#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 2.06 0.69 1.61 1.04 -1.26 -5.13 113.70 112.70 2dmb s SER 2 Ca 0.00 -1.20 -0.17 0.00 0.48 0.00 0.00 55.95 55.07 2dmb s SER 2 Cb 0.00 -0.04 0.01 0.00 0.10 0.00 0.00 66.02 66.10 2dmb s SER 2 CO 0.00 -0.46 1.27 -0.94 0.98 0.00 0.00 173.24 174.09 2dmb s SER 3 N -3.33 4.37 0.16 7.02 1.04 -1.26 -4.99 113.70 116.71 2dmb s SER 3 Ca 0.28 2.55 -0.12 0.00 0.48 0.00 0.00 55.95 59.14 2dmb s SER 3 Cb 0.05 -2.61 -0.07 0.00 0.10 0.00 0.00 66.02 63.49 2dmb s SER 3 CO 0.09 -2.16 0.53 -0.83 0.98 0.00 0.00 173.24 171.85 2dmb s GLY 4 N -1.60 2.39 -0.19 7.32 0.00 -1.26 -5.06 107.32 108.93 2dmb s GLY 4 Ca 0.80 -0.21 -0.21 0.00 0.00 0.00 0.00 44.72 45.10 2dmb s GLY 4 CO 0.42 0.02 0.66 -0.45 0.00 0.00 0.00 173.10 173.75 2dmb s SER 5 N -1.91 6.72 -0.12 1.64 0.15 -1.26 -5.05 113.70 113.87 2dmb s SER 5 Ca 0.40 0.88 -0.11 0.00 0.70 0.00 0.00 55.95 57.82 2dmb s SER 5 Cb -0.14 -2.36 -0.05 0.00 -1.71 0.00 0.00 66.02 61.76 2dmb s SER 5 CO 0.20 -0.29 0.23 -0.55 1.20 0.00 0.00 173.24 174.03 2dmb s SER 6 N 1.19 6.46 1.03 5.45 0.15 -1.26 -4.90 113.70 121.82 2dmb s SER 6 Ca 0.30 0.54 0.00 0.00 0.70 0.00 0.00 55.95 57.49 2dmb s SER 6 Cb -0.16 -2.14 0.00 0.00 -1.71 0.00 0.00 66.02 62.01 2dmb s SER 6 CO 0.11 0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.44 2dmb n GLY 7 N 2.54 2.10 3.13 9.45 0.00 -1.26 -4.83 105.19 116.31 2dmb n GLY 7 Ca -0.16 -0.48 -0.12 0.00 0.00 0.00 0.00 46.02 45.26 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 0.00 0.07 0.00 2.61 -4.23 -1.26 -5.02 115.64 107.81 2dmb s THR 8 Ca 0.00 -0.55 0.00 0.00 -1.18 0.00 0.00 61.69 59.96 2dmb s THR 8 Cb 0.00 -0.45 0.00 0.00 1.34 0.00 0.00 72.50 73.39 2dmb s THR 8 CO 0.00 -0.30 0.00 0.61 -0.54 0.00 0.00 174.62 174.39 2dmb n GLY 9 N 1.61 0.20 3.56 3.99 0.00 -1.18 -4.93 105.19 108.44 2dmb n GLY 9 Ca -0.21 -1.61 -0.26 0.00 0.00 0.00 0.00 46.02 43.94 2dmb n GLY 9 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2dmb s ASP 10 N -1.00 3.76 -0.18 1.61 1.47 0.86 -4.95 116.67 118.24 2dmb s ASP 10 Ca 0.00 -1.23 0.00 0.00 1.18 0.00 0.00 52.55 52.51 2dmb s ASP 10 Cb 0.00 -0.36 -0.11 0.00 -0.34 0.00 0.00 42.92 42.11 2dmb s ASP 10 CO 0.00 -0.25 -0.17 0.00 0.68 0.00 0.00 175.17 175.43 2dmb n ALA 11 N -0.83 1.63 -0.32 2.11 0.00 -1.26 -4.44 120.51 117.40 2dmb n ALA 11 Ca -0.05 -0.77 0.22 0.00 0.00 0.00 0.00 53.44 52.84 2dmb n ALA 11 Cb 0.64 0.10 0.43 0.00 0.00 0.00 0.00 19.45 20.62 2dmb n ALA 11 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2dmb h SER 12 N -0.07 0.12 -0.58 0.00 0.87 -1.93 0.83 113.55 112.78 2dmb h SER 12 Ca -0.41 0.24 -0.07 0.00 -1.23 0.00 0.00 61.79 60.32 2dmb h SER 12 Cb 1.60 0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 63.83 2dmb h SER 12 CO -0.09 -0.29 0.11 0.11 -0.53 0.00 0.00 176.83 176.14 2dmb h LYS 13 N 0.12 0.95 -6.19 2.24 1.79 -1.96 -3.44 116.57 110.09 2dmb h LYS 13 Ca 0.70 -0.25 -0.72 0.00 -2.18 0.00 0.00 60.65 58.20 2dmb h LYS 13 Cb 1.64 -0.11 0.04 0.00 -1.58 0.00 0.00 32.23 32.22 2dmb h LYS 13 CO -0.74 0.90 0.48 0.00 -1.08 0.00 0.00 179.45 179.01 2dmb s LEU 15 N 1.11 2.74 -0.22 0.00 1.43 -1.08 -5.02 118.68 117.65 2dmb s LEU 15 Ca 0.89 -0.40 -0.03 0.00 -1.03 0.00 0.00 54.13 53.57 2dmb s LEU 15 Cb -1.06 -1.60 0.00 0.00 0.03 0.00 0.00 46.19 43.57 2dmb s LEU 15 CO 0.54 0.24 -0.07 0.00 0.23 0.00 0.00 176.35 177.29 2dmb s ALA 16 N -0.99 2.72 -0.13 4.21 0.00 -1.26 -1.17 121.76 125.14 2dmb s ALA 16 Ca 0.16 -1.25 0.02 0.00 0.00 0.00 0.00 51.96 50.88 2dmb s ALA 16 Cb -0.11 -1.64 0.01 0.00 0.00 0.00 0.00 23.12 21.39 2dmb s ALA 16 CO 0.07 -0.53 -0.18 0.95 0.00 0.00 0.00 175.76 176.07 2dmb s THR 17 N 1.42 1.78 0.00 0.00 -4.23 -1.15 -5.02 115.64 108.44 2dmb s THR 17 Ca 0.04 -0.80 0.00 0.00 -1.18 0.00 0.00 61.69 59.75 2dmb s THR 17 Cb -0.15 -1.61 0.00 0.00 1.34 0.00 0.00 72.50 72.09 2dmb s THR 17 CO -0.05 0.50 0.00 0.61 -0.54 0.00 0.00 174.62 175.14 2dmb n GLY 18 N 4.26 2.92 0.20 3.99 0.00 -1.26 -1.59 105.19 113.70 2dmb n GLY 18 Ca -0.19 -0.77 0.06 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.97 -2.70 132.00 129.06 2dmb h PRO 19 Ca 0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.05 2dmb h PRO 19 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2dmb h PRO 19 CO 0.00 0.35 -0.37 0.78 -0.23 0.00 0.00 178.00 178.53 2dmb h GLY 20 N 1.60 0.00 0.71 1.56 0.00 -1.92 -2.81 103.07 102.21 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 0.05 0.00 -0.95 0.29 0.00 0.00 0.00 176.54 175.92 2dmb n ILE 21 N -3.83 0.21 -1.60 2.60 -5.35 -1.12 -4.95 119.36 105.32 2dmb n ILE 21 Ca -0.01 -0.25 -0.46 0.00 -0.27 0.00 0.00 62.75 61.75 2dmb n ILE 21 Cb 0.44 0.13 -0.03 0.00 -1.74 0.00 0.00 39.64 38.45 2dmb n ILE 21 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2dmb n ALA 22 N -1.83 -0.21 -0.25 -1.28 0.00 -1.04 -4.77 120.51 111.13 2dmb n ALA 22 Ca 0.02 0.42 0.20 0.00 0.00 0.00 0.00 53.44 54.09 2dmb n ALA 22 Cb 0.44 -2.07 0.38 0.00 0.00 0.00 0.00 19.45 18.20 2dmb n ALA 22 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2dmb n SER 23 N 1.71 0.16 -4.31 0.00 7.64 -1.26 -4.33 113.62 113.23 2dmb n SER 23 Ca 0.12 1.26 -0.20 0.00 1.01 0.00 0.00 58.87 61.06 2dmb n SER 23 Cb 0.29 -0.57 -0.11 0.00 -1.01 0.00 0.00 64.21 62.81 2dmb n SER 23 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2dmb s THR 24 N -5.29 1.66 0.04 0.44 -4.23 -1.26 -0.25 115.64 106.75 2dmb s THR 24 Ca -0.08 -1.98 -0.23 0.00 -1.18 0.00 0.00 61.69 58.23 2dmb s THR 24 Cb 0.25 -1.84 0.05 0.00 1.34 0.00 0.00 72.50 72.30 2dmb s THR 24 CO 0.59 -0.45 0.53 0.68 -0.54 0.00 0.00 174.62 175.43 2dmb s VAL 25 N -2.43 0.03 0.18 2.29 -7.23 -0.58 -4.89 120.40 107.76 2dmb s VAL 25 Ca 0.17 -0.22 -0.17 0.00 -1.81 0.00 0.00 61.98 59.95 2dmb s VAL 25 Cb -0.04 -0.97 -0.08 0.00 0.56 0.00 0.00 36.38 35.86 2dmb s VAL 25 CO 0.06 -0.12 0.63 -0.75 -0.31 0.00 0.00 175.10 174.61 2dmb s LYS 26 N -2.40 4.11 0.51 4.82 2.20 -1.26 -0.92 119.74 126.81 2dmb s LYS 26 Ca -0.06 0.68 -0.06 0.00 -0.36 0.00 0.00 55.97 56.17 2dmb s LYS 26 Cb -0.01 -2.92 -0.03 0.00 -1.51 0.00 0.00 37.83 33.37 2dmb s LYS 26 CO -0.01 0.45 0.82 0.95 -0.36 0.00 0.00 175.35 177.20 2dmb s THR 27 N -1.48 4.69 0.00 3.43 -4.23 -0.45 -4.10 115.64 113.51 2dmb s THR 27 Ca 0.40 0.22 0.00 0.00 -1.18 0.00 0.00 61.69 61.13 2dmb s THR 27 Cb -0.16 -3.80 0.00 0.00 1.34 0.00 0.00 72.50 69.88 2dmb s THR 27 CO 0.20 -0.81 0.00 0.61 -0.54 0.00 0.00 174.62 174.08 2dmb n GLY 28 N -2.35 2.37 3.87 3.99 0.00 -0.95 -4.97 105.19 107.16 2dmb n GLY 28 Ca 0.02 -0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 2dmb n GLY 28 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2dmb s GLU 29 N 0.00 3.80 -0.42 1.61 -1.05 -1.26 -4.91 118.70 116.48 2dmb s GLU 29 Ca 0.00 0.43 -0.16 0.00 -0.15 0.00 0.00 54.97 55.09 2dmb s GLU 29 Cb 0.00 -2.45 0.02 0.00 -0.44 0.00 0.00 34.13 31.26 2dmb s GLU 29 CO 0.00 0.06 0.38 -2.00 0.95 0.00 0.00 175.26 174.65 2dmb s GLU 30 N -3.56 3.04 0.79 -4.83 2.12 -1.26 -4.28 118.70 110.71 2dmb s GLU 30 Ca 0.51 -0.88 -0.10 0.00 0.36 0.00 0.00 54.97 54.86 2dmb s GLU 30 Cb -0.10 -3.98 0.10 0.00 0.26 0.00 0.00 34.13 30.41 2dmb s GLU 30 CO 0.28 -0.81 1.13 0.14 -0.54 0.00 0.00 175.26 175.45 2dmb s VAL 31 N 1.93 2.12 -0.29 3.70 -7.23 -0.93 -4.94 120.40 114.76 2dmb s VAL 31 Ca 0.09 -0.16 0.04 0.00 -1.81 0.00 0.00 61.98 60.14 2dmb s VAL 31 Cb -0.18 -2.96 0.20 0.00 0.56 0.00 0.00 36.38 34.00 2dmb s VAL 31 CO 0.12 0.00 0.65 -0.83 -0.31 0.00 0.00 175.10 174.73 2dmb s GLY 32 N -4.64 -1.23 0.16 2.32 0.00 -1.26 -3.25 107.32 99.43 2dmb s GLY 32 Ca 0.64 1.19 0.05 0.00 0.00 0.00 0.00 44.72 46.61 2dmb s GLY 32 CO 0.48 3.75 0.11 -0.11 0.00 0.00 0.00 173.10 177.32 2dmb s PHE 33 N 2.84 3.09 -0.02 1.90 -0.12 -0.07 -4.45 117.98 121.16 2dmb s PHE 33 Ca 0.12 -0.03 0.01 0.00 -0.05 0.00 0.00 56.93 56.98 2dmb s PHE 33 Cb -0.09 -1.49 0.01 0.00 -0.63 0.00 0.00 43.02 40.82 2dmb s PHE 33 CO -0.25 0.52 -0.01 0.54 -0.05 0.00 0.00 175.22 175.97 2dmb s VAL 34 N -1.72 0.15 0.30 -2.49 0.11 -0.62 -0.22 120.40 115.90 2dmb s VAL 34 Ca 0.30 0.02 -0.27 0.00 -2.93 0.00 0.00 61.98 59.10 2dmb s VAL 34 Cb -0.10 -0.20 -0.10 0.00 -1.53 0.00 0.00 36.38 34.45 2dmb s VAL 34 CO 0.22 0.10 0.94 -0.69 -3.33 0.00 0.00 175.10 172.34 2dmb s VAL 35 N 0.56 4.17 -0.06 2.04 1.01 -0.68 -2.92 120.40 124.52 2dmb s VAL 35 Ca -0.05 1.90 0.04 0.00 0.00 0.00 0.00 61.98 63.88 2dmb s VAL 35 Cb -0.08 -4.11 -0.02 0.00 0.00 0.00 0.00 36.38 32.17 2dmb s VAL 35 CO -0.01 0.26 -0.18 -0.62 0.00 0.00 0.00 175.10 174.54 2dmb s ASP 36 N -1.48 3.66 -0.08 3.32 -1.08 -0.31 -3.24 116.67 117.46 2dmb s ASP 36 Ca 0.47 -0.33 0.01 0.00 -0.52 0.00 0.00 52.55 52.19 2dmb s ASP 36 Cb -0.21 -0.86 0.02 0.00 -1.46 0.00 0.00 42.92 40.41 2dmb s ASP 36 CO 0.26 0.30 -0.09 0.00 0.52 0.00 0.00 175.17 176.16 2dmb s ALA 37 N -0.45 1.17 0.00 3.66 0.00 -1.17 -2.63 121.76 122.34 2dmb s ALA 37 Ca 0.05 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 51.62 2dmb s ALA 37 Cb -0.12 -0.66 0.00 0.00 0.00 0.00 0.00 23.12 22.34 2dmb s ALA 37 CO 0.02 -0.10 0.00 0.36 0.00 0.00 0.00 175.76 176.04 2dmb n LYS 38 N 4.26 0.00 -0.01 0.00 2.85 -1.26 -4.90 118.16 119.10 2dmb n LYS 38 Ca -0.19 0.00 -0.00 0.00 -1.05 0.00 0.00 58.31 57.07 2dmb n LYS 38 Cb 0.51 -0.63 -0.02 0.00 -0.65 0.00 0.00 35.03 34.23 2dmb n LYS 38 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 177.40 174.98 2dmb n THR 39 N -2.62 0.10 -0.26 0.58 5.66 -1.26 -4.71 114.28 111.78 2dmb n THR 39 Ca 0.00 -0.09 0.14 0.00 -3.05 0.00 0.00 64.05 61.04 2dmb n THR 39 Cb 0.40 -0.31 0.26 0.00 -1.55 0.00 0.00 70.33 69.14 2dmb n THR 39 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2dmb n ALA 40 N -1.87 0.46 0.00 1.79 0.00 -1.26 -4.78 120.51 114.84 2dmb n ALA 40 Ca -0.03 0.80 0.00 0.00 0.00 0.00 0.00 53.44 54.22 2dmb n ALA 40 Cb 0.35 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 19.18 2dmb n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dmb n GLY 41 N -1.35 0.48 3.29 0.00 0.00 -1.26 -0.10 105.19 106.25 2dmb n GLY 41 Ca 0.20 -1.25 -0.27 0.00 0.00 0.00 0.00 46.02 44.70 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 1.51 0.00 1.61 2.20 -1.26 -4.95 119.74 118.85 2dmb s LYS 42 Ca 0.00 -1.03 0.00 0.00 -0.36 0.00 0.00 55.97 54.58 2dmb s LYS 42 Cb 0.00 -1.67 0.00 0.00 -1.51 0.00 0.00 37.83 34.65 2dmb s LYS 42 CO 0.00 0.42 0.00 0.41 -0.36 0.00 0.00 175.35 175.82 2dmb n GLY 43 N 1.74 2.87 3.91 5.54 0.00 -1.26 -3.12 105.19 114.87 2dmb n GLY 43 Ca -0.17 -0.92 -0.32 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.00 3.42 -0.17 1.61 3.01 -1.26 -4.74 119.74 119.61 2dmb s LYS 44 Ca 0.00 -0.40 -0.02 0.00 -1.01 0.00 0.00 55.97 54.54 2dmb s LYS 44 Cb 0.00 -3.05 -0.01 0.00 -1.01 0.00 0.00 37.83 33.76 2dmb s LYS 44 CO 0.00 0.64 -0.10 0.08 0.51 0.00 0.00 175.35 176.48 2dmb s VAL 45 N -1.43 3.14 -0.06 3.17 1.01 -1.26 -1.19 120.40 123.79 2dmb s VAL 45 Ca 0.32 -0.60 0.04 0.00 0.00 0.00 0.00 61.98 61.73 2dmb s VAL 45 Cb -0.13 -2.37 -0.02 0.00 0.00 0.00 0.00 36.38 33.86 2dmb s VAL 45 CO 0.24 0.48 -0.16 0.42 0.00 0.00 0.00 175.10 176.08 2dmb s THR 46 N 0.90 2.86 0.09 3.92 -4.23 -0.96 -4.97 115.64 113.24 2dmb s THR 46 Ca -0.02 -0.79 0.10 0.00 -1.18 0.00 0.00 61.69 59.80 2dmb s THR 46 Cb -0.15 -2.11 -0.04 0.00 1.34 0.00 0.00 72.50 71.54 2dmb s THR 46 CO 0.00 0.58 -0.25 0.00 -0.54 0.00 0.00 174.62 174.41 2dmb s THR 48 N -0.96 -0.34 -0.36 0.00 2.01 -1.10 -4.72 115.64 110.17 2dmb s THR 48 Ca 0.14 -0.31 -0.29 0.00 0.31 0.00 0.00 61.69 61.54 2dmb s THR 48 Cb -0.10 -0.82 0.02 0.00 0.01 0.00 0.00 72.50 71.61 2dmb s THR 48 CO 0.05 -0.35 1.12 -0.69 -0.69 0.00 0.00 174.62 174.06 2dmb s VAL 49 N 2.33 4.38 -0.32 3.82 1.01 -1.25 -2.59 120.40 127.78 2dmb s VAL 49 Ca 0.08 1.55 -0.08 0.00 0.00 0.00 0.00 61.98 63.53 2dmb s VAL 49 Cb -0.15 -4.44 0.02 0.00 0.00 0.00 0.00 36.38 31.80 2dmb s VAL 49 CO -0.22 -0.63 0.11 -0.22 0.00 0.00 0.00 175.10 174.15 2dmb s LEU 50 N 3.96 4.11 0.49 3.92 0.20 -0.43 -0.51 118.68 130.43 2dmb s LEU 50 Ca 0.47 -0.81 -0.21 0.00 0.69 0.00 0.00 54.13 54.27 2dmb s LEU 50 Cb -0.11 -1.92 -0.07 0.00 -0.43 0.00 0.00 46.19 43.66 2dmb s LEU 50 CO 0.21 -0.25 1.09 0.42 -0.29 0.00 0.00 176.35 177.53 2dmb s THR 51 N 1.50 3.46 -1.77 3.68 -4.23 -1.00 -1.56 115.64 115.72 2dmb s THR 51 Ca 0.02 0.96 0.15 0.00 -1.18 0.00 0.00 61.69 61.64 2dmb s THR 51 Cb -0.18 -3.42 0.37 0.00 1.34 0.00 0.00 72.50 70.61 2dmb s THR 51 CO 0.04 -0.15 1.37 -0.81 -0.54 0.00 0.00 174.62 174.53 2dmb n PRO 52 N -0.90 0.38 0.07 3.99 -0.04 -1.25 -2.50 135.00 134.74 2dmb n PRO 52 Ca 0.09 0.06 -0.09 0.00 -0.04 0.00 0.00 63.50 63.53 2dmb n PRO 52 Cb 0.51 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.35 2dmb n PRO 52 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2dmb h ASP 53 N 0.00 0.07 0.00 3.54 5.19 -1.91 -3.48 116.42 119.84 2dmb h ASP 53 Ca 0.00 -0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.33 2dmb h ASP 53 Cb 0.06 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.54 2dmb h ASP 53 CO 0.00 1.06 0.00 0.61 -3.12 0.00 0.00 179.24 177.79 2dmb n GLY 54 N 1.38 1.95 3.24 2.75 0.00 -1.04 -5.14 105.19 108.33 2dmb n GLY 54 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 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 1.12 -0.18 2.61 -4.23 -1.26 -5.05 115.64 106.65 2dmb s THR 55 Ca 0.00 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.38 2dmb s THR 55 Cb 0.00 -1.78 -0.05 0.00 1.34 0.00 0.00 72.50 72.02 2dmb s THR 55 CO 0.00 -0.73 0.26 -1.61 -0.54 0.00 0.00 174.62 172.00 2dmb s GLU 56 N -3.63 4.22 0.25 3.99 2.02 -1.26 -2.39 118.70 121.90 2dmb s GLU 56 Ca 0.15 0.01 0.06 0.00 0.02 0.00 0.00 54.97 55.21 2dmb s GLU 56 Cb 0.02 -3.45 -0.03 0.00 0.10 0.00 0.00 34.13 30.77 2dmb s GLU 56 CO 0.00 0.20 0.28 0.00 0.02 0.00 0.00 175.26 175.75 2dmb s ALA 57 N 0.62 3.76 0.03 5.21 0.00 0.33 -4.98 121.76 126.73 2dmb s ALA 57 Ca 0.14 -1.33 -0.15 0.00 0.00 0.00 0.00 51.96 50.62 2dmb s ALA 57 Cb -0.13 -1.51 -0.06 0.00 0.00 0.00 0.00 23.12 21.42 2dmb s ALA 57 CO 0.03 0.24 0.44 -1.21 0.00 0.00 0.00 175.76 175.27 2dmb s GLU 58 N -3.91 3.95 -0.11 0.00 2.02 -1.26 -3.90 118.70 115.48 2dmb s GLU 58 Ca 0.33 0.45 0.00 0.00 0.02 0.00 0.00 54.97 55.77 2dmb s GLU 58 Cb -0.08 -3.18 0.02 0.00 0.10 0.00 0.00 34.13 30.99 2dmb s GLU 58 CO 0.27 0.65 -0.10 0.00 0.02 0.00 0.00 175.26 176.11 2dmb s ALA 59 N -1.15 1.42 -0.31 5.21 0.00 -1.26 -4.86 121.76 120.80 2dmb s ALA 59 Ca 0.27 -0.59 -0.29 0.00 0.00 0.00 0.00 51.96 51.35 2dmb s ALA 59 Cb -0.17 -0.88 -0.02 0.00 0.00 0.00 0.00 23.12 22.06 2dmb s ALA 59 CO 0.15 -0.31 1.68 -0.51 0.00 0.00 0.00 175.76 176.77 2dmb s ASP 60 N 1.48 6.11 -0.38 0.00 1.11 -1.24 -4.94 116.67 118.81 2dmb s ASP 60 Ca 0.01 1.31 -0.10 0.00 0.18 0.00 0.00 52.55 53.96 2dmb s ASP 60 Cb -0.13 -2.53 0.04 0.00 1.07 0.00 0.00 42.92 41.37 2dmb s ASP 60 CO -0.06 -1.53 0.20 -0.69 1.18 0.00 0.00 175.17 174.26 2dmb s VAL 61 N 6.14 4.35 -0.36 -1.27 1.01 -1.26 -3.27 120.40 125.74 2dmb s VAL 61 Ca 0.74 -1.02 -0.11 0.00 0.00 0.00 0.00 61.98 61.59 2dmb s VAL 61 Cb -0.22 -3.48 0.01 0.00 0.00 0.00 0.00 36.38 32.70 2dmb s VAL 61 CO 0.32 -0.28 0.21 -0.63 0.00 0.00 0.00 175.10 174.72 2dmb s ILE 62 N 1.50 4.72 0.32 2.22 1.09 0.19 -4.97 121.20 126.26 2dmb s ILE 62 Ca 0.01 -0.67 -0.27 0.00 -1.10 0.00 0.00 60.65 58.63 2dmb s ILE 62 Cb -0.20 -3.56 -0.09 0.00 -1.06 0.00 0.00 42.46 37.55 2dmb s ILE 62 CO 0.05 -0.14 0.99 -1.83 -0.10 0.00 0.00 174.94 173.90 2dmb s GLU 63 N 1.60 4.57 0.31 2.79 -1.05 -1.26 -1.12 118.70 124.53 2dmb s GLU 63 Ca 0.03 1.46 0.10 0.00 -0.15 0.00 0.00 54.97 56.42 2dmb s GLU 63 Cb -0.18 -2.90 -0.05 0.00 -0.44 0.00 0.00 34.13 30.55 2dmb s GLU 63 CO 0.07 0.24 -0.06 -0.80 0.95 0.00 0.00 175.26 175.66 2dmb s ASN 64 N -1.41 4.06 -0.09 0.83 0.01 -0.35 -4.96 114.94 113.03 2dmb s ASN 64 Ca 0.49 -0.94 0.10 0.00 -0.71 0.00 0.00 52.86 51.79 2dmb s ASN 64 Cb -0.23 -0.52 0.43 0.00 0.41 0.00 0.00 41.25 41.34 2dmb s ASN 64 CO 0.29 -0.10 1.24 -0.62 -1.51 0.00 0.00 177.10 176.39 2dmb n GLU 65 N -0.83 2.78 -0.48 -0.60 1.02 -1.26 -3.83 120.64 117.43 2dmb n GLU 65 Ca -0.05 -1.68 0.07 0.00 -0.02 0.00 0.00 57.16 55.48 2dmb n GLU 65 Cb 0.61 -1.73 0.18 0.00 -0.02 0.00 0.00 31.44 30.49 2dmb n GLU 65 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2dmb n ASP 66 N 0.48 1.84 -3.16 1.62 8.00 -1.26 -4.97 116.55 119.09 2dmb n ASP 66 Ca 0.15 -3.62 -0.16 0.00 0.71 0.00 0.00 54.79 51.87 2dmb n ASP 66 Cb 0.64 -0.49 0.08 0.00 -0.02 0.00 0.00 41.12 41.32 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 -1.15 -0.28 3.24 0.44 0.00 -1.25 -4.85 105.19 101.34 2dmb n GLY 67 Ca 0.18 0.05 -0.10 0.00 0.00 0.00 0.00 46.02 46.15 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 -3.31 0.11 -0.10 2.61 -4.23 -1.26 -3.05 115.64 106.40 2dmb s THR 68 Ca 0.08 -0.87 -0.02 0.00 -1.18 0.00 0.00 61.69 59.71 2dmb s THR 68 Cb -0.03 -1.11 0.03 0.00 1.34 0.00 0.00 72.50 72.73 2dmb s THR 68 CO 0.65 -0.48 -0.00 -0.31 -0.54 0.00 0.00 174.62 173.94 2dmb s TYR 69 N -3.20 0.84 -0.15 3.99 1.51 -1.20 -1.21 117.35 117.94 2dmb s TYR 69 Ca -0.00 -0.38 -0.18 0.00 -1.01 0.00 0.00 57.07 55.50 2dmb s TYR 69 Cb 0.02 -0.90 -0.04 0.00 -0.11 0.00 0.00 41.96 40.92 2dmb s TYR 69 CO -0.07 -0.41 0.48 -0.51 -1.11 0.00 0.00 175.55 173.92 2dmb s ASP 70 N 1.92 6.62 0.01 2.29 1.11 -0.28 -1.68 116.67 126.66 2dmb s ASP 70 Ca 0.04 0.74 0.04 0.00 0.18 0.00 0.00 52.55 53.54 2dmb s ASP 70 Cb -0.13 -2.28 -0.01 0.00 1.07 0.00 0.00 42.92 41.56 2dmb s ASP 70 CO -0.06 -0.06 -0.12 -0.63 1.18 0.00 0.00 175.17 175.48 2dmb s ILE 71 N 0.98 0.96 0.04 0.77 1.01 0.69 -0.64 121.20 125.01 2dmb s ILE 71 Ca 0.24 -0.73 0.02 0.00 0.00 0.00 0.00 60.65 60.18 2dmb s ILE 71 Cb -0.15 -0.84 -0.02 0.00 0.01 0.00 0.00 42.46 41.45 2dmb s ILE 71 CO 0.10 0.11 -0.08 -0.36 0.00 0.00 0.00 174.94 174.70 2dmb s PHE 72 N -0.58 0.71 0.19 3.97 0.40 -1.20 -0.90 117.98 120.57 2dmb s PHE 72 Ca 0.02 -0.50 -0.23 0.00 -0.60 0.00 0.00 56.93 55.62 2dmb s PHE 72 Cb -0.06 -0.42 0.05 0.00 0.51 0.00 0.00 43.02 43.10 2dmb s PHE 72 CO 0.00 -0.08 0.70 1.52 0.70 0.00 0.00 175.22 178.07 2dmb s TYR 73 N -1.40 -0.35 0.06 0.36 -0.85 -1.20 -3.71 117.35 110.25 2dmb s TYR 73 Ca -0.09 0.04 0.05 0.00 -0.52 0.00 0.00 57.07 56.55 2dmb s TYR 73 Cb -0.10 0.62 -0.03 0.00 0.38 0.00 0.00 41.96 42.84 2dmb s TYR 73 CO 0.00 -0.98 -0.15 0.99 -1.52 0.00 0.00 175.55 173.90 2dmb s THR 74 N -3.72 1.20 -0.63 -3.49 2.01 -1.26 -2.19 115.64 107.57 2dmb s THR 74 Ca 0.06 -1.19 -0.07 0.00 0.31 0.00 0.00 61.69 60.80 2dmb s THR 74 Cb -0.03 -1.11 0.16 0.00 0.01 0.00 0.00 72.50 71.53 2dmb s THR 74 CO -0.03 -0.08 0.49 0.00 -0.69 0.00 0.00 174.62 174.30 2dmb s ALA 75 N -1.04 3.64 0.22 7.40 0.00 -1.26 -4.94 121.76 125.78 2dmb s ALA 75 Ca 0.01 -3.05 -0.08 0.00 0.00 0.00 0.00 51.96 48.83 2dmb s ALA 75 Cb -0.09 -2.91 0.27 0.00 0.00 0.00 0.00 23.12 20.39 2dmb s ALA 75 CO 0.02 -2.08 1.81 0.00 0.00 0.00 0.00 175.76 175.51 2dmb h ALA 76 N 7.64 0.95 -3.73 0.00 0.00 -1.96 -2.52 119.26 119.64 2dmb h ALA 76 Ca -0.04 0.02 -0.48 0.00 0.00 0.00 0.00 54.91 54.41 2dmb h ALA 76 Cb 1.01 -0.12 -0.24 0.00 0.00 0.00 0.00 17.79 18.44 2dmb h ALA 76 CO 0.76 0.06 -0.80 0.15 0.00 0.00 0.00 179.25 179.42 2dmb s LYS 77 N -6.08 1.02 0.82 0.00 1.02 -1.26 -4.73 119.74 110.52 2dmb s LYS 77 Ca -0.13 -0.88 -0.11 0.00 0.02 0.00 0.00 55.97 54.88 2dmb s LYS 77 Cb 0.17 -1.08 0.08 0.00 -0.52 0.00 0.00 37.83 36.48 2dmb s LYS 77 CO 0.76 0.26 1.09 -1.25 -0.92 0.00 0.00 175.35 175.30 2dmb s PRO 78 N -1.35 1.89 0.00 -1.68 0.04 -1.26 -4.96 135.00 127.68 2dmb s PRO 78 Ca 0.03 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.11 2dmb s PRO 78 Cb -0.09 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.59 2dmb s PRO 78 CO 0.02 -1.87 0.00 0.41 0.04 0.00 0.00 177.00 175.60 2dmb n GLY 79 N -1.17 0.13 3.08 0.56 0.00 -0.90 -4.96 105.19 101.94 2dmb n GLY 79 Ca 0.08 -1.16 -0.34 0.00 0.00 0.00 0.00 46.02 44.60 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 -4.00 2.88 0.37 2.61 2.01 -1.26 -0.48 115.64 117.77 2dmb s THR 80 Ca 0.00 -2.16 -0.11 0.00 0.31 0.00 0.00 61.69 59.73 2dmb s THR 80 Cb 0.00 -3.02 -0.07 0.00 0.01 0.00 0.00 72.50 69.42 2dmb s THR 80 CO 0.00 -0.64 0.74 -0.31 -0.69 0.00 0.00 174.62 173.71 2dmb s TYR 81 N 1.05 3.45 -0.20 4.92 1.51 -0.30 -3.81 117.35 123.97 2dmb s TYR 81 Ca 0.09 1.04 -0.00 0.00 -1.01 0.00 0.00 57.07 57.19 2dmb s TYR 81 Cb -0.21 -2.43 0.05 0.00 -0.11 0.00 0.00 41.96 39.26 2dmb s TYR 81 CO -0.06 -0.03 -0.04 0.08 -1.11 0.00 0.00 175.55 174.39 2dmb s VAL 82 N -2.24 1.20 -0.27 0.71 1.01 -0.60 -2.55 120.40 117.65 2dmb s VAL 82 Ca 0.51 -0.85 -0.09 0.00 0.00 0.00 0.00 61.98 61.55 2dmb s VAL 82 Cb -0.10 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 2dmb s VAL 82 CO 0.28 0.00 0.14 -0.63 0.00 0.00 0.00 175.10 174.89 2dmb s ILE 83 N 1.57 4.86 -0.23 2.22 1.01 -1.19 -1.31 121.20 128.13 2dmb s ILE 83 Ca -0.02 -0.01 -0.16 0.00 0.00 0.00 0.00 60.65 60.46 2dmb s ILE 83 Cb -0.17 -3.32 -0.04 0.00 0.01 0.00 0.00 42.46 38.95 2dmb s ILE 83 CO -0.07 0.27 0.40 -0.31 0.00 0.00 0.00 174.94 175.23 2dmb s TYR 84 N 1.69 3.32 -0.17 3.97 2.02 -1.07 -1.54 117.35 125.58 2dmb s TYR 84 Ca 0.07 0.55 0.01 0.00 -0.37 0.00 0.00 57.07 57.32 2dmb s TYR 84 Cb -0.16 -2.56 0.02 0.00 -0.40 0.00 0.00 41.96 38.86 2dmb s TYR 84 CO 0.08 -0.12 -0.17 0.08 -1.57 0.00 0.00 175.55 173.85 2dmb s VAL 85 N 1.70 1.83 -0.02 0.71 1.01 -1.26 -2.69 120.40 121.67 2dmb s VAL 85 Ca 0.18 -0.83 0.06 0.00 0.00 0.00 0.00 61.98 61.39 2dmb s VAL 85 Cb -0.15 -1.70 -0.01 0.00 0.00 0.00 0.00 36.38 34.52 2dmb s VAL 85 CO 0.09 0.47 -0.19 -0.60 0.00 0.00 0.00 175.10 174.86 2dmb s ARG 86 N 1.38 1.65 -0.25 2.72 3.52 -1.14 -3.47 118.95 123.36 2dmb s ARG 86 Ca 0.04 -0.69 0.01 0.00 -0.13 0.00 0.00 55.73 54.96 2dmb s ARG 86 Cb -0.13 -1.56 0.05 0.00 -1.56 0.00 0.00 34.95 31.75 2dmb s ARG 86 CO -0.12 0.39 -0.10 0.12 -0.81 0.00 0.00 175.30 174.78 2dmb s PHE 87 N -0.37 3.16 -1.40 5.12 2.19 0.11 -2.27 117.98 124.51 2dmb s PHE 87 Ca 0.05 -2.05 -0.07 0.00 0.33 0.00 0.00 56.93 55.19 2dmb s PHE 87 Cb -0.08 -1.97 0.04 0.00 -1.31 0.00 0.00 43.02 39.69 2dmb s PHE 87 CO -0.00 -0.84 0.90 0.41 1.83 0.00 0.00 175.22 177.52 2dmb n GLY 88 N 4.52 -0.41 2.21 13.12 0.00 -0.33 -1.23 105.19 123.07 2dmb n GLY 88 Ca -0.15 0.17 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.65 0.60 2.78 -0.02 0.00 -1.26 -4.97 105.19 100.67 2dmb n GLY 89 Ca -0.12 -0.61 -0.29 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.36 0.85 -0.60 1.61 1.01 -0.37 -5.09 120.40 115.45 2dmb s VAL 90 Ca 0.00 -0.94 -0.27 0.00 0.00 0.00 0.00 61.98 60.77 2dmb s VAL 90 Cb 0.00 -1.38 -0.00 0.00 0.00 0.00 0.00 36.38 35.00 2dmb s VAL 90 CO 0.00 -0.32 1.64 -0.62 0.00 0.00 0.00 175.10 175.81 2dmb s ASP 91 N 1.69 5.68 0.77 3.32 2.15 -1.26 -0.72 116.67 128.30 2dmb s ASP 91 Ca 0.01 0.25 -0.17 0.00 0.43 0.00 0.00 52.55 53.07 2dmb s ASP 91 Cb -0.18 -2.54 -0.14 0.00 -0.30 0.00 0.00 42.92 39.77 2dmb s ASP 91 CO -0.12 -2.07 -0.41 2.30 -0.17 0.00 0.00 175.17 174.69 2dmb n ILE 92 N 6.99 0.10 0.97 4.11 -5.35 -1.23 -4.75 119.36 120.21 2dmb n ILE 92 Ca 0.15 -0.49 0.05 0.00 -0.27 0.00 0.00 62.75 62.19 2dmb n ILE 92 Cb 0.50 -0.05 0.29 0.00 -1.74 0.00 0.00 39.64 38.63 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 1.80 0.49 -0.02 6.28 -0.04 -1.26 -2.02 135.00 140.23 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 -1.31 -0.15 0.00 -0.04 0.00 0.00 33.50 32.52 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 -0.81 0.61 -4.81 3.54 3.02 -1.26 -4.96 115.26 110.59 2dmb n ASN 94 Ca 0.07 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.26 2dmb n ASN 94 Cb 0.03 1.75 -0.06 0.00 -0.61 0.00 0.00 39.78 40.89 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 -4.35 7.09 1.02 6.41 0.15 -0.86 -3.87 113.70 119.30 2dmb s SER 95 Ca -0.07 1.44 -0.13 0.00 0.70 0.00 0.00 55.95 57.89 2dmb s SER 95 Cb 0.11 -2.43 0.20 0.00 -1.71 0.00 0.00 66.02 62.20 2dmb s SER 95 CO 0.79 0.04 1.09 -2.16 1.20 0.00 0.00 173.24 174.21 2dmb s PRO 96 N -1.92 0.23 -0.41 5.44 0.04 -1.26 -4.89 135.00 132.23 2dmb s PRO 96 Ca 0.43 0.45 -0.08 0.00 0.04 0.00 0.00 61.00 61.83 2dmb s PRO 96 Cb -0.17 -1.72 0.08 0.00 0.04 0.00 0.00 34.50 32.73 2dmb s PRO 96 CO 0.21 -2.85 0.23 -0.06 0.04 0.00 0.00 177.00 174.57 2dmb s PHE 97 N -2.97 3.35 -0.25 0.56 0.40 -0.59 -4.96 117.98 113.52 2dmb s PHE 97 Ca 0.66 -1.58 -0.29 0.00 -0.60 0.00 0.00 56.93 55.12 2dmb s PHE 97 Cb -0.18 -2.89 -0.02 0.00 0.51 0.00 0.00 43.02 40.44 2dmb s PHE 97 CO 0.58 -0.84 1.69 0.99 0.70 0.00 0.00 175.22 178.34 2dmb s THR 98 N 1.40 3.60 -0.12 0.64 2.01 -1.26 -3.18 115.64 118.72 2dmb s THR 98 Ca 0.03 0.65 0.01 0.00 0.31 0.00 0.00 61.69 62.69 2dmb s THR 98 Cb -0.22 -3.67 0.02 0.00 0.01 0.00 0.00 72.50 68.63 2dmb s THR 98 CO 0.02 -0.33 -0.14 -0.69 -0.69 0.00 0.00 174.62 172.79 2dmb s VAL 99 N 5.80 1.44 -0.28 3.82 1.01 -1.06 -4.54 120.40 126.59 2dmb s VAL 99 Ca 0.75 -0.58 -0.15 0.00 0.00 0.00 0.00 61.98 62.00 2dmb s VAL 99 Cb -0.24 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 2dmb s VAL 99 CO 0.31 0.43 0.38 -0.32 0.00 0.00 0.00 175.10 175.90 2dmb s MET 100 N 1.23 3.97 -0.25 2.72 1.75 0.65 -1.15 119.30 128.23 2dmb s MET 100 Ca -0.02 0.00 -0.19 0.00 -1.25 0.00 0.00 55.69 54.24 2dmb s MET 100 Cb -0.14 -3.67 -0.03 0.00 2.84 0.00 0.00 34.83 33.83 2dmb s MET 100 CO -0.05 -0.30 0.55 0.00 -0.65 0.00 0.00 175.02 174.56 2dmb s ALA 101 N 2.08 3.59 -0.02 4.11 0.00 0.37 -1.53 121.76 130.36 2dmb s ALA 101 Ca 0.15 -0.52 0.01 0.00 0.00 0.00 0.00 51.96 51.60 2dmb s ALA 101 Cb -0.16 -2.91 -0.03 0.00 0.00 0.00 0.00 23.12 20.01 2dmb s ALA 101 CO 0.10 -0.70 -0.01 0.95 0.00 0.00 0.00 175.76 176.10 2dmb s THR 102 N 2.24 4.09 0.35 0.00 -4.23 -0.10 -2.11 115.64 115.88 2dmb s THR 102 Ca 0.23 -0.57 0.07 0.00 -1.18 0.00 0.00 61.69 60.25 2dmb s THR 102 Cb -0.16 -2.79 0.14 0.00 1.34 0.00 0.00 72.50 71.03 2dmb s THR 102 CO 0.09 0.42 1.86 -2.24 -0.54 0.00 0.00 174.62 174.22 2dmb h ASP 103 N 4.53 0.31 -4.05 3.99 3.04 -1.93 -1.19 116.42 121.12 2dmb h ASP 103 Ca -0.49 -0.07 0.00 0.00 -3.24 0.00 0.00 57.03 53.23 2dmb h ASP 103 Cb 1.18 -0.08 0.00 0.00 -1.04 0.00 0.00 39.33 39.38 2dmb h ASP 103 CO 0.56 0.49 0.00 0.61 -2.04 0.00 0.00 179.24 178.86 2dmb n GLY 104 N -0.75 -2.38 3.66 7.15 0.00 -1.26 -4.54 105.19 107.07 2dmb n GLY 104 Ca -0.00 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 2dmb n GLY 104 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2dmb s GLU 105 N -3.07 4.14 0.15 1.61 -1.05 -1.26 -4.98 118.70 114.24 2dmb s GLU 105 Ca 0.00 2.63 0.11 0.00 -0.15 0.00 0.00 54.97 57.55 2dmb s GLU 105 Cb 0.00 -4.17 -0.04 0.00 -0.44 0.00 0.00 34.13 29.48 2dmb s GLU 105 CO 0.00 -0.96 -0.25 0.14 0.95 0.00 0.00 175.26 175.14 2dmb s VAL 106 N 4.49 2.20 0.20 1.83 -7.23 -1.26 -5.15 120.40 115.48 2dmb s VAL 106 Ca 0.89 -1.83 0.01 0.00 -1.81 0.00 0.00 61.98 59.25 2dmb s VAL 106 Cb -0.43 -1.97 -0.05 0.00 0.56 0.00 0.00 36.38 34.49 2dmb s VAL 106 CO 0.42 -0.01 0.05 0.42 -0.31 0.00 0.00 175.10 175.66 2dmb s THR 107 N -1.31 0.55 -0.26 5.32 -4.23 -1.26 -5.17 115.64 109.29 2dmb s THR 107 Ca 0.15 -1.98 -0.18 0.00 -1.18 0.00 0.00 61.69 58.50 2dmb s THR 107 Cb -0.09 -2.32 0.07 0.00 1.34 0.00 0.00 72.50 71.50 2dmb s THR 107 CO 0.07 -0.28 0.65 0.00 -0.54 0.00 0.00 174.62 174.52 2dmb s ALA 108 N -3.75 -1.70 0.08 3.99 0.00 -1.26 -5.05 121.76 114.07 2dmb s ALA 108 Ca 0.30 2.13 -0.17 0.00 0.00 0.00 0.00 51.96 54.22 2dmb s ALA 108 Cb 0.07 -1.25 -0.09 0.00 0.00 0.00 0.00 23.12 21.85 2dmb s ALA 108 CO 0.08 -0.34 1.45 0.28 0.00 0.00 0.00 175.76 177.22 2dmb h VAL 109 N 4.75 1.30 -1.69 0.00 2.07 -2.08 -3.39 116.25 117.20 2dmb h VAL 109 Ca -0.30 -1.21 -0.51 0.00 0.82 0.00 0.00 66.70 65.49 2dmb h VAL 109 Cb 1.20 1.54 -0.07 0.00 -1.52 0.00 0.00 31.29 32.44 2dmb h VAL 109 CO 0.15 0.38 1.19 -0.70 0.02 0.00 0.00 177.57 178.61 2dmb s GLU 110 N -4.59 3.10 -0.26 1.57 2.12 -1.26 -4.95 118.70 114.43 2dmb s GLU 110 Ca -0.13 -0.33 0.03 0.00 0.36 0.00 0.00 54.97 54.90 2dmb s GLU 110 Cb 0.08 -4.68 0.06 0.00 0.26 0.00 0.00 34.13 29.85 2dmb s GLU 110 CO 0.78 -2.46 -0.08 -2.00 -0.54 0.00 0.00 175.26 170.96 2dmb s GLU 111 N 5.97 2.05 -0.42 4.30 2.12 -1.26 -4.75 118.70 126.72 2dmb s GLU 111 Ca 0.50 -1.35 -0.01 0.00 0.36 0.00 0.00 54.97 54.47 2dmb s GLU 111 Cb -0.06 -2.87 -0.01 0.00 0.26 0.00 0.00 34.13 31.45 2dmb s GLU 111 CO 0.07 -0.62 0.35 0.00 -0.54 0.00 0.00 175.26 174.52 2dmb n ALA 112 N 4.45 -0.89 0.73 6.30 0.00 -1.26 -4.92 120.51 124.93 2dmb n ALA 112 Ca -0.12 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.40 2dmb n ALA 112 Cb 0.42 -1.59 0.38 0.00 0.00 0.00 0.00 19.45 18.67 2dmb n ALA 112 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2dmb n PRO 113 N -2.13 0.24 -2.63 0.00 -0.04 -1.26 -4.75 135.00 124.43 2dmb n PRO 113 Ca -0.08 0.13 -0.41 0.00 -0.04 0.00 0.00 63.50 63.10 2dmb n PRO 113 Cb 0.56 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.48 2dmb n PRO 113 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2dmb s VAL 114 N -2.51 4.31 -0.01 0.52 0.11 -1.26 -5.05 120.40 116.51 2dmb s VAL 114 Ca 0.15 1.88 0.04 0.00 -2.93 0.00 0.00 61.98 61.12 2dmb s VAL 114 Cb 0.10 -4.20 -0.01 0.00 -1.53 0.00 0.00 36.38 30.74 2dmb s VAL 114 CO 0.22 0.27 -0.14 0.20 -3.33 0.00 0.00 175.10 172.32 2dmb s ASN 115 N 0.18 1.60 -0.55 3.54 -0.87 -1.26 -5.09 114.94 112.48 2dmb s ASN 115 Ca 0.49 -0.25 -0.27 0.00 -1.57 0.00 0.00 52.86 51.26 2dmb s ASN 115 Cb -0.25 -0.18 -0.01 0.00 -0.02 0.00 0.00 41.25 40.79 2dmb s ASN 115 CO 0.31 0.16 1.68 0.00 -2.57 0.00 0.00 177.10 176.69 2dmb s ALA 116 N -0.34 2.52 -0.20 0.60 0.00 -1.26 -4.97 121.76 118.11 2dmb s ALA 116 Ca 0.05 -0.54 -0.05 0.00 0.00 0.00 0.00 51.96 51.43 2dmb s ALA 116 Cb -0.05 -4.19 -0.02 0.00 0.00 0.00 0.00 23.12 18.85 2dmb s ALA 116 CO -0.00 -3.35 -0.01 0.00 0.00 0.00 0.00 175.76 172.39 2dmb s PRO 118 N 1.01 4.24 -0.10 0.00 0.04 -1.26 -5.01 135.00 133.93 2dmb s PRO 118 Ca 0.01 2.02 -0.02 0.00 0.04 0.00 0.00 61.00 63.05 2dmb s PRO 118 Cb -0.14 -3.73 0.04 0.00 0.04 0.00 0.00 34.50 30.71 2dmb s PRO 118 CO 0.01 -0.69 0.03 0.45 0.04 0.00 0.00 177.00 176.84 2dmb s SER 119 N 2.38 1.78 -0.64 6.66 0.15 -1.26 -4.94 113.70 117.83 2dmb s SER 119 Ca 0.66 -0.23 -0.16 0.00 0.70 0.00 0.00 55.95 56.92 2dmb s SER 119 Cb -0.31 -0.37 0.02 0.00 -1.71 0.00 0.00 66.02 63.65 2dmb s SER 119 CO 0.26 -0.24 0.64 0.61 1.20 0.00 0.00 173.24 175.70 2dmb n GLY 120 N 5.18 -0.77 3.55 9.45 0.00 -1.26 -4.78 105.19 116.56 2dmb n GLY 120 Ca -0.06 0.87 -0.39 0.00 0.00 0.00 0.00 46.02 46.44 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 -3.54 2.63 -1.67 1.61 0.04 -1.26 -3.63 135.00 129.18 2dmb s PRO 121 Ca 0.17 0.61 -0.15 0.00 0.04 0.00 0.00 61.00 61.67 2dmb s PRO 121 Cb -0.02 -4.39 0.13 0.00 0.04 0.00 0.00 34.50 30.26 2dmb s PRO 121 CO 0.86 -2.72 0.67 0.43 0.04 0.00 0.00 177.00 176.27 2dmb n SER 122 N 12.72 -2.48 -4.73 6.66 7.64 -1.26 -4.92 113.62 127.26 2dmb n SER 122 Ca 0.20 -1.05 -0.35 0.00 1.01 0.00 0.00 58.87 58.69 2dmb n SER 122 Cb 0.52 -2.64 -0.08 0.00 -1.01 0.00 0.00 64.21 61.00 2dmb n SER 122 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dmb s SER 123 N -3.52 6.14 0.00 6.43 1.04 -1.24 -5.30 113.70 117.26 2dmb s SER 123 Ca 0.59 0.23 0.00 0.00 0.48 0.00 0.00 55.95 57.25 2dmb s SER 123 Cb -0.33 -2.07 0.00 0.00 0.10 0.00 0.00 66.02 63.72 2dmb s SER 123 CO 0.94 0.19 0.22 0.61 0.98 0.00 0.00 173.24 176.18