#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 -0.26 0.00 2.88 -1.26 -4.99 113.62 109.99 1cx1 n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1cx1 n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1cx1 n SER 2 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1cx1 n LEU 3 N 0.00 0.00 0.00 2.46 7.94 -1.26 -4.97 117.00 121.17 1cx1 n LEU 3 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1cx1 n LEU 3 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1cx1 n LEU 3 CO 0.00 0.00 0.00 0.47 -1.11 0.00 0.00 177.39 176.75 1cx1 n ASP 4 N -0.59 0.00 -4.25 1.96 9.92 -1.26 -4.66 116.55 117.67 1cx1 n ASP 4 Ca 0.00 0.00 -0.29 0.00 -0.53 0.00 0.00 54.79 53.97 1cx1 n ASP 4 Cb 0.00 0.00 0.20 0.00 -0.64 0.00 0.00 41.12 40.68 1cx1 n ASP 4 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1cx1 s SER 5 N -2.32 2.20 0.00 -2.24 0.15 -1.26 -4.51 113.70 105.72 1cx1 s SER 5 Ca 0.00 0.73 0.00 0.00 0.70 0.00 0.00 55.95 57.38 1cx1 s SER 5 Cb 0.00 -1.09 0.00 0.00 -1.71 0.00 0.00 66.02 63.22 1cx1 s SER 5 CO 0.00 -3.34 0.00 -1.84 1.20 0.00 0.00 173.24 169.26 1cx1 n GLU 6 N -4.25 -0.54 -3.28 5.44 0.28 -1.26 -4.79 120.64 112.23 1cx1 n GLU 6 Ca 0.11 0.73 -0.46 0.00 -0.16 0.00 0.00 57.16 57.38 1cx1 n GLU 6 Cb 0.59 -0.68 -0.01 0.00 1.43 0.00 0.00 31.44 32.77 1cx1 n GLU 6 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1cx1 s VAL 7 N -0.42 5.72 -0.29 3.84 1.01 -1.26 -4.95 120.40 124.04 1cx1 s VAL 7 Ca 0.00 -2.90 -0.28 0.00 0.00 0.00 0.00 61.98 58.80 1cx1 s VAL 7 Cb 0.00 -4.58 -0.03 0.00 0.00 0.00 0.00 36.38 31.77 1cx1 s VAL 7 CO 0.00 -1.17 1.95 -0.70 0.00 0.00 0.00 175.10 175.17 1cx1 s GLU 8 N -0.29 3.26 0.10 2.72 2.56 -1.25 -3.96 118.70 121.83 1cx1 s GLU 8 Ca 0.27 1.63 0.01 0.00 0.00 0.00 0.00 54.97 56.88 1cx1 s GLU 8 Cb -0.09 -4.26 -0.25 0.00 2.00 0.00 0.00 34.13 31.53 1cx1 s GLU 8 CO -0.08 -1.95 1.20 -0.07 -0.56 0.00 0.00 175.26 173.80 1cx1 h LEU 9 N 14.19 0.23 -7.71 2.70 3.38 -1.89 -3.40 115.31 122.80 1cx1 h LEU 9 Ca -0.36 -0.25 -0.69 0.00 0.09 0.00 0.00 57.88 56.67 1cx1 h LEU 9 Cb 1.19 -0.08 -0.35 0.00 0.09 0.00 0.00 40.66 41.52 1cx1 h LEU 9 CO 1.01 1.19 -0.48 -0.22 0.09 0.00 0.00 178.44 180.03 1cx1 s LEU 10 N -6.95 5.23 0.00 1.67 0.20 -1.26 -4.96 118.68 112.61 1cx1 s LEU 10 Ca -0.02 -2.38 0.00 0.00 0.69 0.00 0.00 54.13 52.43 1cx1 s LEU 10 Cb 0.08 -1.83 0.00 0.00 -0.43 0.00 0.00 46.19 44.01 1cx1 s LEU 10 CO 0.85 -0.47 0.00 -2.65 -0.29 0.00 0.00 176.35 173.80 1cx1 n PRO 11 N 4.13 0.00 -4.52 0.98 -0.02 -1.26 -4.62 135.00 129.68 1cx1 n PRO 11 Ca 0.02 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.26 1cx1 n PRO 11 Cb 0.40 -1.25 -0.16 0.00 -0.02 0.00 0.00 33.50 32.46 1cx1 n PRO 11 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1cx1 s HIS 12 N 1.43 1.30 -0.37 6.00 2.46 -1.26 -5.02 115.29 119.82 1cx1 s HIS 12 Ca 0.00 -0.44 0.05 0.00 0.47 0.00 0.00 55.06 55.14 1cx1 s HIS 12 Cb 0.00 -0.96 0.27 0.00 -0.13 0.00 0.00 32.58 31.77 1cx1 s HIS 12 CO 0.00 -0.22 1.25 -2.37 -2.47 0.00 0.00 174.74 170.92 1cx1 n THR 13 N 3.69 0.00 -2.78 0.89 5.66 -1.26 -4.51 114.28 115.97 1cx1 n THR 13 Ca -0.22 -0.99 -0.09 0.00 -3.05 0.00 0.00 64.05 59.70 1cx1 n THR 13 Cb 0.52 1.05 0.05 0.00 -1.55 0.00 0.00 70.33 70.40 1cx1 n THR 13 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1cx1 n SER 14 N 0.06 -2.62 -1.42 1.09 2.88 -1.21 -4.28 113.62 108.12 1cx1 n SER 14 Ca -0.07 -3.32 0.00 0.00 -1.33 0.00 0.00 58.87 54.15 1cx1 n SER 14 Cb 0.73 1.67 0.00 0.00 -0.75 0.00 0.00 64.21 65.87 1cx1 n SER 14 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1cx1 n PHE 15 N 1.47 0.00 0.07 0.66 3.01 -0.78 -3.53 117.46 118.36 1cx1 n PHE 15 Ca 0.10 -0.20 -0.13 0.00 1.01 0.00 0.00 57.45 58.22 1cx1 n PHE 15 Cb 0.63 -0.23 -0.13 0.00 -0.01 0.00 0.00 39.48 39.74 1cx1 n PHE 15 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1cx1 h ALA 16 N 2.57 0.25 -0.06 4.37 0.00 -1.79 -3.34 119.26 121.26 1cx1 h ALA 16 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 54.91 53.93 1cx1 h ALA 16 Cb 0.27 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1cx1 h ALA 16 CO 0.00 1.13 0.00 0.39 0.00 0.00 0.00 179.25 180.77 1cx1 n GLU 17 N -3.43 0.00 -4.29 0.00 -0.58 -1.23 -4.65 120.64 106.46 1cx1 n GLU 17 Ca -0.08 0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.33 1cx1 n GLU 17 Cb 1.01 -0.25 -0.09 0.00 -0.57 0.00 0.00 31.44 31.54 1cx1 n GLU 17 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1cx1 s SER 18 N -4.40 5.17 0.00 1.62 0.01 -1.26 -4.90 113.70 109.93 1cx1 s SER 18 Ca 0.00 0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.28 1cx1 s SER 18 Cb 0.00 -1.38 0.00 0.00 0.21 0.00 0.00 66.02 64.85 1cx1 s SER 18 CO 0.00 0.29 0.08 0.00 0.41 0.00 0.00 173.24 174.03 1cx1 n LEU 19 N 1.49 0.02 -1.01 2.44 -0.00 -1.26 -4.46 117.00 114.21 1cx1 n LEU 19 Ca -0.15 -0.01 0.14 0.00 -0.00 0.00 0.00 56.01 55.99 1cx1 n LEU 19 Cb 0.53 -0.01 -0.04 0.00 -0.00 0.00 0.00 43.42 43.90 1cx1 n LEU 19 CO 0.33 0.01 -0.23 0.61 -0.00 0.00 0.00 177.39 178.11 1cx1 n GLY 20 N -0.21 -1.92 0.05 1.47 0.00 -1.26 -3.82 105.19 99.50 1cx1 n GLY 20 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.76 1cx1 n GLY 20 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1cx1 n PRO 21 N -3.42 0.70 -0.61 1.61 -0.04 -1.26 -4.82 135.00 127.17 1cx1 n PRO 21 Ca -0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.33 1cx1 n PRO 21 Cb 0.47 -1.03 0.10 0.00 -0.04 0.00 0.00 33.50 32.99 1cx1 n PRO 21 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1cx1 n TRP 22 N -0.44 -3.65 -4.66 0.54 7.02 -1.25 -4.93 117.44 110.07 1cx1 n TRP 22 Ca 0.00 -0.46 -0.30 0.00 -1.02 0.00 0.00 57.50 55.72 1cx1 n TRP 22 Cb 0.02 -0.46 -0.13 0.00 -2.42 0.00 0.00 31.31 28.32 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 -2.90 3.63 -0.10 -0.99 0.01 0.48 -4.95 113.70 108.89 1cx1 s SER 23 Ca 0.31 -0.50 -0.16 0.00 1.31 0.00 0.00 55.95 56.91 1cx1 s SER 23 Cb -0.02 -0.51 0.04 0.00 0.21 0.00 0.00 66.02 65.74 1cx1 s SER 23 CO 0.23 0.24 0.41 -0.22 0.41 0.00 0.00 173.24 174.31 1cx1 s LEU 24 N -1.51 0.45 0.00 2.44 0.20 -1.26 -0.47 118.68 118.53 1cx1 s LEU 24 Ca 0.14 0.60 0.00 0.00 0.69 0.00 0.00 54.13 55.56 1cx1 s LEU 24 Cb -0.10 1.47 0.00 0.00 -0.43 0.00 0.00 46.19 47.13 1cx1 s LEU 24 CO 0.05 -0.28 0.00 0.00 -0.29 0.00 0.00 176.35 175.84 1cx1 n TYR 25 N 2.21 0.00 0.00 5.38 0.18 -1.13 -5.01 117.16 118.79 1cx1 n TYR 25 Ca -0.16 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.62 1cx1 n TYR 25 Cb 0.57 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.53 1cx1 n TYR 25 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1cx1 n GLY 26 N -0.68 3.06 0.00 -7.48 0.00 -1.26 -1.93 105.19 96.90 1cx1 n GLY 26 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.33 0.00 -1.63 2.61 5.66 -1.26 -4.76 114.28 113.57 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 -4.54 1.09 3.41 -1.25 -4.98 113.62 107.35 1cx1 n SER 28 Ca 0.00 -0.45 -0.43 0.00 -0.26 0.00 0.00 58.87 57.73 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 -0.70 -0.16 0.00 0.00 175.04 174.18 1cx1 s GLU 29 N -0.14 3.44 0.45 4.33 -6.30 -1.26 -4.80 118.70 114.43 1cx1 s GLU 29 Ca 0.00 -0.14 -0.21 0.00 -2.50 0.00 0.00 54.97 52.13 1cx1 s GLU 29 Cb 0.00 -3.91 -0.14 0.00 0.00 0.00 0.00 34.13 30.09 1cx1 s GLU 29 CO 0.00 -0.98 0.26 -2.30 0.02 0.00 0.00 175.26 172.26 1cx1 n PRO 30 N 6.39 0.25 -3.75 4.30 -0.02 -1.26 -4.88 135.00 136.03 1cx1 n PRO 30 Ca 0.00 0.09 -0.30 0.00 -2.02 0.00 0.00 63.50 61.28 1cx1 n PRO 30 Cb 0.48 -1.26 -0.14 0.00 -0.02 0.00 0.00 33.50 32.56 1cx1 n PRO 30 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1cx1 s VAL 31 N -1.68 1.22 -1.06 -1.45 1.01 -1.10 -4.94 120.40 112.41 1cx1 s VAL 31 Ca 0.62 -1.98 -0.22 0.00 0.00 0.00 0.00 61.98 60.39 1cx1 s VAL 31 Cb -0.57 -1.89 0.04 0.00 0.00 0.00 0.00 36.38 33.96 1cx1 s VAL 31 CO 0.61 -0.77 1.55 0.72 0.00 0.00 0.00 175.10 177.20 1cx1 s PHE 32 N 1.00 2.50 0.00 5.22 -0.12 -1.26 -3.01 117.98 122.32 1cx1 s PHE 32 Ca 0.13 -0.82 0.00 0.00 -0.05 0.00 0.00 56.93 56.19 1cx1 s PHE 32 Cb -0.21 -4.64 0.00 0.00 -0.63 0.00 0.00 43.02 37.54 1cx1 s PHE 32 CO -0.12 -1.89 0.00 0.00 -0.05 0.00 0.00 175.22 173.16 1cx1 n ALA 33 N 9.33 0.00 -0.77 1.99 0.00 0.99 -4.81 120.51 127.25 1cx1 n ALA 33 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1cx1 n ALA 33 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 0.00 -2.05 0.00 2.03 -1.26 -4.02 116.55 111.25 1cx1 n ASP 34 Ca 0.00 0.10 -0.06 0.00 0.52 0.00 0.00 54.79 55.36 1cx1 n ASP 34 Cb 0.00 0.00 0.06 0.00 -0.72 0.00 0.00 41.12 40.46 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 -0.24 3.49 3.30 0.27 0.00 -1.26 -4.87 105.19 105.88 1cx1 n GLY 35 Ca 0.00 -1.54 -0.11 0.00 0.00 0.00 0.00 46.02 44.37 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 -3.00 0.96 -0.03 1.61 1.70 -1.26 -4.47 118.95 114.46 1cx1 s ARG 36 Ca 0.37 -0.58 0.03 0.00 -0.47 0.00 0.00 55.73 55.08 1cx1 s ARG 36 Cb 0.37 0.42 0.00 0.00 -0.57 0.00 0.00 34.95 35.17 1cx1 s ARG 36 CO -0.04 -0.35 -0.12 1.41 -1.08 0.00 0.00 175.30 175.12 1cx1 s MET 37 N -3.18 1.33 0.02 3.89 -2.45 -1.03 -0.01 119.30 117.88 1cx1 s MET 37 Ca -0.01 -0.43 0.07 0.00 -1.25 0.00 0.00 55.69 54.07 1cx1 s MET 37 Cb 0.01 -1.19 -0.02 0.00 1.25 0.00 0.00 34.83 34.88 1cx1 s MET 37 CO -0.07 0.16 -0.21 0.00 1.05 0.00 0.00 175.02 175.95 1cx1 s VAL 39 N -0.70 3.20 -0.54 0.00 -7.23 -0.99 -2.71 120.40 111.44 1cx1 s VAL 39 Ca 0.08 -0.95 -0.28 0.00 -1.81 0.00 0.00 61.98 59.01 1cx1 s VAL 39 Cb -0.09 -2.36 0.02 0.00 0.56 0.00 0.00 36.38 34.51 1cx1 s VAL 39 CO 0.01 0.39 1.37 -1.81 -0.31 0.00 0.00 175.10 174.75 1cx1 s ASP 40 N -1.35 6.23 -0.75 4.85 1.11 -1.26 -3.14 116.67 122.36 1cx1 s ASP 40 Ca 0.15 0.35 0.02 0.00 0.18 0.00 0.00 52.55 53.26 1cx1 s ASP 40 Cb -0.11 -2.55 0.18 0.00 1.07 0.00 0.00 42.92 41.52 1cx1 s ASP 40 CO 0.06 -1.61 0.57 -0.76 1.18 0.00 0.00 175.17 174.61 1cx1 s LEU 41 N 5.72 5.06 0.00 1.23 2.01 0.69 -3.79 118.68 129.60 1cx1 s LEU 41 Ca 0.52 -3.70 0.00 0.00 0.01 0.00 0.00 54.13 50.96 1cx1 s LEU 41 Cb -0.10 -1.74 0.00 0.00 0.01 0.00 0.00 46.19 44.35 1cx1 s LEU 41 CO 0.27 -0.14 0.00 -2.65 1.01 0.00 0.00 176.35 174.83 1cx1 n PRO 42 N 2.25 3.32 -2.91 1.29 -0.02 -1.24 0.20 135.00 137.89 1cx1 n PRO 42 Ca 0.19 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.53 1cx1 n PRO 42 Cb 0.36 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 33.84 1cx1 n PRO 42 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1cx1 n GLY 43 N 0.00 0.99 1.05 -1.23 0.00 -1.26 -2.41 105.19 102.32 1cx1 n GLY 43 Ca 0.00 -0.44 -0.05 0.00 0.00 0.00 0.00 46.02 45.53 1cx1 n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cx1 n GLY 44 N 1.61 0.40 3.33 -0.02 0.00 -1.25 -4.50 105.19 104.75 1cx1 n GLY 44 Ca 0.13 -0.01 -0.47 0.00 0.00 0.00 0.00 46.02 45.67 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 0.01 3.52 0.33 1.61 -0.21 -1.26 -4.91 119.66 118.75 1cx1 s GLN 45 Ca 0.01 -2.35 0.10 0.00 0.02 0.00 0.00 55.36 53.14 1cx1 s GLN 45 Cb 0.04 -4.41 1.01 0.00 1.00 0.00 0.00 33.01 30.64 1cx1 s GLN 45 CO -0.01 -1.30 1.55 0.41 -2.12 0.00 0.00 175.29 173.82 1cx1 n GLY 46 N 4.16 -1.07 3.71 3.09 0.00 -1.26 -3.93 105.19 109.88 1cx1 n GLY 46 Ca 0.10 0.89 -0.35 0.00 0.00 0.00 0.00 46.02 46.65 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 -4.79 6.19 0.29 1.61 6.03 -1.26 -4.98 114.94 118.02 1cx1 s ASN 47 Ca -0.11 0.20 0.15 0.00 -1.03 0.00 0.00 52.86 52.07 1cx1 s ASN 47 Cb 0.31 -2.10 0.23 0.00 -3.03 0.00 0.00 41.25 36.67 1cx1 s ASN 47 CO 0.77 0.14 1.52 1.55 -2.03 0.00 0.00 177.10 179.05 1cx1 h PRO 48 N 6.91 0.00 -1.17 3.55 0.13 -1.71 -3.25 132.00 136.47 1cx1 h PRO 48 Ca -0.40 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.38 1cx1 h PRO 48 Cb 1.16 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.10 1cx1 h PRO 48 CO 0.73 0.53 0.45 -2.67 -0.23 0.00 0.00 178.00 176.81 1cx1 n TRP 49 N -3.35 1.89 0.75 1.56 4.27 -1.26 -4.09 117.44 117.20 1cx1 n TRP 49 Ca 0.01 -1.69 0.12 0.00 -3.89 0.00 0.00 57.50 52.04 1cx1 n TRP 49 Cb 0.69 -0.84 0.14 0.00 -1.36 0.00 0.00 31.31 29.94 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 -0.27 3.16 -1.84 -0.67 9.92 -1.23 -5.01 116.55 120.62 1cx1 n ASP 50 Ca 0.37 -1.99 -0.01 0.00 -0.53 0.00 0.00 54.79 52.63 1cx1 n ASP 50 Cb 0.95 -0.09 0.01 0.00 -0.64 0.00 0.00 41.12 41.35 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 1.40 -1.00 0.00 2.24 0.00 -1.26 -4.60 120.51 117.29 1cx1 n ALA 51 Ca 0.16 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1cx1 n ALA 51 Cb 0.60 0.19 0.00 0.00 0.00 0.00 0.00 19.45 20.24 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 -0.27 -0.63 3.43 0.00 0.00 -0.81 -4.51 105.19 102.40 1cx1 n GLY 52 Ca -0.00 -2.22 -0.32 0.00 0.00 0.00 0.00 46.02 43.47 1cx1 n GLY 52 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1cx1 s LEU 53 N 0.00 2.55 0.24 0.99 0.05 -1.05 -2.85 118.68 118.60 1cx1 s LEU 53 Ca 0.00 -0.30 0.06 0.00 0.05 0.00 0.00 54.13 53.94 1cx1 s LEU 53 Cb 0.00 -1.50 -0.05 0.00 -2.05 0.00 0.00 46.19 42.59 1cx1 s LEU 53 CO 0.00 0.33 -0.06 0.54 -0.55 0.00 0.00 176.35 176.61 1cx1 s VAL 54 N -0.73 1.41 0.06 1.48 0.11 0.38 0.17 120.40 123.28 1cx1 s VAL 54 Ca 0.12 -2.10 -0.26 0.00 -2.93 0.00 0.00 61.98 56.80 1cx1 s VAL 54 Cb -0.10 -2.30 0.07 0.00 -1.53 0.00 0.00 36.38 32.52 1cx1 s VAL 54 CO 0.01 -0.40 0.63 -0.47 -3.33 0.00 0.00 175.10 171.54 1cx1 s TYR 55 N -3.17 -0.59 0.00 1.54 5.04 -0.45 0.18 117.35 119.90 1cx1 s TYR 55 Ca 0.27 0.68 0.00 0.00 -2.44 0.00 0.00 57.07 55.58 1cx1 s TYR 55 Cb 0.04 0.48 0.00 0.00 0.35 0.00 0.00 41.96 42.83 1cx1 s TYR 55 CO 0.09 -0.74 0.00 0.09 -1.34 0.00 0.00 175.55 173.65 1cx1 n ASN 56 N 0.22 1.31 -1.97 4.32 5.03 -1.26 0.48 115.26 123.38 1cx1 n ASN 56 Ca -0.18 -0.43 -0.00 0.00 0.87 0.00 0.00 54.58 54.84 1cx1 n ASN 56 Cb 0.61 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.37 1cx1 n ASN 56 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1cx1 n GLY 57 N 5.00 -0.55 3.15 7.41 0.00 -1.25 -4.77 105.19 114.18 1cx1 n GLY 57 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.01 -0.90 -0.17 1.61 1.01 -1.26 -4.84 120.40 112.84 1cx1 s VAL 58 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 61.98 61.69 1cx1 s VAL 58 Cb -0.00 -0.62 -0.00 0.00 0.00 0.00 0.00 36.38 35.76 1cx1 s VAL 58 CO 0.23 0.00 1.07 -2.16 0.00 0.00 0.00 175.10 174.23 1cx1 s PRO 59 N 2.54 4.31 0.16 2.72 0.04 -1.26 -4.30 135.00 139.21 1cx1 s PRO 59 Ca 0.14 1.42 0.04 0.00 0.04 0.00 0.00 61.00 62.64 1cx1 s PRO 59 Cb -0.07 -3.62 -0.04 0.00 0.04 0.00 0.00 34.50 30.81 1cx1 s PRO 59 CO -0.20 -0.54 0.20 0.08 0.04 0.00 0.00 177.00 176.58 1cx1 s VAL 60 N 2.82 4.83 -0.28 -0.36 1.01 -1.11 -5.04 120.40 122.27 1cx1 s VAL 60 Ca 0.47 -0.93 -0.16 0.00 0.00 0.00 0.00 61.98 61.37 1cx1 s VAL 60 Cb -0.17 -3.48 0.10 0.00 0.00 0.00 0.00 36.38 32.83 1cx1 s VAL 60 CO 0.11 -0.11 0.77 -0.83 0.00 0.00 0.00 175.10 175.05 1cx1 s GLY 61 N -3.18 -0.47 0.00 4.51 0.00 -1.26 -2.89 107.32 104.04 1cx1 s GLY 61 Ca 0.32 2.63 0.00 0.00 0.00 0.00 0.00 44.72 47.67 1cx1 s GLY 61 CO 0.26 2.51 0.00 -1.84 0.00 0.00 0.00 173.10 174.02 1cx1 n GLU 62 N 4.23 0.60 0.00 2.90 -0.00 -1.25 -3.49 120.64 123.62 1cx1 n GLU 62 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.97 1cx1 n GLU 62 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 32.02 1cx1 n GLU 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1cx1 n GLY 63 N 0.32 0.16 3.97 -1.84 0.00 -1.25 -4.68 105.19 101.87 1cx1 n GLY 63 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 3.42 0.05 1.61 0.41 -1.23 -4.96 118.70 118.00 1cx1 s GLU 64 Ca 0.00 -0.76 0.06 0.00 -0.41 0.00 0.00 54.97 53.86 1cx1 s GLU 64 Cb 0.00 -2.88 -0.04 0.00 -1.78 0.00 0.00 34.13 29.44 1cx1 s GLU 64 CO 0.00 0.40 -0.11 -1.12 -0.49 0.00 0.00 175.26 173.94 1cx1 s SER 65 N -3.99 4.33 0.49 -0.19 0.01 -1.26 -3.35 113.70 109.74 1cx1 s SER 65 Ca 0.35 -0.30 0.07 0.00 1.31 0.00 0.00 55.95 57.38 1cx1 s SER 65 Cb -0.09 -0.88 0.02 0.00 0.21 0.00 0.00 66.02 65.28 1cx1 s SER 65 CO 0.29 0.24 0.47 -0.31 0.41 0.00 0.00 173.24 174.35 1cx1 s TYR 66 N -1.05 2.13 -0.18 2.43 1.51 -1.00 -4.65 117.35 116.54 1cx1 s TYR 66 Ca 0.18 -0.64 -0.09 0.00 -1.01 0.00 0.00 57.07 55.50 1cx1 s TYR 66 Cb -0.11 -2.11 0.07 0.00 -0.11 0.00 0.00 41.96 39.70 1cx1 s TYR 66 CO 0.09 -0.45 0.43 0.08 -1.11 0.00 0.00 175.55 174.60 1cx1 s VAL 67 N -2.60 -0.12 -0.24 0.71 1.01 -0.85 -2.74 120.40 115.58 1cx1 s VAL 67 Ca 0.47 0.10 -0.02 0.00 0.00 0.00 0.00 61.98 62.52 1cx1 s VAL 67 Cb -0.04 -0.65 0.02 0.00 0.00 0.00 0.00 36.38 35.72 1cx1 s VAL 67 CO 0.28 0.04 -0.07 -0.22 0.00 0.00 0.00 175.10 175.13 1cx1 s LEU 68 N 1.61 3.02 -0.88 3.92 2.96 -1.14 -2.28 118.68 125.89 1cx1 s LEU 68 Ca -0.08 -0.73 -0.03 0.00 -0.22 0.00 0.00 54.13 53.06 1cx1 s LEU 68 Cb -0.09 -1.67 0.22 0.00 0.50 0.00 0.00 46.19 45.15 1cx1 s LEU 68 CO -0.13 -0.09 0.76 -0.94 -1.32 0.00 0.00 176.35 174.63 1cx1 s SER 69 N 1.36 6.02 -0.02 3.68 1.04 -1.04 -2.53 113.70 122.21 1cx1 s SER 69 Ca 0.02 -3.59 -0.15 0.00 0.48 0.00 0.00 55.95 52.72 1cx1 s SER 69 Cb -0.16 -1.93 -0.05 0.00 0.10 0.00 0.00 66.02 63.98 1cx1 s SER 69 CO -0.05 -0.22 0.39 0.72 0.98 0.00 0.00 173.24 175.06 1cx1 s PHE 70 N -1.16 3.69 -0.01 5.02 -0.12 -1.12 -3.09 117.98 121.19 1cx1 s PHE 70 Ca 0.26 0.94 -0.23 0.00 -0.05 0.00 0.00 56.93 57.86 1cx1 s PHE 70 Cb -0.09 -2.30 -0.05 0.00 -0.63 0.00 0.00 43.02 39.96 1cx1 s PHE 70 CO -0.11 0.59 0.68 0.95 -0.05 0.00 0.00 175.22 177.28 1cx1 s THR 71 N -0.85 4.90 -0.29 -4.49 -4.23 -0.98 -1.70 115.64 108.00 1cx1 s THR 71 Ca 0.23 1.42 -0.16 0.00 -1.18 0.00 0.00 61.69 62.00 1cx1 s THR 71 Cb -0.16 -4.02 0.18 0.00 1.34 0.00 0.00 72.50 69.83 1cx1 s THR 71 CO 0.12 0.34 1.11 0.00 -0.54 0.00 0.00 174.62 175.66 1cx1 s ALA 72 N 0.19 -2.55 -0.20 3.99 0.00 -1.17 -3.77 121.76 118.25 1cx1 s ALA 72 Ca 0.35 2.07 -0.04 0.00 0.00 0.00 0.00 51.96 54.35 1cx1 s ALA 72 Cb -0.19 -1.90 -0.01 0.00 0.00 0.00 0.00 23.12 21.02 1cx1 s ALA 72 CO 0.19 -0.44 -0.04 -1.54 0.00 0.00 0.00 175.76 173.93 1cx1 s SER 73 N 1.38 4.41 -0.02 0.00 1.04 -1.04 -4.42 113.70 115.06 1cx1 s SER 73 Ca -0.07 -0.33 -0.29 0.00 0.48 0.00 0.00 55.95 55.73 1cx1 s SER 73 Cb -0.03 -1.75 -0.03 0.00 0.10 0.00 0.00 66.02 64.31 1cx1 s SER 73 CO -0.13 0.02 0.94 0.00 0.98 0.00 0.00 173.24 175.06 1cx1 s ALA 74 N 1.22 3.20 -0.17 5.32 0.00 0.16 -3.04 121.76 128.45 1cx1 s ALA 74 Ca 0.03 0.47 -0.04 0.00 0.00 0.00 0.00 51.96 52.42 1cx1 s ALA 74 Cb -0.14 -3.29 0.07 0.00 0.00 0.00 0.00 23.12 19.76 1cx1 s ALA 74 CO -0.01 -0.23 0.16 0.95 0.00 0.00 0.00 175.76 176.62 1cx1 s THR 75 N 1.04 -0.22 0.00 0.00 -4.23 -1.11 -2.64 115.64 108.49 1cx1 s THR 75 Ca 0.50 -0.05 0.00 0.00 -1.18 0.00 0.00 61.69 60.95 1cx1 s THR 75 Cb -0.20 -0.57 0.00 0.00 1.34 0.00 0.00 72.50 73.07 1cx1 s THR 75 CO 0.26 -0.18 0.00 -2.65 -0.54 0.00 0.00 174.62 171.52 1cx1 n PRO 76 N 5.30 3.01 -4.11 3.99 -0.02 -1.26 -1.68 135.00 140.23 1cx1 n PRO 76 Ca -0.06 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.17 1cx1 n PRO 76 Cb 0.49 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.92 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 -1.81 5.39 0.00 2.55 1.11 -1.26 -4.61 116.67 118.04 1cx1 s ASP 77 Ca 0.00 -0.20 0.00 0.00 0.18 0.00 0.00 52.55 52.53 1cx1 s ASP 77 Cb 0.00 -1.36 0.00 0.00 1.07 0.00 0.00 42.92 42.63 1cx1 s ASP 77 CO 0.00 0.05 0.00 0.23 1.18 0.00 0.00 175.17 176.63 1cx1 n MET 78 N -0.45 0.00 -3.07 8.23 2.81 -1.17 -5.05 117.12 118.42 1cx1 n MET 78 Ca -0.08 0.00 -0.33 0.00 -1.81 0.00 0.00 57.70 55.48 1cx1 n MET 78 Cb 0.55 0.00 -0.06 0.00 -0.71 0.00 0.00 33.22 33.00 1cx1 n MET 78 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1cx1 s PRO 79 N -2.00 4.08 0.47 0.03 0.04 -1.26 -3.00 135.00 133.36 1cx1 s PRO 79 Ca 0.00 0.78 0.02 0.00 0.04 0.00 0.00 61.00 61.84 1cx1 s PRO 79 Cb 0.00 -2.44 -0.01 0.00 0.04 0.00 0.00 34.50 32.08 1cx1 s PRO 79 CO 0.00 0.15 0.08 0.14 0.04 0.00 0.00 177.00 177.41 1cx1 s VAL 80 N -1.96 0.77 -0.35 -0.36 -7.23 -0.29 -4.76 120.40 106.22 1cx1 s VAL 80 Ca 0.54 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.72 1cx1 s VAL 80 Cb -0.11 -2.19 0.11 0.00 0.56 0.00 0.00 36.38 34.75 1cx1 s VAL 80 CO 0.17 0.00 0.11 -0.60 -0.31 0.00 0.00 175.10 174.48 1cx1 s ARG 81 N -3.77 1.06 -0.06 4.82 3.52 -1.16 -3.02 118.95 120.34 1cx1 s ARG 81 Ca 0.13 -1.50 -0.05 0.00 -0.13 0.00 0.00 55.73 54.18 1cx1 s ARG 81 Cb 0.01 -2.42 -0.04 0.00 -1.56 0.00 0.00 34.95 30.94 1cx1 s ARG 81 CO 0.09 -1.01 0.18 0.14 -0.81 0.00 0.00 175.30 173.89 1cx1 s VAL 82 N 1.15 5.45 0.05 7.11 -7.23 -1.07 -2.88 120.40 122.98 1cx1 s VAL 82 Ca 0.12 0.06 -0.08 0.00 -1.81 0.00 0.00 61.98 60.27 1cx1 s VAL 82 Cb -0.19 -3.49 -0.00 0.00 0.56 0.00 0.00 36.38 33.26 1cx1 s VAL 82 CO -0.15 0.46 0.15 -1.48 -0.31 0.00 0.00 175.10 173.77 1cx1 s LEU 83 N -1.51 1.56 -0.08 1.32 0.05 -1.12 -2.59 118.68 116.31 1cx1 s LEU 83 Ca 0.22 -0.53 -0.22 0.00 0.05 0.00 0.00 54.13 53.64 1cx1 s LEU 83 Cb -0.12 0.85 0.05 0.00 -2.05 0.00 0.00 46.19 44.91 1cx1 s LEU 83 CO 0.12 -0.60 0.52 -0.69 -0.55 0.00 0.00 176.35 175.15 1cx1 s VAL 84 N -3.05 0.02 -2.15 1.48 1.01 -0.95 -2.30 120.40 114.45 1cx1 s VAL 84 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.81 1cx1 s VAL 84 Cb 0.01 -0.80 0.00 0.00 0.00 0.00 0.00 36.38 35.59 1cx1 s VAL 84 CO -0.07 -0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.56 1cx1 n GLY 85 N 1.59 -0.67 0.00 4.51 0.00 -1.15 -1.57 105.19 107.90 1cx1 n GLY 85 Ca -0.18 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1cx1 n GLY 85 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1cx1 n GLU 86 N 0.00 1.81 -3.33 1.61 0.00 -1.26 -0.83 120.64 118.64 1cx1 n GLU 86 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 57.16 57.03 1cx1 n GLU 86 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 31.44 31.38 1cx1 n GLU 86 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1cx1 s GLY 87 N -1.20 -0.33 0.00 -1.84 0.00 -1.26 -4.59 107.32 98.10 1cx1 s GLY 87 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 44.72 44.20 1cx1 s GLY 87 CO 0.00 2.94 0.00 0.61 0.00 0.00 0.00 173.10 176.65 1cx1 n GLY 88 N 4.56 3.72 3.79 0.20 0.00 -1.26 -4.54 105.19 111.67 1cx1 n GLY 88 Ca 0.08 -0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 1cx1 n GLY 88 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1cx1 s GLY 89 N 0.00 2.64 0.00 -0.02 0.00 -1.26 -3.66 107.32 105.02 1cx1 s GLY 89 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 44.72 45.26 1cx1 s GLY 89 CO 0.00 0.92 0.00 0.00 0.00 0.00 0.00 173.10 174.02 1cx1 n ALA 90 N -0.08 0.00 -1.09 3.20 0.00 -1.26 -3.78 120.51 117.49 1cx1 n ALA 90 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.46 1cx1 n ALA 90 Cb 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.95 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 0.00 0.00 -1.17 0.00 4.01 -1.24 -4.87 117.16 113.89 1cx1 n TYR 91 Ca 0.00 0.00 -0.53 0.00 -0.16 0.00 0.00 57.90 57.21 1cx1 n TYR 91 Cb 0.00 -0.94 -0.10 0.00 -0.31 0.00 0.00 39.34 38.00 1cx1 n TYR 91 CO 0.00 0.00 0.00 2.89 -0.46 0.00 0.00 176.86 179.29 1cx1 n ARG 92 N -2.54 0.00 -4.36 -0.72 1.85 -1.25 -4.74 116.66 104.90 1cx1 n ARG 92 Ca -0.03 0.00 -0.25 0.00 -1.00 0.00 0.00 57.85 56.57 1cx1 n ARG 92 Cb 0.15 -1.29 -0.09 0.00 -1.05 0.00 0.00 32.46 30.18 1cx1 n ARG 92 CO 0.00 0.00 0.00 -0.08 -0.01 0.00 0.00 177.63 177.54 1cx1 s THR 93 N 4.58 2.59 -0.03 8.89 -1.32 -1.26 -4.46 115.64 124.64 1cx1 s THR 93 Ca 1.00 -1.99 0.11 0.00 -1.21 0.00 0.00 61.69 59.60 1cx1 s THR 93 Cb -1.29 -2.78 -0.17 0.00 -1.51 0.00 0.00 72.50 66.75 1cx1 s THR 93 CO 0.60 -0.20 0.22 0.00 -2.21 0.00 0.00 174.62 173.02 1cx1 n ALA 94 N -0.94 2.33 -0.80 11.08 0.00 -1.24 -4.48 120.51 126.47 1cx1 n ALA 94 Ca -0.04 -0.31 -0.18 0.00 0.00 0.00 0.00 53.44 52.91 1cx1 n ALA 94 Cb 0.62 -0.33 0.05 0.00 0.00 0.00 0.00 19.45 19.80 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 -1.94 1.71 -2.66 0.00 -0.00 -0.61 -4.90 117.46 109.06 1cx1 n PHE 95 Ca -0.04 -1.93 -0.43 0.00 -0.00 0.00 0.00 57.45 55.06 1cx1 n PHE 95 Cb 0.35 -0.94 -0.02 0.00 -0.00 0.00 0.00 39.48 38.87 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 -1.99 3.95 -0.03 -4.13 -1.05 -1.26 -2.25 118.70 111.94 1cx1 s GLU 96 Ca 0.34 0.87 -0.01 0.00 -0.15 0.00 0.00 54.97 56.02 1cx1 s GLU 96 Cb 0.27 -3.79 0.02 0.00 -0.44 0.00 0.00 34.13 30.19 1cx1 s GLU 96 CO 0.01 -1.03 0.06 -1.14 0.95 0.00 0.00 175.26 174.11 1cx1 s GLN 97 N 3.82 0.01 0.00 -4.83 0.74 -1.07 -5.02 119.66 113.31 1cx1 s GLN 97 Ca 0.45 0.19 0.00 0.00 0.05 0.00 0.00 55.36 56.05 1cx1 s GLN 97 Cb -0.11 -0.15 0.00 0.00 1.10 0.00 0.00 33.01 33.85 1cx1 s GLN 97 CO 0.20 -0.12 0.92 0.41 -0.55 0.00 0.00 175.29 176.15 1cx1 n GLY 98 N 3.86 2.25 2.68 2.59 0.00 -1.26 -2.59 105.19 112.71 1cx1 n GLY 98 Ca -0.23 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.51 1cx1 n GLY 98 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1cx1 n SER 99 N -0.43 4.35 -4.14 1.61 7.64 -1.26 -4.65 113.62 116.74 1cx1 n SER 99 Ca 0.00 -3.56 -0.38 0.00 1.01 0.00 0.00 58.87 55.94 1cx1 n SER 99 Cb 0.25 -0.67 -0.09 0.00 -1.01 0.00 0.00 64.21 62.69 1cx1 n SER 99 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1cx1 s ALA 100 N -3.00 3.46 0.10 -0.43 0.00 -1.17 -4.96 121.76 115.75 1cx1 s ALA 100 Ca 0.43 -2.93 -0.30 0.00 0.00 0.00 0.00 51.96 49.17 1cx1 s ALA 100 Cb 0.20 -2.67 -0.05 0.00 0.00 0.00 0.00 23.12 20.60 1cx1 s ALA 100 CO -0.07 -1.99 0.97 -1.25 0.00 0.00 0.00 175.76 173.42 1cx1 s PRO 101 N 0.55 4.68 -0.01 0.00 0.04 -1.26 -1.14 135.00 137.85 1cx1 s PRO 101 Ca 0.13 1.45 0.01 0.00 0.04 0.00 0.00 61.00 62.63 1cx1 s PRO 101 Cb -0.21 -3.39 0.00 0.00 0.04 0.00 0.00 34.50 30.94 1cx1 s PRO 101 CO -0.04 0.17 -0.03 -0.51 0.04 0.00 0.00 177.00 176.63 1cx1 s LEU 102 N 0.15 1.79 0.00 -3.56 1.43 -1.16 -4.99 118.68 112.33 1cx1 s LEU 102 Ca 0.48 -0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.51 1cx1 s LEU 102 Cb -0.23 -0.23 0.00 0.00 0.03 0.00 0.00 46.19 45.76 1cx1 s LEU 102 CO 0.30 0.01 0.00 1.07 0.23 0.00 0.00 176.35 177.96 1cx1 n THR 103 N 3.29 0.00 -2.50 5.49 5.66 -1.26 -3.02 114.28 121.94 1cx1 n THR 103 Ca -0.17 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.46 1cx1 n THR 103 Cb 0.56 -0.60 0.01 0.00 -1.55 0.00 0.00 70.33 68.76 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 5.91 3.27 1.09 0.00 -1.08 0.39 105.19 119.77 1cx1 n GLY 104 Ca 0.00 -2.60 -0.14 0.00 0.00 0.00 0.00 46.02 43.28 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 -4.09 0.73 -0.16 1.61 2.02 -1.26 -4.96 118.70 112.60 1cx1 s GLU 105 Ca 0.44 -0.17 -0.29 0.00 0.02 0.00 0.00 54.97 54.97 1cx1 s GLU 105 Cb 0.28 0.33 -0.03 0.00 0.10 0.00 0.00 34.13 34.81 1cx1 s GLU 105 CO -0.21 -0.21 1.47 -1.25 0.02 0.00 0.00 175.26 175.09 1cx1 s PRO 106 N -1.43 4.08 -0.17 0.39 0.04 -1.26 -4.31 135.00 132.34 1cx1 s PRO 106 Ca -0.12 1.79 -0.29 0.00 0.04 0.00 0.00 61.00 62.41 1cx1 s PRO 106 Cb -0.04 -3.91 0.11 0.00 0.04 0.00 0.00 34.50 30.70 1cx1 s PRO 106 CO 0.04 -0.93 0.93 0.00 0.04 0.00 0.00 177.00 177.08 1cx1 s ALA 107 N 4.15 -1.90 0.13 8.56 0.00 -1.26 -5.03 121.76 126.42 1cx1 s ALA 107 Ca 0.65 1.62 -0.14 0.00 0.00 0.00 0.00 51.96 54.08 1cx1 s ALA 107 Cb -0.26 -0.75 -0.07 0.00 0.00 0.00 0.00 23.12 22.04 1cx1 s ALA 107 CO 0.23 -0.31 0.54 0.95 0.00 0.00 0.00 175.76 177.18 1cx1 s THR 108 N -0.75 4.86 -0.14 0.00 -4.23 -1.26 -3.02 115.64 111.10 1cx1 s THR 108 Ca -0.02 0.84 -0.05 0.00 -1.18 0.00 0.00 61.69 61.28 1cx1 s THR 108 Cb -0.02 -3.74 -0.04 0.00 1.34 0.00 0.00 72.50 70.04 1cx1 s THR 108 CO 0.02 0.28 0.04 -0.13 -0.54 0.00 0.00 174.62 174.28 1cx1 s ARG 109 N -1.87 3.56 -0.39 3.99 1.81 -0.69 -4.86 118.95 120.50 1cx1 s ARG 109 Ca 0.37 -0.37 -0.06 0.00 -1.72 0.00 0.00 55.73 53.94 1cx1 s ARG 109 Cb -0.15 -3.03 0.08 0.00 -0.45 0.00 0.00 34.95 31.39 1cx1 s ARG 109 CO 0.19 0.46 0.19 -1.21 -0.68 0.00 0.00 175.30 174.25 1cx1 s GLU 110 N -0.18 2.46 -0.42 3.54 8.01 -1.24 -2.81 118.70 128.06 1cx1 s GLU 110 Ca 0.06 -1.47 -0.06 0.00 0.01 0.00 0.00 54.97 53.51 1cx1 s GLU 110 Cb -0.12 -3.61 0.10 0.00 -4.31 0.00 0.00 34.13 26.18 1cx1 s GLU 110 CO 0.02 -0.89 0.24 0.71 0.01 0.00 0.00 175.26 175.35 1cx1 s TYR 111 N 1.34 3.44 0.36 1.61 2.02 -1.05 -4.87 117.35 120.21 1cx1 s TYR 111 Ca 0.02 -1.96 0.08 0.00 -0.37 0.00 0.00 57.07 54.84 1cx1 s TYR 111 Cb -0.22 -3.13 -0.04 0.00 -0.40 0.00 0.00 41.96 38.17 1cx1 s TYR 111 CO 0.00 -0.93 0.20 0.00 -1.57 0.00 0.00 175.55 173.26 1cx1 s ALA 112 N 1.30 3.64 0.00 3.71 0.00 -1.26 -2.88 121.76 126.26 1cx1 s ALA 112 Ca 0.05 -1.85 0.00 0.00 0.00 0.00 0.00 51.96 50.16 1cx1 s ALA 112 Cb -0.24 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.10 1cx1 s ALA 112 CO -0.01 -0.03 0.00 1.97 0.00 0.00 0.00 175.76 177.69 1cx1 n PHE 113 N -1.25 -0.03 -4.86 0.00 -1.74 -1.11 -4.95 117.46 103.53 1cx1 n PHE 113 Ca -0.02 0.00 -0.27 0.00 -0.56 0.00 0.00 57.45 56.60 1cx1 n PHE 113 Cb 0.62 0.00 -0.15 0.00 1.52 0.00 0.00 39.48 41.47 1cx1 n PHE 113 CO 0.00 0.00 0.00 0.95 -0.56 0.00 0.00 176.76 177.15 1cx1 s THR 114 N -2.12 1.80 0.52 1.97 -4.23 -1.26 -2.36 115.64 109.95 1cx1 s THR 114 Ca 0.00 -1.15 -0.05 0.00 -1.18 0.00 0.00 61.69 59.31 1cx1 s THR 114 Cb 0.00 -1.53 -0.02 0.00 1.34 0.00 0.00 72.50 72.29 1cx1 s THR 114 CO 0.00 0.34 0.83 -0.55 -0.54 0.00 0.00 174.62 174.70 1cx1 s SER 115 N -0.96 6.05 0.00 3.99 0.15 -1.21 -4.97 113.70 116.75 1cx1 s SER 115 Ca 0.09 0.86 0.00 0.00 0.70 0.00 0.00 55.95 57.60 1cx1 s SER 115 Cb -0.09 -2.07 0.00 0.00 -1.71 0.00 0.00 66.02 62.15 1cx1 s SER 115 CO 0.01 -0.74 0.00 -3.20 1.20 0.00 0.00 173.24 170.51 1cx1 n ASN 116 N -2.37 1.60 -4.37 5.45 2.85 -1.26 -3.79 115.26 113.37 1cx1 n ASN 116 Ca 0.02 -0.14 -0.23 0.00 -0.11 0.00 0.00 54.58 54.12 1cx1 n ASN 116 Cb 0.56 0.61 -0.11 0.00 1.24 0.00 0.00 39.78 42.07 1cx1 n ASN 116 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1cx1 s LEU 117 N -1.53 2.46 -0.44 1.20 2.96 -1.26 -4.82 118.68 117.24 1cx1 s LEU 117 Ca 0.00 -0.89 -0.19 0.00 -0.22 0.00 0.00 54.13 52.83 1cx1 s LEU 117 Cb 0.00 -0.93 0.03 0.00 0.50 0.00 0.00 46.19 45.79 1cx1 s LEU 117 CO 0.00 0.00 0.58 0.42 -1.32 0.00 0.00 176.35 176.03 1cx1 s THR 118 N -2.04 4.92 -0.55 3.68 -4.23 -1.26 -3.86 115.64 112.29 1cx1 s THR 118 Ca 0.19 -0.13 -0.01 0.00 -1.18 0.00 0.00 61.69 60.56 1cx1 s THR 118 Cb -0.06 -4.17 0.14 0.00 1.34 0.00 0.00 72.50 69.75 1cx1 s THR 118 CO 0.08 -0.58 0.34 -0.36 -0.54 0.00 0.00 174.62 173.56 1cx1 s PHE 119 N 2.58 3.41 0.73 3.99 0.08 -1.14 -5.05 117.98 122.57 1cx1 s PHE 119 Ca 0.18 -2.79 -0.11 0.00 0.12 0.00 0.00 56.93 54.32 1cx1 s PHE 119 Cb -0.16 -3.10 0.03 0.00 -0.57 0.00 0.00 43.02 39.22 1cx1 s PHE 119 CO 0.16 -0.85 1.11 -1.25 -0.10 0.00 0.00 175.22 174.30 1cx1 s PRO 120 N 0.13 2.64 0.35 0.24 0.04 -1.26 -2.76 135.00 134.38 1cx1 s PRO 120 Ca 0.15 0.36 0.19 0.00 0.04 0.00 0.00 61.00 61.73 1cx1 s PRO 120 Cb -0.22 -2.01 0.19 0.00 0.04 0.00 0.00 34.50 32.50 1cx1 s PRO 120 CO -0.03 -1.16 1.51 -1.00 0.04 0.00 0.00 177.00 176.36 1cx1 h PRO 121 N -0.74 0.00 -4.84 0.56 0.13 -1.91 -3.42 132.00 121.78 1cx1 h PRO 121 Ca -0.45 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.00 1cx1 h PRO 121 Cb 1.27 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.13 1cx1 h PRO 121 CO 0.64 0.27 -0.66 -0.51 -0.23 0.00 0.00 178.00 177.52 1cx1 s ASP 122 N -6.34 4.91 0.00 1.44 1.11 -1.26 -4.23 116.67 112.29 1cx1 s ASP 122 Ca 0.05 -0.72 0.00 0.00 0.18 0.00 0.00 52.55 52.06 1cx1 s ASP 122 Cb 0.06 -1.83 0.00 0.00 1.07 0.00 0.00 42.92 42.23 1cx1 s ASP 122 CO 0.71 -0.16 0.00 0.61 1.18 0.00 0.00 175.17 177.51 1cx1 n GLY 123 N 4.82 0.16 0.00 0.21 0.00 -1.26 -4.99 105.19 104.13 1cx1 n GLY 123 Ca -0.15 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1cx1 n GLY 123 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cx1 n ASP 124 N 0.00 0.00 -4.18 1.61 9.92 -1.26 -4.76 116.55 117.88 1cx1 n ASP 124 Ca 0.00 0.24 -0.19 0.00 -0.53 0.00 0.00 54.79 54.31 1cx1 n ASP 124 Cb 0.00 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 40.36 1cx1 n ASP 124 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1cx1 s ALA 125 N -2.81 1.26 1.00 2.24 0.00 -1.26 -5.06 121.76 117.13 1cx1 s ALA 125 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.94 1cx1 s ALA 125 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.00 1cx1 s ALA 125 CO 0.00 0.20 0.00 -0.35 0.00 0.00 0.00 175.76 175.61 1cx1 n PRO 126 N 1.30 1.23 -0.94 0.00 -0.04 -1.26 -4.71 135.00 130.58 1cx1 n PRO 126 Ca -0.21 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 62.95 1cx1 n PRO 126 Cb 0.54 0.00 0.16 0.00 -0.04 0.00 0.00 33.50 34.16 1cx1 n PRO 126 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1cx1 s GLY 127 N -0.86 1.64 0.02 0.55 0.00 -1.26 -4.26 107.32 103.15 1cx1 s GLY 127 Ca 0.00 0.19 -0.12 0.00 0.00 0.00 0.00 44.72 44.79 1cx1 s GLY 127 CO 0.00 0.67 0.25 1.62 0.00 0.00 0.00 173.10 175.64 1cx1 s GLN 128 N -4.76 0.70 -0.22 2.90 -0.44 -0.01 -3.84 119.66 113.98 1cx1 s GLN 128 Ca 0.65 -0.46 -0.14 0.00 -2.50 0.00 0.00 55.36 52.92 1cx1 s GLN 128 Cb -0.20 0.30 0.07 0.00 -1.64 0.00 0.00 33.01 31.53 1cx1 s GLN 128 CO 0.58 -0.20 0.55 0.08 0.50 0.00 0.00 175.29 176.81 1cx1 s VAL 129 N -2.11 -0.01 -0.29 1.34 1.01 0.18 -2.93 120.40 117.59 1cx1 s VAL 129 Ca -0.08 0.04 -0.04 0.00 0.00 0.00 0.00 61.98 61.90 1cx1 s VAL 129 Cb -0.03 -0.81 0.10 0.00 0.00 0.00 0.00 36.38 35.64 1cx1 s VAL 129 CO -0.01 0.02 0.13 0.00 0.00 0.00 0.00 175.10 175.23 1cx1 s ALA 130 N 1.38 0.66 -0.71 5.51 0.00 -0.97 -1.34 121.76 126.28 1cx1 s ALA 130 Ca -0.09 -1.11 -0.24 0.00 0.00 0.00 0.00 51.96 50.53 1cx1 s ALA 130 Cb -0.06 -1.40 0.06 0.00 0.00 0.00 0.00 23.12 21.72 1cx1 s ALA 130 CO -0.14 -1.65 1.10 -0.06 0.00 0.00 0.00 175.76 175.01 1cx1 s PHE 131 N 2.08 2.55 -0.15 0.00 0.40 0.13 -2.81 117.98 120.18 1cx1 s PHE 131 Ca 0.09 -0.42 -0.08 0.00 -0.60 0.00 0.00 56.93 55.91 1cx1 s PHE 131 Cb -0.16 -4.43 -0.04 0.00 0.51 0.00 0.00 43.02 38.90 1cx1 s PHE 131 CO -0.36 -1.80 0.15 -1.01 0.70 0.00 0.00 175.22 172.89 1cx1 s HIS 132 N 4.62 3.53 0.00 0.36 3.76 -1.14 -2.52 115.29 123.90 1cx1 s HIS 132 Ca 0.28 0.47 0.00 0.00 -0.15 0.00 0.00 55.06 55.66 1cx1 s HIS 132 Cb -0.13 -2.04 0.00 0.00 1.11 0.00 0.00 32.58 31.53 1cx1 s HIS 132 CO 0.10 0.56 0.00 1.28 -0.85 0.00 0.00 174.74 175.83 1cx1 n LEU 133 N 2.58 0.71 -4.58 0.89 4.32 -1.26 -2.99 117.00 116.66 1cx1 n LEU 133 Ca -0.18 0.00 -0.64 0.00 -0.02 0.00 0.00 56.01 55.16 1cx1 n LEU 133 Cb 0.54 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.23 1cx1 n LEU 133 CO 0.34 0.12 1.36 0.61 -1.22 0.00 0.00 177.39 178.59 1cx1 n GLY 134 N 1.94 0.13 3.55 -0.72 0.00 -1.26 -4.27 105.19 104.56 1cx1 n GLY 134 Ca 0.00 1.04 -0.15 0.00 0.00 0.00 0.00 46.02 46.91 1cx1 n GLY 134 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cx1 s LYS 135 N 4.07 0.85 0.36 1.61 1.02 -1.26 -4.08 119.74 122.31 1cx1 s LYS 135 Ca 1.09 0.23 0.04 0.00 0.02 0.00 0.00 55.97 57.35 1cx1 s LYS 135 Cb -1.46 0.40 0.19 0.00 -0.52 0.00 0.00 37.83 36.45 1cx1 s LYS 135 CO 0.75 -0.26 0.91 0.00 -0.92 0.00 0.00 175.35 175.83 1cx1 h ALA 136 N 2.88 1.46 -0.00 5.17 0.00 -1.79 4.84 119.26 131.81 1cx1 h ALA 136 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1cx1 h ALA 136 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1cx1 h ALA 136 CO 0.34 -0.46 -0.12 0.41 0.00 0.00 0.00 179.25 179.43 1cx1 n GLY 137 N -1.27 -0.29 2.94 0.00 0.00 -1.26 -4.65 105.19 100.66 1cx1 n GLY 137 Ca -0.00 -0.18 -0.21 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.25 -0.96 -2.00 4.61 0.00 1.58 -4.84 120.51 118.65 1cx1 n ALA 138 Ca 0.03 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.63 1cx1 n ALA 138 Cb 0.14 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 18.99 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 -3.58 0.00 -4.95 0.00 0.18 0.53 -4.40 117.16 104.93 1cx1 n TYR 139 Ca 0.00 0.00 -0.28 0.00 1.88 0.00 0.00 57.90 59.50 1cx1 n TYR 139 Cb 0.41 0.00 -0.16 0.00 -0.38 0.00 0.00 39.34 39.20 1cx1 n TYR 139 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 1cx1 s GLU 140 N 2.12 2.11 -0.34 -3.48 2.02 -0.68 -0.22 118.70 120.23 1cx1 s GLU 140 Ca 0.00 -0.69 -0.01 0.00 0.02 0.00 0.00 54.97 54.29 1cx1 s GLU 140 Cb 0.00 -1.77 0.07 0.00 0.10 0.00 0.00 34.13 32.54 1cx1 s GLU 140 CO 0.00 0.24 0.07 0.12 0.02 0.00 0.00 175.26 175.71 1cx1 s PHE 141 N 0.10 3.42 -0.90 1.61 5.36 -1.19 -2.74 117.98 123.65 1cx1 s PHE 141 Ca -0.07 -2.16 -0.13 0.00 -0.96 0.00 0.00 56.93 53.61 1cx1 s PHE 141 Cb -0.13 -2.54 0.23 0.00 -0.34 0.00 0.00 43.02 40.24 1cx1 s PHE 141 CO 0.04 -0.87 0.85 0.00 -1.46 0.00 0.00 175.22 173.77 1cx1 s ILE 143 N -0.16 4.90 0.00 0.00 2.07 -0.68 -2.50 121.20 124.83 1cx1 s ILE 143 Ca 0.21 -0.06 0.00 0.00 -1.41 0.00 0.00 60.65 59.39 1cx1 s ILE 143 Cb -0.10 -3.12 0.00 0.00 0.13 0.00 0.00 42.46 39.37 1cx1 s ILE 143 CO -0.09 0.58 0.05 -1.54 -1.91 0.00 0.00 174.94 172.04 1cx1 n SER 144 N 1.95 0.11 -3.93 4.50 3.41 -1.25 -2.46 113.62 115.96 1cx1 n SER 144 Ca -0.18 -0.91 -0.09 0.00 -0.26 0.00 0.00 58.87 57.43 1cx1 n SER 144 Cb 0.54 0.01 -0.05 0.00 -0.26 0.00 0.00 64.21 64.45 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 -0.01 1.38 -0.30 4.33 -0.21 -1.26 -1.87 119.66 121.71 1cx1 s GLN 145 Ca 0.00 -1.14 -0.17 0.00 0.02 0.00 0.00 55.36 54.07 1cx1 s GLN 145 Cb 0.00 0.45 0.18 0.00 1.00 0.00 0.00 33.01 34.64 1cx1 s GLN 145 CO 0.00 -0.56 1.16 0.54 -2.12 0.00 0.00 175.29 174.32 1cx1 s VAL 146 N -3.97 -0.21 -0.05 1.09 0.11 -1.26 -2.31 120.40 113.79 1cx1 s VAL 146 Ca 0.18 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.25 1cx1 s VAL 146 Cb 0.01 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.87 1cx1 s VAL 146 CO 0.03 0.00 -0.09 -0.44 -3.33 0.00 0.00 175.10 171.28 1cx1 s SER 147 N 2.46 1.34 -0.24 3.54 0.01 -1.18 -4.30 113.70 115.33 1cx1 s SER 147 Ca -0.02 -0.21 -0.05 0.00 1.31 0.00 0.00 55.95 56.98 1cx1 s SER 147 Cb -0.05 -0.57 -0.01 0.00 0.21 0.00 0.00 66.02 65.60 1cx1 s SER 147 CO -0.14 0.01 -0.00 -0.22 0.41 0.00 0.00 173.24 173.30 1cx1 s LEU 148 N 0.63 3.18 0.44 2.44 2.96 -1.26 -2.49 118.68 124.57 1cx1 s LEU 148 Ca -0.11 -0.44 0.03 0.00 -0.22 0.00 0.00 54.13 53.40 1cx1 s LEU 148 Cb -0.14 -1.79 -0.04 0.00 0.50 0.00 0.00 46.19 44.72 1cx1 s LEU 148 CO 0.02 -0.06 0.04 0.28 -1.32 0.00 0.00 176.35 175.31 1cx1 s THR 149 N 1.50 1.24 0.00 3.68 -1.32 -0.97 -2.63 115.64 117.14 1cx1 s THR 149 Ca 0.05 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.53 1cx1 s THR 149 Cb -0.15 -2.48 0.00 0.00 -1.51 0.00 0.00 72.50 68.36 1cx1 s THR 149 CO -0.01 0.00 0.00 1.07 -2.21 0.00 0.00 174.62 173.47 1cx1 n THR 150 N -1.04 0.00 -0.99 5.08 5.66 -1.26 -2.01 114.28 119.72 1cx1 n THR 150 Ca -0.11 0.00 0.10 0.00 -3.05 0.00 0.00 64.05 60.99 1cx1 n THR 150 Cb 0.67 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.41 1cx1 n THR 150 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1cx1 n SER 151 N -1.35 -4.56 -3.63 1.09 2.88 -1.26 -4.70 113.62 102.10 1cx1 n SER 151 Ca 0.00 0.53 -0.22 0.00 -1.33 0.00 0.00 58.87 57.85 1cx1 n SER 151 Cb 0.00 -3.16 -0.06 0.00 -0.75 0.00 0.00 64.21 60.25 1cx1 n SER 151 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1cx1 n ALA 152 N -2.64 0.43 0.11 -1.46 0.00 -1.26 -4.78 120.51 110.91 1cx1 n ALA 152 Ca -0.02 -1.72 0.01 0.00 0.00 0.00 0.00 53.44 51.71 1cx1 n ALA 152 Cb 0.60 1.09 0.01 0.00 0.00 0.00 0.00 19.45 21.15 1cx1 n ALA 152 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13