#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cx1 n SER 2 N 0.00 0.00 -5.00 0.00 2.88 -1.26 -5.12 113.62 105.11 1cx1 n SER 2 Ca 0.00 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.36 1cx1 n SER 2 Cb 0.00 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.49 1cx1 n SER 2 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1cx1 s LEU 3 N 0.00 3.41 0.01 2.46 1.02 -1.26 -4.98 118.68 119.34 1cx1 s LEU 3 Ca 0.00 -0.53 -0.31 0.00 0.02 0.00 0.00 54.13 53.31 1cx1 s LEU 3 Cb 0.00 -2.29 -0.16 0.00 0.02 0.00 0.00 46.19 43.76 1cx1 s LEU 3 CO 0.00 -1.04 0.82 -0.67 0.02 0.00 0.00 176.35 175.47 1cx1 n ASP 4 N -2.07 -0.09 -0.23 2.29 2.03 -1.26 -4.40 116.55 112.82 1cx1 n ASP 4 Ca 0.11 0.92 0.00 0.00 0.52 0.00 0.00 54.79 56.34 1cx1 n ASP 4 Cb 0.60 -0.73 0.00 0.00 -0.72 0.00 0.00 41.12 40.27 1cx1 n ASP 4 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1cx1 n SER 5 N 1.23 -1.40 -3.66 1.67 7.64 -1.26 -4.74 113.62 113.09 1cx1 n SER 5 Ca 0.16 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.89 1cx1 n SER 5 Cb 0.07 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.19 1cx1 n SER 5 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1cx1 s GLU 6 N 0.00 0.74 -1.08 1.43 1.03 -1.26 -4.89 118.70 114.67 1cx1 s GLU 6 Ca 0.00 0.58 -0.21 0.00 0.03 0.00 0.00 54.97 55.37 1cx1 s GLU 6 Cb 0.00 0.35 0.07 0.00 -0.80 0.00 0.00 34.13 33.75 1cx1 s GLU 6 CO 0.00 -0.14 1.47 0.08 -1.33 0.00 0.00 175.26 175.35 1cx1 s VAL 7 N -0.16 4.12 -0.75 1.83 1.01 -1.26 -4.94 120.40 120.25 1cx1 s VAL 7 Ca -0.04 -1.21 -0.22 0.00 0.00 0.00 0.00 61.98 60.51 1cx1 s VAL 7 Cb -0.03 -5.05 0.08 0.00 0.00 0.00 0.00 36.38 31.38 1cx1 s VAL 7 CO 0.03 -1.89 1.05 -0.70 0.00 0.00 0.00 175.10 173.59 1cx1 s GLU 8 N 4.36 3.26 0.38 2.72 2.56 -1.26 -4.36 118.70 126.35 1cx1 s GLU 8 Ca 0.46 -1.04 0.06 0.00 0.00 0.00 0.00 54.97 54.45 1cx1 s GLU 8 Cb 0.00 -4.46 0.77 0.00 2.00 0.00 0.00 34.13 32.44 1cx1 s GLU 8 CO -0.05 -1.85 2.01 -0.07 -0.56 0.00 0.00 175.26 174.73 1cx1 h LEU 9 N 11.30 0.60 -7.71 2.70 3.38 -1.92 -3.31 115.31 120.36 1cx1 h LEU 9 Ca -0.15 -0.01 -0.71 0.00 0.09 0.00 0.00 57.88 57.10 1cx1 h LEU 9 Cb 1.05 -0.14 -0.33 0.00 0.09 0.00 0.00 40.66 41.33 1cx1 h LEU 9 CO 1.19 0.42 -0.36 -0.22 0.09 0.00 0.00 178.44 179.55 1cx1 s LEU 10 N -9.62 5.47 0.00 1.67 1.98 -1.26 -4.93 118.68 111.99 1cx1 s LEU 10 Ca -0.09 -2.52 0.00 0.00 -2.89 0.00 0.00 54.13 48.63 1cx1 s LEU 10 Cb 0.18 -1.91 0.00 0.00 0.66 0.00 0.00 46.19 45.12 1cx1 s LEU 10 CO 0.76 -0.48 0.69 -0.81 -1.89 0.00 0.00 176.35 174.62 1cx1 n PRO 11 N 3.99 0.84 -3.98 0.98 -0.04 -1.25 -4.58 135.00 130.96 1cx1 n PRO 11 Ca 0.04 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.19 1cx1 n PRO 11 Cb 0.40 -1.20 -0.14 0.00 -0.04 0.00 0.00 33.50 32.51 1cx1 n PRO 11 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1cx1 s HIS 12 N -0.25 3.51 -0.39 0.54 2.46 -1.26 -4.94 115.29 114.96 1cx1 s HIS 12 Ca 0.00 -3.08 0.11 0.00 0.47 0.00 0.00 55.06 52.57 1cx1 s HIS 12 Cb 0.00 -2.89 0.43 0.00 -0.13 0.00 0.00 32.58 29.99 1cx1 s HIS 12 CO 0.00 -0.86 1.01 -2.37 -2.47 0.00 0.00 174.74 170.05 1cx1 n THR 13 N 3.75 1.63 -2.48 0.89 5.66 -1.26 -4.75 114.28 117.71 1cx1 n THR 13 Ca 0.04 -4.08 -0.31 0.00 -3.05 0.00 0.00 64.05 56.66 1cx1 n THR 13 Cb 0.38 -0.32 0.00 0.00 -1.55 0.00 0.00 70.33 68.84 1cx1 n THR 13 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1cx1 n SER 14 N -0.23 5.44 -0.54 1.09 7.64 -1.26 -4.16 113.62 121.60 1cx1 n SER 14 Ca 0.24 -3.74 0.00 0.00 1.01 0.00 0.00 58.87 56.38 1cx1 n SER 14 Cb 0.72 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 1cx1 n SER 14 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1cx1 n PHE 15 N -0.41 0.00 -0.03 1.43 3.01 -0.22 -3.46 117.46 117.78 1cx1 n PHE 15 Ca 0.41 -0.02 -0.02 0.00 1.01 0.00 0.00 57.45 58.83 1cx1 n PHE 15 Cb 0.49 -0.05 -0.01 0.00 -0.01 0.00 0.00 39.48 39.90 1cx1 n PHE 15 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1cx1 n ALA 16 N 0.37 0.19 -1.64 4.37 0.00 -1.08 -3.03 120.51 119.69 1cx1 n ALA 16 Ca 0.00 -0.25 -0.27 0.00 0.00 0.00 0.00 53.44 52.92 1cx1 n ALA 16 Cb 0.10 0.01 0.07 0.00 0.00 0.00 0.00 19.45 19.62 1cx1 n ALA 16 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1cx1 n GLU 17 N -3.29 3.01 0.00 0.00 1.02 -1.22 -2.89 120.64 117.27 1cx1 n GLU 17 Ca -0.03 -3.66 0.00 0.00 -0.02 0.00 0.00 57.16 53.44 1cx1 n GLU 17 Cb 0.12 -2.24 0.00 0.00 -0.02 0.00 0.00 31.44 29.29 1cx1 n GLU 17 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1cx1 n SER 18 N -0.85 0.00 0.01 1.62 3.41 -1.23 -5.08 113.62 111.50 1cx1 n SER 18 Ca 0.52 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 59.12 1cx1 n SER 18 Cb 0.86 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.80 1cx1 n SER 18 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1cx1 h LEU 19 N 0.00 -0.03 0.00 1.04 6.46 -1.90 -3.32 115.31 117.56 1cx1 h LEU 19 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1cx1 h LEU 19 Cb 0.00 0.01 0.00 0.00 -0.73 0.00 0.00 40.66 39.94 1cx1 h LEU 19 CO 0.00 0.01 0.00 0.61 -0.62 0.00 0.00 178.44 178.44 1cx1 n GLY 20 N 1.07 1.07 0.35 3.75 0.00 -1.26 -4.59 105.19 105.58 1cx1 n GLY 20 Ca -0.00 -2.22 0.17 0.00 0.00 0.00 0.00 46.02 43.96 1cx1 n GLY 20 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1cx1 h PRO 21 N 0.00 0.00 -7.05 1.61 0.11 -1.98 -3.42 132.00 121.27 1cx1 h PRO 21 Ca 0.00 0.00 -0.45 0.00 0.11 0.00 0.00 66.00 65.66 1cx1 h PRO 21 Cb 0.00 0.00 0.22 0.00 0.11 0.00 0.00 31.00 31.33 1cx1 h PRO 21 CO 0.00 0.00 -0.19 0.91 -0.21 0.00 0.00 178.00 178.51 1cx1 n TRP 22 N -3.11 -1.07 -4.44 0.65 7.02 -1.26 -4.84 117.44 110.40 1cx1 n TRP 22 Ca 0.00 -0.03 -0.23 0.00 -1.02 0.00 0.00 57.50 56.22 1cx1 n TRP 22 Cb 0.42 -1.71 -0.09 0.00 -2.42 0.00 0.00 31.31 27.52 1cx1 n TRP 22 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 1cx1 s SER 23 N -2.32 2.31 -0.23 -0.99 0.01 0.28 -4.92 113.70 107.84 1cx1 s SER 23 Ca 0.66 -1.63 -0.31 0.00 1.31 0.00 0.00 55.95 55.98 1cx1 s SER 23 Cb -0.23 0.44 0.16 0.00 0.21 0.00 0.00 66.02 66.60 1cx1 s SER 23 CO 0.65 -0.91 1.24 -1.48 0.41 0.00 0.00 173.24 173.14 1cx1 s LEU 24 N -3.51 -0.14 -0.30 2.44 0.05 -1.26 0.15 118.68 116.12 1cx1 s LEU 24 Ca 0.30 0.11 -0.22 0.00 0.05 0.00 0.00 54.13 54.37 1cx1 s LEU 24 Cb 0.04 1.34 0.20 0.00 -2.05 0.00 0.00 46.19 45.71 1cx1 s LEU 24 CO 0.17 -0.16 1.37 -0.72 -0.55 0.00 0.00 176.35 176.46 1cx1 s TYR 25 N -1.46 -0.07 0.00 3.48 1.13 -1.15 -4.99 117.35 114.29 1cx1 s TYR 25 Ca 0.07 0.16 0.00 0.00 -1.41 0.00 0.00 57.07 55.88 1cx1 s TYR 25 Cb -0.01 0.33 0.00 0.00 -1.10 0.00 0.00 41.96 41.18 1cx1 s TYR 25 CO -0.05 -0.03 0.00 0.41 -2.51 0.00 0.00 175.55 173.37 1cx1 n GLY 26 N 2.12 1.25 0.00 5.49 0.00 -1.26 -2.99 105.19 109.79 1cx1 n GLY 26 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1cx1 n GLY 26 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1cx1 n THR 27 N 0.00 0.00 -1.87 2.61 5.66 -1.26 -4.85 114.28 114.56 1cx1 n THR 27 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1cx1 n THR 27 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1cx1 n THR 27 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1cx1 n SER 28 N 0.00 0.00 -4.53 1.09 3.41 -1.13 -4.98 113.62 107.48 1cx1 n SER 28 Ca 0.00 -0.72 -0.43 0.00 -0.26 0.00 0.00 58.87 57.46 1cx1 n SER 28 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1cx1 n SER 28 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1cx1 s GLU 29 N -1.25 3.37 0.21 4.33 2.02 -1.26 -4.79 118.70 121.34 1cx1 s GLU 29 Ca 0.00 -0.23 -0.30 0.00 0.02 0.00 0.00 54.97 54.46 1cx1 s GLU 29 Cb 0.00 -3.93 -0.16 0.00 0.10 0.00 0.00 34.13 30.14 1cx1 s GLU 29 CO 0.00 -1.01 0.86 -2.30 0.02 0.00 0.00 175.26 172.83 1cx1 n PRO 30 N 6.39 0.73 -3.93 0.39 -0.02 -1.26 -4.87 135.00 132.42 1cx1 n PRO 30 Ca -0.00 0.26 -0.31 0.00 -2.02 0.00 0.00 63.50 61.42 1cx1 n PRO 30 Cb 0.48 -1.53 -0.14 0.00 -0.02 0.00 0.00 33.50 32.30 1cx1 n PRO 30 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1cx1 s VAL 31 N -0.79 2.68 -1.13 -1.45 0.11 -1.12 -4.85 120.40 113.84 1cx1 s VAL 31 Ca 0.66 -2.93 -0.24 0.00 -2.93 0.00 0.00 61.98 56.54 1cx1 s VAL 31 Cb -0.85 -2.87 -0.12 0.00 -1.53 0.00 0.00 36.38 31.00 1cx1 s VAL 31 CO 0.57 -0.75 2.00 0.72 -3.33 0.00 0.00 175.10 174.31 1cx1 s PHE 32 N 0.16 1.73 0.00 1.54 -0.12 -1.25 -3.00 117.98 117.04 1cx1 s PHE 32 Ca 0.15 1.01 0.00 0.00 -0.05 0.00 0.00 56.93 58.04 1cx1 s PHE 32 Cb -0.23 -3.80 0.00 0.00 -0.63 0.00 0.00 43.02 38.35 1cx1 s PHE 32 CO -0.03 -1.09 0.00 0.00 -0.05 0.00 0.00 175.22 174.05 1cx1 n ALA 33 N 15.92 0.00 -1.31 1.99 0.00 0.13 -4.68 120.51 132.56 1cx1 n ALA 33 Ca 0.44 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.79 1cx1 n ALA 33 Cb 0.47 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.85 1cx1 n ALA 33 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1cx1 n ASP 34 N 0.00 -0.06 -3.91 0.00 2.03 -1.26 -3.41 116.55 109.94 1cx1 n ASP 34 Ca 0.00 -2.02 -0.27 0.00 0.52 0.00 0.00 54.79 53.02 1cx1 n ASP 34 Cb 0.00 -1.22 -0.07 0.00 -0.72 0.00 0.00 41.12 39.11 1cx1 n ASP 34 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1cx1 n GLY 35 N 5.40 -0.16 3.62 0.27 0.00 -1.26 -4.82 105.19 108.25 1cx1 n GLY 35 Ca 0.24 0.12 -0.04 0.00 0.00 0.00 0.00 46.02 46.34 1cx1 n GLY 35 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1cx1 s ARG 36 N -6.27 0.19 -0.15 1.61 1.70 -1.14 -4.29 118.95 110.60 1cx1 s ARG 36 Ca 0.19 0.03 -0.03 0.00 -0.47 0.00 0.00 55.73 55.44 1cx1 s ARG 36 Cb -0.11 0.09 -0.03 0.00 -0.57 0.00 0.00 34.95 34.33 1cx1 s ARG 36 CO 0.79 -0.06 -0.05 0.00 -1.08 0.00 0.00 175.30 174.90 1cx1 s MET 37 N -1.23 3.57 -0.16 3.89 0.23 -0.09 0.20 119.30 125.71 1cx1 s MET 37 Ca 0.07 -0.53 -0.03 0.00 -1.03 0.00 0.00 55.69 54.17 1cx1 s MET 37 Cb -0.01 -2.87 -0.02 0.00 -1.53 0.00 0.00 34.83 30.40 1cx1 s MET 37 CO -0.05 0.28 -0.05 0.00 -2.03 0.00 0.00 175.02 173.17 1cx1 s VAL 39 N 0.50 3.39 -0.03 0.00 -7.23 -1.03 -2.77 120.40 113.22 1cx1 s VAL 39 Ca -0.04 -0.56 -0.29 0.00 -1.81 0.00 0.00 61.98 59.28 1cx1 s VAL 39 Cb -0.14 -2.42 -0.03 0.00 0.56 0.00 0.00 36.38 34.35 1cx1 s VAL 39 CO 0.03 0.54 0.96 -1.81 -0.31 0.00 0.00 175.10 174.51 1cx1 s ASP 40 N 0.01 7.31 -0.54 4.85 1.11 -1.26 -3.14 116.67 125.00 1cx1 s ASP 40 Ca -0.02 1.59 -0.05 0.00 0.18 0.00 0.00 52.55 54.24 1cx1 s ASP 40 Cb -0.14 -2.55 0.14 0.00 1.07 0.00 0.00 42.92 41.44 1cx1 s ASP 40 CO 0.04 -0.30 0.38 -0.76 1.18 0.00 0.00 175.17 175.70 1cx1 s LEU 41 N 1.26 5.48 0.33 1.23 2.01 -1.16 -2.83 118.68 125.00 1cx1 s LEU 41 Ca 0.50 -2.37 -0.26 0.00 0.01 0.00 0.00 54.13 52.00 1cx1 s LEU 41 Cb -0.20 -1.91 -0.10 0.00 0.01 0.00 0.00 46.19 43.99 1cx1 s LEU 41 CO 0.25 -0.52 0.97 -2.16 1.01 0.00 0.00 176.35 175.90 1cx1 s PRO 42 N 0.65 4.54 0.63 1.29 0.04 -1.26 -1.93 135.00 138.96 1cx1 s PRO 42 Ca 0.12 1.39 -0.10 0.00 0.04 0.00 0.00 61.00 62.45 1cx1 s PRO 42 Cb -0.22 -2.81 -0.02 0.00 0.04 0.00 0.00 34.50 31.49 1cx1 s PRO 42 CO -0.03 0.23 1.02 0.20 0.04 0.00 0.00 177.00 178.45 1cx1 s GLY 43 N -1.54 1.63 0.00 0.56 0.00 -1.26 -4.33 107.32 102.38 1cx1 s GLY 43 Ca 0.50 -0.23 0.00 0.00 0.00 0.00 0.00 44.72 44.99 1cx1 s GLY 43 CO 0.26 0.05 0.00 0.61 0.00 0.00 0.00 173.10 174.02 1cx1 n GLY 44 N -2.76 0.06 3.68 0.20 0.00 -1.26 -4.74 105.19 100.36 1cx1 n GLY 44 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1cx1 n GLY 44 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1cx1 s GLN 45 N 0.00 2.06 0.00 1.61 -0.21 -1.26 -4.95 119.66 116.91 1cx1 s GLN 45 Ca 0.00 -2.24 0.00 0.00 0.02 0.00 0.00 55.36 53.14 1cx1 s GLN 45 Cb 0.00 -1.52 0.00 0.00 1.00 0.00 0.00 33.01 32.49 1cx1 s GLN 45 CO 0.00 -0.22 0.04 0.41 -2.12 0.00 0.00 175.29 173.40 1cx1 n GLY 46 N -1.10 0.78 3.78 3.09 0.00 -1.26 -3.73 105.19 106.76 1cx1 n GLY 46 Ca -0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 1cx1 n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cx1 s ASN 47 N -0.41 6.27 0.00 1.61 6.03 -1.26 -4.97 114.94 122.21 1cx1 s ASN 47 Ca 0.00 0.31 0.25 0.00 -1.03 0.00 0.00 52.86 52.39 1cx1 s ASN 47 Cb 0.00 -2.08 1.47 0.00 -3.03 0.00 0.00 41.25 37.61 1cx1 s ASN 47 CO 0.00 0.25 1.87 -0.81 -2.03 0.00 0.00 177.10 176.38 1cx1 n PRO 48 N 3.01 0.86 -1.76 3.55 -0.04 -1.26 -3.53 135.00 135.84 1cx1 n PRO 48 Ca -0.17 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.09 1cx1 n PRO 48 Cb 0.53 -1.45 0.05 0.00 -0.04 0.00 0.00 33.50 32.60 1cx1 n PRO 48 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1cx1 n TRP 49 N -0.95 2.37 -0.38 0.54 4.27 -1.26 -3.87 117.44 118.17 1cx1 n TRP 49 Ca 0.18 -2.16 0.06 0.00 -3.89 0.00 0.00 57.50 51.69 1cx1 n TRP 49 Cb 0.08 -0.40 0.16 0.00 -1.36 0.00 0.00 31.31 29.79 1cx1 n TRP 49 CO 0.00 0.00 0.00 -0.25 -2.29 0.00 0.00 177.69 175.15 1cx1 n ASP 50 N -0.79 3.00 0.00 -0.67 9.92 -1.23 -4.98 116.55 121.80 1cx1 n ASP 50 Ca 0.42 -2.28 0.00 0.00 -0.53 0.00 0.00 54.79 52.40 1cx1 n ASP 50 Cb 0.92 -0.28 0.00 0.00 -0.64 0.00 0.00 41.12 41.12 1cx1 n ASP 50 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1cx1 n ALA 51 N 0.06 0.00 0.00 2.24 0.00 -1.26 -4.72 120.51 116.83 1cx1 n ALA 51 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1cx1 n ALA 51 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1cx1 n ALA 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cx1 n GLY 52 N -0.01 0.96 3.10 0.00 0.00 -1.16 -3.83 105.19 104.25 1cx1 n GLY 52 Ca 0.00 -0.99 -0.25 0.00 0.00 0.00 0.00 46.02 44.78 1cx1 n GLY 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1cx1 n LEU 53 N 0.00 0.00 -3.75 0.99 4.77 -0.94 -2.93 117.00 115.14 1cx1 n LEU 53 Ca 0.00 -1.11 -0.08 0.00 -0.03 0.00 0.00 56.01 54.79 1cx1 n LEU 53 Cb 0.00 -0.85 -0.02 0.00 -2.33 0.00 0.00 43.42 40.22 1cx1 n LEU 53 CO 0.00 -1.58 0.50 -0.69 -1.33 0.00 0.00 177.39 174.28 1cx1 s VAL 54 N -3.10 0.00 0.00 4.08 1.01 0.41 -2.41 120.40 120.39 1cx1 s VAL 54 Ca 0.61 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.86 1cx1 s VAL 54 Cb -0.03 -1.78 0.00 0.00 0.00 0.00 0.00 36.38 34.57 1cx1 s VAL 54 CO 0.45 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.55 1cx1 n TYR 55 N -0.44 0.00 -3.64 5.22 9.36 -1.05 0.10 117.16 126.71 1cx1 n TYR 55 Ca -0.07 0.00 -0.22 0.00 3.32 0.00 0.00 57.90 60.93 1cx1 n TYR 55 Cb 0.60 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.29 1cx1 n TYR 55 CO 0.00 0.00 0.00 -0.80 0.22 0.00 0.00 176.86 176.28 1cx1 s ASN 56 N 0.00 4.93 0.00 2.98 0.02 -1.26 0.99 114.94 122.60 1cx1 s ASN 56 Ca 0.00 -0.86 0.00 0.00 -1.02 0.00 0.00 52.86 50.98 1cx1 s ASN 56 Cb 0.00 -0.37 0.00 0.00 0.02 0.00 0.00 41.25 40.90 1cx1 s ASN 56 CO 0.00 -0.74 0.00 0.61 0.02 0.00 0.00 177.10 176.99 1cx1 n GLY 57 N -1.58 0.45 3.02 0.66 0.00 -1.23 -4.76 105.19 101.74 1cx1 n GLY 57 Ca 0.03 -0.56 -0.00 0.00 0.00 0.00 0.00 46.02 45.48 1cx1 n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cx1 s VAL 58 N -2.14 -0.88 0.69 1.61 1.01 -1.26 -4.77 120.40 114.66 1cx1 s VAL 58 Ca 0.00 -0.28 -0.11 0.00 0.00 0.00 0.00 61.98 61.58 1cx1 s VAL 58 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36.38 36.38 1cx1 s VAL 58 CO 0.00 0.00 1.07 -2.16 0.00 0.00 0.00 175.10 174.01 1cx1 s PRO 59 N 1.55 3.00 -0.12 2.72 0.04 -1.26 -4.39 135.00 136.54 1cx1 s PRO 59 Ca 0.20 0.60 -0.04 0.00 0.04 0.00 0.00 61.00 61.80 1cx1 s PRO 59 Cb -0.01 -2.02 0.05 0.00 0.04 0.00 0.00 34.50 32.55 1cx1 s PRO 59 CO -0.07 -0.97 0.08 0.08 0.04 0.00 0.00 177.00 176.16 1cx1 s VAL 60 N -3.26 -0.11 -0.11 -0.36 1.01 -1.06 -5.06 120.40 111.44 1cx1 s VAL 60 Ca 0.58 0.08 -0.02 0.00 0.00 0.00 0.00 61.98 62.61 1cx1 s VAL 60 Cb -0.12 -0.41 -0.03 0.00 0.00 0.00 0.00 36.38 35.83 1cx1 s VAL 60 CO 0.53 -0.09 -0.03 -0.83 0.00 0.00 0.00 175.10 174.68 1cx1 s GLY 61 N 2.16 1.76 0.28 4.51 0.00 -1.26 -1.42 107.32 113.34 1cx1 s GLY 61 Ca 0.03 -0.83 -0.29 0.00 0.00 0.00 0.00 44.72 43.63 1cx1 s GLY 61 CO -0.07 -0.36 1.15 -1.83 0.00 0.00 0.00 173.10 172.00 1cx1 s GLU 62 N -0.29 4.57 0.00 2.90 -1.05 -1.26 -3.86 118.70 119.72 1cx1 s GLU 62 Ca 0.05 1.89 0.00 0.00 -0.15 0.00 0.00 54.97 56.76 1cx1 s GLU 62 Cb -0.12 -3.17 0.00 0.00 -0.44 0.00 0.00 34.13 30.39 1cx1 s GLU 62 CO 0.02 0.10 0.00 0.41 0.95 0.00 0.00 175.26 176.74 1cx1 n GLY 63 N 1.25 3.60 3.96 -3.83 0.00 1.50 -4.87 105.19 106.80 1cx1 n GLY 63 Ca -0.00 -0.90 -0.23 0.00 0.00 0.00 0.00 46.02 44.88 1cx1 n GLY 63 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cx1 s GLU 64 N 0.00 3.44 -0.17 1.61 0.41 -1.25 -4.71 118.70 118.03 1cx1 s GLU 64 Ca 0.00 -0.69 -0.09 0.00 -0.41 0.00 0.00 54.97 53.79 1cx1 s GLU 64 Cb 0.00 -2.92 -0.05 0.00 -1.78 0.00 0.00 34.13 29.38 1cx1 s GLU 64 CO 0.00 0.47 0.13 -1.12 -0.49 0.00 0.00 175.26 174.25 1cx1 s SER 65 N -3.65 6.29 0.64 -0.19 0.01 -1.26 -0.82 113.70 114.71 1cx1 s SER 65 Ca 0.34 0.33 0.01 0.00 1.31 0.00 0.00 55.95 57.94 1cx1 s SER 65 Cb -0.10 -2.08 0.08 0.00 0.21 0.00 0.00 66.02 64.13 1cx1 s SER 65 CO 0.29 0.28 0.89 -0.31 0.41 0.00 0.00 173.24 174.80 1cx1 s TYR 66 N -0.25 2.12 -0.30 2.43 1.51 -0.90 -4.36 117.35 117.60 1cx1 s TYR 66 Ca 0.11 -0.19 -0.10 0.00 -1.01 0.00 0.00 57.07 55.88 1cx1 s TYR 66 Cb -0.11 -2.84 0.14 0.00 -0.11 0.00 0.00 41.96 39.04 1cx1 s TYR 66 CO 0.01 -1.32 0.73 0.08 -1.11 0.00 0.00 175.55 173.94 1cx1 s VAL 67 N -2.95 -0.87 0.24 0.71 1.01 0.73 -2.97 120.40 116.29 1cx1 s VAL 67 Ca 0.62 0.00 0.08 0.00 0.00 0.00 0.00 61.98 62.68 1cx1 s VAL 67 Cb -0.07 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 1cx1 s VAL 67 CO 0.41 0.00 0.08 -0.22 0.00 0.00 0.00 175.10 175.37 1cx1 s LEU 68 N 2.79 3.48 -0.27 3.92 0.20 -1.17 -2.05 118.68 125.58 1cx1 s LEU 68 Ca -0.03 -0.43 -0.00 0.00 0.69 0.00 0.00 54.13 54.36 1cx1 s LEU 68 Cb -0.11 -2.03 0.16 0.00 -0.43 0.00 0.00 46.19 43.78 1cx1 s LEU 68 CO -0.19 0.01 0.46 -0.94 -0.29 0.00 0.00 176.35 175.40 1cx1 s SER 69 N -3.57 -0.29 0.12 3.68 1.04 -1.18 -2.76 113.70 110.74 1cx1 s SER 69 Ca 0.31 0.22 -0.08 0.00 0.48 0.00 0.00 55.95 56.88 1cx1 s SER 69 Cb -0.08 1.45 -0.06 0.00 0.10 0.00 0.00 66.02 67.44 1cx1 s SER 69 CO 0.22 -0.30 0.40 0.72 0.98 0.00 0.00 173.24 175.26 1cx1 s PHE 70 N 2.65 3.52 -0.70 5.02 -0.71 -1.07 -0.12 117.98 126.58 1cx1 s PHE 70 Ca 0.14 0.70 -0.15 0.00 -1.04 0.00 0.00 56.93 56.58 1cx1 s PHE 70 Cb -0.14 -2.11 0.18 0.00 -1.21 0.00 0.00 43.02 39.74 1cx1 s PHE 70 CO -0.22 0.46 0.64 0.95 -1.34 0.00 0.00 175.22 175.72 1cx1 s THR 71 N -1.54 5.41 0.22 -4.49 -4.23 -0.54 -2.94 115.64 107.52 1cx1 s THR 71 Ca 0.38 -2.04 -0.13 0.00 -1.18 0.00 0.00 61.69 58.71 1cx1 s THR 71 Cb -0.13 -4.40 0.05 0.00 1.34 0.00 0.00 72.50 69.36 1cx1 s THR 71 CO 0.21 -0.96 0.64 0.00 -0.54 0.00 0.00 174.62 173.98 1cx1 n ALA 72 N 4.54 -1.57 -3.64 3.99 0.00 -1.15 -1.77 120.51 120.92 1cx1 n ALA 72 Ca 0.01 -0.83 -0.09 0.00 0.00 0.00 0.00 53.44 52.53 1cx1 n ALA 72 Cb 0.44 0.58 -0.07 0.00 0.00 0.00 0.00 19.45 20.40 1cx1 n ALA 72 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1cx1 s SER 73 N -2.60 -0.63 0.19 0.00 1.04 -1.06 -1.34 113.70 109.30 1cx1 s SER 73 Ca 0.14 1.14 -0.17 0.00 0.48 0.00 0.00 55.95 57.54 1cx1 s SER 73 Cb -0.03 1.19 -0.08 0.00 0.10 0.00 0.00 66.02 67.21 1cx1 s SER 73 CO 0.06 -0.19 0.64 0.00 0.98 0.00 0.00 173.24 174.74 1cx1 s ALA 74 N 0.67 3.48 -0.13 5.32 0.00 -1.10 -3.10 121.76 126.90 1cx1 s ALA 74 Ca -0.02 0.02 -0.01 0.00 0.00 0.00 0.00 51.96 51.95 1cx1 s ALA 74 Cb -0.05 -2.68 0.04 0.00 0.00 0.00 0.00 23.12 20.43 1cx1 s ALA 74 CO -0.07 0.39 -0.03 0.95 0.00 0.00 0.00 175.76 176.99 1cx1 s THR 75 N -1.53 0.80 0.00 0.00 -4.23 0.05 -3.48 115.64 107.24 1cx1 s THR 75 Ca 0.41 -0.34 0.00 0.00 -1.18 0.00 0.00 61.69 60.59 1cx1 s THR 75 Cb -0.15 -0.99 0.00 0.00 1.34 0.00 0.00 72.50 72.70 1cx1 s THR 75 CO 0.20 0.16 0.00 -2.65 -0.54 0.00 0.00 174.62 171.79 1cx1 n PRO 76 N 4.99 3.04 -3.64 3.99 -0.02 -1.26 -1.62 135.00 140.49 1cx1 n PRO 76 Ca -0.10 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.08 1cx1 n PRO 76 Cb 0.49 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.93 1cx1 n PRO 76 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1cx1 s ASP 77 N -1.70 6.46 0.00 2.55 1.11 -1.25 -4.47 116.67 119.38 1cx1 s ASP 77 Ca 0.00 0.57 0.00 0.00 0.18 0.00 0.00 52.55 53.30 1cx1 s ASP 77 Cb 0.00 -2.08 0.00 0.00 1.07 0.00 0.00 42.92 41.91 1cx1 s ASP 77 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 175.17 177.50 1cx1 n MET 78 N -0.20 0.00 -2.39 8.23 0.00 -1.11 -5.00 117.12 116.64 1cx1 n MET 78 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 57.70 57.25 1cx1 n MET 78 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 33.22 33.72 1cx1 n MET 78 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1cx1 s PRO 79 N -2.00 4.27 0.46 3.17 0.04 -1.26 -2.55 135.00 137.13 1cx1 s PRO 79 Ca 0.00 1.72 0.08 0.00 0.04 0.00 0.00 61.00 62.84 1cx1 s PRO 79 Cb 0.00 -3.70 0.02 0.00 0.04 0.00 0.00 34.50 30.86 1cx1 s PRO 79 CO 0.00 -0.63 0.56 0.14 0.04 0.00 0.00 177.00 177.11 1cx1 s VAL 80 N 3.05 2.62 0.36 -0.36 -7.23 -0.89 -4.85 120.40 113.10 1cx1 s VAL 80 Ca 0.57 -1.12 0.08 0.00 -1.81 0.00 0.00 61.98 59.70 1cx1 s VAL 80 Cb -0.24 -2.74 -0.05 0.00 0.56 0.00 0.00 36.38 33.91 1cx1 s VAL 80 CO 0.19 0.00 0.10 -0.13 -0.31 0.00 0.00 175.10 174.94 1cx1 s ARG 81 N -4.36 2.21 0.08 4.82 3.00 0.20 -2.44 118.95 122.45 1cx1 s ARG 81 Ca 0.53 -1.71 -0.26 0.00 0.00 0.00 0.00 55.73 54.29 1cx1 s ARG 81 Cb -0.07 -2.02 0.07 0.00 0.00 0.00 0.00 34.95 32.94 1cx1 s ARG 81 CO 0.32 0.06 0.64 0.08 0.00 0.00 0.00 175.30 176.41 1cx1 s VAL 82 N -2.51 0.00 -0.09 3.52 1.01 -1.24 -2.51 120.40 118.58 1cx1 s VAL 82 Ca 0.37 0.00 -0.29 0.00 0.00 0.00 0.00 61.98 62.06 1cx1 s VAL 82 Cb 0.00 -1.00 0.07 0.00 0.00 0.00 0.00 36.38 35.45 1cx1 s VAL 82 CO 0.21 0.00 0.67 -1.48 0.00 0.00 0.00 175.10 174.50 1cx1 s LEU 83 N -2.19 -0.61 -0.04 3.92 2.34 -1.08 -2.91 118.68 118.11 1cx1 s LEU 83 Ca -0.03 0.83 -0.16 0.00 0.06 0.00 0.00 54.13 54.83 1cx1 s LEU 83 Cb -0.01 2.47 0.03 0.00 -0.56 0.00 0.00 46.19 48.13 1cx1 s LEU 83 CO -0.05 -0.53 0.36 -0.69 -1.06 0.00 0.00 176.35 174.38 1cx1 s VAL 84 N -0.89 0.04 0.00 1.48 1.01 -0.87 -2.30 120.40 118.87 1cx1 s VAL 84 Ca -0.09 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.54 1cx1 s VAL 84 Cb -0.01 -0.64 0.00 0.00 0.00 0.00 0.00 36.38 35.73 1cx1 s VAL 84 CO 0.08 -0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.60 1cx1 n GLY 85 N 1.50 -0.49 3.99 4.51 0.00 -1.01 -2.64 105.19 111.06 1cx1 n GLY 85 Ca -0.20 -0.22 -0.25 0.00 0.00 0.00 0.00 46.02 45.35 1cx1 n GLY 85 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1cx1 s GLU 86 N -0.37 1.44 -0.24 1.61 -1.05 -1.26 -0.26 118.70 118.58 1cx1 s GLU 86 Ca 0.00 -1.07 0.18 0.00 -0.15 0.00 0.00 54.97 53.93 1cx1 s GLU 86 Cb 0.00 -2.26 0.48 0.00 -0.44 0.00 0.00 34.13 31.92 1cx1 s GLU 86 CO 0.00 -1.65 1.14 0.41 0.95 0.00 0.00 175.26 176.11 1cx1 n GLY 87 N -3.00 3.16 0.00 -3.83 0.00 -0.69 -4.53 105.19 96.29 1cx1 n GLY 87 Ca 0.16 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.67 1cx1 n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cx1 n GLY 88 N -0.56 2.71 0.00 -0.02 0.00 -1.26 -4.41 105.19 101.66 1cx1 n GLY 88 Ca 0.18 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.37 1cx1 n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cx1 n GLY 89 N 0.00 0.32 0.00 -0.02 0.00 -1.26 -3.85 105.19 100.38 1cx1 n GLY 89 Ca 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.02 1cx1 n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cx1 n ALA 90 N -1.00 0.96 -0.40 4.61 0.00 -1.26 -4.65 120.51 118.77 1cx1 n ALA 90 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1cx1 n ALA 90 Cb 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 18.74 1cx1 n ALA 90 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1cx1 n TYR 91 N -1.01 0.00 -1.66 0.00 4.01 -1.26 -4.82 117.16 112.42 1cx1 n TYR 91 Ca 0.00 0.00 -0.45 0.00 -0.16 0.00 0.00 57.90 57.29 1cx1 n TYR 91 Cb 0.04 -1.24 -0.04 0.00 -0.31 0.00 0.00 39.34 37.80 1cx1 n TYR 91 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1cx1 n ARG 92 N -0.69 2.45 -4.33 -0.72 1.74 -1.26 -4.84 116.66 109.00 1cx1 n ARG 92 Ca 0.00 0.88 -0.18 0.00 -0.77 0.00 0.00 57.85 57.78 1cx1 n ARG 92 Cb 0.06 -2.86 -0.10 0.00 -1.02 0.00 0.00 32.46 28.55 1cx1 n ARG 92 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 1cx1 s THR 93 N 4.71 1.54 -0.02 0.55 -1.32 -1.26 -4.49 115.64 115.35 1cx1 s THR 93 Ca 0.92 -2.15 0.11 0.00 -1.21 0.00 0.00 61.69 59.36 1cx1 s THR 93 Cb -0.55 -2.08 -0.17 0.00 -1.51 0.00 0.00 72.50 68.18 1cx1 s THR 93 CO 0.46 -0.56 0.24 0.00 -2.21 0.00 0.00 174.62 172.55 1cx1 n ALA 94 N -0.37 2.42 -0.90 11.08 0.00 -1.25 -4.50 120.51 126.98 1cx1 n ALA 94 Ca -0.08 -0.26 -0.19 0.00 0.00 0.00 0.00 53.44 52.91 1cx1 n ALA 94 Cb 0.61 -0.38 0.05 0.00 0.00 0.00 0.00 19.45 19.73 1cx1 n ALA 94 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1cx1 n PHE 95 N -1.87 1.78 -2.81 0.00 -0.00 -1.08 -4.85 117.46 108.62 1cx1 n PHE 95 Ca -0.02 -2.05 -0.43 0.00 -0.00 0.00 0.00 57.45 54.95 1cx1 n PHE 95 Cb 0.28 -1.00 -0.03 0.00 -0.00 0.00 0.00 39.48 38.74 1cx1 n PHE 95 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.76 174.93 1cx1 s GLU 96 N -2.08 3.39 0.00 -4.13 -1.05 -1.26 -2.04 118.70 111.53 1cx1 s GLU 96 Ca 0.35 -1.22 0.00 0.00 -0.15 0.00 0.00 54.97 53.96 1cx1 s GLU 96 Cb 0.28 -4.70 0.00 0.00 -0.44 0.00 0.00 34.13 29.27 1cx1 s GLU 96 CO 0.00 -1.89 0.00 0.00 0.95 0.00 0.00 175.26 174.32 1cx1 n GLN 97 N 7.56 3.89 0.00 -4.83 10.64 -1.15 -5.05 117.38 128.43 1cx1 n GLN 97 Ca 0.14 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.31 1cx1 n GLN 97 Cb 0.48 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.86 1cx1 n GLN 97 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1cx1 n GLY 98 N 5.00 0.04 3.42 2.61 0.00 -1.26 -4.35 105.19 110.64 1cx1 n GLY 98 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1cx1 n GLY 98 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1cx1 s SER 99 N 0.00 6.43 -0.51 1.61 0.01 -1.26 -3.98 113.70 116.00 1cx1 s SER 99 Ca 0.00 -1.74 0.05 0.00 1.31 0.00 0.00 55.95 55.57 1cx1 s SER 99 Cb 0.00 -2.35 0.18 0.00 0.21 0.00 0.00 66.02 64.05 1cx1 s SER 99 CO 0.00 -1.10 0.41 0.00 0.41 0.00 0.00 173.24 172.96 1cx1 n ALA 100 N 6.43 3.05 -1.63 1.44 0.00 -1.02 -4.98 120.51 123.79 1cx1 n ALA 100 Ca 0.08 -3.61 -0.48 0.00 0.00 0.00 0.00 53.44 49.43 1cx1 n ALA 100 Cb 0.46 -0.85 -0.04 0.00 0.00 0.00 0.00 19.45 19.03 1cx1 n ALA 100 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1cx1 n PRO 101 N 2.43 1.63 -4.31 0.00 -0.02 -1.26 -2.10 135.00 131.37 1cx1 n PRO 101 Ca 0.26 0.59 -0.24 0.00 -2.02 0.00 0.00 63.50 62.09 1cx1 n PRO 101 Cb 0.44 -2.23 -0.12 0.00 -0.02 0.00 0.00 33.50 31.57 1cx1 n PRO 101 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1cx1 s LEU 102 N 0.53 2.33 0.00 2.45 1.43 -1.06 -4.91 118.68 119.46 1cx1 s LEU 102 Ca 0.76 -0.73 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 1cx1 s LEU 102 Cb -0.78 -0.92 0.00 0.00 0.03 0.00 0.00 46.19 44.52 1cx1 s LEU 102 CO 0.47 0.06 0.00 1.07 0.23 0.00 0.00 176.35 178.17 1cx1 n THR 103 N 0.90 0.00 -0.07 5.49 5.66 -1.26 -2.75 114.28 122.24 1cx1 n THR 103 Ca -0.18 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.70 1cx1 n THR 103 Cb 0.54 -1.24 -0.15 0.00 -1.55 0.00 0.00 70.33 67.94 1cx1 n THR 103 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1cx1 n GLY 104 N 5.00 -0.84 3.99 1.09 0.00 -1.23 -2.71 105.19 110.49 1cx1 n GLY 104 Ca 0.00 -0.22 -0.19 0.00 0.00 0.00 0.00 46.02 45.61 1cx1 n GLY 104 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cx1 s GLU 105 N -2.53 3.19 -0.01 1.61 8.01 -1.26 -4.51 118.70 123.19 1cx1 s GLU 105 Ca -0.14 -0.95 -0.39 0.00 0.01 0.00 0.00 54.97 53.49 1cx1 s GLU 105 Cb 0.07 -2.84 -0.18 0.00 -4.31 0.00 0.00 34.13 26.87 1cx1 s GLU 105 CO 0.78 0.14 1.27 -2.30 0.01 0.00 0.00 175.26 175.16 1cx1 n PRO 106 N -1.59 0.58 -3.62 0.39 -0.02 -1.26 -4.63 135.00 124.85 1cx1 n PRO 106 Ca -0.02 0.21 -0.14 0.00 -2.02 0.00 0.00 63.50 61.53 1cx1 n PRO 106 Cb 0.58 -1.79 -0.07 0.00 -0.02 0.00 0.00 33.50 32.20 1cx1 n PRO 106 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1cx1 s ALA 107 N 0.65 -1.80 0.12 3.55 0.00 -0.45 -4.94 121.76 118.90 1cx1 s ALA 107 Ca 0.90 1.96 -0.14 0.00 0.00 0.00 0.00 51.96 54.67 1cx1 s ALA 107 Cb -1.13 -1.10 -0.07 0.00 0.00 0.00 0.00 23.12 20.82 1cx1 s ALA 107 CO 0.55 -0.33 0.52 0.95 0.00 0.00 0.00 175.76 177.44 1cx1 s THR 108 N 0.23 4.90 0.08 0.00 -4.23 -1.26 -2.91 115.64 112.45 1cx1 s THR 108 Ca -0.01 0.80 0.06 0.00 -1.18 0.00 0.00 61.69 61.37 1cx1 s THR 108 Cb -0.05 -3.73 -0.03 0.00 1.34 0.00 0.00 72.50 70.03 1cx1 s THR 108 CO 0.01 0.29 -0.17 -0.13 -0.54 0.00 0.00 174.62 174.09 1cx1 s ARG 109 N -1.83 0.94 0.05 3.99 3.00 -1.15 -4.96 118.95 118.99 1cx1 s ARG 109 Ca 0.35 -1.04 -0.01 0.00 0.00 0.00 0.00 55.73 55.04 1cx1 s ARG 109 Cb -0.15 -1.05 -0.04 0.00 0.00 0.00 0.00 34.95 33.70 1cx1 s ARG 109 CO 0.19 0.24 -0.03 -1.83 0.00 0.00 0.00 175.30 173.86 1cx1 s GLU 110 N -1.81 0.62 -0.07 3.54 4.04 -1.26 -2.59 118.70 121.18 1cx1 s GLU 110 Ca 0.01 -1.21 -0.01 0.00 0.04 0.00 0.00 54.97 53.80 1cx1 s GLU 110 Cb -0.10 0.16 0.03 0.00 0.02 0.00 0.00 34.13 34.24 1cx1 s GLU 110 CO 0.03 -0.10 -0.01 0.71 -1.84 0.00 0.00 175.26 174.05 1cx1 s TYR 111 N -3.82 0.75 -0.05 4.83 2.02 -1.11 -4.95 117.35 115.02 1cx1 s TYR 111 Ca 0.07 -0.22 0.04 0.00 -0.37 0.00 0.00 57.07 56.58 1cx1 s TYR 111 Cb 0.07 -0.82 -0.02 0.00 -0.40 0.00 0.00 41.96 40.78 1cx1 s TYR 111 CO -0.09 -0.33 -0.15 0.00 -1.57 0.00 0.00 175.55 173.41 1cx1 s ALA 112 N 1.83 2.63 0.15 3.71 0.00 -1.26 -3.01 121.76 125.80 1cx1 s ALA 112 Ca 0.03 -0.98 -0.09 0.00 0.00 0.00 0.00 51.96 50.92 1cx1 s ALA 112 Cb -0.12 -0.95 -0.01 0.00 0.00 0.00 0.00 23.12 22.04 1cx1 s ALA 112 CO -0.05 0.54 0.27 -0.59 0.00 0.00 0.00 175.76 175.94 1cx1 s PHE 113 N -0.68 0.32 -0.38 0.00 -0.71 -1.16 -4.99 117.98 110.38 1cx1 s PHE 113 Ca 0.10 -0.70 -0.16 0.00 -1.04 0.00 0.00 56.93 55.14 1cx1 s PHE 113 Cb -0.11 -0.04 0.01 0.00 -1.21 0.00 0.00 43.02 41.67 1cx1 s PHE 113 CO 0.01 -0.69 0.38 0.95 -1.34 0.00 0.00 175.22 174.53 1cx1 s THR 114 N -3.94 5.15 -0.25 -4.49 -4.23 -1.26 -2.12 115.64 104.49 1cx1 s THR 114 Ca 0.14 -0.22 -0.28 0.00 -1.18 0.00 0.00 61.69 60.15 1cx1 s THR 114 Cb 0.03 -3.93 -0.05 0.00 1.34 0.00 0.00 72.50 69.90 1cx1 s THR 114 CO -0.03 -0.26 2.20 -0.55 -0.54 0.00 0.00 174.62 175.44 1cx1 s SER 115 N 1.76 5.40 -0.13 3.99 0.15 -0.00 -4.77 113.70 120.10 1cx1 s SER 115 Ca 0.11 1.76 0.15 0.00 0.70 0.00 0.00 55.95 58.67 1cx1 s SER 115 Cb -0.17 -2.51 0.29 0.00 -1.71 0.00 0.00 66.02 61.92 1cx1 s SER 115 CO 0.12 -2.02 1.15 -0.46 1.20 0.00 0.00 173.24 173.23 1cx1 n ASN 116 N 11.96 1.83 -3.39 5.45 0.23 -1.26 0.44 115.26 130.52 1cx1 n ASN 116 Ca 0.30 -3.10 -0.13 0.00 -0.53 0.00 0.00 54.58 51.11 1cx1 n ASN 116 Cb 0.46 -0.42 -0.09 0.00 -2.08 0.00 0.00 39.78 37.65 1cx1 n ASN 116 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 1cx1 s LEU 117 N -2.46 -0.43 -0.43 -4.53 1.98 -1.26 -4.93 118.68 106.61 1cx1 s LEU 117 Ca 0.30 -0.29 -0.33 0.00 -2.89 0.00 0.00 54.13 50.91 1cx1 s LEU 117 Cb 0.27 0.77 -0.12 0.00 0.66 0.00 0.00 46.19 47.78 1cx1 s LEU 117 CO -0.01 -0.34 2.28 0.35 -1.89 0.00 0.00 176.35 176.74 1cx1 n THR 118 N 5.34 0.13 -3.85 3.68 -2.24 -1.26 -4.14 114.28 111.94 1cx1 n THR 118 Ca -0.03 -0.32 -0.30 0.00 -2.27 0.00 0.00 64.05 61.13 1cx1 n THR 118 Cb 0.49 -1.73 -0.14 0.00 -2.10 0.00 0.00 70.33 66.85 1cx1 n THR 118 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1cx1 s PHE 119 N 8.25 2.65 0.06 4.78 0.08 -0.51 -4.93 117.98 128.36 1cx1 s PHE 119 Ca 1.10 -2.73 -0.01 0.00 0.12 0.00 0.00 56.93 55.41 1cx1 s PHE 119 Cb -0.78 -2.37 0.01 0.00 -0.57 0.00 0.00 43.02 39.32 1cx1 s PHE 119 CO 0.45 -0.80 0.03 -2.30 -0.10 0.00 0.00 175.22 172.51 1cx1 n PRO 120 N 3.57 -1.40 0.00 0.24 -0.02 -1.26 -2.58 135.00 133.56 1cx1 n PRO 120 Ca 0.06 -0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1cx1 n PRO 120 Cb 0.35 -0.08 0.00 0.00 -0.02 0.00 0.00 33.50 33.75 1cx1 n PRO 120 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1cx1 n PRO 121 N -1.76 0.00 -0.64 0.52 -0.02 -1.26 -4.54 135.00 127.30 1cx1 n PRO 121 Ca 0.01 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 1cx1 n PRO 121 Cb 0.02 -1.13 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 1cx1 n PRO 121 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1cx1 n ASP 122 N -0.95 0.00 -0.06 2.55 2.03 -1.26 -4.14 116.55 114.72 1cx1 n ASP 122 Ca 0.00 -0.39 -0.08 0.00 0.52 0.00 0.00 54.79 54.85 1cx1 n ASP 122 Cb 0.00 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.33 1cx1 n ASP 122 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1cx1 n GLY 123 N 0.00 -0.34 0.27 0.27 0.00 -1.25 -4.80 105.19 99.34 1cx1 n GLY 123 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1cx1 n GLY 123 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1cx1 n ASP 124 N -2.68 1.80 -4.09 1.61 -0.08 -1.26 -4.95 116.55 106.90 1cx1 n ASP 124 Ca -0.21 0.00 -0.36 0.00 -1.51 0.00 0.00 54.79 52.71 1cx1 n ASP 124 Cb 0.80 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 44.15 1cx1 n ASP 124 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1cx1 s ALA 125 N -1.64 3.45 0.00 -1.67 0.00 -1.26 -5.04 121.76 115.60 1cx1 s ALA 125 Ca 0.00 -3.07 0.00 0.00 0.00 0.00 0.00 51.96 48.89 1cx1 s ALA 125 Cb 0.00 -2.55 0.00 0.00 0.00 0.00 0.00 23.12 20.57 1cx1 s ALA 125 CO 0.00 -2.02 0.00 -2.30 0.00 0.00 0.00 175.76 171.44 1cx1 n PRO 126 N 3.74 3.54 -0.73 0.00 -0.02 -1.26 -1.71 135.00 138.55 1cx1 n PRO 126 Ca 0.05 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.29 1cx1 n PRO 126 Cb 0.38 0.00 0.02 0.00 -0.02 0.00 0.00 33.50 33.88 1cx1 n PRO 126 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1cx1 n GLY 127 N 0.00 -2.59 3.48 -1.23 0.00 -1.26 -3.10 105.19 100.49 1cx1 n GLY 127 Ca 0.00 -0.32 -0.17 0.00 0.00 0.00 0.00 46.02 45.53 1cx1 n GLY 127 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1cx1 s GLN 128 N -0.99 1.05 0.05 1.61 -0.44 0.65 -3.57 119.66 118.03 1cx1 s GLN 128 Ca 0.32 0.10 -0.18 0.00 -2.50 0.00 0.00 55.36 53.09 1cx1 s GLN 128 Cb -0.22 0.49 0.04 0.00 -1.64 0.00 0.00 33.01 31.68 1cx1 s GLN 128 CO 0.49 -0.35 0.42 0.08 0.50 0.00 0.00 175.29 176.43 1cx1 s VAL 129 N -1.60 0.05 -0.30 1.34 1.01 0.28 -2.41 120.40 118.77 1cx1 s VAL 129 Ca -0.09 -0.44 -0.05 0.00 0.00 0.00 0.00 61.98 61.39 1cx1 s VAL 129 Cb -0.01 -0.97 0.18 0.00 0.00 0.00 0.00 36.38 35.59 1cx1 s VAL 129 CO 0.06 -0.24 0.72 0.00 0.00 0.00 0.00 175.10 175.63 1cx1 s ALA 130 N -2.57 -2.52 -0.67 5.51 0.00 -0.97 -2.54 121.76 117.99 1cx1 s ALA 130 Ca -0.05 1.81 -0.25 0.00 0.00 0.00 0.00 51.96 53.47 1cx1 s ALA 130 Cb -0.01 -2.20 0.04 0.00 0.00 0.00 0.00 23.12 20.96 1cx1 s ALA 130 CO -0.03 -1.31 1.13 -0.06 0.00 0.00 0.00 175.76 175.49 1cx1 s PHE 131 N 2.87 2.51 -0.20 0.00 0.40 -1.01 -2.63 117.98 119.91 1cx1 s PHE 131 Ca 0.13 -0.15 -0.11 0.00 -0.60 0.00 0.00 56.93 56.19 1cx1 s PHE 131 Cb -0.13 -4.44 -0.05 0.00 0.51 0.00 0.00 43.02 38.91 1cx1 s PHE 131 CO -0.18 -1.80 0.19 -1.01 0.70 0.00 0.00 175.22 173.12 1cx1 s HIS 132 N 4.89 3.40 -0.10 0.36 3.76 -1.04 -2.23 115.29 124.33 1cx1 s HIS 132 Ca 0.31 0.38 -0.03 0.00 -0.15 0.00 0.00 55.06 55.58 1cx1 s HIS 132 Cb -0.11 -2.25 -0.05 0.00 1.11 0.00 0.00 32.58 31.28 1cx1 s HIS 132 CO 0.15 0.21 -0.11 1.28 -0.85 0.00 0.00 174.74 175.42 1cx1 n LEU 133 N 3.77 1.71 0.00 0.89 4.32 -1.25 0.59 117.00 127.03 1cx1 n LEU 133 Ca -0.14 0.05 0.00 0.00 -0.02 0.00 0.00 56.01 55.89 1cx1 n LEU 133 Cb 0.52 -0.31 0.00 0.00 -1.62 0.00 0.00 43.42 42.01 1cx1 n LEU 133 CO 0.37 0.41 0.00 0.61 -1.22 0.00 0.00 177.39 177.56 1cx1 n GLY 134 N 2.66 1.42 0.00 -0.72 0.00 -1.25 -4.27 105.19 103.04 1cx1 n GLY 134 Ca -0.19 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.10 1cx1 n GLY 134 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1cx1 n LYS 135 N 1.41 3.37 0.00 1.61 5.02 -1.26 -4.65 118.16 123.66 1cx1 n LYS 135 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1cx1 n LYS 135 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1cx1 n LYS 135 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1cx1 n ALA 136 N -3.00 0.00 -0.46 7.82 0.00 -1.24 -4.01 120.51 119.62 1cx1 n ALA 136 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1cx1 n ALA 136 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 1cx1 n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cx1 n GLY 137 N 0.00 3.59 1.41 0.00 0.00 -1.26 -4.69 105.19 104.24 1cx1 n GLY 137 Ca 0.00 -0.78 -0.17 0.00 0.00 0.00 0.00 46.02 45.08 1cx1 n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cx1 n ALA 138 N 0.10 -2.36 -2.20 4.61 0.00 -1.26 -4.90 120.51 114.50 1cx1 n ALA 138 Ca 0.28 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1cx1 n ALA 138 Cb 0.79 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.64 1cx1 n ALA 138 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1cx1 n TYR 139 N -0.70 0.00 -3.71 0.00 4.11 -0.81 -4.91 117.16 111.13 1cx1 n TYR 139 Ca 0.03 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.80 1cx1 n TYR 139 Cb 0.21 0.00 -0.13 0.00 -0.00 0.00 0.00 39.34 39.42 1cx1 n TYR 139 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.86 175.65 1cx1 s GLU 140 N 4.29 0.19 -0.31 -3.48 2.02 -0.64 -3.01 118.70 117.77 1cx1 s GLU 140 Ca 0.00 0.59 0.01 0.00 0.02 0.00 0.00 54.97 55.59 1cx1 s GLU 140 Cb 0.00 -0.10 0.07 0.00 0.10 0.00 0.00 34.13 34.20 1cx1 s GLU 140 CO 0.00 -0.20 -0.00 0.12 0.02 0.00 0.00 175.26 175.20 1cx1 s PHE 141 N 1.58 3.41 -0.23 1.61 5.36 -1.19 -0.77 117.98 127.75 1cx1 s PHE 141 Ca -0.06 -2.34 -0.05 0.00 -0.96 0.00 0.00 56.93 53.52 1cx1 s PHE 141 Cb -0.11 -2.36 -0.02 0.00 -0.34 0.00 0.00 43.02 40.20 1cx1 s PHE 141 CO -0.09 -0.88 -0.00 0.00 -1.46 0.00 0.00 175.22 172.79 1cx1 s ILE 143 N 1.46 2.15 0.00 0.00 2.07 -0.84 -2.57 121.20 123.47 1cx1 s ILE 143 Ca 0.05 -1.53 0.00 0.00 -1.41 0.00 0.00 60.65 57.76 1cx1 s ILE 143 Cb -0.15 -1.87 0.00 0.00 0.13 0.00 0.00 42.46 40.57 1cx1 s ILE 143 CO -0.01 0.24 0.00 -1.54 -1.91 0.00 0.00 174.94 171.72 1cx1 n SER 144 N 1.42 0.01 -3.72 4.50 3.41 -0.73 -0.91 113.62 117.60 1cx1 n SER 144 Ca -0.17 -0.33 -0.07 0.00 -0.26 0.00 0.00 58.87 58.03 1cx1 n SER 144 Cb 0.52 0.66 -0.02 0.00 -0.26 0.00 0.00 64.21 65.12 1cx1 n SER 144 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1cx1 s GLN 145 N -0.67 1.49 -0.15 4.33 -0.21 -1.24 -1.06 119.66 122.16 1cx1 s GLN 145 Ca 0.00 -0.77 -0.06 0.00 0.02 0.00 0.00 55.36 54.55 1cx1 s GLN 145 Cb 0.00 0.55 0.07 0.00 1.00 0.00 0.00 33.01 34.62 1cx1 s GLN 145 CO 0.00 -0.68 0.34 0.54 -2.12 0.00 0.00 175.29 173.37 1cx1 s VAL 146 N -3.70 -0.33 0.35 1.09 0.11 -1.26 -1.46 120.40 115.20 1cx1 s VAL 146 Ca 0.09 0.18 0.07 0.00 -2.93 0.00 0.00 61.98 59.40 1cx1 s VAL 146 Cb -0.04 -0.53 -0.02 0.00 -1.53 0.00 0.00 36.38 34.26 1cx1 s VAL 146 CO 0.01 0.08 0.32 -0.55 -3.33 0.00 0.00 175.10 171.63 1cx1 s SER 147 N 2.05 5.33 -0.30 3.54 0.15 0.83 -4.51 113.70 120.80 1cx1 s SER 147 Ca -0.04 -0.49 -0.17 0.00 0.70 0.00 0.00 55.95 55.95 1cx1 s SER 147 Cb -0.11 -0.95 0.18 0.00 -1.71 0.00 0.00 66.02 63.43 1cx1 s SER 147 CO -0.11 -0.40 1.12 -0.22 1.20 0.00 0.00 173.24 174.83 1cx1 s LEU 148 N -4.03 -0.35 0.00 3.45 2.96 -1.26 -3.07 118.68 116.38 1cx1 s LEU 148 Ca 0.42 0.48 0.00 0.00 -0.22 0.00 0.00 54.13 54.82 1cx1 s LEU 148 Cb -0.06 1.40 0.00 0.00 0.50 0.00 0.00 46.19 48.03 1cx1 s LEU 148 CO 0.27 -0.07 0.00 1.07 -1.32 0.00 0.00 176.35 176.30 1cx1 n THR 149 N 4.70 0.00 0.00 3.68 5.66 -0.87 -3.83 114.28 123.62 1cx1 n THR 149 Ca -0.09 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.91 1cx1 n THR 149 Cb 0.54 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.32 1cx1 n THR 149 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1cx1 n THR 150 N 0.45 0.00 -2.72 1.09 5.66 -1.26 -0.19 114.28 117.31 1cx1 n THR 150 Ca 0.00 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.93 1cx1 n THR 150 Cb 0.00 0.00 0.07 0.00 -1.55 0.00 0.00 70.33 68.85 1cx1 n THR 150 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1cx1 n SER 151 N 0.00 -2.21 -0.11 1.09 3.41 -1.26 -4.71 113.62 109.84 1cx1 n SER 151 Ca 0.00 -2.84 0.00 0.00 -0.26 0.00 0.00 58.87 55.77 1cx1 n SER 151 Cb 0.00 1.50 0.00 0.00 -0.26 0.00 0.00 64.21 65.45 1cx1 n SER 151 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1cx1 n ALA 152 N 1.24 0.00 0.04 7.33 0.00 -1.26 -4.66 120.51 123.20 1cx1 n ALA 152 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1cx1 n ALA 152 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.13 1cx1 n ALA 152 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91