#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ulo s SER 2 N 0.00 4.01 0.00 0.00 0.15 -1.26 -5.11 113.70 111.49 1ulo s SER 2 Ca 0.00 -1.98 0.00 0.00 0.70 0.00 0.00 55.95 54.67 1ulo s SER 2 Cb 0.00 -1.00 0.00 0.00 -1.71 0.00 0.00 66.02 63.31 1ulo s SER 2 CO 0.00 -0.37 0.00 -0.81 1.20 0.00 0.00 173.24 173.26 1ulo n PRO 3 N 4.41 1.60 -2.08 5.44 -0.04 -1.26 -4.43 135.00 138.65 1ulo n PRO 3 Ca 0.02 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.21 1ulo n PRO 3 Cb 0.40 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.88 1ulo n PRO 3 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1ulo n ILE 4 N -0.12 2.65 -2.16 0.52 -5.35 -1.26 -4.88 119.36 108.75 1ulo n ILE 4 Ca 0.00 -4.30 -0.01 0.00 -0.27 0.00 0.00 62.75 58.17 1ulo n ILE 4 Cb 0.00 -1.18 0.00 0.00 -1.74 0.00 0.00 39.64 36.72 1ulo n ILE 4 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ulo n GLY 5 N -0.66 -0.57 3.51 3.28 0.00 -1.26 -4.72 105.19 104.77 1ulo n GLY 5 Ca 0.45 0.08 -0.31 0.00 0.00 0.00 0.00 46.02 46.24 1ulo n GLY 5 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ulo n GLU 6 N -1.47 0.08 -3.88 1.61 2.13 -1.26 -4.52 120.64 113.34 1ulo n GLU 6 Ca -0.00 -0.04 0.00 0.00 0.66 0.00 0.00 57.16 57.77 1ulo n GLU 6 Cb 0.51 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.72 1ulo n GLU 6 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ulo n GLY 7 N 6.05 -0.75 0.00 8.31 0.00 -1.23 -5.01 105.19 112.56 1ulo n GLY 7 Ca 0.64 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 45.48 1ulo n GLY 7 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ulo n THR 8 N 9.00 0.00 -2.40 2.61 -2.24 -1.26 -0.86 114.28 119.12 1ulo n THR 8 Ca 0.00 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.60 1ulo n THR 8 Cb 0.00 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.25 1ulo n THR 8 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1ulo n PHE 9 N 0.00 2.43 -0.98 4.78 3.72 -1.18 -4.65 117.46 121.57 1ulo n PHE 9 Ca 0.00 -2.55 -0.14 0.00 -0.05 0.00 0.00 57.45 54.71 1ulo n PHE 9 Cb 0.00 -0.25 -0.06 0.00 -0.94 0.00 0.00 39.48 38.23 1ulo n PHE 9 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1ulo n ASP 10 N -0.53 5.79 0.00 4.37 5.75 -1.26 -3.10 116.55 127.57 1ulo n ASP 10 Ca 0.30 -2.75 0.00 0.00 -0.01 0.00 0.00 54.79 52.34 1ulo n ASP 10 Cb 0.83 -1.24 0.00 0.00 -1.03 0.00 0.00 41.12 39.67 1ulo n ASP 10 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1ulo n ASP 11 N 1.48 0.00 0.00 -1.12 8.00 -1.26 -4.90 116.55 118.74 1ulo n ASP 11 Ca 0.32 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.82 1ulo n ASP 11 Cb 0.67 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.77 1ulo n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ulo n GLY 12 N 0.00 2.63 0.15 0.44 0.00 -1.25 -4.79 105.19 102.36 1ulo n GLY 12 Ca 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.42 1ulo n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ulo n PRO 13 N 1.20 0.97 0.00 1.61 -0.04 -1.26 -4.69 135.00 132.79 1ulo n PRO 13 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1ulo n PRO 13 Cb 0.00 -1.15 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 1ulo n PRO 13 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1ulo n GLU 14 N -0.35 0.00 0.00 0.54 4.07 -1.26 -1.57 120.64 122.08 1ulo n GLU 14 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1ulo n GLU 14 Cb 0.07 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.45 1ulo n GLU 14 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1ulo n GLY 15 N 0.00 0.10 3.66 8.31 0.00 -1.26 -5.06 105.19 110.95 1ulo n GLY 15 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 1ulo n GLY 15 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1ulo n TRP 16 N -0.02 2.42 -4.55 1.61 7.02 -0.61 -4.62 117.44 118.69 1ulo n TRP 16 Ca 0.00 -0.22 -0.28 0.00 -1.02 0.00 0.00 57.50 55.97 1ulo n TRP 16 Cb 0.24 -2.75 -0.14 0.00 -2.42 0.00 0.00 31.31 26.24 1ulo n TRP 16 CO 0.00 0.00 0.00 0.14 -2.02 0.00 0.00 177.69 175.81 1ulo s VAL 17 N 4.51 2.12 0.06 -0.99 -7.23 -0.78 -4.94 120.40 113.15 1ulo s VAL 17 Ca 0.91 -1.58 0.05 0.00 -1.81 0.00 0.00 61.98 59.55 1ulo s VAL 17 Cb -0.53 -1.86 -0.03 0.00 0.56 0.00 0.00 36.38 34.52 1ulo s VAL 17 CO 0.46 0.16 -0.14 0.00 -0.31 0.00 0.00 175.10 175.27 1ulo s ALA 18 N -0.98 1.13 0.13 1.32 0.00 -1.26 -0.44 121.76 121.67 1ulo s ALA 18 Ca 0.12 -0.92 -0.03 0.00 0.00 0.00 0.00 51.96 51.13 1ulo s ALA 18 Cb -0.10 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 1ulo s ALA 18 CO 0.04 0.17 0.11 1.52 0.00 0.00 0.00 175.76 177.61 1ulo s TYR 19 N -1.12 0.70 -0.00 0.00 -0.85 -0.63 -4.82 117.35 110.62 1ulo s TYR 19 Ca -0.01 -1.09 -0.00 0.00 -0.52 0.00 0.00 57.07 55.45 1ulo s TYR 19 Cb -0.09 -0.36 0.00 0.00 0.38 0.00 0.00 41.96 41.89 1ulo s TYR 19 CO 0.02 -0.56 0.00 0.41 -1.52 0.00 0.00 175.55 173.90 1ulo n GLY 20 N -0.10 0.61 0.00 5.49 0.00 -1.26 -2.63 105.19 107.30 1ulo n GLY 20 Ca -0.07 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.15 1ulo n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ulo n THR 21 N -3.38 0.00 -3.13 2.61 -2.24 -1.26 -4.63 114.28 102.25 1ulo n THR 21 Ca -0.00 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.37 1ulo n THR 21 Cb 0.50 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.66 1ulo n THR 21 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ulo s ASP 22 N 1.41 6.53 0.36 3.42 2.15 -1.25 -4.94 116.67 124.35 1ulo s ASP 22 Ca 0.00 0.59 0.00 0.00 0.43 0.00 0.00 52.55 53.57 1ulo s ASP 22 Cb 0.00 -2.33 0.00 0.00 -0.30 0.00 0.00 42.92 40.29 1ulo s ASP 22 CO 0.00 -0.39 0.00 0.61 -0.17 0.00 0.00 175.17 175.22 1ulo n GLY 23 N 4.28 -0.31 0.00 2.66 0.00 -1.26 -4.76 105.19 105.79 1ulo n GLY 23 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1ulo n GLY 23 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ulo n PRO 24 N -0.71 1.26 -4.02 1.61 -0.04 -1.26 -4.96 135.00 126.89 1ulo n PRO 24 Ca 0.00 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.24 1ulo n PRO 24 Cb 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.43 1ulo n PRO 24 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1ulo s LEU 25 N 0.00 4.13 -0.01 1.53 2.34 -1.26 -4.76 118.68 120.65 1ulo s LEU 25 Ca 0.00 -0.03 0.08 0.00 0.06 0.00 0.00 54.13 54.24 1ulo s LEU 25 Cb 0.00 -2.68 -0.02 0.00 -0.56 0.00 0.00 46.19 42.93 1ulo s LEU 25 CO 0.00 -0.04 -0.26 -0.62 -1.06 0.00 0.00 176.35 174.37 1ulo s ASP 26 N -3.78 3.06 0.00 1.48 2.15 -1.16 -5.01 116.67 113.40 1ulo s ASP 26 Ca 0.33 -0.48 0.00 0.00 0.43 0.00 0.00 52.55 52.83 1ulo s ASP 26 Cb -0.09 -0.33 0.00 0.00 -0.30 0.00 0.00 42.92 42.20 1ulo s ASP 26 CO 0.27 0.31 0.00 0.35 -0.17 0.00 0.00 175.17 175.94 1ulo n THR 27 N 2.37 0.00 -3.96 1.71 -2.24 -1.26 -2.39 114.28 108.51 1ulo n THR 27 Ca -0.16 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.32 1ulo n THR 27 Cb 0.51 -0.25 -0.04 0.00 -2.10 0.00 0.00 70.33 68.45 1ulo n THR 27 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1ulo n SER 28 N -0.64 -0.87 0.00 3.42 2.88 -1.26 -4.37 113.62 112.78 1ulo n SER 28 Ca 0.00 -1.01 0.00 0.00 -1.33 0.00 0.00 58.87 56.53 1ulo n SER 28 Cb 0.00 -1.23 0.00 0.00 -0.75 0.00 0.00 64.21 62.23 1ulo n SER 28 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1ulo n THR 29 N -3.95 0.00 0.00 2.46 5.66 -1.26 -5.00 114.28 112.19 1ulo n THR 29 Ca -0.19 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.81 1ulo n THR 29 Cb 0.50 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.28 1ulo n THR 29 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ulo n GLY 30 N -0.30 1.55 3.20 1.09 0.00 -1.18 -4.80 105.19 104.75 1ulo n GLY 30 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1ulo n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ulo s ALA 31 N -1.73 -0.86 -0.69 4.61 0.00 -1.25 -3.13 121.76 118.70 1ulo s ALA 31 Ca 0.00 1.23 -0.27 0.00 0.00 0.00 0.00 51.96 52.92 1ulo s ALA 31 Cb 0.00 -0.75 0.02 0.00 0.00 0.00 0.00 23.12 22.39 1ulo s ALA 31 CO 0.00 -0.22 1.40 -1.17 0.00 0.00 0.00 175.76 175.78 1ulo s LEU 32 N 1.01 3.21 -0.38 0.00 2.96 -0.30 -4.45 118.68 120.72 1ulo s LEU 32 Ca -0.07 -0.22 -0.09 0.00 -0.22 0.00 0.00 54.13 53.54 1ulo s LEU 32 Cb -0.07 -2.61 0.06 0.00 0.50 0.00 0.00 46.19 44.06 1ulo s LEU 32 CO -0.08 -1.92 0.20 0.00 -1.32 0.00 0.00 176.35 173.23 1ulo s VAL 34 N 1.44 5.38 -0.68 0.00 -7.23 -0.66 -2.96 120.40 115.69 1ulo s VAL 34 Ca 0.01 -0.16 -0.21 0.00 -1.81 0.00 0.00 61.98 59.82 1ulo s VAL 34 Cb -0.21 -3.58 0.09 0.00 0.56 0.00 0.00 36.38 33.24 1ulo s VAL 34 CO 0.03 0.26 0.92 0.00 -0.31 0.00 0.00 175.10 176.00 1ulo s ALA 35 N -1.40 3.23 0.06 1.32 0.00 -1.26 -2.91 121.76 120.80 1ulo s ALA 35 Ca 0.31 -2.08 -0.28 0.00 0.00 0.00 0.00 51.96 49.90 1ulo s ALA 35 Cb -0.13 -3.80 -0.05 0.00 0.00 0.00 0.00 23.12 19.14 1ulo s ALA 35 CO 0.21 -2.69 0.88 0.08 0.00 0.00 0.00 175.76 174.24 1ulo s VAL 36 N 3.49 4.68 1.09 0.00 1.01 -0.28 -3.93 120.40 126.45 1ulo s VAL 36 Ca 0.21 1.88 -0.14 0.00 0.00 0.00 0.00 61.98 63.93 1ulo s VAL 36 Cb -0.17 -4.24 0.23 0.00 0.00 0.00 0.00 36.38 32.21 1ulo s VAL 36 CO 0.06 0.30 1.07 -2.16 0.00 0.00 0.00 175.10 174.37 1ulo s PRO 37 N 0.23 -0.28 0.04 2.72 0.04 -1.26 -2.40 135.00 134.09 1ulo s PRO 37 Ca 0.44 0.48 -0.33 0.00 0.04 0.00 0.00 61.00 61.64 1ulo s PRO 37 Cb -0.22 -1.66 -0.11 0.00 0.04 0.00 0.00 34.50 32.55 1ulo s PRO 37 CO 0.26 -3.20 1.83 0.00 0.04 0.00 0.00 177.00 175.93 1ulo n ALA 38 N -4.50 1.49 -1.69 8.56 0.00 -1.26 -2.10 120.51 121.02 1ulo n ALA 38 Ca 0.05 0.31 -0.01 0.00 0.00 0.00 0.00 53.44 53.80 1ulo n ALA 38 Cb 0.57 -2.53 -0.00 0.00 0.00 0.00 0.00 19.45 17.49 1ulo n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ulo n GLY 39 N 4.19 -0.19 3.55 0.00 0.00 0.46 -2.69 105.19 110.50 1ulo n GLY 39 Ca 0.20 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.10 1ulo n GLY 39 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ulo n SER 40 N -0.18 -0.64 -4.44 1.61 2.88 -0.89 -3.91 113.62 108.05 1ulo n SER 40 Ca -0.01 -0.35 -0.44 0.00 -1.33 0.00 0.00 58.87 56.75 1ulo n SER 40 Cb 0.24 -0.42 -0.04 0.00 -0.75 0.00 0.00 64.21 63.24 1ulo n SER 40 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ulo s ALA 41 N -4.20 3.22 0.00 -1.46 0.00 -1.09 -1.74 121.76 116.49 1ulo s ALA 41 Ca 0.09 -2.10 0.00 0.00 0.00 0.00 0.00 51.96 49.94 1ulo s ALA 41 Cb -0.05 -3.84 0.00 0.00 0.00 0.00 0.00 23.12 19.23 1ulo s ALA 41 CO 0.26 -2.74 0.00 0.00 0.00 0.00 0.00 175.76 173.28 1ulo n GLN 42 N 7.21 0.00 -0.30 0.00 10.64 -1.26 -4.93 117.38 128.75 1ulo n GLN 42 Ca 0.01 0.00 0.33 0.00 -1.83 0.00 0.00 57.00 55.51 1ulo n GLN 42 Cb 0.46 0.00 0.59 0.00 -0.86 0.00 0.00 30.24 30.43 1ulo n GLN 42 CO 0.00 0.00 0.00 0.10 -1.83 0.00 0.00 177.06 175.33 1ulo h TYR 43 N 0.00 0.00 0.00 2.61 -0.00 -2.00 -3.45 116.97 114.13 1ulo h TYR 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1ulo h TYR 43 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.73 1ulo h TYR 43 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.57 1ulo n GLY 44 N -1.74 3.14 3.96 0.10 0.00 -1.26 -5.01 105.19 104.37 1ulo n GLY 44 Ca 0.26 -1.33 -0.24 0.00 0.00 0.00 0.00 46.02 44.72 1ulo n GLY 44 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ulo s VAL 45 N 0.00 2.33 -0.94 1.61 1.01 -1.10 -4.78 120.40 118.52 1ulo s VAL 45 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.52 1ulo s VAL 45 Cb 0.00 -2.86 0.00 0.00 0.00 0.00 0.00 36.38 33.52 1ulo s VAL 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.71 1ulo n GLY 46 N -2.79 -1.41 3.25 4.51 0.00 -1.08 -0.86 105.19 106.82 1ulo n GLY 46 Ca 0.11 -1.04 -0.10 0.00 0.00 0.00 0.00 46.02 44.99 1ulo n GLY 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ulo s VAL 47 N -2.17 -0.15 0.02 1.61 1.01 0.60 -1.61 120.40 119.71 1ulo s VAL 47 Ca 0.00 0.12 0.08 0.00 0.00 0.00 0.00 61.98 62.17 1ulo s VAL 47 Cb 0.00 -0.60 -0.02 0.00 0.00 0.00 0.00 36.38 35.76 1ulo s VAL 47 CO 0.00 0.05 -0.23 0.68 0.00 0.00 0.00 175.10 175.60 1ulo s VAL 48 N 1.65 1.82 -0.36 2.92 -7.23 0.42 -1.63 120.40 117.98 1ulo s VAL 48 Ca -0.08 -1.13 -0.00 0.00 -1.81 0.00 0.00 61.98 58.96 1ulo s VAL 48 Cb -0.09 -1.54 0.12 0.00 0.56 0.00 0.00 36.38 35.43 1ulo s VAL 48 CO -0.12 0.37 0.17 -0.22 -0.31 0.00 0.00 175.10 174.99 1ulo s LEU 49 N -0.90 1.93 0.31 1.32 2.96 -1.18 -1.86 118.68 121.26 1ulo s LEU 49 Ca 0.09 -2.04 -0.28 0.00 -0.22 0.00 0.00 54.13 51.69 1ulo s LEU 49 Cb -0.09 -0.76 -0.09 0.00 0.50 0.00 0.00 46.19 45.74 1ulo s LEU 49 CO 0.01 -0.35 1.01 0.54 -1.32 0.00 0.00 176.35 176.24 1ulo s ASN 50 N 1.15 7.28 0.00 3.68 2.20 -1.26 -2.77 114.94 125.21 1ulo s ASN 50 Ca 0.14 2.03 0.00 0.00 -0.94 0.00 0.00 52.86 54.09 1ulo s ASN 50 Cb -0.21 -2.60 0.00 0.00 -2.00 0.00 0.00 41.25 36.44 1ulo s ASN 50 CO -0.13 -0.12 0.00 0.61 -2.94 0.00 0.00 177.10 174.53 1ulo n GLY 51 N 0.92 0.11 3.54 0.45 0.00 -1.20 -4.98 105.19 104.04 1ulo n GLY 51 Ca 0.01 -0.58 -0.26 0.00 0.00 0.00 0.00 46.02 45.19 1ulo n GLY 51 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ulo s VAL 52 N 0.00 2.21 -0.55 1.61 1.01 -1.13 -4.55 120.40 118.99 1ulo s VAL 52 Ca 0.00 -2.19 0.05 0.00 0.00 0.00 0.00 61.98 59.83 1ulo s VAL 52 Cb 0.00 -2.65 0.18 0.00 0.00 0.00 0.00 36.38 33.90 1ulo s VAL 52 CO 0.00 -0.20 0.44 0.00 0.00 0.00 0.00 175.10 175.34 1ulo n ALA 53 N -0.79 3.15 -2.67 5.51 0.00 -1.24 -3.75 120.51 120.72 1ulo n ALA 53 Ca -0.05 -3.83 -0.23 0.00 0.00 0.00 0.00 53.44 49.34 1ulo n ALA 53 Cb 0.64 -0.88 -0.06 0.00 0.00 0.00 0.00 19.45 19.14 1ulo n ALA 53 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ulo s ILE 54 N -0.79 3.70 -0.22 0.00 -1.09 -1.02 -4.89 121.20 116.88 1ulo s ILE 54 Ca 0.30 -1.68 -0.14 0.00 -2.23 0.00 0.00 60.65 56.89 1ulo s ILE 54 Cb 0.01 -3.06 0.07 0.00 -1.58 0.00 0.00 42.46 37.90 1ulo s ILE 54 CO -0.17 -0.32 0.55 -0.70 -1.23 0.00 0.00 174.94 173.07 1ulo s GLU 55 N -3.77 0.58 0.00 2.79 2.12 -1.22 -1.21 118.70 117.98 1ulo s GLU 55 Ca 0.33 0.96 0.00 0.00 0.36 0.00 0.00 54.97 56.62 1ulo s GLU 55 Cb -0.06 0.12 0.00 0.00 0.26 0.00 0.00 34.13 34.45 1ulo s GLU 55 CO 0.22 -0.14 0.00 -0.85 -0.54 0.00 0.00 175.26 173.96 1ulo n GLU 56 N 3.93 0.00 -2.78 4.30 0.28 0.49 -2.90 120.64 123.96 1ulo n GLU 56 Ca -0.20 0.00 -0.44 0.00 -0.16 0.00 0.00 57.16 56.37 1ulo n GLU 56 Cb 0.57 0.00 -0.00 0.00 1.43 0.00 0.00 31.44 33.44 1ulo n GLU 56 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1ulo s GLY 57 N 0.00 2.06 0.43 -1.84 0.00 -1.22 -2.05 107.32 104.70 1ulo s GLY 57 Ca 0.00 -3.16 0.07 0.00 0.00 0.00 0.00 44.72 41.64 1ulo s GLY 57 CO 0.00 2.36 0.34 -1.59 0.00 0.00 0.00 173.10 174.21 1ulo s THR 58 N 2.79 2.50 0.37 0.90 2.01 -0.41 -4.86 115.64 118.94 1ulo s THR 58 Ca 0.48 -1.43 -0.06 0.00 0.31 0.00 0.00 61.69 60.99 1ulo s THR 58 Cb 0.00 -2.94 -0.05 0.00 0.01 0.00 0.00 72.50 69.53 1ulo s THR 58 CO 0.04 0.00 0.66 -0.89 -0.69 0.00 0.00 174.62 173.74 1ulo s THR 59 N -2.53 4.94 -0.07 -0.82 2.01 -1.26 0.43 115.64 118.34 1ulo s THR 59 Ca 0.46 0.17 -0.29 0.00 0.31 0.00 0.00 61.69 62.34 1ulo s THR 59 Cb -0.01 -3.78 0.07 0.00 0.01 0.00 0.00 72.50 68.78 1ulo s THR 59 CO 0.26 -0.52 0.66 -0.31 -0.69 0.00 0.00 174.62 174.02 1ulo s TYR 60 N -2.34 -0.65 -0.21 4.92 2.02 -0.28 -3.68 117.35 117.14 1ulo s TYR 60 Ca 0.46 1.17 0.02 0.00 -0.37 0.00 0.00 57.07 58.35 1ulo s TYR 60 Cb -0.10 0.38 0.04 0.00 -0.40 0.00 0.00 41.96 41.87 1ulo s TYR 60 CO 0.34 -0.57 -0.15 0.99 -1.57 0.00 0.00 175.55 174.59 1ulo s THR 61 N -1.01 2.02 -0.21 -0.71 2.01 -0.87 -0.99 115.64 115.88 1ulo s THR 61 Ca -0.10 -1.19 -0.20 0.00 0.31 0.00 0.00 61.69 60.51 1ulo s THR 61 Cb -0.01 -1.98 -0.02 0.00 0.01 0.00 0.00 72.50 70.50 1ulo s THR 61 CO 0.09 0.28 0.61 -0.22 -0.69 0.00 0.00 174.62 174.68 1ulo s LEU 62 N 1.24 4.12 -0.16 4.42 2.96 -0.80 -3.98 118.68 126.48 1ulo s LEU 62 Ca -0.01 0.78 0.00 0.00 -0.22 0.00 0.00 54.13 54.68 1ulo s LEU 62 Cb -0.16 -2.85 0.03 0.00 0.50 0.00 0.00 46.19 43.71 1ulo s LEU 62 CO -0.09 -0.28 -0.12 -0.60 -1.32 0.00 0.00 176.35 173.94 1ulo s ARG 63 N 2.01 2.10 -0.18 1.98 3.52 -1.10 -2.86 118.95 124.41 1ulo s ARG 63 Ca 0.27 -0.61 -0.25 0.00 -0.13 0.00 0.00 55.73 55.01 1ulo s ARG 63 Cb -0.16 -2.15 0.06 0.00 -1.56 0.00 0.00 34.95 31.15 1ulo s ARG 63 CO 0.10 -0.31 0.64 1.52 -0.81 0.00 0.00 175.30 176.44 1ulo s TYR 64 N 1.49 -0.67 -0.38 5.12 -0.85 -0.79 -2.29 117.35 118.96 1ulo s TYR 64 Ca 0.03 1.50 0.03 0.00 -0.52 0.00 0.00 57.07 58.11 1ulo s TYR 64 Cb -0.14 0.28 0.11 0.00 0.38 0.00 0.00 41.96 42.59 1ulo s TYR 64 CO -0.10 -0.42 0.11 0.99 -1.52 0.00 0.00 175.55 174.61 1ulo s THR 65 N -0.18 2.44 0.13 -3.49 2.01 -1.26 0.23 115.64 115.53 1ulo s THR 65 Ca -0.04 -2.52 -0.01 0.00 0.31 0.00 0.00 61.69 59.42 1ulo s THR 65 Cb -0.03 -2.77 -0.04 0.00 0.01 0.00 0.00 72.50 69.66 1ulo s THR 65 CO 0.04 -0.65 0.31 0.00 -0.69 0.00 0.00 174.62 173.63 1ulo s ALA 66 N 0.67 3.90 -0.24 7.40 0.00 -0.87 -3.39 121.76 129.24 1ulo s ALA 66 Ca 0.12 -0.78 -0.03 0.00 0.00 0.00 0.00 51.96 51.27 1ulo s ALA 66 Cb -0.21 -1.95 0.13 0.00 0.00 0.00 0.00 23.12 21.09 1ulo s ALA 66 CO -0.06 0.66 0.35 0.99 0.00 0.00 0.00 175.76 177.70 1ulo s THR 67 N -1.67 -0.56 -0.16 0.00 2.01 -0.84 -2.51 115.64 111.91 1ulo s THR 67 Ca 0.38 -0.08 -0.10 0.00 0.31 0.00 0.00 61.69 62.19 1ulo s THR 67 Cb -0.12 -0.79 -0.05 0.00 0.01 0.00 0.00 72.50 71.55 1ulo s THR 67 CO 0.27 -0.14 0.17 0.00 -0.69 0.00 0.00 174.62 174.24 1ulo s ALA 68 N 2.51 3.73 0.59 7.40 0.00 -1.14 -2.20 121.76 132.66 1ulo s ALA 68 Ca 0.12 -0.61 0.31 0.00 0.00 0.00 0.00 51.96 51.78 1ulo s ALA 68 Cb -0.15 -2.16 1.26 0.00 0.00 0.00 0.00 23.12 22.07 1ulo s ALA 68 CO -0.15 0.31 1.58 1.03 0.00 0.00 0.00 175.76 178.53 1ulo h SER 69 N 6.04 0.00 -1.24 0.00 0.87 -1.77 -3.21 113.55 114.25 1ulo h SER 69 Ca -0.46 0.00 -0.56 0.00 -1.23 0.00 0.00 61.79 59.54 1ulo h SER 69 Cb 1.18 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 63.07 1ulo h SER 69 CO 0.70 0.00 -0.43 0.28 -0.53 0.00 0.00 176.83 176.85 1ulo s THR 70 N -4.59 2.14 -1.36 2.23 -1.32 -1.26 -4.22 115.64 107.24 1ulo s THR 70 Ca -0.04 -1.60 -0.06 0.00 -1.21 0.00 0.00 61.69 58.78 1ulo s THR 70 Cb 0.17 -2.73 0.09 0.00 -1.51 0.00 0.00 72.50 68.52 1ulo s THR 70 CO 0.57 0.00 2.42 -0.67 -2.21 0.00 0.00 174.62 174.73 1ulo n ASP 71 N -1.43 7.86 -4.78 8.08 2.03 -1.26 -3.32 116.55 123.73 1ulo n ASP 71 Ca -0.01 -3.06 -0.39 0.00 0.52 0.00 0.00 54.79 51.85 1ulo n ASP 71 Cb 0.64 -1.40 -0.06 0.00 -0.72 0.00 0.00 41.12 39.58 1ulo n ASP 71 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1ulo s VAL 72 N -0.53 4.31 -0.48 5.18 0.11 -1.23 -4.73 120.40 123.02 1ulo s VAL 72 Ca 0.55 1.75 0.03 0.00 -2.93 0.00 0.00 61.98 61.38 1ulo s VAL 72 Cb 0.18 -4.12 0.13 0.00 -1.53 0.00 0.00 36.38 31.03 1ulo s VAL 72 CO -0.08 0.43 0.24 -0.89 -3.33 0.00 0.00 175.10 171.47 1ulo s THR 73 N -1.27 2.09 0.00 5.04 2.01 -1.26 -0.72 115.64 121.53 1ulo s THR 73 Ca 0.40 -2.97 0.00 0.00 0.31 0.00 0.00 61.69 59.43 1ulo s THR 73 Cb -0.22 -2.46 0.00 0.00 0.01 0.00 0.00 72.50 69.83 1ulo s THR 73 CO 0.26 -0.83 0.00 1.33 -0.69 0.00 0.00 174.62 174.69 1ulo n VAL 74 N 3.33 0.00 -4.40 3.82 0.24 -1.19 -4.89 118.33 115.25 1ulo n VAL 74 Ca 0.06 0.00 -0.20 0.00 -2.04 0.00 0.00 64.34 62.17 1ulo n VAL 74 Cb 0.33 0.00 -0.15 0.00 -1.47 0.00 0.00 33.84 32.55 1ulo n VAL 74 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1ulo s ARG 75 N 2.32 0.85 0.04 7.34 0.52 -1.16 -3.16 118.95 125.69 1ulo s ARG 75 Ca 0.00 -0.33 0.01 0.00 -0.52 0.00 0.00 55.73 54.89 1ulo s ARG 75 Cb 0.00 -0.81 -0.02 0.00 0.52 0.00 0.00 34.95 34.63 1ulo s ARG 75 CO 0.00 0.17 -0.05 0.00 0.02 0.00 0.00 175.30 175.44 1ulo s ALA 76 N -0.06 0.37 0.00 2.13 0.00 -0.76 -1.46 121.76 121.98 1ulo s ALA 76 Ca 0.01 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.21 1ulo s ALA 76 Cb -0.06 0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.19 1ulo s ALA 76 CO -0.00 -0.13 0.00 1.47 0.00 0.00 0.00 175.76 177.09 1ulo n LEU 77 N 1.30 0.00 -3.97 0.00 -0.00 -0.95 -3.05 117.00 110.34 1ulo n LEU 77 Ca -0.22 0.00 -0.09 0.00 -0.00 0.00 0.00 56.01 55.70 1ulo n LEU 77 Cb 0.56 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.92 1ulo n LEU 77 CO 0.22 0.00 0.12 -0.69 -0.00 0.00 0.00 177.39 177.04 1ulo s VAL 78 N -4.00 0.02 0.00 1.47 1.01 -1.26 -2.41 120.40 115.23 1ulo s VAL 78 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 61.98 60.61 1ulo s VAL 78 Cb 0.00 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.31 1ulo s VAL 78 CO 0.00 -0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.63 1ulo n GLY 79 N -0.33 0.99 3.36 4.51 0.00 -1.16 -3.24 105.19 109.32 1ulo n GLY 79 Ca -0.04 -0.74 -0.32 0.00 0.00 0.00 0.00 46.02 44.92 1ulo n GLY 79 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ulo s GLN 80 N -0.56 2.45 -0.88 1.61 0.74 -1.12 -2.61 119.66 119.29 1ulo s GLN 80 Ca 0.00 -0.83 -0.17 0.00 0.05 0.00 0.00 55.36 54.41 1ulo s GLN 80 Cb 0.00 -2.23 0.15 0.00 1.10 0.00 0.00 33.01 32.04 1ulo s GLN 80 CO 0.00 0.51 1.00 -0.80 -0.55 0.00 0.00 175.29 175.45 1ulo s ASN 81 N -0.46 6.64 0.00 6.67 -0.87 -0.36 -4.54 114.94 122.02 1ulo s ASN 81 Ca 0.05 -2.19 0.00 0.00 -1.57 0.00 0.00 52.86 49.16 1ulo s ASN 81 Cb -0.12 -2.34 0.00 0.00 -0.02 0.00 0.00 41.25 38.77 1ulo s ASN 81 CO 0.01 -0.93 0.00 0.61 -2.57 0.00 0.00 177.10 174.22 1ulo n GLY 82 N 5.04 3.60 3.36 0.66 0.00 -1.26 -2.98 105.19 113.61 1ulo n GLY 82 Ca 0.19 -1.59 -0.35 0.00 0.00 0.00 0.00 46.02 44.27 1ulo n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ulo n ALA 83 N -0.70 -2.68 1.66 4.61 0.00 -1.26 -1.36 120.51 120.78 1ulo n ALA 83 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.98 1ulo n ALA 83 Cb 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 19.45 17.75 1ulo n ALA 83 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1ulo n PRO 84 N -0.54 0.95 -1.48 0.00 -0.04 -1.26 -4.76 135.00 127.87 1ulo n PRO 84 Ca 0.07 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.58 1ulo n PRO 84 Cb 0.52 -1.12 -0.03 0.00 -0.04 0.00 0.00 33.50 32.83 1ulo n PRO 84 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ulo n TYR 85 N -0.36 -4.01 -3.15 0.54 4.01 -0.47 -5.04 117.16 108.67 1ulo n TYR 85 Ca 0.00 2.19 0.05 0.00 -0.16 0.00 0.00 57.90 59.98 1ulo n TYR 85 Cb 0.06 -3.47 -0.03 0.00 -0.31 0.00 0.00 39.34 35.59 1ulo n TYR 85 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1ulo s GLY 86 N -5.91 0.09 0.05 2.72 0.00 -1.26 -4.92 107.32 98.09 1ulo s GLY 86 Ca 0.00 3.39 -0.11 0.00 0.00 0.00 0.00 44.72 48.00 1ulo s GLY 86 CO 0.00 3.81 0.38 -0.51 0.00 0.00 0.00 173.10 176.78 1ulo s THR 87 N 2.67 5.11 -0.00 0.90 -4.23 -1.26 -2.79 115.64 116.04 1ulo s THR 87 Ca -0.07 0.52 0.00 0.00 -1.18 0.00 0.00 61.69 60.95 1ulo s THR 87 Cb -0.05 -3.64 -0.00 0.00 1.34 0.00 0.00 72.50 70.14 1ulo s THR 87 CO -0.09 0.38 0.00 1.33 -0.54 0.00 0.00 174.62 175.70 1ulo n VAL 88 N 1.19 0.00 -4.71 2.29 0.24 -1.20 -4.79 118.33 111.35 1ulo n VAL 88 Ca -0.10 -0.02 -0.31 0.00 -2.04 0.00 0.00 64.34 61.87 1ulo n VAL 88 Cb 0.52 0.51 -0.13 0.00 -1.47 0.00 0.00 33.84 33.28 1ulo n VAL 88 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1ulo s LEU 89 N -2.97 2.59 -0.47 1.34 1.02 -1.25 -4.82 118.68 114.11 1ulo s LEU 89 Ca -0.00 -0.41 0.06 0.00 0.02 0.00 0.00 54.13 53.80 1ulo s LEU 89 Cb 0.00 -1.51 0.18 0.00 0.02 0.00 0.00 46.19 44.88 1ulo s LEU 89 CO 0.00 0.27 0.57 -0.62 0.02 0.00 0.00 176.35 176.59 1ulo s ASP 90 N -1.33 -0.30 0.27 2.29 2.15 -1.26 -4.08 116.67 114.41 1ulo s ASP 90 Ca 0.14 -2.24 -0.00 0.00 0.43 0.00 0.00 52.55 50.88 1ulo s ASP 90 Cb -0.10 0.97 -0.03 0.00 -0.30 0.00 0.00 42.92 43.46 1ulo s ASP 90 CO 0.04 -0.10 0.28 0.42 -0.17 0.00 0.00 175.17 175.64 1ulo s THR 91 N 0.57 0.00 -0.23 1.71 -4.23 -1.17 -5.07 115.64 107.23 1ulo s THR 91 Ca 0.31 -1.86 0.02 0.00 -1.18 0.00 0.00 61.69 58.98 1ulo s THR 91 Cb 0.01 -2.49 0.04 0.00 1.34 0.00 0.00 72.50 71.40 1ulo s THR 91 CO -0.11 0.00 -0.14 -0.44 -0.54 0.00 0.00 174.62 173.39 1ulo s SER 92 N -3.22 3.92 -0.57 3.99 0.01 -1.26 -1.83 113.70 114.73 1ulo s SER 92 Ca 0.36 -1.07 -0.27 0.00 1.31 0.00 0.00 55.95 56.28 1ulo s SER 92 Cb 0.03 -1.53 -0.01 0.00 0.21 0.00 0.00 66.02 64.72 1ulo s SER 92 CO 0.18 -0.11 1.76 -2.16 0.41 0.00 0.00 173.24 173.32 1ulo s PRO 93 N 1.19 2.86 0.47 12.44 0.04 -1.19 -4.88 135.00 145.93 1ulo s PRO 93 Ca -0.03 0.67 -0.21 0.00 0.04 0.00 0.00 61.00 61.48 1ulo s PRO 93 Cb -0.17 -4.31 -0.09 0.00 0.04 0.00 0.00 34.50 29.97 1ulo s PRO 93 CO -0.08 -2.46 1.04 0.00 0.04 0.00 0.00 177.00 175.54 1ulo s ALA 94 N 8.16 2.90 0.19 8.56 0.00 -1.26 -3.20 121.76 137.12 1ulo s ALA 94 Ca 0.65 0.63 0.01 0.00 0.00 0.00 0.00 51.96 53.25 1ulo s ALA 94 Cb -0.14 -3.26 -0.05 0.00 0.00 0.00 0.00 23.12 19.68 1ulo s ALA 94 CO 0.23 -0.30 0.05 -0.51 0.00 0.00 0.00 175.76 175.22 1ulo s LEU 95 N -3.36 1.83 0.00 0.00 1.43 0.10 -4.94 118.68 113.75 1ulo s LEU 95 Ca 0.66 -1.26 -0.17 0.00 -1.03 0.00 0.00 54.13 52.33 1ulo s LEU 95 Cb -0.17 0.07 0.06 0.00 0.03 0.00 0.00 46.19 46.18 1ulo s LEU 95 CO 0.21 -0.67 0.84 1.07 0.23 0.00 0.00 176.35 178.03 1ulo n THR 96 N -0.28 0.00 0.68 5.49 5.66 -1.21 -3.58 114.28 121.03 1ulo n THR 96 Ca -0.04 -0.67 0.07 0.00 -3.05 0.00 0.00 64.05 60.36 1ulo n THR 96 Cb 0.64 0.78 0.36 0.00 -1.55 0.00 0.00 70.33 70.56 1ulo n THR 96 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1ulo n SER 97 N -1.33 0.00 -4.85 1.09 2.88 -1.21 -2.88 113.62 107.31 1ulo n SER 97 Ca -0.04 0.06 -0.22 0.00 -1.33 0.00 0.00 58.87 57.34 1ulo n SER 97 Cb 0.53 -0.27 -0.04 0.00 -0.75 0.00 0.00 64.21 63.68 1ulo n SER 97 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1ulo s GLU 98 N -2.55 2.42 0.08 -1.46 2.02 -1.26 -4.97 118.70 112.98 1ulo s GLU 98 Ca 0.14 -1.67 -0.31 0.00 0.02 0.00 0.00 54.97 53.15 1ulo s GLU 98 Cb 0.09 -2.25 -0.06 0.00 0.10 0.00 0.00 34.13 32.01 1ulo s GLU 98 CO 0.21 -0.23 1.25 -1.25 0.02 0.00 0.00 175.26 175.26 1ulo s PRO 99 N -4.10 4.40 -0.48 0.39 0.04 -1.26 -4.67 135.00 129.32 1ulo s PRO 99 Ca 0.45 1.85 0.04 0.00 0.04 0.00 0.00 61.00 63.38 1ulo s PRO 99 Cb -0.01 -3.32 0.12 0.00 0.04 0.00 0.00 34.50 31.33 1ulo s PRO 99 CO 0.26 -0.30 0.22 0.50 0.04 0.00 0.00 177.00 177.72 1ulo s ARG 100 N 1.06 1.89 0.57 4.56 3.52 -1.04 -5.03 118.95 124.48 1ulo s ARG 100 Ca 0.60 -2.46 -0.17 0.00 -0.13 0.00 0.00 55.73 53.57 1ulo s ARG 100 Cb -0.31 -3.31 -0.05 0.00 -1.56 0.00 0.00 34.95 29.72 1ulo s ARG 100 CO 0.29 -1.08 1.06 -0.65 -0.81 0.00 0.00 175.30 174.12 1ulo s GLN 101 N -0.03 3.40 -0.03 5.12 -0.21 -1.26 -2.04 119.66 124.60 1ulo s GLN 101 Ca 0.16 1.29 0.01 0.00 0.02 0.00 0.00 55.36 56.84 1ulo s GLN 101 Cb -0.24 -2.04 0.02 0.00 1.00 0.00 0.00 33.01 31.75 1ulo s GLN 101 CO -0.02 -0.76 -0.03 0.08 -2.12 0.00 0.00 175.29 172.45 1ulo s VAL 102 N -2.27 0.35 -0.22 1.09 1.01 0.14 -4.90 120.40 115.59 1ulo s VAL 102 Ca 0.66 -0.05 -0.04 0.00 0.00 0.00 0.00 61.98 62.55 1ulo s VAL 102 Cb -0.17 -0.39 0.12 0.00 0.00 0.00 0.00 36.38 35.94 1ulo s VAL 102 CO 0.32 0.16 0.37 -0.89 0.00 0.00 0.00 175.10 175.07 1ulo s THR 103 N 0.73 -0.59 0.06 3.92 2.01 -1.25 -1.89 115.64 118.63 1ulo s THR 103 Ca -0.08 0.00 -0.07 0.00 0.31 0.00 0.00 61.69 61.84 1ulo s THR 103 Cb -0.12 -0.75 -0.01 0.00 0.01 0.00 0.00 72.50 71.63 1ulo s THR 103 CO -0.01 -0.07 0.15 -1.61 -0.69 0.00 0.00 174.62 172.39 1ulo s GLU 104 N 2.54 0.73 -0.36 4.92 2.02 -1.14 -4.99 118.70 122.43 1ulo s GLU 104 Ca 0.09 -0.88 -0.02 0.00 0.02 0.00 0.00 54.97 54.18 1ulo s GLU 104 Cb -0.15 0.29 0.08 0.00 0.10 0.00 0.00 34.13 34.46 1ulo s GLU 104 CO -0.15 -0.21 0.10 0.99 0.02 0.00 0.00 175.26 176.02 1ulo s THR 105 N -3.34 3.10 0.15 3.63 2.01 -1.26 -1.91 115.64 118.03 1ulo s THR 105 Ca 0.01 -1.77 0.06 0.00 0.31 0.00 0.00 61.69 60.31 1ulo s THR 105 Cb 0.03 -2.99 -0.04 0.00 0.01 0.00 0.00 72.50 69.51 1ulo s THR 105 CO -0.08 -0.42 0.03 0.72 -0.69 0.00 0.00 174.62 174.18 1ulo s PHE 106 N 1.18 2.94 -0.70 4.92 -0.71 -0.16 -4.89 117.98 120.56 1ulo s PHE 106 Ca 0.03 -0.09 -0.19 0.00 -1.04 0.00 0.00 56.93 55.64 1ulo s PHE 106 Cb -0.21 -1.44 0.11 0.00 -1.21 0.00 0.00 43.02 40.27 1ulo s PHE 106 CO -0.03 0.51 0.85 0.99 -1.34 0.00 0.00 175.22 176.20 1ulo s THR 107 N -1.64 4.77 -0.44 -4.49 2.01 -1.26 -1.12 115.64 113.47 1ulo s THR 107 Ca 0.28 -1.13 -0.28 0.00 0.31 0.00 0.00 61.69 60.87 1ulo s THR 107 Cb -0.10 -4.59 -0.08 0.00 0.01 0.00 0.00 72.50 67.74 1ulo s THR 107 CO 0.20 -1.27 2.36 0.00 -0.69 0.00 0.00 174.62 175.22 1ulo n ALA 108 N 6.44 1.06 -1.70 7.40 0.00 0.17 -4.73 120.51 129.16 1ulo n ALA 108 Ca 0.01 -0.58 -0.32 0.00 0.00 0.00 0.00 53.44 52.54 1ulo n ALA 108 Cb 0.45 -2.97 -0.03 0.00 0.00 0.00 0.00 19.45 16.90 1ulo n ALA 108 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ulo n SER 109 N 13.56 6.95 0.00 0.00 3.41 -1.26 -1.29 113.62 134.99 1ulo n SER 109 Ca 0.38 -3.29 0.00 0.00 -0.26 0.00 0.00 58.87 55.70 1ulo n SER 109 Cb 0.44 -1.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.15 1ulo n SER 109 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ulo n ALA 110 N 0.83 0.00 -3.48 7.33 0.00 -0.87 -4.77 120.51 119.55 1ulo n ALA 110 Ca 0.52 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.86 1ulo n ALA 110 Cb 0.44 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.80 1ulo n ALA 110 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ulo s THR 111 N -2.12 -0.59 -0.75 0.00 2.01 -1.26 0.19 115.64 113.11 1ulo s THR 111 Ca 0.00 0.03 -0.03 0.00 0.31 0.00 0.00 61.69 62.01 1ulo s THR 111 Cb 0.00 -0.73 0.19 0.00 0.01 0.00 0.00 72.50 71.97 1ulo s THR 111 CO 0.00 -0.04 0.61 -0.31 -0.69 0.00 0.00 174.62 174.18 1ulo s TYR 112 N 2.55 3.63 0.27 4.92 2.02 -0.35 -4.71 117.35 125.67 1ulo s TYR 112 Ca 0.07 -2.83 -0.29 0.00 -0.37 0.00 0.00 57.07 53.65 1ulo s TYR 112 Cb -0.14 -3.24 -0.09 0.00 -0.40 0.00 0.00 41.96 38.09 1ulo s TYR 112 CO -0.14 -0.80 1.21 -1.25 -1.57 0.00 0.00 175.55 173.01 1ulo s PRO 113 N -0.65 4.49 -0.95 -1.71 0.04 -1.26 -2.44 135.00 132.52 1ulo s PRO 113 Ca 0.22 1.99 -0.06 0.00 0.04 0.00 0.00 61.00 63.18 1ulo s PRO 113 Cb -0.14 -3.16 -0.03 0.00 0.04 0.00 0.00 34.50 31.21 1ulo s PRO 113 CO -0.08 -0.04 2.89 0.00 0.04 0.00 0.00 177.00 179.81 1ulo n ALA 114 N 1.52 6.86 -3.41 8.56 0.00 -1.25 -3.94 120.51 128.86 1ulo n ALA 114 Ca 0.01 -3.25 -0.22 0.00 0.00 0.00 0.00 53.44 49.99 1ulo n ALA 114 Cb 0.43 -2.71 -0.10 0.00 0.00 0.00 0.00 19.45 17.07 1ulo n ALA 114 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ulo s THR 115 N -0.02 -0.15 -0.39 0.00 2.01 -1.26 -5.06 115.64 110.76 1ulo s THR 115 Ca 0.62 -1.21 -0.29 0.00 0.31 0.00 0.00 61.69 61.12 1ulo s THR 115 Cb 0.25 -0.86 0.00 0.00 0.01 0.00 0.00 72.50 71.90 1ulo s THR 115 CO -0.09 -0.73 1.55 -2.16 -0.69 0.00 0.00 174.62 172.49 1ulo s PRO 116 N 1.38 3.48 0.05 4.92 0.04 -1.26 -4.41 135.00 139.20 1ulo s PRO 116 Ca 0.17 1.09 0.01 0.00 0.04 0.00 0.00 61.00 62.31 1ulo s PRO 116 Cb -0.18 -4.09 -0.00 0.00 0.04 0.00 0.00 34.50 30.27 1ulo s PRO 116 CO -0.05 -1.68 0.03 0.00 0.04 0.00 0.00 177.00 175.34 1ulo n ALA 117 N 9.36 0.09 0.10 8.56 0.00 -0.36 -5.01 120.51 133.25 1ulo n ALA 117 Ca 0.19 -0.29 -0.14 0.00 0.00 0.00 0.00 53.44 53.20 1ulo n ALA 117 Cb 0.48 0.22 -0.12 0.00 0.00 0.00 0.00 19.45 20.02 1ulo n ALA 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ulo h ALA 118 N 1.13 0.18 0.00 0.00 0.00 -2.00 -3.37 119.26 115.19 1ulo h ALA 118 Ca -0.04 -0.85 -0.04 0.00 0.00 0.00 0.00 54.91 53.98 1ulo h ALA 118 Cb 0.17 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1ulo h ALA 118 CO 0.06 0.97 -1.45 -3.47 0.00 0.00 0.00 179.25 175.36 1ulo n ASP 119 N -3.55 2.95 -4.28 0.00 -0.08 -1.26 -4.88 116.55 105.44 1ulo n ASP 119 Ca -0.07 0.00 -0.44 0.00 -1.51 0.00 0.00 54.79 52.77 1ulo n ASP 119 Cb 0.98 1.25 -0.07 0.00 2.34 0.00 0.00 41.12 45.62 1ulo n ASP 119 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1ulo s ASP 120 N -3.27 5.99 0.00 1.67 1.01 -1.26 -5.04 116.67 115.77 1ulo s ASP 120 Ca -0.03 -1.77 0.00 0.00 0.71 0.00 0.00 52.55 51.46 1ulo s ASP 120 Cb 0.05 -2.13 0.00 0.00 1.01 0.00 0.00 42.92 41.85 1ulo s ASP 120 CO 0.37 -0.76 0.00 -0.81 0.21 0.00 0.00 175.17 174.17 1ulo n PRO 121 N 5.11 1.04 0.00 8.23 -0.04 -1.26 -1.23 135.00 146.86 1ulo n PRO 121 Ca -0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 1ulo n PRO 121 Cb 0.41 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.87 1ulo n PRO 121 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1ulo n GLU 122 N 0.00 0.00 -3.52 0.54 0.00 -1.16 -4.45 120.64 112.05 1ulo n GLU 122 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 57.16 57.00 1ulo n GLU 122 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 31.44 31.39 1ulo n GLU 122 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1ulo s GLY 123 N 0.00 -0.52 0.00 -1.84 0.00 -1.25 -1.22 107.32 102.49 1ulo s GLY 123 Ca 0.00 1.40 0.00 0.00 0.00 0.00 0.00 44.72 46.12 1ulo s GLY 123 CO 0.00 0.90 0.00 0.61 0.00 0.00 0.00 173.10 174.61 1ulo n GLN 124 N 0.75 0.00 -4.98 2.90 10.64 -1.07 -2.83 117.38 122.79 1ulo n GLN 124 Ca -0.17 0.00 -0.31 0.00 -1.83 0.00 0.00 57.00 54.69 1ulo n GLN 124 Cb 0.58 0.00 -0.14 0.00 -0.86 0.00 0.00 30.24 29.82 1ulo n GLN 124 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 1ulo s ILE 125 N -1.61 2.43 -0.18 -0.39 1.01 -1.11 -2.97 121.20 118.37 1ulo s ILE 125 Ca 0.00 -1.13 -0.01 0.00 0.00 0.00 0.00 60.65 59.51 1ulo s ILE 125 Cb 0.00 -1.93 0.00 0.00 0.01 0.00 0.00 42.46 40.54 1ulo s ILE 125 CO 0.00 0.47 -0.13 0.00 0.00 0.00 0.00 174.94 175.28 1ulo s ALA 126 N -0.76 2.55 -0.49 9.38 0.00 -1.01 -3.10 121.76 128.33 1ulo s ALA 126 Ca 0.12 -1.14 0.03 0.00 0.00 0.00 0.00 51.96 50.97 1ulo s ALA 126 Cb -0.10 -1.36 0.13 0.00 0.00 0.00 0.00 23.12 21.78 1ulo s ALA 126 CO 0.01 -0.26 0.23 -0.06 0.00 0.00 0.00 175.76 175.69 1ulo s PHE 127 N 1.17 3.36 -0.36 0.00 0.40 -0.65 -2.23 117.98 119.68 1ulo s PHE 127 Ca 0.02 -3.06 -0.23 0.00 -0.60 0.00 0.00 56.93 53.06 1ulo s PHE 127 Cb -0.14 -2.91 0.01 0.00 0.51 0.00 0.00 43.02 40.49 1ulo s PHE 127 CO -0.05 -0.81 0.77 -0.65 0.70 0.00 0.00 175.22 175.18 1ulo s GLN 128 N 0.06 3.77 -0.51 0.44 -0.21 -0.54 -0.29 119.66 122.37 1ulo s GLN 128 Ca 0.15 0.32 0.03 0.00 0.02 0.00 0.00 55.36 55.88 1ulo s GLN 128 Cb -0.24 -3.80 0.43 0.00 1.00 0.00 0.00 33.01 30.41 1ulo s GLN 128 CO -0.02 -0.82 1.55 1.28 -2.12 0.00 0.00 175.29 175.15 1ulo n LEU 129 N 6.37 6.09 -4.44 2.90 4.77 -0.03 -3.00 117.00 129.66 1ulo n LEU 129 Ca 0.03 -4.71 -0.44 0.00 -0.03 0.00 0.00 56.01 50.86 1ulo n LEU 129 Cb 0.48 -0.66 -0.08 0.00 -2.33 0.00 0.00 43.42 40.83 1ulo n LEU 129 CO 0.53 1.89 0.08 -0.83 -1.33 0.00 0.00 177.39 177.74 1ulo s GLY 130 N -2.70 1.95 -0.31 -0.72 0.00 -1.05 -2.72 107.32 101.78 1ulo s GLY 130 Ca 0.55 -1.82 -0.03 0.00 0.00 0.00 0.00 44.72 43.41 1ulo s GLY 130 CO -0.08 1.13 0.13 0.61 0.00 0.00 0.00 173.10 174.88 1ulo n GLY 131 N 5.17 -3.50 2.06 0.20 0.00 -0.71 -4.86 105.19 103.54 1ulo n GLY 131 Ca -0.10 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1ulo n GLY 131 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ulo n PHE 132 N 0.41 -2.84 -2.43 1.61 3.72 -1.26 -5.04 117.46 111.64 1ulo n PHE 132 Ca 0.03 0.68 -0.26 0.00 -0.05 0.00 0.00 57.45 57.85 1ulo n PHE 132 Cb 0.10 1.43 0.15 0.00 -0.94 0.00 0.00 39.48 40.21 1ulo n PHE 132 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1ulo s SER 133 N -3.99 3.80 0.00 4.37 0.15 -1.26 -4.69 113.70 112.08 1ulo s SER 133 Ca 0.00 -0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.33 1ulo s SER 133 Cb 0.00 0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.45 1ulo s SER 133 CO 0.00 -2.25 0.00 0.00 1.20 0.00 0.00 173.24 172.19 1ulo n ALA 134 N -3.17 0.00 -1.22 5.45 0.00 -1.26 -3.83 120.51 116.48 1ulo n ALA 134 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.32 1ulo n ALA 134 Cb 0.60 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.23 1ulo n ALA 134 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ulo s ASP 135 N -1.00 2.47 0.29 0.00 1.11 -1.26 0.17 116.67 118.45 1ulo s ASP 135 Ca 0.00 1.04 -0.30 0.00 0.18 0.00 0.00 52.55 53.47 1ulo s ASP 135 Cb 0.00 -1.62 -0.12 0.00 1.07 0.00 0.00 42.92 42.25 1ulo s ASP 135 CO 0.00 -3.21 1.55 0.00 1.18 0.00 0.00 175.17 174.68 1ulo n ALA 136 N -4.21 2.25 -3.00 5.23 0.00 -1.26 -3.38 120.51 116.14 1ulo n ALA 136 Ca 0.06 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1ulo n ALA 136 Cb 0.58 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.61 1ulo n ALA 136 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 1ulo n TRP 137 N 1.89 0.00 -3.85 0.00 2.14 -1.01 -4.89 117.44 111.72 1ulo n TRP 137 Ca 0.08 0.00 -0.07 0.00 2.07 0.00 0.00 57.50 59.58 1ulo n TRP 137 Cb 0.36 0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 30.84 1ulo n TRP 137 CO 0.00 0.00 0.00 0.99 2.07 0.00 0.00 177.69 180.75 1ulo s THR 138 N -1.03 0.00 -0.07 -1.67 2.01 -1.26 -1.13 115.64 112.49 1ulo s THR 138 Ca 0.00 -0.98 0.03 0.00 0.31 0.00 0.00 61.69 61.05 1ulo s THR 138 Cb 0.00 -2.07 0.01 0.00 0.01 0.00 0.00 72.50 70.45 1ulo s THR 138 CO 0.00 0.00 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.02 1ulo s LEU 139 N -2.93 1.76 -0.37 4.42 1.02 -1.15 -3.76 118.68 117.68 1ulo s LEU 139 Ca 0.11 -0.35 0.02 0.00 0.02 0.00 0.00 54.13 53.93 1ulo s LEU 139 Cb -0.06 -0.95 0.11 0.00 0.02 0.00 0.00 46.19 45.31 1ulo s LEU 139 CO 0.07 0.07 0.13 0.00 0.02 0.00 0.00 176.35 176.65 1ulo n LEU 141 N 4.22 0.00 0.00 0.00 4.77 -0.79 -1.99 117.00 123.21 1ulo n LEU 141 Ca 0.03 -1.23 0.00 0.00 -0.03 0.00 0.00 56.01 54.77 1ulo n LEU 141 Cb 0.39 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1ulo n LEU 141 CO 0.19 -0.85 0.00 -0.90 -1.33 0.00 0.00 177.39 174.50 1ulo n ASP 142 N -3.05 0.00 0.00 -1.43 5.68 -1.22 -1.15 116.55 115.39 1ulo n ASP 142 Ca 0.10 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.39 1ulo n ASP 142 Cb 0.36 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.34 1ulo n ASP 142 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1ulo n ASP 143 N 0.00 0.00 -4.44 -1.12 -0.08 -1.24 -4.16 116.55 105.52 1ulo n ASP 143 Ca 0.00 0.00 -0.38 0.00 -1.51 0.00 0.00 54.79 52.90 1ulo n ASP 143 Cb 0.00 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 43.34 1ulo n ASP 143 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1ulo s VAL 144 N 0.00 4.50 -0.02 5.18 1.01 -0.04 -2.88 120.40 128.14 1ulo s VAL 144 Ca 0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 61.59 1ulo s VAL 144 Cb 0.00 -3.26 0.02 0.00 0.00 0.00 0.00 36.38 33.15 1ulo s VAL 144 CO 0.00 0.13 0.04 0.00 0.00 0.00 0.00 175.10 175.27 1ulo s ALA 145 N 1.61 0.00 -0.05 5.51 0.00 -0.97 -3.52 121.76 124.34 1ulo s ALA 145 Ca 0.05 0.31 0.02 0.00 0.00 0.00 0.00 51.96 52.33 1ulo s ALA 145 Cb -0.17 -0.23 0.01 0.00 0.00 0.00 0.00 23.12 22.74 1ulo s ALA 145 CO 0.05 -0.09 -0.09 -1.17 0.00 0.00 0.00 175.76 174.46 1ulo s LEU 146 N 0.85 1.57 0.11 0.00 2.96 -1.26 -2.72 118.68 120.19 1ulo s LEU 146 Ca -0.07 -0.22 -0.19 0.00 -0.22 0.00 0.00 54.13 53.44 1ulo s LEU 146 Cb -0.10 -0.64 0.04 0.00 0.50 0.00 0.00 46.19 45.99 1ulo s LEU 146 CO -0.03 0.01 0.46 -0.62 -1.32 0.00 0.00 176.35 174.85 1ulo s ASP 147 N 0.65 -0.34 0.15 3.68 -1.08 -1.26 -4.86 116.67 113.62 1ulo s ASP 147 Ca -0.11 -0.14 -0.05 0.00 -0.52 0.00 0.00 52.55 51.73 1ulo s ASP 147 Cb -0.14 0.49 -0.06 0.00 -1.46 0.00 0.00 42.92 41.76 1ulo s ASP 147 CO 0.02 -0.83 0.39 -0.94 0.52 0.00 0.00 175.17 174.33 1ulo s SER 148 N -2.57 6.49 -0.69 -0.34 1.04 -1.26 -2.05 113.70 114.34 1ulo s SER 148 Ca 0.00 0.60 -0.26 0.00 0.48 0.00 0.00 55.95 56.78 1ulo s SER 148 Cb 0.01 -2.10 -0.09 0.00 0.10 0.00 0.00 66.02 63.94 1ulo s SER 148 CO -0.09 0.04 2.31 -0.70 0.98 0.00 0.00 173.24 175.77 1ulo s GLU 149 N -2.71 1.96 -0.21 4.02 2.12 -1.24 -4.71 118.70 117.93 1ulo s GLU 149 Ca 0.41 0.72 0.15 0.00 0.36 0.00 0.00 54.97 56.62 1ulo s GLU 149 Cb -0.12 -4.72 0.61 0.00 0.26 0.00 0.00 34.13 30.16 1ulo s GLU 149 CO 0.25 -3.79 1.52 1.55 -0.54 0.00 0.00 175.26 174.24 1ulo n VAL 150 N 8.29 2.45 -3.58 3.70 3.14 -1.26 -4.94 118.33 126.12 1ulo n VAL 150 Ca 0.40 -1.81 -0.38 0.00 -2.96 0.00 0.00 64.34 59.59 1ulo n VAL 150 Cb 0.48 -0.27 -0.11 0.00 -1.06 0.00 0.00 33.84 32.88 1ulo n VAL 150 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 1ulo s GLU 151 N -2.85 3.95 0.00 1.45 4.04 -1.26 -5.31 118.70 118.72 1ulo s GLU 151 Ca 0.46 -0.31 0.00 0.00 0.04 0.00 0.00 54.97 55.16 1ulo s GLU 151 Cb 0.37 -3.66 0.00 0.00 0.02 0.00 0.00 34.13 30.86 1ulo s GLU 151 CO 0.10 -0.18 0.00 -0.11 -1.84 0.00 0.00 175.26 173.23