#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 2.64 -0.92 1.61 0.01 -1.26 -5.08 113.70 110.70 2dmc s SER 2 Ca 0.00 -0.58 -0.13 0.00 1.31 0.00 0.00 55.95 56.55 2dmc s SER 2 Cb 0.00 -0.82 0.23 0.00 0.21 0.00 0.00 66.02 65.64 2dmc s SER 2 CO 0.00 -0.19 0.90 -0.55 0.41 0.00 0.00 173.24 173.80 2dmc s SER 3 N 1.70 6.91 0.00 2.44 0.15 -1.26 -4.76 113.70 118.88 2dmc s SER 3 Ca 0.01 -2.89 0.00 0.00 0.70 0.00 0.00 55.95 53.78 2dmc s SER 3 Cb -0.15 -2.23 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 2dmc s SER 3 CO -0.07 -0.54 0.00 0.61 1.20 0.00 0.00 173.24 174.44 2dmc n GLY 4 N 3.75 1.97 0.06 9.45 0.00 -1.26 -5.10 105.19 114.07 2dmc n GLY 4 Ca 0.18 -0.32 -0.03 0.00 0.00 0.00 0.00 46.02 45.85 2dmc n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2dmc h SER 5 N 0.00 0.00 -3.36 1.61 0.02 -2.06 -3.48 113.55 106.28 2dmc h SER 5 Ca 0.00 0.00 -0.65 0.00 -0.84 0.00 0.00 61.79 60.30 2dmc h SER 5 Cb 0.00 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 62.42 2dmc h SER 5 CO 0.00 0.62 -0.67 -0.44 -1.14 0.00 0.00 176.83 175.20 2dmc s SER 6 N -5.47 4.99 0.19 3.07 0.01 -1.26 -5.13 113.70 110.09 2dmc s SER 6 Ca -0.10 -0.18 0.10 0.00 1.31 0.00 0.00 55.95 57.08 2dmc s SER 6 Cb 0.01 -1.18 -0.04 0.00 0.21 0.00 0.00 66.02 65.02 2dmc s SER 6 CO 0.14 0.18 -0.18 -0.83 0.41 0.00 0.00 173.24 172.96 2dmc s GLY 7 N -2.28 1.72 0.54 3.44 0.00 -1.26 -5.12 107.32 104.36 2dmc s GLY 7 Ca 0.25 -1.56 -0.21 0.00 0.00 0.00 0.00 44.72 43.20 2dmc s GLY 7 CO 0.18 -1.59 1.24 -0.26 0.00 0.00 0.00 173.10 172.67 2dmc s ILE 8 N -1.67 2.60 -0.53 0.90 -4.36 -1.26 -4.91 121.20 111.97 2dmc s ILE 8 Ca 0.22 0.42 -0.27 0.00 -0.26 0.00 0.00 60.65 60.76 2dmc s ILE 8 Cb -0.08 -3.20 -0.02 0.00 1.25 0.00 0.00 42.46 40.41 2dmc s ILE 8 CO 0.12 -0.04 1.82 -2.16 0.24 0.00 0.00 174.94 174.92 2dmc s PRO 9 N -3.01 2.86 -0.42 0.37 0.04 -1.26 -4.86 135.00 128.73 2dmc s PRO 9 Ca 0.71 0.83 0.10 0.00 0.04 0.00 0.00 61.00 62.68 2dmc s PRO 9 Cb -0.33 -4.32 0.41 0.00 0.04 0.00 0.00 34.50 30.30 2dmc s PRO 9 CO 0.38 -2.44 0.99 0.41 0.04 0.00 0.00 177.00 176.37 2dmc n GLY 10 N 5.59 4.23 0.46 0.56 0.00 -1.26 -4.93 105.19 109.85 2dmc n GLY 10 Ca 0.21 -2.17 -0.15 0.00 0.00 0.00 0.00 46.02 43.91 2dmc n GLY 10 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2dmc h SER 11 N 2.83 -1.76 -3.58 1.61 0.02 -2.03 -3.42 113.55 107.22 2dmc h SER 11 Ca 0.12 0.21 -0.42 0.00 -0.84 0.00 0.00 61.79 60.86 2dmc h SER 11 Cb 0.94 0.70 0.19 0.00 0.14 0.00 0.00 62.40 64.36 2dmc h SER 11 CO 0.69 -0.46 0.15 -2.16 -1.14 0.00 0.00 176.83 173.90 2dmc s PRO 12 N -5.68 -0.90 -0.00 3.45 0.04 -1.26 -5.09 135.00 125.56 2dmc s PRO 12 Ca -0.15 0.04 0.00 0.00 0.04 0.00 0.00 61.00 60.93 2dmc s PRO 12 Cb 0.07 -1.62 0.00 0.00 0.04 0.00 0.00 34.50 32.99 2dmc s PRO 12 CO 0.61 -3.52 -0.00 -0.06 0.04 0.00 0.00 177.00 174.07 2dmc s PHE 13 N -3.00 0.07 -0.12 0.56 0.40 -1.26 -5.15 117.98 109.48 2dmc s PHE 13 Ca 0.70 0.01 0.01 0.00 -0.60 0.00 0.00 56.93 57.05 2dmc s PHE 13 Cb -0.11 -0.08 -0.01 0.00 0.51 0.00 0.00 43.02 43.32 2dmc s PHE 13 CO 0.56 -0.02 -0.17 0.99 0.70 0.00 0.00 175.22 177.29 2dmc s THR 14 N 0.16 2.74 -0.18 0.64 2.01 -1.26 -5.10 115.64 114.65 2dmc s THR 14 Ca -0.01 -0.78 -0.04 0.00 0.31 0.00 0.00 61.69 61.17 2dmc s THR 14 Cb -0.02 -2.12 0.09 0.00 0.01 0.00 0.00 72.50 70.46 2dmc s THR 14 CO -0.00 0.54 0.30 0.00 -0.69 0.00 0.00 174.62 174.76 2dmc s ALA 15 N 0.33 -0.68 -0.13 7.40 0.00 -1.26 -3.39 121.76 124.02 2dmc s ALA 15 Ca -0.13 0.82 -0.02 0.00 0.00 0.00 0.00 51.96 52.63 2dmc s ALA 15 Cb -0.16 -1.29 0.04 0.00 0.00 0.00 0.00 23.12 21.70 2dmc s ALA 15 CO 0.07 -0.95 -0.00 0.15 0.00 0.00 0.00 175.76 175.02 2dmc s LYS 16 N 2.45 0.85 0.42 0.00 -0.14 -1.26 -5.09 119.74 116.97 2dmc s LYS 16 Ca 0.05 -0.19 -0.26 0.00 -1.36 0.00 0.00 55.97 54.21 2dmc s LYS 16 Cb -0.14 -1.56 -0.10 0.00 -1.68 0.00 0.00 37.83 34.35 2dmc s LYS 16 CO -0.12 -0.43 1.30 0.44 -0.76 0.00 0.00 175.35 175.78 2dmc n ILE 17 N 5.05 2.56 -3.64 2.17 -5.35 -1.26 -4.87 119.36 114.02 2dmc n ILE 17 Ca -0.09 -0.50 -0.07 0.00 -0.27 0.00 0.00 62.75 61.82 2dmc n ILE 17 Cb 0.49 -1.61 -0.07 0.00 -1.74 0.00 0.00 39.64 36.71 2dmc n ILE 17 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 2dmc s THR 18 N -1.19 0.00 -0.29 7.28 -1.32 -1.26 -5.13 115.64 113.73 2dmc s THR 18 Ca 0.61 0.00 -0.19 0.00 -1.21 0.00 0.00 61.69 60.90 2dmc s THR 18 Cb -0.50 -1.00 0.18 0.00 -1.51 0.00 0.00 72.50 69.67 2dmc s THR 18 CO 0.58 0.00 1.20 1.51 -2.21 0.00 0.00 174.62 175.70 2dmc s ASP 19 N 0.03 -0.22 0.11 8.08 -4.77 -1.26 -4.85 116.67 113.79 2dmc s ASP 19 Ca 0.04 0.38 0.10 0.00 -3.30 0.00 0.00 52.55 49.77 2dmc s ASP 19 Cb -0.05 0.85 -0.04 0.00 -1.09 0.00 0.00 42.92 42.59 2dmc s ASP 19 CO -0.09 -0.06 -0.25 -1.81 0.70 0.00 0.00 175.17 173.66 2dmc s ASP 20 N 0.79 3.39 -0.49 2.11 1.11 -1.26 -5.00 116.67 117.33 2dmc s ASP 20 Ca -0.04 -0.68 -0.03 0.00 0.18 0.00 0.00 52.55 51.98 2dmc s ASP 20 Cb -0.04 -0.29 0.15 0.00 1.07 0.00 0.00 42.92 43.82 2dmc s ASP 20 CO -0.12 0.20 2.48 -1.20 1.18 0.00 0.00 175.17 177.71 2dmc n SER 21 N 1.06 6.69 -4.67 0.27 7.64 -1.26 -4.74 113.62 118.61 2dmc n SER 21 Ca -0.17 -3.29 -0.25 0.00 1.01 0.00 0.00 58.87 56.16 2dmc n SER 21 Cb 0.53 -1.16 -0.08 0.00 -1.01 0.00 0.00 64.21 62.48 2dmc n SER 21 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2dmc s ARG 22 N -2.17 2.13 0.32 1.43 1.81 -1.26 -5.02 118.95 116.20 2dmc s ARG 22 Ca 0.53 -1.79 0.10 0.00 -1.72 0.00 0.00 55.73 52.85 2dmc s ARG 22 Cb 0.37 -1.94 0.93 0.00 -0.45 0.00 0.00 34.95 33.86 2dmc s ARG 22 CO -0.19 0.06 1.68 0.00 -0.68 0.00 0.00 175.30 176.16 2dmc h ARG 23 N 1.69 0.36 -5.15 3.54 2.47 -2.06 -3.36 114.38 111.86 2dmc h ARG 23 Ca -0.43 -0.02 -0.65 0.00 -1.26 0.00 0.00 59.98 57.62 2dmc h ARG 23 Cb 1.25 -0.08 -0.26 0.00 -1.65 0.00 0.00 29.97 29.23 2dmc h ARG 23 CO 0.69 0.24 -0.72 0.00 0.56 0.00 0.00 179.97 180.73 2dmc s SER 25 N 0.92 6.25 -0.10 0.00 0.01 -1.26 -4.89 113.70 114.63 2dmc s SER 25 Ca -0.01 1.41 0.04 0.00 1.31 0.00 0.00 55.95 58.70 2dmc s SER 25 Cb -0.15 -2.47 0.00 0.00 0.21 0.00 0.00 66.02 63.62 2dmc s SER 25 CO 0.01 -0.85 -0.23 -1.58 0.41 0.00 0.00 173.24 171.00 2dmc s GLN 26 N -5.10 2.94 0.04 12.44 0.74 -1.26 -4.22 119.66 125.23 2dmc s GLN 26 Ca 0.55 -0.84 -0.03 0.00 0.05 0.00 0.00 55.36 55.09 2dmc s GLN 26 Cb -0.11 -2.25 -0.02 0.00 1.10 0.00 0.00 33.01 31.73 2dmc s GLN 26 CO 0.52 0.14 0.03 0.08 -0.55 0.00 0.00 175.29 175.51 2dmc s VAL 27 N 0.44 0.16 -0.03 1.34 1.01 -1.24 -4.31 120.40 117.76 2dmc s VAL 27 Ca -0.17 -1.30 -0.25 0.00 0.00 0.00 0.00 61.98 60.26 2dmc s VAL 27 Cb -0.17 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 2dmc s VAL 27 CO 0.07 -0.72 0.76 -0.54 0.00 0.00 0.00 175.10 174.67 2dmc s LYS 28 N -2.86 4.47 0.04 2.72 -0.14 -1.26 -4.42 119.74 118.30 2dmc s LYS 28 Ca -0.03 1.01 -0.27 0.00 -1.36 0.00 0.00 55.97 55.32 2dmc s LYS 28 Cb 0.00 -3.43 -0.05 0.00 -1.68 0.00 0.00 37.83 32.68 2dmc s LYS 28 CO -0.06 0.10 0.86 -1.17 -0.76 0.00 0.00 175.35 174.32 2dmc s LEU 29 N 0.64 4.43 0.00 3.17 2.96 -1.26 -3.42 118.68 125.20 2dmc s LEU 29 Ca 0.40 1.57 0.00 0.00 -0.22 0.00 0.00 54.13 55.88 2dmc s LEU 29 Cb -0.19 -3.39 0.00 0.00 0.50 0.00 0.00 46.19 43.11 2dmc s LEU 29 CO 0.21 -0.08 0.00 0.61 -1.32 0.00 0.00 176.35 175.76 2dmc n GLY 30 N 2.55 0.58 2.90 7.98 0.00 -0.72 -5.00 105.19 113.49 2dmc n GLY 30 Ca 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.28 2.12 -0.31 1.61 0.01 -1.22 -4.83 113.70 108.79 2dmc s SER 31 Ca 0.00 -0.29 -0.39 0.00 1.31 0.00 0.00 55.95 56.58 2dmc s SER 31 Cb 0.00 -0.82 -0.14 0.00 0.21 0.00 0.00 66.02 65.27 2dmc s SER 31 CO 0.00 -0.12 1.92 0.00 0.41 0.00 0.00 173.24 175.46 2dmc n ALA 32 N 4.89 0.28 -2.46 1.44 0.00 -1.22 -4.65 120.51 118.79 2dmc n ALA 32 Ca -0.13 0.23 -0.26 0.00 0.00 0.00 0.00 53.44 53.28 2dmc n ALA 32 Cb 0.50 -2.32 -0.14 0.00 0.00 0.00 0.00 19.45 17.49 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 4.95 1.82 0.18 0.00 0.00 -1.16 -4.44 121.76 123.10 2dmc s ALA 33 Ca 1.04 -1.07 -0.17 0.00 0.00 0.00 0.00 51.96 51.75 2dmc s ALA 33 Cb -1.03 -0.36 -0.08 0.00 0.00 0.00 0.00 23.12 21.65 2dmc s ALA 33 CO 0.60 0.41 0.63 0.16 0.00 0.00 0.00 175.76 177.57 2dmc s ASP 34 N -1.14 6.93 -0.22 0.00 1.47 -1.26 -3.66 116.67 118.79 2dmc s ASP 34 Ca 0.08 1.24 0.01 0.00 1.18 0.00 0.00 52.55 55.06 2dmc s ASP 34 Cb -0.09 -2.35 0.05 0.00 -0.34 0.00 0.00 42.92 40.19 2dmc s ASP 34 CO 0.02 0.07 -0.11 -0.36 0.68 0.00 0.00 175.17 175.46 2dmc s PHE 35 N -1.49 2.71 -0.57 2.11 0.40 -0.95 -4.87 117.98 115.32 2dmc s PHE 35 Ca 0.40 -1.83 -0.26 0.00 -0.60 0.00 0.00 56.93 54.64 2dmc s PHE 35 Cb -0.16 -1.76 0.04 0.00 0.51 0.00 0.00 43.02 41.65 2dmc s PHE 35 CO 0.20 -0.80 1.04 -1.17 0.70 0.00 0.00 175.22 175.19 2dmc s LEU 36 N 1.29 3.85 0.05 -0.37 2.96 -1.26 -2.87 118.68 122.33 2dmc s LEU 36 Ca -0.03 -0.20 0.08 0.00 -0.22 0.00 0.00 54.13 53.76 2dmc s LEU 36 Cb -0.17 -2.94 -0.03 0.00 0.50 0.00 0.00 46.19 43.55 2dmc s LEU 36 CO -0.08 -1.33 -0.24 -1.48 -1.32 0.00 0.00 176.35 171.90 2dmc s LEU 37 N 4.35 2.17 -0.67 -0.68 2.34 -1.10 -5.05 118.68 120.04 2dmc s LEU 37 Ca 0.35 -0.56 -0.21 0.00 0.06 0.00 0.00 54.13 53.77 2dmc s LEU 37 Cb -0.11 -1.15 0.09 0.00 -0.56 0.00 0.00 46.19 44.47 2dmc s LEU 37 CO 0.21 0.21 0.89 1.51 -1.06 0.00 0.00 176.35 178.11 2dmc s ASP 38 N -1.23 6.24 -0.14 1.48 1.47 -1.26 -4.26 116.67 118.97 2dmc s ASP 38 Ca 0.10 -1.30 0.00 0.00 1.18 0.00 0.00 52.55 52.53 2dmc s ASP 38 Cb -0.09 -2.37 0.02 0.00 -0.34 0.00 0.00 42.92 40.14 2dmc s ASP 38 CO 0.02 -1.27 -0.13 0.27 0.68 0.00 0.00 175.17 174.74 2dmc s ILE 39 N 3.35 1.45 -0.09 2.11 -4.36 -1.26 -5.01 121.20 117.39 2dmc s ILE 39 Ca 0.19 -0.56 -0.02 0.00 -0.26 0.00 0.00 60.65 60.00 2dmc s ILE 39 Cb -0.18 -1.38 -0.03 0.00 1.25 0.00 0.00 42.46 42.12 2dmc s ILE 39 CO 0.06 0.44 2.46 -0.24 0.24 0.00 0.00 174.94 177.90 2dmc n SER 40 N 4.76 5.60 -3.85 4.36 2.88 -1.26 -4.75 113.62 121.35 2dmc n SER 40 Ca -0.16 -2.60 -0.27 0.00 -1.33 0.00 0.00 58.87 54.51 2dmc n SER 40 Cb 0.50 -1.20 -0.17 0.00 -0.75 0.00 0.00 64.21 62.60 2dmc n SER 40 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2dmc s GLU 41 N -0.19 1.18 0.38 -1.46 8.01 -1.26 -5.10 118.70 120.27 2dmc s GLU 41 Ca 0.26 -0.34 0.03 0.00 0.01 0.00 0.00 54.97 54.93 2dmc s GLU 41 Cb 0.15 -1.76 0.07 0.00 -4.31 0.00 0.00 34.13 28.28 2dmc s GLU 41 CO -0.02 -0.41 0.53 0.25 0.01 0.00 0.00 175.26 175.62 2dmc n THR 42 N 4.96 0.00 -2.70 3.63 -2.24 -1.26 -4.75 114.28 111.92 2dmc n THR 42 Ca -0.11 -1.04 -0.08 0.00 -2.27 0.00 0.00 64.05 60.55 2dmc n THR 42 Cb 0.48 -0.90 0.04 0.00 -2.10 0.00 0.00 70.33 67.86 2dmc n THR 42 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2dmc n ASP 43 N -2.77 -2.14 -0.30 3.42 8.00 -1.26 -4.80 116.55 116.70 2dmc n ASP 43 Ca 0.10 -0.29 0.19 0.00 0.71 0.00 0.00 54.79 55.49 2dmc n ASP 43 Cb 0.35 -2.71 0.35 0.00 -0.02 0.00 0.00 41.12 39.10 2dmc n ASP 43 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2dmc n LEU 44 N -2.50 0.04 0.03 0.64 4.32 -1.26 0.91 117.00 119.18 2dmc n LEU 44 Ca -0.13 1.49 -0.11 0.00 -0.02 0.00 0.00 56.01 57.25 2dmc n LEU 44 Cb 0.58 -0.61 -0.05 0.00 -1.62 0.00 0.00 43.42 41.72 2dmc n LEU 44 CO 0.29 -1.57 0.79 -1.28 -1.22 0.00 0.00 177.39 174.41 2dmc h SER 45 N 0.00 -0.31 -0.11 -1.43 0.87 -1.91 -0.83 113.55 109.82 2dmc h SER 45 Ca 0.61 0.05 0.03 0.00 -1.23 0.00 0.00 61.79 61.26 2dmc h SER 45 Cb 1.42 0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 63.52 2dmc h SER 45 CO -0.78 -0.15 0.17 0.28 -0.53 0.00 0.00 176.83 175.82 2dmc h SER 46 N -0.16 0.00 -2.71 6.23 0.02 0.20 -3.41 113.55 113.71 2dmc h SER 46 Ca 0.05 0.00 -0.47 0.00 -0.84 0.00 0.00 61.79 60.53 2dmc h SER 46 Cb 0.23 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.78 2dmc h SER 46 CO -0.14 0.00 -0.20 -0.76 -1.14 0.00 0.00 176.83 174.59 2dmc s LEU 47 N -7.14 3.99 0.14 5.07 1.43 -0.32 -3.79 118.68 118.07 2dmc s LEU 47 Ca -0.05 0.38 0.05 0.00 -1.03 0.00 0.00 54.13 53.48 2dmc s LEU 47 Cb 0.14 -3.24 -0.04 0.00 0.03 0.00 0.00 46.19 43.08 2dmc s LEU 47 CO 0.49 -0.33 0.10 -0.89 0.23 0.00 0.00 176.35 175.95 2dmc s THR 48 N -2.32 4.36 -0.10 5.49 2.01 0.91 -4.92 115.64 121.07 2dmc s THR 48 Ca 0.41 -1.06 0.01 0.00 0.31 0.00 0.00 61.69 61.35 2dmc s THR 48 Cb -0.10 -3.19 0.02 0.00 0.01 0.00 0.00 72.50 69.25 2dmc s THR 48 CO 0.36 -0.05 -0.10 0.00 -0.69 0.00 0.00 174.62 174.13 2dmc s ALA 49 N -1.65 1.40 -0.13 7.40 0.00 -1.26 -3.84 121.76 123.68 2dmc s ALA 49 Ca 0.30 -0.56 -0.12 0.00 0.00 0.00 0.00 51.96 51.58 2dmc s ALA 49 Cb -0.10 -0.81 0.03 0.00 0.00 0.00 0.00 23.12 22.24 2dmc s ALA 49 CO 0.22 -0.22 0.35 0.45 0.00 0.00 0.00 175.76 176.56 2dmc s SER 50 N 1.29 -0.36 -0.04 0.00 0.15 -1.04 -4.88 113.70 108.82 2dmc s SER 50 Ca -0.02 0.70 -0.02 0.00 0.70 0.00 0.00 55.95 57.30 2dmc s SER 50 Cb -0.14 0.70 0.02 0.00 -1.71 0.00 0.00 66.02 64.90 2dmc s SER 50 CO -0.04 -0.12 0.09 -0.63 1.20 0.00 0.00 173.24 173.74 2dmc s ILE 51 N 0.21 -0.03 -0.06 6.45 1.01 -1.26 -0.23 121.20 127.30 2dmc s ILE 51 Ca -0.00 0.09 -0.01 0.00 0.00 0.00 0.00 60.65 60.73 2dmc s ILE 51 Cb -0.03 -0.15 0.03 0.00 0.01 0.00 0.00 42.46 42.32 2dmc s ILE 51 CO 0.00 0.04 0.01 -0.75 0.00 0.00 0.00 174.94 174.24 2dmc s LYS 52 N 0.58 0.49 1.08 2.79 2.47 -1.24 -1.97 119.74 123.94 2dmc s LYS 52 Ca -0.04 0.13 -0.12 0.00 -1.56 0.00 0.00 55.97 54.38 2dmc s LYS 52 Cb -0.06 -0.85 0.23 0.00 -1.46 0.00 0.00 37.83 35.70 2dmc s LYS 52 CO -0.02 -0.28 1.06 0.00 0.16 0.00 0.00 175.35 176.27 2dmc s ALA 53 N 1.84 0.21 -0.73 3.13 0.00 -0.62 -4.00 121.76 121.58 2dmc s ALA 53 Ca 0.02 -0.01 0.19 0.00 0.00 0.00 0.00 51.96 52.17 2dmc s ALA 53 Cb -0.12 -3.27 0.80 0.00 0.00 0.00 0.00 23.12 20.53 2dmc s ALA 53 CO -0.04 -3.41 1.59 -0.35 0.00 0.00 0.00 175.76 173.54 2dmc n PRO 54 N -4.63 0.10 -0.34 0.00 -0.04 -1.26 -2.02 135.00 126.82 2dmc n PRO 54 Ca 0.05 0.34 0.11 0.00 -0.04 0.00 0.00 63.50 63.96 2dmc n PRO 54 Cb 0.54 -1.69 0.29 0.00 -0.04 0.00 0.00 33.50 32.60 2dmc n PRO 54 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dmc n SER 55 N -1.88 3.57 -0.35 3.54 3.41 -1.26 -4.91 113.62 115.73 2dmc n SER 55 Ca 0.03 -2.00 -0.04 0.00 -0.26 0.00 0.00 58.87 56.60 2dmc n SER 55 Cb 0.20 -0.44 -0.01 0.00 -0.26 0.00 0.00 64.21 63.69 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 1.56 0.54 3.34 5.00 0.00 -0.86 -5.01 105.19 109.77 2dmc n GLY 56 Ca 0.22 -0.84 -0.40 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.91 2.76 0.68 1.61 0.52 -1.26 -4.90 118.95 115.46 2dmc s ARG 57 Ca 0.00 -1.19 -0.17 0.00 -0.52 0.00 0.00 55.73 53.86 2dmc s ARG 57 Cb 0.00 -3.74 0.01 0.00 0.52 0.00 0.00 34.95 31.74 2dmc s ARG 57 CO 0.00 -0.77 1.23 0.34 0.02 0.00 0.00 175.30 176.12 2dmc s ASP 58 N 1.71 4.53 -0.00 0.23 2.15 -1.26 -1.60 116.67 122.43 2dmc s ASP 58 Ca 0.02 2.43 0.04 0.00 0.43 0.00 0.00 52.55 55.46 2dmc s ASP 58 Cb -0.20 -2.60 -0.01 0.00 -0.30 0.00 0.00 42.92 39.81 2dmc s ASP 58 CO 0.05 -2.04 -0.11 -1.61 -0.17 0.00 0.00 175.17 171.29 2dmc s GLU 59 N -3.65 0.89 -0.72 4.34 8.01 -0.83 -4.87 118.70 121.87 2dmc s GLU 59 Ca 0.77 -0.46 -0.26 0.00 0.01 0.00 0.00 54.97 55.04 2dmc s GLU 59 Cb -0.31 -0.86 -0.03 0.00 -4.31 0.00 0.00 34.13 28.61 2dmc s GLU 59 CO 0.41 0.23 1.89 -1.25 0.01 0.00 0.00 175.26 176.56 2dmc s PRO 60 N -0.42 2.60 0.02 0.39 0.04 -1.26 -4.35 135.00 132.02 2dmc s PRO 60 Ca 0.04 0.27 0.03 0.00 0.04 0.00 0.00 61.00 61.38 2dmc s PRO 60 Cb -0.05 -4.64 -0.04 0.00 0.04 0.00 0.00 34.50 29.82 2dmc s PRO 60 CO -0.00 -2.97 -0.02 0.00 0.04 0.00 0.00 177.00 174.05 2dmc s LEU 62 N -1.67 0.28 0.06 0.00 1.98 0.41 -4.83 118.68 114.91 2dmc s LEU 62 Ca 0.20 0.24 -0.30 0.00 -2.89 0.00 0.00 54.13 51.38 2dmc s LEU 62 Cb -0.11 0.17 -0.05 0.00 0.66 0.00 0.00 46.19 46.86 2dmc s LEU 62 CO 0.11 -0.21 1.06 -0.76 -1.89 0.00 0.00 176.35 174.66 2dmc s LEU 63 N 1.87 4.41 0.01 -0.68 1.43 -1.26 -1.04 118.68 123.43 2dmc s LEU 63 Ca -0.01 1.86 -0.08 0.00 -1.03 0.00 0.00 54.13 54.87 2dmc s LEU 63 Cb -0.12 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.52 2dmc s LEU 63 CO -0.05 -0.29 0.14 -1.59 0.23 0.00 0.00 176.35 174.79 2dmc s LYS 64 N 0.66 0.54 0.41 1.70 -2.85 -1.03 -4.93 119.74 114.24 2dmc s LYS 64 Ca 0.53 -0.49 -0.23 0.00 -1.00 0.00 0.00 55.97 54.78 2dmc s LYS 64 Cb -0.25 0.22 -0.10 0.00 -2.06 0.00 0.00 37.83 35.64 2dmc s LYS 64 CO 0.30 -0.13 0.98 0.50 0.10 0.00 0.00 175.35 177.09 2dmc s ARG 65 N -1.76 4.25 0.20 1.78 6.06 -1.26 -2.53 118.95 125.68 2dmc s ARG 65 Ca -0.12 1.27 0.11 0.00 -2.50 0.00 0.00 55.73 54.49 2dmc s ARG 65 Cb -0.06 -2.38 -0.04 0.00 0.06 0.00 0.00 34.95 32.53 2dmc s ARG 65 CO -0.00 -0.03 -0.23 -0.51 -2.50 0.00 0.00 175.30 172.03 2dmc s LEU 66 N -2.86 2.47 1.01 -0.88 1.43 0.07 -4.81 118.68 115.12 2dmc s LEU 66 Ca 0.59 -0.88 -0.12 0.00 -1.03 0.00 0.00 54.13 52.69 2dmc s LEU 66 Cb -0.14 -1.17 0.20 0.00 0.03 0.00 0.00 46.19 45.10 2dmc s LEU 66 CO 0.19 0.11 1.09 -2.16 0.23 0.00 0.00 176.35 175.81 2dmc s PRO 67 N -2.79 0.33 -0.98 1.29 0.04 -1.26 -2.68 135.00 128.94 2dmc s PRO 67 Ca 0.22 0.49 -0.00 0.00 0.04 0.00 0.00 61.00 61.75 2dmc s PRO 67 Cb -0.08 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.74 2dmc s PRO 67 CO 0.11 -2.79 0.01 -1.71 0.04 0.00 0.00 177.00 172.65 2dmc n ASN 68 N -4.21 -3.72 -3.54 6.66 2.85 -1.26 -3.12 115.26 108.91 2dmc n ASN 68 Ca 0.05 -0.01 -0.19 0.00 -0.11 0.00 0.00 54.58 54.32 2dmc n ASN 68 Cb 0.57 -2.94 0.07 0.00 1.24 0.00 0.00 39.78 38.72 2dmc n ASN 68 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 2dmc n ASN 69 N -0.21 -1.85 -4.02 1.20 2.85 -1.26 -5.01 115.26 106.97 2dmc n ASN 69 Ca -0.14 -0.69 -0.17 0.00 -0.11 0.00 0.00 54.58 53.47 2dmc n ASN 69 Cb 0.60 -4.72 -0.09 0.00 1.24 0.00 0.00 39.78 36.81 2dmc n ASN 69 CO 0.00 0.00 0.00 -1.00 -2.11 0.00 0.00 177.26 174.15 2dmc s HIS 70 N -3.47 1.51 0.03 1.20 3.76 -1.09 -5.07 115.29 112.15 2dmc s HIS 70 Ca 0.02 -1.38 -0.02 0.00 -0.15 0.00 0.00 55.06 53.54 2dmc s HIS 70 Cb -0.01 -0.78 -0.02 0.00 1.11 0.00 0.00 32.58 32.88 2dmc s HIS 70 CO 0.76 -0.56 0.01 0.42 -0.85 0.00 0.00 174.74 174.52 2dmc s ILE 71 N -3.74 0.13 0.08 0.60 1.01 -1.26 -0.75 121.20 117.28 2dmc s ILE 71 Ca 0.37 -1.09 -0.24 0.00 0.00 0.00 0.00 60.65 59.69 2dmc s ILE 71 Cb 0.06 -0.63 0.06 0.00 0.01 0.00 0.00 42.46 41.96 2dmc s ILE 71 CO 0.17 -0.60 0.58 -0.83 0.00 0.00 0.00 174.94 174.26 2dmc s GLY 72 N -1.85 -0.54 0.02 6.18 0.00 -1.05 -2.72 107.32 107.36 2dmc s GLY 72 Ca -0.10 0.67 0.01 0.00 0.00 0.00 0.00 44.72 45.30 2dmc s GLY 72 CO -0.03 0.34 0.07 -1.50 0.00 0.00 0.00 173.10 171.98 2dmc s ILE 73 N -2.85 4.57 -0.24 0.90 2.07 -1.14 -2.46 121.20 122.05 2dmc s ILE 73 Ca -0.03 -0.54 0.00 0.00 -1.41 0.00 0.00 60.65 58.67 2dmc s ILE 73 Cb -0.00 -3.11 0.03 0.00 0.13 0.00 0.00 42.46 39.51 2dmc s ILE 73 CO -0.05 0.30 -0.10 -0.55 -1.91 0.00 0.00 174.94 172.63 2dmc s SER 74 N -1.87 4.15 0.13 4.50 0.15 -0.20 -2.25 113.70 118.31 2dmc s SER 74 Ca 0.24 -0.99 -0.10 0.00 0.70 0.00 0.00 55.95 55.80 2dmc s SER 74 Cb -0.12 -1.60 0.00 0.00 -1.71 0.00 0.00 66.02 62.59 2dmc s SER 74 CO 0.15 -0.13 0.27 0.72 1.20 0.00 0.00 173.24 175.46 2dmc s PHE 75 N 1.26 0.18 -0.39 3.44 -0.71 -1.24 -0.44 117.98 120.08 2dmc s PHE 75 Ca -0.02 -0.57 -0.06 0.00 -1.04 0.00 0.00 56.93 55.24 2dmc s PHE 75 Cb -0.17 0.01 0.07 0.00 -1.21 0.00 0.00 43.02 41.73 2dmc s PHE 75 CO -0.06 -0.65 0.19 0.42 -1.34 0.00 0.00 175.22 173.78 2dmc s ILE 76 N -3.89 3.80 -0.21 -4.49 1.01 -1.21 -3.00 121.20 113.21 2dmc s ILE 76 Ca 0.10 -1.49 -0.29 0.00 0.00 0.00 0.00 60.65 58.97 2dmc s ILE 76 Cb 0.04 -3.34 -0.03 0.00 0.01 0.00 0.00 42.46 39.14 2dmc s ILE 76 CO -0.07 -0.44 1.60 -2.16 0.00 0.00 0.00 174.94 173.88 2dmc s PRO 77 N 1.34 3.83 0.35 2.79 0.04 -1.26 -4.54 135.00 137.55 2dmc s PRO 77 Ca 0.02 1.69 0.25 0.00 0.04 0.00 0.00 61.00 62.99 2dmc s PRO 77 Cb -0.22 -4.02 0.58 0.00 0.04 0.00 0.00 34.50 30.88 2dmc s PRO 77 CO 0.00 -1.25 1.69 0.00 0.04 0.00 0.00 177.00 177.49 2dmc h ARG 78 N 10.55 0.00 0.00 4.56 2.47 -1.92 -1.91 114.38 128.13 2dmc h ARG 78 Ca -0.34 0.00 -0.34 0.00 -1.26 0.00 0.00 59.98 58.05 2dmc h ARG 78 Cb 1.15 0.00 -0.09 0.00 -1.65 0.00 0.00 29.97 29.38 2dmc h ARG 78 CO 1.00 0.00 -0.32 0.39 0.56 0.00 0.00 179.97 181.60 2dmc n GLU 79 N -2.74 0.33 -4.62 0.04 -0.58 -1.26 -4.87 120.64 106.95 2dmc n GLU 79 Ca 0.04 -2.44 -0.26 0.00 -0.42 0.00 0.00 57.16 54.08 2dmc n GLU 79 Cb 0.48 2.04 -0.14 0.00 -0.57 0.00 0.00 31.44 33.25 2dmc n GLU 79 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 2dmc s VAL 80 N -2.97 1.76 -1.16 2.62 -7.23 -1.26 -4.88 120.40 107.28 2dmc s VAL 80 Ca 0.29 -1.30 0.00 0.00 -1.81 0.00 0.00 61.98 59.16 2dmc s VAL 80 Cb 0.01 -1.54 0.00 0.00 0.56 0.00 0.00 36.38 35.41 2dmc s VAL 80 CO 0.20 0.18 0.00 0.61 -0.31 0.00 0.00 175.10 175.79 2dmc n GLY 81 N 1.69 0.33 3.33 2.32 0.00 0.55 -4.93 105.19 108.47 2dmc n GLY 81 Ca -0.17 -1.19 -0.45 0.00 0.00 0.00 0.00 46.02 44.20 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 -2.00 2.96 0.04 1.61 2.12 -1.26 -0.52 118.70 121.64 2dmc s GLU 82 Ca 0.00 -1.59 -0.15 0.00 0.36 0.00 0.00 54.97 53.59 2dmc s GLU 82 Cb 0.00 -4.22 -0.06 0.00 0.26 0.00 0.00 34.13 30.11 2dmc s GLU 82 CO 0.00 -1.22 0.45 -1.01 -0.54 0.00 0.00 175.26 172.93 2dmc s HIS 83 N 1.60 3.71 -0.26 5.30 3.76 0.08 -4.49 115.29 124.98 2dmc s HIS 83 Ca 0.03 1.02 -0.03 0.00 -0.15 0.00 0.00 55.06 55.94 2dmc s HIS 83 Cb -0.28 -2.31 0.03 0.00 1.11 0.00 0.00 32.58 31.12 2dmc s HIS 83 CO 0.04 0.60 -0.03 -0.51 -0.85 0.00 0.00 174.74 173.99 2dmc s LEU 84 N -1.28 3.40 -0.37 0.89 1.43 -1.26 -0.95 118.68 120.54 2dmc s LEU 84 Ca 0.27 -0.89 -0.18 0.00 -1.03 0.00 0.00 54.13 52.30 2dmc s LEU 84 Cb -0.17 -1.71 0.00 0.00 0.03 0.00 0.00 46.19 44.35 2dmc s LEU 84 CO 0.15 -0.16 0.51 -0.69 0.23 0.00 0.00 176.35 176.40 2dmc s VAL 85 N 1.35 5.01 -0.40 -1.59 1.01 -0.05 -3.59 120.40 122.14 2dmc s VAL 85 Ca -0.00 0.19 -0.26 0.00 0.00 0.00 0.00 61.98 61.91 2dmc s VAL 85 Cb -0.17 -4.00 0.02 0.00 0.00 0.00 0.00 36.38 32.23 2dmc s VAL 85 CO -0.03 -0.29 0.96 -0.44 0.00 0.00 0.00 175.10 175.30 2dmc s SER 86 N 1.80 6.64 -0.19 3.32 0.01 0.69 0.12 113.70 126.09 2dmc s SER 86 Ca 0.18 0.48 0.01 0.00 1.31 0.00 0.00 55.95 57.93 2dmc s SER 86 Cb -0.16 -2.47 0.03 0.00 0.21 0.00 0.00 66.02 63.63 2dmc s SER 86 CO 0.14 -0.95 -0.15 -0.63 0.41 0.00 0.00 173.24 172.06 2dmc s ILE 87 N 3.66 1.87 0.28 1.44 -1.09 -1.26 -2.51 121.20 123.59 2dmc s ILE 87 Ca 0.39 -0.97 0.02 0.00 -2.23 0.00 0.00 60.65 57.86 2dmc s ILE 87 Cb -0.11 -1.79 -0.04 0.00 -1.58 0.00 0.00 42.46 38.94 2dmc s ILE 87 CO 0.22 0.37 0.14 -0.54 -1.23 0.00 0.00 174.94 173.89 2dmc s LYS 88 N 1.33 1.49 -0.24 2.79 1.02 -1.25 -1.30 119.74 123.58 2dmc s LYS 88 Ca 0.02 -1.83 0.00 0.00 0.02 0.00 0.00 55.97 54.18 2dmc s LYS 88 Cb -0.15 -0.10 0.07 0.00 -0.52 0.00 0.00 37.83 37.13 2dmc s LYS 88 CO -0.10 -0.39 -0.02 0.21 -0.92 0.00 0.00 175.35 174.12 2dmc s LYS 89 N -3.93 1.40 -1.91 1.68 2.20 0.92 -0.06 119.74 120.04 2dmc s LYS 89 Ca 0.37 -0.98 0.00 0.00 -0.36 0.00 0.00 55.97 54.99 2dmc s LYS 89 Cb 0.06 -2.51 0.00 0.00 -1.51 0.00 0.00 37.83 33.87 2dmc s LYS 89 CO 0.16 -0.67 0.00 0.09 -0.36 0.00 0.00 175.35 174.57 2dmc n ASN 90 N 4.71 -5.79 0.00 1.43 3.02 -1.25 -1.55 115.26 115.83 2dmc n ASN 90 Ca -0.10 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.60 2dmc n ASN 90 Cb 0.44 -4.89 0.00 0.00 -0.61 0.00 0.00 39.78 34.72 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 -0.84 0.88 2.79 7.41 0.00 -1.26 -5.06 105.19 109.11 2dmc n GLY 91 Ca -0.24 -0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.15 3.91 0.46 1.61 0.01 -0.60 -5.09 114.94 113.09 2dmc s ASN 92 Ca 0.00 -1.50 -0.15 0.00 -0.71 0.00 0.00 52.86 50.50 2dmc s ASN 92 Cb 0.00 -0.94 -0.12 0.00 0.41 0.00 0.00 41.25 40.60 2dmc s ASN 92 CO 0.00 -0.37 -0.17 1.41 -1.51 0.00 0.00 177.10 176.46 2dmc n HIS 93 N 4.80 -2.60 -4.19 2.20 8.25 -1.26 -0.05 115.22 122.36 2dmc n HIS 93 Ca -0.04 0.33 -0.29 0.00 -0.26 0.00 0.00 57.72 57.46 2dmc n HIS 93 Cb 0.43 -1.36 -0.02 0.00 1.12 0.00 0.00 29.99 30.16 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 -1.33 0.00 -2.11 1.59 0.24 -0.42 -4.58 118.33 111.71 2dmc n VAL 94 Ca 0.06 -2.28 -0.36 0.00 -2.04 0.00 0.00 64.34 59.71 2dmc n VAL 94 Cb 0.39 0.15 0.02 0.00 -1.47 0.00 0.00 33.84 32.94 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 -2.83 2.62 -1.48 2.33 0.00 -1.26 -3.04 121.76 118.11 2dmc s ALA 95 Ca 0.21 0.95 -0.06 0.00 0.00 0.00 0.00 51.96 53.05 2dmc s ALA 95 Cb -0.02 -3.42 0.03 0.00 0.00 0.00 0.00 23.12 19.71 2dmc s ALA 95 CO 0.13 -1.00 0.61 0.09 0.00 0.00 0.00 175.76 175.59 2dmc n ASN 96 N -1.43 -5.46 -4.00 0.00 3.02 -1.26 -4.98 115.26 101.16 2dmc n ASN 96 Ca 0.13 -0.33 -0.16 0.00 -0.03 0.00 0.00 54.58 54.19 2dmc n ASN 96 Cb 0.50 -4.43 -0.14 0.00 -0.61 0.00 0.00 39.78 35.10 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 -2.74 0.75 0.59 6.41 0.15 -1.17 -3.41 113.70 114.28 2dmc s SER 97 Ca 0.35 -0.22 -0.18 0.00 0.70 0.00 0.00 55.95 56.60 2dmc s SER 97 Cb -0.16 -0.05 -0.04 0.00 -1.71 0.00 0.00 66.02 64.06 2dmc s SER 97 CO 0.43 0.00 1.12 -2.16 1.20 0.00 0.00 173.24 173.84 2dmc s PRO 98 N -0.51 3.14 -0.23 5.44 0.04 -1.26 -4.81 135.00 136.81 2dmc s PRO 98 Ca -0.01 1.53 -0.25 0.00 0.04 0.00 0.00 61.00 62.30 2dmc s PRO 98 Cb -0.04 -1.98 -0.00 0.00 0.04 0.00 0.00 34.50 32.51 2dmc s PRO 98 CO -0.00 -1.00 0.87 0.08 0.04 0.00 0.00 177.00 176.98 2dmc s VAL 99 N -1.99 4.82 0.00 -0.36 1.01 0.12 -4.76 120.40 119.24 2dmc s VAL 99 Ca 0.70 1.66 -0.28 0.00 0.00 0.00 0.00 61.98 64.07 2dmc s VAL 99 Cb -0.23 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 2dmc s VAL 99 CO 0.33 -0.08 0.88 -0.94 0.00 0.00 0.00 175.10 175.29 2dmc s SER 100 N 1.29 7.27 0.02 3.32 1.04 -1.26 -0.87 113.70 124.51 2dmc s SER 100 Ca 0.37 1.53 0.05 0.00 0.48 0.00 0.00 55.95 58.38 2dmc s SER 100 Cb -0.15 -2.52 -0.02 0.00 0.10 0.00 0.00 66.02 63.43 2dmc s SER 100 CO 0.08 -0.16 -0.14 -0.63 0.98 0.00 0.00 173.24 173.36 2dmc s ILE 101 N 0.68 1.13 -0.27 -1.02 1.01 -0.13 -4.99 121.20 117.62 2dmc s ILE 101 Ca 0.46 -0.87 -0.07 0.00 0.00 0.00 0.00 60.65 60.17 2dmc s ILE 101 Cb -0.20 -1.00 -0.01 0.00 0.01 0.00 0.00 42.46 41.26 2dmc s ILE 101 CO 0.25 0.12 0.06 -0.32 0.00 0.00 0.00 174.94 175.05 2dmc s MET 102 N -0.86 3.35 -0.12 2.79 -2.45 -1.26 -0.74 119.30 120.00 2dmc s MET 102 Ca 0.03 -0.68 -0.02 0.00 -1.25 0.00 0.00 55.69 53.77 2dmc s MET 102 Cb -0.07 -3.30 -0.03 0.00 1.25 0.00 0.00 34.83 32.69 2dmc s MET 102 CO 0.01 -0.31 -0.05 0.08 1.05 0.00 0.00 175.02 175.80 2dmc s VAL 103 N 1.54 3.82 -0.09 10.11 1.01 0.32 -4.13 120.40 132.98 2dmc s VAL 103 Ca 0.05 -0.40 -0.06 0.00 0.00 0.00 0.00 61.98 61.56 2dmc s VAL 103 Cb -0.16 -2.63 0.03 0.00 0.00 0.00 0.00 36.38 33.62 2dmc s VAL 103 CO 0.02 0.53 0.23 0.68 0.00 0.00 0.00 175.10 176.56 2dmc s VAL 104 N -0.05 -0.02 0.22 2.92 -7.23 -1.26 -0.33 120.40 114.65 2dmc s VAL 104 Ca 0.01 0.07 -0.30 0.00 -1.81 0.00 0.00 61.98 59.95 2dmc s VAL 104 Cb -0.13 -0.34 -0.09 0.00 0.56 0.00 0.00 36.38 36.38 2dmc s VAL 104 CO 0.03 0.03 1.40 0.00 -0.31 0.00 0.00 175.10 176.24 2dmc s GLN 105 N 0.62 4.31 0.37 4.82 0.00 -1.26 -3.72 119.66 124.80 2dmc s GLN 105 Ca -0.04 2.21 0.08 0.00 -0.00 0.00 0.00 55.36 57.61 2dmc s GLN 105 Cb -0.06 -3.15 -0.05 0.00 0.00 0.00 0.00 33.01 29.76 2dmc s GLN 105 CO -0.03 -0.37 0.14 -1.54 0.00 0.00 0.00 175.29 173.48 2dmc s SER 106 N 0.42 4.46 -0.21 12.60 1.04 -1.26 -5.04 113.70 125.71 2dmc s SER 106 Ca 0.59 -0.96 0.02 0.00 0.48 0.00 0.00 55.95 56.08 2dmc s SER 106 Cb -0.40 -0.57 0.04 0.00 0.10 0.00 0.00 66.02 65.19 2dmc s SER 106 CO 0.40 -0.40 -0.15 -0.70 0.98 0.00 0.00 173.24 173.37 2dmc s GLU 107 N -3.85 2.54 -0.15 4.02 2.56 -1.26 -5.00 118.70 117.56 2dmc s GLU 107 Ca 0.39 -0.99 -0.16 0.00 0.00 0.00 0.00 54.97 54.21 2dmc s GLU 107 Cb 0.01 -2.63 -0.05 0.00 2.00 0.00 0.00 34.13 33.46 2dmc s GLU 107 CO 0.22 -0.37 -0.31 -0.89 -0.56 0.00 0.00 175.26 173.35 2dmc n ILE 108 N 4.58 1.43 0.00 -3.70 2.08 -1.26 -5.04 119.36 117.46 2dmc n ILE 108 Ca -0.17 0.17 0.00 0.00 0.56 0.00 0.00 62.75 63.31 2dmc n ILE 108 Cb 0.47 -2.26 0.00 0.00 -0.75 0.00 0.00 39.64 37.10 2dmc n ILE 108 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2dmc n GLY 109 N 1.65 1.78 3.43 7.39 0.00 -1.26 -4.82 105.19 113.35 2dmc n GLY 109 Ca -0.12 -0.22 -0.15 0.00 0.00 0.00 0.00 46.02 45.52 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 -4.00 -0.52 -0.12 1.61 2.15 -1.26 -5.16 116.67 109.37 2dmc s ASP 110 Ca 0.00 0.39 0.02 0.00 0.43 0.00 0.00 52.55 53.38 2dmc s ASP 110 Cb 0.00 0.50 0.01 0.00 -0.30 0.00 0.00 42.92 43.14 2dmc s ASP 110 CO 0.00 -0.66 -0.18 -0.55 -0.17 0.00 0.00 175.17 173.61 2dmc s SER 111 N -1.63 2.71 -0.38 -0.34 0.15 -1.26 -5.03 113.70 107.93 2dmc s SER 111 Ca -0.08 -0.50 0.01 0.00 0.70 0.00 0.00 55.95 56.08 2dmc s SER 111 Cb -0.01 -1.23 0.27 0.00 -1.71 0.00 0.00 66.02 63.34 2dmc s SER 111 CO 0.03 0.03 1.15 0.61 1.20 0.00 0.00 173.24 176.26 2dmc n GLY 112 N 4.22 -1.11 0.15 9.45 0.00 -1.26 -5.03 105.19 111.61 2dmc n GLY 112 Ca -0.19 0.70 -0.13 0.00 0.00 0.00 0.00 46.02 46.40 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 3.30 0.44 -4.45 1.61 0.13 -2.07 -3.46 132.00 127.49 2dmc h PRO 113 Ca -0.21 -0.23 -0.18 0.00 -0.87 0.00 0.00 66.00 64.51 2dmc h PRO 113 Cb 1.15 0.01 -0.15 0.00 0.13 0.00 0.00 31.00 32.14 2dmc h PRO 113 CO -0.01 0.79 -0.67 -1.12 -0.23 0.00 0.00 178.00 176.76 2dmc s SER 114 N -6.22 0.69 0.02 1.44 0.01 -1.26 -5.08 113.70 103.30 2dmc s SER 114 Ca -0.14 -1.07 -0.28 0.00 1.31 0.00 0.00 55.95 55.77 2dmc s SER 114 Cb 0.06 0.19 -0.16 0.00 0.21 0.00 0.00 66.02 66.32 2dmc s SER 114 CO 0.77 -0.60 1.23 0.28 0.41 0.00 0.00 173.24 175.34 2dmc h SER 115 N 2.98 -0.71 0.00 2.44 0.02 -2.03 -3.54 113.55 112.70 2dmc h SER 115 Ca -0.35 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 2dmc h SER 115 Cb 1.17 0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.89 2dmc h SER 115 CO 0.64 -0.36 0.00 0.61 -1.14 0.00 0.00 176.83 176.57