5.15 115.64 113.45 2dmc s THR 18 Ca 0.33 0.00 -0.04 0.00 -1.21 0.00 0.00 61.69 60.77 2dmc s THR 18 Cb -0.16 -1.00 0.07 0.00 -1.51 0.00 0.00 72.50 69.90 2dmc s THR 18 CO 0.13 0.00 0.16 1.51 -2.21 0.00 0.00 174.62 174.21 2dmc s ASP 19 N -1.70 1.48 -0.10 8.08 1.47 -1.26 -5.03 116.67 119.61 2dmc s ASP 19 Ca -0.03 -0.18 -0.23 0.00 1.18 0.00 0.00 52.55 53.29 2dmc s ASP 19 Cb -0.01 0.16 -0.28 0.00 -0.34 0.00 0.00 42.92 42.45 2dmc s ASP 19 CO -0.00 -0.31 0.74 0.44 0.68 0.00 0.00 175.17 176.72 2dmc h ASP 20 N 8.36 0.26 -4.47 2.11 3.32 -2.01 -3.48 116.42 120.50 2dmc h ASP 20 Ca -0.15 -0.92 -0.39 0.00 0.02 0.00 0.00 57.03 55.59 2dmc h ASP 20 Cb 1.14 -0.08 0.02 0.00 0.22 0.00 0.00 39.33 40.63 2dmc h ASP 20 CO 0.24 1.30 -0.57 -0.24 -1.72 0.00 0.00 179.24 178.25 2dmc n SER 21 N -4.28 -5.47 -4.57 6.45 2.88 -1.26 -4.98 113.62 102.39 2dmc n SER 21 Ca -0.16 -0.25 -0.25 0.00 -1.33 0.00 0.00 58.87 56.89 2dmc n SER 21 Cb 0.71 -4.46 -0.09 0.00 -0.75 0.00 0.00 64.21 59.61 2dmc n SER 21 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dmc s ARG 22 N -5.65 1.92 -0.06 -1.46 1.70 -1.26 -5.06 118.95 109.07 2dmc s ARG 22 Ca 0.27 -1.79 -0.14 0.00 -0.47 0.00 0.00 55.73 53.60 2dmc s ARG 22 Cb -0.13 -1.84 -0.30 0.00 -0.57 0.00 0.00 34.95 32.12 2dmc s ARG 22 CO 0.33 0.20 0.67 -0.09 -1.08 0.00 0.00 175.30 175.34 2dmc h ARG 23 N 2.00 0.34 -6.97 3.89 9.65 -2.07 -3.46 114.38 117.76 2dmc h ARG 23 Ca -0.42 -0.59 -0.48 0.00 -1.10 0.00 0.00 59.98 57.39 2dmc h ARG 23 Cb 1.25 0.22 0.02 0.00 -1.39 0.00 0.00 29.97 30.07 2dmc h ARG 23 CO 0.66 1.28 0.41 0.00 2.80 0.00 0.00 179.97 185.12 2dmc s SER 25 N -1.61 6.72 -0.21 0.00 0.01 -1.26 -5.02 113.70 112.33 2dmc s SER 25 Ca 0.59 2.35 -0.09 0.00 1.31 0.00 0.00 55.95 60.10 2dmc s SER 25 Cb -0.21 -2.62 -0.05 0.00 0.21 0.00 0.00 66.02 63.35 2dmc s SER 25 CO 0.27 -0.54 0.12 -1.58 0.41 0.00 0.00 173.24 171.92 2dmc s GLN 26 N -2.08 4.09 0.06 12.44 -0.44 -1.26 -4.50 119.66 127.97 2dmc s GLN 26 Ca 0.54 -0.27 0.01 0.00 -2.50 0.00 0.00 55.36 53.13 2dmc s GLN 26 Cb -0.31 -3.39 -0.03 0.00 -1.64 0.00 0.00 33.01 27.63 2dmc s GLN 26 CO 0.40 0.22 -0.06 0.08 0.50 0.00 0.00 175.29 176.43 2dmc s VAL 27 N 0.58 0.49 -0.35 1.34 1.01 -1.26 -4.99 120.40 117.22 2dmc s VAL 27 Ca 0.06 -1.55 -0.19 0.00 0.00 0.00 0.00 61.98 60.31 2dmc s VAL 27 Cb -0.12 -1.18 -0.00 0.00 0.00 0.00 0.00 36.38 35.08 2dmc s VAL 27 CO 0.00 -0.71 0.54 -0.54 0.00 0.00 0.00 175.10 174.39 2dmc s LYS 28 N -2.93 3.63 -0.38 2.72 -0.14 -1.26 -4.18 119.74 117.21 2dmc s LYS 28 Ca 0.01 -0.11 -0.29 0.00 -1.36 0.00 0.00 55.97 54.22 2dmc s LYS 28 Cb -0.00 -3.81 0.02 0.00 -1.68 0.00 0.00 37.83 32.36 2dmc s LYS 28 CO -0.04 -0.66 1.15 -1.17 -0.76 0.00 0.00 175.35 173.86 2dmc s LEU 29 N 2.46 3.80 0.00 3.17 2.96 -1.26 -3.23 118.68 126.58 2dmc s LEU 29 Ca 0.20 0.86 0.00 0.00 -0.22 0.00 0.00 54.13 54.97 2dmc s LEU 29 Cb -0.15 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 42.99 2dmc s LEU 29 CO 0.14 -1.07 0.00 0.61 -1.32 0.00 0.00 176.35 174.71 2dmc n GLY 30 N 4.33 1.25 3.32 7.98 0.00 -0.36 -4.99 105.19 116.72 2dmc n GLY 30 Ca 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.01 2dmc n GLY 30 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dmc s SER 31 N -2.00 -0.37 -0.35 1.61 0.15 -1.20 -5.01 113.70 106.52 2dmc s SER 31 Ca 0.00 0.54 -0.30 0.00 0.70 0.00 0.00 55.95 56.89 2dmc s SER 31 Cb 0.00 0.61 -0.08 0.00 -1.71 0.00 0.00 66.02 64.84 2dmc s SER 31 CO 0.00 -0.32 2.28 0.00 1.20 0.00 0.00 173.24 176.40 2dmc n ALA 32 N 1.98 1.30 -2.87 5.45 0.00 -1.26 -4.33 120.51 120.79 2dmc n ALA 32 Ca -0.17 -0.36 -0.34 0.00 0.00 0.00 0.00 53.44 52.56 2dmc n ALA 32 Cb 0.57 -2.86 -0.11 0.00 0.00 0.00 0.00 19.45 17.05 2dmc n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dmc s ALA 33 N 9.01 3.29 0.04 0.00 0.00 -0.73 -4.92 121.76 128.44 2dmc s ALA 33 Ca 1.04 -0.80 -0.23 0.00 0.00 0.00 0.00 51.96 51.97 2dmc s ALA 33 Cb -0.48 -1.85 -0.06 0.00 0.00 0.00 0.00 23.12 20.73 2dmc s ALA 33 CO 0.37 0.12 0.69 -0.51 0.00 0.00 0.00 175.76 176.44 2dmc s ASP 34 N 0.50 7.13 -0.16 0.00 1.01 -1.26 -3.60 116.67 120.29 2dmc s ASP 34 Ca 0.02 1.35 0.02 0.00 0.71 0.00 0.00 52.55 54.64 2dmc s ASP 34 Cb -0.13 -2.43 0.01 0.00 1.01 0.00 0.00 42.92 41.38 2dmc s ASP 34 CO 0.01 0.08 -0.20 -0.36 0.21 0.00 0.00 175.17 174.91 2dmc s PHE 35 N -0.24 2.73 -0.30 4.23 0.40 -0.93 -5.01 117.98 118.86 2dmc s PHE 35 Ca 0.35 -1.43 -0.16 0.00 -0.60 0.00 0.00 56.93 55.09 2dmc s PHE 35 Cb -0.20 -1.87 -0.02 0.00 0.51 0.00 0.00 43.02 41.44 2dmc s PHE 35 CO 0.21 -0.68 0.41 -1.17 0.70 0.00 0.00 175.22 174.70 2dmc s LEU 36 N 1.02 4.20 0.17 -0.37 2.96 -1.26 -2.83 118.68 122.56 2dmc s LEU 36 Ca -0.02 0.12 0.06 0.00 -0.22 0.00 0.00 54.13 54.07 2dmc s LEU 36 Cb -0.14 -2.46 -0.04 0.00 0.50 0.00 0.00 46.19 44.04 2dmc s LEU 36 CO -0.06 -0.30 -0.13 -1.48 -1.32 0.00 0.00 176.35 173.06 2dmc s LEU 37 N 2.15 2.50 -0.57 -0.68 2.34 -1.25 -5.07 118.68 118.11 2dmc s LEU 37 Ca 0.16 -0.95 -0.12 0.00 0.06 0.00 0.00 54.13 53.27 2dmc s LEU 37 Cb -0.16 -0.57 0.14 0.00 -0.56 0.00 0.00 46.19 45.05 2dmc s LEU 37 CO 0.11 -0.20 0.48 -0.62 -1.06 0.00 0.00 176.35 175.07 2dmc s ASP 38 N -3.01 6.05 0.10 1.48 -1.08 -1.26 -4.64 116.67 114.31 2dmc s ASP 38 Ca 0.17 -2.04 0.10 0.00 -0.52 0.00 0.00 52.55 50.26 2dmc s ASP 38 Cb -0.01 -2.12 -0.04 0.00 -1.46 0.00 0.00 42.92 39.29 2dmc s ASP 38 CO 0.04 -0.73 -0.26 0.27 0.52 0.00 0.00 175.17 175.01 2dmc s ILE 39 N 1.19 2.15 -0.24 4.11 -4.36 -1.26 -5.02 121.20 117.77 2dmc s ILE 39 Ca 0.07 -1.62 0.02 0.00 -0.26 0.00 0.00 60.65 58.86 2dmc s ILE 39 Cb -0.25 -1.89 0.31 0.00 1.25 0.00 0.00 42.46 41.89 2dmc s ILE 39 CO -0.01 0.15 1.55 -1.20 0.24 0.00 0.00 174.94 175.67 2dmc n SER 40 N 1.20 3.87 -3.99 4.36 7.64 -1.26 -4.80 113.62 120.64 2dmc n SER 40 Ca -0.18 -2.84 -0.29 0.00 1.01 0.00 0.00 58.87 56.57 2dmc n SER 40 Cb 0.53 -0.73 -0.17 0.00 -1.01 0.00 0.00 64.21 62.83 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 -1.68 2.06 -0.21 1.43 0.41 -1.26 -5.01 118.70 114.45 2dmc s GLU 41 Ca 0.29 -0.47 -0.15 0.00 -0.41 0.00 0.00 54.97 54.24 2dmc s GLU 41 Cb 0.24 -1.94 -0.19 0.00 -1.78 0.00 0.00 34.13 30.46 2dmc s GLU 41 CO 0.05 -0.24 0.10 -2.37 -0.49 0.00 0.00 175.26 172.31 2dmc n THR 42 N 4.79 1.59 -1.64 3.63 5.66 -1.26 -4.92 114.28 122.13 2dmc n THR 42 Ca -0.16 -0.29 -0.53 0.00 -3.05 0.00 0.00 64.05 60.01 2dmc n THR 42 Cb 0.50 -1.89 -0.06 0.00 -1.55 0.00 0.00 70.33 67.33 2dmc n THR 42 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2dmc n ASP 43 N -4.07 2.04 -0.07 1.09 9.92 -1.26 -4.90 116.55 119.30 2dmc n ASP 43 Ca -0.38 1.10 -0.05 0.00 -0.53 0.00 0.00 54.79 54.93 2dmc n ASP 43 Cb 0.84 -1.19 -0.02 0.00 -0.64 0.00 0.00 41.12 40.11 2dmc n ASP 43 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2dmc n LEU 44 N 3.71 1.81 -0.16 0.64 4.77 -1.26 -4.06 117.00 122.45 2dmc n LEU 44 Ca 0.21 0.63 -0.06 0.00 -0.03 0.00 0.00 56.01 56.76 2dmc n LEU 44 Cb 0.18 -0.87 0.04 0.00 -2.33 0.00 0.00 43.42 40.43 2dmc n LEU 44 CO 0.69 -0.45 1.05 -1.28 -1.33 0.00 0.00 177.39 176.07 2dmc h SER 45 N -1.00 0.47 0.00 -1.43 0.87 -1.95 -0.67 113.55 109.84 2dmc h SER 45 Ca -0.01 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2dmc h SER 45 Cb 0.54 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 2dmc h SER 45 CO -0.01 0.33 0.27 0.28 -0.53 0.00 0.00 176.83 177.17 2dmc h SER 46 N 0.58 0.00 -1.85 6.23 0.02 -1.97 -3.41 113.55 113.15 2dmc h SER 46 Ca 0.20 0.00 -0.46 0.00 -0.84 0.00 0.00 61.79 60.70 2dmc h SER 46 Cb 0.03 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 2dmc h SER 46 CO -0.10 0.00 -0.38 -0.76 -1.14 0.00 0.00 176.83 174.45 2dmc s LEU 47 N -5.50 3.91 0.12 5.07 1.43 -0.26 -2.95 118.68 120.50 2dmc s LEU 47 Ca -0.03 -0.24 0.08 0.00 -1.03 0.00 0.00 54.13 52.91 2dmc s LEU 47 Cb 0.08 -2.63 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 2dmc s LEU 47 CO 0.26 -0.37 -0.13 -0.89 0.23 0.00 0.00 176.35 175.45 2dmc s THR 48 N -2.19 3.13 -0.16 5.49 2.01 0.13 -4.94 115.64 119.11 2dmc s THR 48 Ca 0.43 -1.40 -0.00 0.00 0.31 0.00 0.00 61.69 61.03 2dmc s THR 48 Cb -0.09 -2.46 0.04 0.00 0.01 0.00 0.00 72.50 70.00 2dmc s THR 48 CO 0.30 0.09 -0.07 0.00 -0.69 0.00 0.00 174.62 174.25 2dmc s ALA 49 N -1.22 1.53 -0.06 7.40 0.00 -1.26 -3.82 121.76 124.33 2dmc s ALA 49 Ca 0.20 -0.81 -0.11 0.00 0.00 0.00 0.00 51.96 51.24 2dmc s ALA 49 Cb -0.11 -1.09 0.02 0.00 0.00 0.00 0.00 23.12 21.95 2dmc s ALA 49 CO 0.12 -0.67 0.27 0.45 0.00 0.00 0.00 175.76 175.93 2dmc s SER 50 N 1.61 -0.22 -0.06 0.00 0.15 -1.03 -4.85 113.70 109.30 2dmc s SER 50 Ca 0.02 0.31 -0.04 0.00 0.70 0.00 0.00 55.95 56.94 2dmc s SER 50 Cb -0.15 0.44 0.03 0.00 -1.71 0.00 0.00 66.02 64.64 2dmc s SER 50 CO -0.08 -0.25 0.15 -0.63 1.20 0.00 0.00 173.24 173.63 2dmc s ILE 51 N -0.54 -0.02 -0.27 6.45 1.01 -1.26 0.01 121.20 126.58 2dmc s ILE 51 Ca -0.06 0.09 -0.02 0.00 0.00 0.00 0.00 60.65 60.66 2dmc s ILE 51 Cb -0.04 -0.23 0.09 0.00 0.01 0.00 0.00 42.46 42.29 2dmc s ILE 51 CO 0.02 0.04 0.08 -0.75 0.00 0.00 0.00 174.94 174.32 2dmc s LYS 52 N 0.65 0.64 1.03 2.79 2.47 -1.22 -2.48 119.74 123.62 2dmc s LYS 52 Ca -0.05 -0.78 -0.24 0.00 -1.56 0.00 0.00 55.97 53.34 2dmc s LYS 52 Cb -0.06 -1.92 -0.10 0.00 -1.46 0.00 0.00 37.83 34.28 2dmc s LYS 52 CO -0.03 -0.87 -1.03 0.00 0.16 0.00 0.00 175.35 173.58 2dmc n ALA 53 N 4.97 -5.28 0.32 3.13 0.00 0.98 -4.24 120.51 120.39 2dmc n ALA 53 Ca -0.05 -1.31 0.15 0.00 0.00 0.00 0.00 53.44 52.24 2dmc n ALA 53 Cb 0.44 -1.04 0.63 0.00 0.00 0.00 0.00 19.45 19.48 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 -1.32 0.00 -0.49 0.00 0.13 -1.88 -2.34 132.00 126.10 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 0.26 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 178.48 2dmc n SER 55 N -2.77 3.06 0.00 1.44 2.88 -1.26 -4.91 113.62 112.06 2dmc n SER 55 Ca 0.01 -1.96 0.00 0.00 -1.33 0.00 0.00 58.87 55.59 2dmc n SER 55 Cb 0.27 -0.33 0.00 0.00 -0.75 0.00 0.00 64.21 63.40 2dmc n SER 55 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dmc n GLY 56 N 1.42 0.44 3.61 0.46 0.00 -0.88 -5.03 105.19 105.21 2dmc n GLY 56 Ca 0.19 -0.98 -0.38 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.11 3.99 0.40 1.61 1.81 -1.26 -4.85 118.95 118.54 2dmc s ARG 57 Ca 0.00 -0.20 -0.24 0.00 -1.72 0.00 0.00 55.73 53.57 2dmc s ARG 57 Cb 0.00 -3.64 -0.09 0.00 -0.45 0.00 0.00 34.95 30.77 2dmc s ARG 57 CO 0.00 -0.16 1.04 0.34 -0.68 0.00 0.00 175.30 175.84 2dmc s ASP 58 N 1.59 6.78 0.03 0.23 2.15 -1.26 -0.01 116.67 126.18 2dmc s ASP 58 Ca 0.10 2.03 0.07 0.00 0.43 0.00 0.00 52.55 55.17 2dmc s ASP 58 Cb -0.16 -2.58 -0.02 0.00 -0.30 0.00 0.00 42.92 39.86 2dmc s ASP 58 CO 0.10 -0.48 -0.19 -1.61 -0.17 0.00 0.00 175.17 172.82 2dmc s GLU 59 N -2.49 1.32 -0.83 4.34 0.41 -1.04 -4.91 118.70 115.51 2dmc s GLU 59 Ca 0.58 -0.85 -0.25 0.00 -0.41 0.00 0.00 54.97 54.04 2dmc s GLU 59 Cb -0.22 -1.39 -0.04 0.00 -1.78 0.00 0.00 34.13 30.70 2dmc s GLU 59 CO 0.27 0.36 1.93 -1.25 -0.49 0.00 0.00 175.26 176.08 2dmc s PRO 60 N -1.02 2.57 -0.03 0.39 0.04 -1.26 -4.44 135.00 131.24 2dmc s PRO 60 Ca 0.06 -0.05 -0.03 0.00 0.04 0.00 0.00 61.00 61.02 2dmc s PRO 60 Cb -0.08 -4.89 -0.04 0.00 0.04 0.00 0.00 34.50 29.53 2dmc s PRO 60 CO 0.01 -3.22 0.15 0.00 0.04 0.00 0.00 177.00 173.98 2dmc s LEU 62 N -1.72 -0.10 0.12 0.00 1.98 0.79 -4.88 118.68 114.87 2dmc s LEU 62 Ca 0.24 0.37 -0.30 0.00 -2.89 0.00 0.00 54.13 51.55 2dmc s LEU 62 Cb -0.12 0.33 -0.06 0.00 0.66 0.00 0.00 46.19 47.00 2dmc s LEU 62 CO 0.15 -0.24 1.01 -0.76 -1.89 0.00 0.00 176.35 174.62 2dmc s LEU 63 N 2.29 4.48 0.31 -0.68 1.43 -1.26 -1.53 118.68 123.72 2dmc s LEU 63 Ca 0.03 1.87 0.05 0.00 -1.03 0.00 0.00 54.13 55.04 2dmc s LEU 63 Cb -0.12 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.48 2dmc s LEU 63 CO -0.06 -0.14 0.27 -1.59 0.23 0.00 0.00 176.35 175.06 2dmc s LYS 64 N 0.05 1.67 -0.23 1.70 -2.85 -1.17 -4.98 119.74 113.92 2dmc s LYS 64 Ca 0.49 -1.91 -0.07 0.00 -1.00 0.00 0.00 55.97 53.47 2dmc s LYS 64 Cb -0.25 0.33 -0.03 0.00 -2.06 0.00 0.00 37.83 35.82 2dmc s LYS 64 CO 0.31 -0.62 0.05 0.50 0.10 0.00 0.00 175.35 175.69 2dmc s ARG 65 N -3.54 3.66 0.30 1.78 3.00 -1.26 -3.64 118.95 119.25 2dmc s ARG 65 Ca 0.39 -0.48 -0.07 0.00 -1.00 0.00 0.00 55.73 54.57 2dmc s ARG 65 Cb 0.03 -3.26 -0.06 0.00 0.00 0.00 0.00 34.95 31.66 2dmc s ARG 65 CO 0.24 -0.12 0.60 -0.51 0.00 0.00 0.00 175.30 175.51 2dmc s LEU 66 N 1.41 4.03 1.11 -0.88 1.43 0.13 -4.97 118.68 120.95 2dmc s LEU 66 Ca 0.05 0.85 -0.16 0.00 -1.03 0.00 0.00 54.13 53.84 2dmc s LEU 66 Cb -0.15 -3.67 0.24 0.00 0.03 0.00 0.00 46.19 42.65 2dmc s LEU 66 CO 0.03 -0.21 1.10 -2.16 0.23 0.00 0.00 176.35 175.34 2dmc s PRO 67 N -3.45 -0.49 -1.40 1.29 0.04 -1.26 -2.42 135.00 127.32 2dmc s PRO 67 Ca 0.46 0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.70 2dmc s PRO 67 Cb -0.11 -1.66 0.00 0.00 0.04 0.00 0.00 34.50 32.77 2dmc s PRO 67 CO 0.28 -3.28 0.00 -1.71 0.04 0.00 0.00 177.00 172.33 2dmc n ASN 68 N -4.50 -4.70 -3.13 6.66 2.85 -1.26 -2.56 115.26 108.62 2dmc n ASN 68 Ca 0.09 0.08 -0.18 0.00 -0.11 0.00 0.00 54.58 54.47 2dmc n ASN 68 Cb 0.58 -3.77 0.07 0.00 1.24 0.00 0.00 39.78 37.91 2dmc n ASN 68 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 2dmc n ASN 69 N -0.84 -3.97 -4.29 1.20 4.13 -1.26 -5.02 115.26 105.21 2dmc n ASN 69 Ca -0.18 -0.50 -0.16 0.00 1.68 0.00 0.00 54.58 55.42 2dmc n ASN 69 Cb 0.61 -4.45 -0.10 0.00 -1.54 0.00 0.00 39.78 34.30 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 -3.29 1.45 -0.06 3.10 3.76 -1.01 -5.06 115.29 114.17 2dmc s HIS 70 Ca 0.26 -0.69 -0.06 0.00 -0.15 0.00 0.00 55.06 54.42 2dmc s HIS 70 Cb -0.11 -0.71 0.02 0.00 1.11 0.00 0.00 32.58 32.88 2dmc s HIS 70 CO 0.63 0.19 0.18 0.42 -0.85 0.00 0.00 174.74 175.31 2dmc s ILE 71 N -3.19 0.00 0.27 0.60 1.01 -1.26 0.22 121.20 118.85 2dmc s ILE 71 Ca 0.19 -0.04 -0.04 0.00 0.00 0.00 0.00 60.65 60.76 2dmc s ILE 71 Cb 0.01 -0.27 0.02 0.00 0.01 0.00 0.00 42.46 42.23 2dmc s ILE 71 CO 0.03 -0.02 0.42 0.61 0.00 0.00 0.00 174.94 175.98 2dmc n GLY 72 N 2.89 2.07 3.75 6.18 0.00 -1.24 -3.82 105.19 115.02 2dmc n GLY 72 Ca -0.13 -1.46 -0.30 0.00 0.00 0.00 0.00 46.02 44.13 2dmc n GLY 72 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2dmc s ILE 73 N -2.62 4.36 -0.22 -0.61 2.07 -1.13 -3.06 121.20 119.99 2dmc s ILE 73 Ca 0.19 -0.85 0.00 0.00 -1.41 0.00 0.00 60.65 58.58 2dmc s ILE 73 Cb -0.01 -3.10 0.06 0.00 0.13 0.00 0.00 42.46 39.53 2dmc s ILE 73 CO 0.14 0.11 -0.04 -0.55 -1.91 0.00 0.00 174.94 172.69 2dmc s SER 74 N -2.39 3.58 0.09 4.50 0.15 -0.58 -2.19 113.70 116.86 2dmc s SER 74 Ca 0.28 -1.06 -0.09 0.00 0.70 0.00 0.00 55.95 55.79 2dmc s SER 74 Cb -0.12 -1.06 -0.00 0.00 -1.71 0.00 0.00 66.02 63.13 2dmc s SER 74 CO 0.21 -0.24 0.19 0.72 1.20 0.00 0.00 173.24 175.32 2dmc s PHE 75 N 1.50 0.17 -0.49 3.44 -0.71 -1.24 -0.15 117.98 120.50 2dmc s PHE 75 Ca -0.04 -0.60 -0.11 0.00 -1.04 0.00 0.00 56.93 55.13 2dmc s PHE 75 Cb -0.18 -0.06 0.12 0.00 -1.21 0.00 0.00 43.02 41.68 2dmc s PHE 75 CO -0.07 -0.56 0.39 0.42 -1.34 0.00 0.00 175.22 174.06 2dmc s ILE 76 N -3.87 4.55 -0.05 -4.49 1.01 -1.24 -1.77 121.20 115.34 2dmc s ILE 76 Ca 0.06 -1.64 -0.30 0.00 0.00 0.00 0.00 60.65 58.77 2dmc s ILE 76 Cb 0.05 -3.94 -0.05 0.00 0.01 0.00 0.00 42.46 38.53 2dmc s ILE 76 CO -0.10 -0.77 1.49 -2.16 0.00 0.00 0.00 174.94 173.40 2dmc s PRO 77 N 1.45 4.22 -0.10 2.79 0.04 -1.26 -4.63 135.00 137.51 2dmc s PRO 77 Ca 0.05 2.02 0.06 0.00 0.04 0.00 0.00 61.00 63.16 2dmc s PRO 77 Cb -0.27 -3.79 -0.24 0.00 0.04 0.00 0.00 34.50 30.24 2dmc s PRO 77 CO 0.01 -0.73 0.42 -2.13 0.04 0.00 0.00 177.00 174.61 2dmc n ARG 78 N 6.41 0.68 -4.21 4.56 3.00 -1.26 -1.23 116.66 124.61 2dmc n ARG 78 Ca 0.15 0.24 -0.27 0.00 -0.00 0.00 0.00 57.85 57.97 2dmc n ARG 78 Cb 0.43 -1.71 -0.08 0.00 0.00 0.00 0.00 32.46 31.10 2dmc n ARG 78 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 2dmc s GLU 79 N -2.57 2.34 -0.08 -0.14 2.56 -1.26 -4.80 118.70 114.75 2dmc s GLU 79 Ca -0.14 -1.10 -0.03 0.00 0.00 0.00 0.00 54.97 53.70 2dmc s GLU 79 Cb 0.07 -2.34 -0.04 0.00 2.00 0.00 0.00 34.13 33.83 2dmc s GLU 79 CO 0.79 0.46 0.07 0.14 -0.56 0.00 0.00 175.26 176.17 2dmc s VAL 80 N -1.64 4.86 0.00 3.70 -7.23 -1.26 -4.85 120.40 113.97 2dmc s VAL 80 Ca 0.26 -0.12 0.00 0.00 -1.81 0.00 0.00 61.98 60.31 2dmc s VAL 80 Cb -0.10 -3.12 0.00 0.00 0.56 0.00 0.00 36.38 33.73 2dmc s VAL 80 CO 0.18 0.55 0.00 0.61 -0.31 0.00 0.00 175.10 176.12 2dmc n GLY 81 N 1.84 0.25 3.30 2.32 0.00 0.93 -4.93 105.19 108.90 2dmc n GLY 81 Ca -0.18 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 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 -1.35 2.72 -0.10 1.61 2.12 -1.26 -0.20 118.70 122.24 2dmc s GLU 82 Ca 0.00 -1.44 -0.11 0.00 0.36 0.00 0.00 54.97 53.78 2dmc s GLU 82 Cb 0.00 -3.90 -0.05 0.00 0.26 0.00 0.00 34.13 30.44 2dmc s GLU 82 CO 0.00 -0.99 0.26 -1.01 -0.54 0.00 0.00 175.26 172.99 2dmc s HIS 83 N 1.49 3.59 -0.28 5.30 3.76 0.00 -4.26 115.29 124.89 2dmc s HIS 83 Ca 0.03 0.68 -0.07 0.00 -0.15 0.00 0.00 55.06 55.55 2dmc s HIS 83 Cb -0.24 -2.17 -0.00 0.00 1.11 0.00 0.00 32.58 31.29 2dmc s HIS 83 CO 0.03 0.55 0.08 -0.51 -0.85 0.00 0.00 174.74 174.05 2dmc s LEU 84 N -0.56 3.76 -0.36 0.89 1.43 -1.26 -1.40 118.68 121.17 2dmc s LEU 84 Ca 0.18 -0.56 -0.17 0.00 -1.03 0.00 0.00 54.13 52.54 2dmc s LEU 84 Cb -0.14 -1.90 -0.00 0.00 0.03 0.00 0.00 46.19 44.18 2dmc s LEU 84 CO 0.06 -0.15 0.48 -0.69 0.23 0.00 0.00 176.35 176.28 2dmc s VAL 85 N 1.54 5.05 -0.50 -1.59 1.01 -0.29 -3.39 120.40 122.22 2dmc s VAL 85 Ca 0.04 0.19 -0.27 0.00 0.00 0.00 0.00 61.98 61.94 2dmc s VAL 85 Cb -0.17 -3.95 0.03 0.00 0.00 0.00 0.00 36.38 32.30 2dmc s VAL 85 CO 0.03 -0.23 1.05 -0.44 0.00 0.00 0.00 175.10 175.51 2dmc s SER 86 N 1.77 6.51 -0.23 3.32 0.01 0.10 0.08 113.70 125.27 2dmc s SER 86 Ca 0.16 0.16 0.02 0.00 1.31 0.00 0.00 55.95 57.60 2dmc s SER 86 Cb -0.16 -2.50 0.04 0.00 0.21 0.00 0.00 66.02 63.62 2dmc s SER 86 CO 0.13 -1.23 -0.14 -0.63 0.41 0.00 0.00 173.24 171.78 2dmc s ILE 87 N 4.24 2.08 0.32 1.44 -1.09 -1.26 -2.48 121.20 124.46 2dmc s ILE 87 Ca 0.41 -1.33 0.03 0.00 -2.23 0.00 0.00 60.65 57.53 2dmc s ILE 87 Cb -0.09 -2.07 -0.04 0.00 -1.58 0.00 0.00 42.46 38.67 2dmc s ILE 87 CO 0.27 0.19 0.12 -0.54 -1.23 0.00 0.00 174.94 173.75 2dmc s LYS 88 N 1.20 1.65 -0.19 2.79 1.02 -1.25 -1.21 119.74 123.75 2dmc s LYS 88 Ca -0.03 -1.95 -0.01 0.00 0.02 0.00 0.00 55.97 53.99 2dmc s LYS 88 Cb -0.17 -0.39 0.05 0.00 -0.52 0.00 0.00 37.83 36.80 2dmc s LYS 88 CO -0.08 -0.38 -0.01 0.21 -0.92 0.00 0.00 175.35 174.17 2dmc s LYS 89 N -3.84 1.05 -1.74 1.68 2.20 0.28 0.17 119.74 119.53 2dmc s LYS 89 Ca 0.33 -0.53 0.00 0.00 -0.36 0.00 0.00 55.97 55.41 2dmc s LYS 89 Cb 0.06 -2.11 0.00 0.00 -1.51 0.00 0.00 37.83 34.26 2dmc s LYS 89 CO 0.16 -0.56 0.00 0.09 -0.36 0.00 0.00 175.35 174.68 2dmc n ASN 90 N 4.93 -5.65 0.00 1.43 5.03 -1.15 -1.53 115.26 118.31 2dmc n ASN 90 Ca -0.10 0.04 0.00 0.00 0.87 0.00 0.00 54.58 55.38 2dmc n ASN 90 Cb 0.47 -4.70 0.00 0.00 -1.02 0.00 0.00 39.78 34.53 2dmc n ASN 90 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2dmc n GLY 91 N -0.97 0.70 2.78 7.41 0.00 -1.26 -5.05 105.19 108.80 2dmc n GLY 91 Ca -0.23 -0.42 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.38 3.89 0.22 1.61 0.01 -0.59 -5.10 114.94 112.61 2dmc s ASN 92 Ca 0.00 -1.50 -0.17 0.00 -0.71 0.00 0.00 52.86 50.48 2dmc s ASN 92 Cb 0.00 -0.91 -0.11 0.00 0.41 0.00 0.00 41.25 40.64 2dmc s ASN 92 CO 0.00 -0.38 0.19 1.41 -1.51 0.00 0.00 177.10 176.81 2dmc n HIS 93 N 4.82 -1.00 -3.06 2.20 8.25 -1.26 -0.56 115.22 124.61 2dmc n HIS 93 Ca -0.04 0.54 -0.20 0.00 -0.26 0.00 0.00 57.72 57.77 2dmc n HIS 93 Cb 0.43 -1.31 0.06 0.00 1.12 0.00 0.00 29.99 30.29 2dmc n HIS 93 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2dmc s VAL 94 N -0.98 2.16 0.29 1.59 -7.23 -0.35 -4.62 120.40 111.27 2dmc s VAL 94 Ca 0.43 -1.01 -0.29 0.00 -1.81 0.00 0.00 61.98 59.30 2dmc s VAL 94 Cb -0.54 -2.18 -0.10 0.00 0.56 0.00 0.00 36.38 34.13 2dmc s VAL 94 CO 0.42 0.00 1.20 0.00 -0.31 0.00 0.00 175.10 176.41 2dmc s ALA 95 N -2.66 3.45 -1.02 1.32 0.00 -1.26 -2.95 121.76 118.65 2dmc s ALA 95 Ca 0.61 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.63 2dmc s ALA 95 Cb -0.06 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.66 2dmc s ALA 95 CO 0.38 -0.38 0.00 0.09 0.00 0.00 0.00 175.76 175.85 2dmc n ASN 96 N 1.17 -3.80 -4.18 0.00 3.02 -1.26 -4.88 115.26 105.33 2dmc n ASN 96 Ca -0.00 0.03 -0.21 0.00 -0.03 0.00 0.00 54.58 54.37 2dmc n ASN 96 Cb 0.43 -2.93 -0.13 0.00 -0.61 0.00 0.00 39.78 36.55 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 -2.54 1.93 0.76 6.41 0.15 -1.15 -3.69 113.70 115.56 2dmc s SER 97 Ca 0.00 -0.51 -0.11 0.00 0.70 0.00 0.00 55.95 56.02 2dmc s SER 97 Cb 0.00 -0.12 0.05 0.00 -1.71 0.00 0.00 66.02 64.23 2dmc s SER 97 CO 0.00 0.05 1.09 -2.16 1.20 0.00 0.00 173.24 173.42 2dmc s PRO 98 N -1.30 2.34 -0.20 5.44 0.04 -1.26 -4.82 135.00 135.25 2dmc s PRO 98 Ca 0.03 1.20 -0.24 0.00 0.04 0.00 0.00 61.00 62.03 2dmc s PRO 98 Cb -0.09 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.54 2dmc s PRO 98 CO 0.02 -1.58 0.81 0.08 0.04 0.00 0.00 177.00 176.36 2dmc s VAL 99 N -2.81 4.88 -0.27 -0.36 1.01 0.11 -4.77 120.40 118.20 2dmc s VAL 99 Ca 0.62 1.56 -0.25 0.00 0.00 0.00 0.00 61.98 63.91 2dmc s VAL 99 Cb -0.18 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.10 2dmc s VAL 99 CO 0.54 0.00 0.86 -0.94 0.00 0.00 0.00 175.10 175.56 2dmc s SER 100 N 1.23 6.82 0.05 3.32 1.04 -1.26 -1.14 113.70 123.76 2dmc s SER 100 Ca 0.36 0.97 0.09 0.00 0.48 0.00 0.00 55.95 57.85 2dmc s SER 100 Cb -0.16 -2.45 -0.03 0.00 0.10 0.00 0.00 66.02 63.48 2dmc s SER 100 CO 0.10 -0.59 -0.24 -0.63 0.98 0.00 0.00 173.24 172.86 2dmc s ILE 101 N 2.99 1.94 -0.26 -1.02 1.01 -0.49 -5.00 121.20 120.36 2dmc s ILE 101 Ca 0.36 -1.34 -0.07 0.00 0.00 0.00 0.00 60.65 59.61 2dmc s ILE 101 Cb -0.15 -1.68 -0.01 0.00 0.01 0.00 0.00 42.46 40.64 2dmc s ILE 101 CO 0.09 0.27 0.05 -0.32 0.00 0.00 0.00 174.94 175.04 2dmc s MET 102 N -1.28 3.39 -0.12 2.79 -2.45 -1.26 -0.82 119.30 119.56 2dmc s MET 102 Ca 0.10 -0.65 -0.04 0.00 -1.25 0.00 0.00 55.69 53.85 2dmc s MET 102 Cb -0.09 -3.29 -0.04 0.00 1.25 0.00 0.00 34.83 32.66 2dmc s MET 102 CO 0.02 -0.29 0.04 0.08 1.05 0.00 0.00 175.02 175.93 2dmc s VAL 103 N 1.55 4.67 0.03 10.11 1.01 0.72 -4.55 120.40 133.94 2dmc s VAL 103 Ca 0.05 -0.10 -0.00 0.00 0.00 0.00 0.00 61.98 61.93 2dmc s VAL 103 Cb -0.16 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 2dmc s VAL 103 CO 0.02 0.57 -0.03 0.68 0.00 0.00 0.00 175.10 176.34 2dmc s VAL 104 N -0.55 0.17 -0.19 2.92 -7.23 -1.26 -0.05 120.40 114.21 2dmc s VAL 104 Ca 0.10 -1.22 -0.29 0.00 -1.81 0.00 0.00 61.98 58.76 2dmc s VAL 104 Cb -0.12 -0.70 -0.00 0.00 0.56 0.00 0.00 36.38 36.12 2dmc s VAL 104 CO 0.02 -0.66 1.13 -1.10 -0.31 0.00 0.00 175.10 174.18 2dmc s GLN 105 N -2.29 4.27 0.56 4.82 -0.21 -1.26 -4.25 119.66 121.29 2dmc s GLN 105 Ca -0.08 1.49 -0.20 0.00 0.02 0.00 0.00 55.36 56.60 2dmc s GLN 105 Cb -0.04 -3.67 -0.05 0.00 1.00 0.00 0.00 33.01 30.25 2dmc s GLN 105 CO -0.04 -0.63 1.20 -1.54 -2.12 0.00 0.00 175.29 172.16 2dmc s SER 106 N 1.50 5.45 -0.03 5.90 1.04 -1.26 -5.04 113.70 121.26 2dmc s SER 106 Ca 0.49 2.37 0.05 0.00 0.48 0.00 0.00 55.95 59.33 2dmc s SER 106 Cb -0.18 -2.60 -0.01 0.00 0.10 0.00 0.00 66.02 63.33 2dmc s SER 106 CO 0.11 -1.42 -0.17 -1.61 0.98 0.00 0.00 173.24 171.13 2dmc s GLU 107 N -3.19 1.53 -0.24 4.02 0.41 -1.26 -5.06 118.70 114.91 2dmc s GLU 107 Ca 0.74 -0.60 -0.10 0.00 -0.41 0.00 0.00 54.97 54.60 2dmc s GLU 107 Cb -0.30 -1.41 -0.05 0.00 -1.78 0.00 0.00 34.13 30.59 2dmc s GLU 107 CO 0.33 0.31 0.15 0.42 -0.49 0.00 0.00 175.26 175.98 2dmc s ILE 108 N -0.20 5.28 0.00 -1.63 -1.09 -1.26 -4.85 121.20 117.44 2dmc s ILE 108 Ca 0.02 0.15 0.00 0.00 -2.23 0.00 0.00 60.65 58.59 2dmc s ILE 108 Cb -0.09 -3.46 0.00 0.00 -1.58 0.00 0.00 42.46 37.33 2dmc s ILE 108 CO 0.00 0.34 0.00 0.61 -1.23 0.00 0.00 174.94 174.67 2dmc n GLY 109 N 4.34 -0.88 3.43 6.18 0.00 -1.26 -5.08 105.19 111.91 2dmc n GLY 109 Ca -0.15 0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 6.06 0.18 1.61 2.15 -1.26 -5.06 116.67 120.36 2dmc s ASP 110 Ca 0.00 -1.03 -0.31 0.00 0.43 0.00 0.00 52.55 51.65 2dmc s ASP 110 Cb 0.00 -2.14 -0.09 0.00 -0.30 0.00 0.00 42.92 40.39 2dmc s ASP 110 CO 0.00 -0.49 1.39 -0.94 -0.17 0.00 0.00 175.17 174.96 2dmc s SER 111 N 1.88 6.78 -0.32 -0.34 1.04 -1.26 -4.93 113.70 116.55 2dmc s SER 111 Ca 0.04 2.47 -0.03 0.00 0.48 0.00 0.00 55.95 58.92 2dmc s SER 111 Cb -0.20 -2.60 0.27 0.00 0.10 0.00 0.00 66.02 63.58 2dmc s SER 111 CO 0.09 -0.64 1.24 0.61 0.98 0.00 0.00 173.24 175.52 2dmc n GLY 112 N 2.80 -1.81 0.20 7.32 0.00 -1.26 -5.03 105.19 107.42 2dmc n GLY 112 Ca 0.09 1.05 -0.05 0.00 0.00 0.00 0.00 46.02 47.11 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 3.18 0.36 -6.57 1.61 0.13 -2.00 -3.37 132.00 125.34 2dmc h PRO 113 Ca -0.23 -0.19 -0.54 0.00 -0.87 0.00 0.00 66.00 64.17 2dmc h PRO 113 Cb 1.21 0.01 0.05 0.00 0.13 0.00 0.00 31.00 32.40 2dmc h PRO 113 CO -0.21 0.74 1.00 -1.13 -0.23 0.00 0.00 178.00 178.17 2dmc n SER 114 N -4.00 3.80 -3.90 1.44 3.41 -1.26 -2.45 113.62 110.66 2dmc n SER 114 Ca -0.02 1.04 -0.26 0.00 -0.26 0.00 0.00 58.87 59.37 2dmc n SER 114 Cb 0.52 -1.53 -0.07 0.00 -0.26 0.00 0.00 64.21 62.87 2dmc n SER 114 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2dmc n SER 115 N 4.38 0.21 -0.48 4.04 7.64 -1.26 -5.26 113.62 122.89 2dmc n SER 115 Ca 0.17 -0.99 0.14 0.00 1.01 0.00 0.00 58.87 59.20 2dmc n SER 115 Cb 0.34 -1.23 0.52 0.00 -1.01 0.00 0.00 64.21 62.83 2dmc n SER 115 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64