#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 -7.14 -3.71 0.00 3.41 -1.26 -5.03 113.62 99.89 1cx1 n SER 2 Ca 0.00 0.30 -0.16 0.00 -0.26 0.00 0.00 58.87 58.75 1cx1 n SER 2 Cb 0.00 -4.16 -0.08 0.00 -0.26 0.00 0.00 64.21 59.71 1cx1 n SER 2 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1cx1 s LEU 3 N -2.58 1.40 0.00 1.04 1.02 -1.25 -4.76 118.68 113.56 1cx1 s LEU 3 Ca 0.29 -1.56 0.00 0.00 0.02 0.00 0.00 54.13 52.88 1cx1 s LEU 3 Cb -0.06 0.60 0.00 0.00 0.02 0.00 0.00 46.19 46.75 1cx1 s LEU 3 CO 0.81 -0.99 0.00 -0.67 0.02 0.00 0.00 176.35 175.51 1cx1 n ASP 4 N -0.99 -0.59 -2.81 2.29 2.03 -1.25 -3.16 116.55 112.07 1cx1 n ASP 4 Ca 0.05 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.33 1cx1 n ASP 4 Cb 0.64 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 41.02 1cx1 n ASP 4 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1cx1 n SER 5 N -0.89 -4.37 -4.68 1.67 2.88 -1.26 -4.76 113.62 102.21 1cx1 n SER 5 Ca 0.00 1.16 -0.42 0.00 -1.33 0.00 0.00 58.87 58.27 1cx1 n SER 5 Cb 0.00 -3.19 -0.03 0.00 -0.75 0.00 0.00 64.21 60.24 1cx1 n SER 5 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1cx1 s GLU 6 N -0.29 4.31 -0.89 -1.46 8.01 -1.26 -4.84 118.70 122.27 1cx1 s GLU 6 Ca -0.12 1.74 -0.22 0.00 0.01 0.00 0.00 54.97 56.38 1cx1 s GLU 6 Cb 0.01 -3.61 0.08 0.00 -4.31 0.00 0.00 34.13 26.29 1cx1 s GLU 6 CO 0.33 -0.53 1.24 0.08 0.01 0.00 0.00 175.26 176.38 1cx1 s VAL 7 N 2.56 4.22 -0.21 2.63 1.01 -1.26 -4.99 120.40 124.37 1cx1 s VAL 7 Ca 0.57 -0.80 -0.13 0.00 0.00 0.00 0.00 61.98 61.62 1cx1 s VAL 7 Cb -0.25 -4.89 -0.04 0.00 0.00 0.00 0.00 36.38 31.19 1cx1 s VAL 7 CO 0.21 -1.71 0.29 -1.83 0.00 0.00 0.00 175.10 172.06 1cx1 s GLU 8 N 4.19 4.16 0.13 2.72 1.03 -1.26 -4.10 118.70 125.57 1cx1 s GLU 8 Ca 0.36 0.01 0.26 0.00 0.03 0.00 0.00 54.97 55.63 1cx1 s GLU 8 Cb -0.05 -3.51 0.66 0.00 -0.80 0.00 0.00 34.13 30.42 1cx1 s GLU 8 CO -0.03 0.06 1.59 1.28 -1.33 0.00 0.00 175.26 176.83 1cx1 n LEU 9 N 4.20 0.65 -3.92 1.83 4.77 -1.14 -4.37 117.00 119.02 1cx1 n LEU 9 Ca -0.12 0.38 -0.29 0.00 -0.03 0.00 0.00 56.01 55.96 1cx1 n LEU 9 Cb 0.52 -0.28 -0.13 0.00 -2.33 0.00 0.00 43.42 41.20 1cx1 n LEU 9 CO 0.38 -0.08 -0.08 -0.22 -1.33 0.00 0.00 177.39 176.06 1cx1 s LEU 10 N -4.09 4.68 0.00 2.23 1.98 -1.26 -4.95 118.68 117.26 1cx1 s LEU 10 Ca 0.09 -3.59 0.00 0.00 -2.89 0.00 0.00 54.13 47.75 1cx1 s LEU 10 Cb 0.14 -1.64 0.00 0.00 0.66 0.00 0.00 46.19 45.35 1cx1 s LEU 10 CO 0.64 -0.13 0.02 -2.65 -1.89 0.00 0.00 176.35 172.34 1cx1 n PRO 11 N 2.33 0.01 -3.66 0.98 -0.02 -1.26 -4.39 135.00 129.00 1cx1 n PRO 11 Ca 0.15 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.33 1cx1 n PRO 11 Cb 0.34 -1.49 -0.15 0.00 -0.02 0.00 0.00 33.50 32.18 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 1.39 1.23 -0.36 6.00 2.46 -1.26 -4.99 115.29 119.76 1cx1 s HIS 12 Ca 0.00 -1.49 0.14 0.00 0.47 0.00 0.00 55.06 54.18 1cx1 s HIS 12 Cb 0.00 -1.43 0.40 0.00 -0.13 0.00 0.00 32.58 31.43 1cx1 s HIS 12 CO 0.00 -0.86 0.86 -2.37 -2.47 0.00 0.00 174.74 169.91 1cx1 n THR 13 N 4.87 0.69 -2.92 0.89 5.66 -1.26 -4.63 114.28 117.59 1cx1 n THR 13 Ca -0.02 -3.99 -0.03 0.00 -3.05 0.00 0.00 64.05 56.96 1cx1 n THR 13 Cb 0.41 0.02 0.00 0.00 -1.55 0.00 0.00 70.33 69.22 1cx1 n THR 13 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1cx1 s SER 14 N -2.87 -1.41 -0.02 1.09 0.15 -1.22 -4.07 113.70 105.34 1cx1 s SER 14 Ca 0.35 -1.45 -0.01 0.00 0.70 0.00 0.00 55.95 55.54 1cx1 s SER 14 Cb 0.40 1.88 -0.04 0.00 -1.71 0.00 0.00 66.02 66.54 1cx1 s SER 14 CO -0.04 -0.09 1.06 0.49 1.20 0.00 0.00 173.24 175.86 1cx1 n PHE 15 N 3.42 0.04 0.00 3.44 3.01 -0.62 -4.59 117.46 122.16 1cx1 n PHE 15 Ca 0.16 -0.32 0.00 0.00 1.01 0.00 0.00 57.45 58.30 1cx1 n PHE 15 Cb 0.56 -0.63 0.00 0.00 -0.01 0.00 0.00 39.48 39.40 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 3.07 0.00 -1.65 4.37 0.00 -1.25 -4.23 120.51 120.82 1cx1 n ALA 16 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.24 1cx1 n ALA 16 Cb 0.15 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.66 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 0.00 3.07 -3.59 0.00 -0.58 -1.26 -4.55 120.64 113.73 1cx1 n GLU 17 Ca 0.00 -3.69 -0.07 0.00 -0.42 0.00 0.00 57.16 52.98 1cx1 n GLU 17 Cb 0.00 -2.26 -0.04 0.00 -0.57 0.00 0.00 31.44 28.57 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 -2.68 -0.23 0.18 1.62 0.01 -1.26 -5.01 113.70 106.33 1cx1 s SER 18 Ca 0.57 0.18 0.26 0.00 1.31 0.00 0.00 55.95 58.27 1cx1 s SER 18 Cb 0.46 0.21 0.90 0.00 0.21 0.00 0.00 66.02 67.79 1cx1 s SER 18 CO 0.02 -0.27 1.78 0.00 0.41 0.00 0.00 173.24 175.17 1cx1 n LEU 19 N 0.39 0.64 -0.25 2.44 -0.00 -1.26 -4.47 117.00 114.49 1cx1 n LEU 19 Ca -0.05 0.58 0.03 0.00 -0.00 0.00 0.00 56.01 56.57 1cx1 n LEU 19 Cb 0.59 -0.40 -0.01 0.00 -0.00 0.00 0.00 43.42 43.60 1cx1 n LEU 19 CO 0.12 -0.22 -0.07 0.61 -0.00 0.00 0.00 177.39 177.83 1cx1 n GLY 20 N 1.07 -1.78 0.21 1.47 0.00 -1.26 -3.99 105.19 100.92 1cx1 n GLY 20 Ca 0.05 -1.45 0.09 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.24 0.00 -7.31 1.61 0.11 -1.96 -3.42 132.00 120.80 1cx1 h PRO 21 Ca -0.01 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.59 1cx1 h PRO 21 Cb 0.23 0.00 0.15 0.00 0.11 0.00 0.00 31.00 31.49 1cx1 h PRO 21 CO 0.01 0.00 0.29 -1.58 -0.21 0.00 0.00 178.00 176.50 1cx1 s TRP 22 N -3.55 2.36 0.06 0.65 0.52 -1.26 -4.90 118.94 112.83 1cx1 s TRP 22 Ca -0.02 1.54 0.04 0.00 0.02 0.00 0.00 56.10 57.68 1cx1 s TRP 22 Cb 0.05 -3.11 -0.04 0.00 -1.15 0.00 0.00 33.47 29.22 1cx1 s TRP 22 CO 0.16 -2.09 -0.03 -1.12 0.02 0.00 0.00 176.95 173.89 1cx1 s SER 23 N -3.27 4.87 -0.04 2.95 0.01 0.12 -4.92 113.70 113.43 1cx1 s SER 23 Ca 0.63 -0.18 0.01 0.00 1.31 0.00 0.00 55.95 57.71 1cx1 s SER 23 Cb -0.18 -1.14 0.02 0.00 0.21 0.00 0.00 66.02 64.93 1cx1 s SER 23 CO 0.57 0.21 -0.03 -0.76 0.41 0.00 0.00 173.24 173.63 1cx1 s LEU 24 N -2.03 1.28 -0.26 2.44 1.02 -1.26 0.05 118.68 119.91 1cx1 s LEU 24 Ca 0.23 -0.10 -0.37 0.00 0.02 0.00 0.00 54.13 53.90 1cx1 s LEU 24 Cb -0.11 -0.38 0.15 0.00 0.02 0.00 0.00 46.19 45.86 1cx1 s LEU 24 CO 0.15 -0.07 1.33 -0.72 0.02 0.00 0.00 176.35 177.06 1cx1 s TYR 25 N 0.95 -0.05 0.00 0.29 1.13 -1.15 -4.99 117.35 113.53 1cx1 s TYR 25 Ca -0.11 0.03 0.00 0.00 -1.41 0.00 0.00 57.07 55.58 1cx1 s TYR 25 Cb -0.14 0.50 0.00 0.00 -1.10 0.00 0.00 41.96 41.22 1cx1 s TYR 25 CO -0.00 -0.07 0.00 0.41 -2.51 0.00 0.00 175.55 173.37 1cx1 n GLY 26 N -0.01 2.54 0.00 5.49 0.00 -1.26 -2.69 105.19 109.26 1cx1 n GLY 26 Ca 0.04 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.30 2.61 5.66 -1.26 -3.78 114.28 114.21 1cx1 n THR 27 Ca 0.00 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.62 1cx1 n THR 27 Cb 0.00 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 68.72 1cx1 n THR 27 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1cx1 s SER 28 N -0.03 6.78 -0.74 1.09 1.04 -1.26 -4.92 113.70 115.67 1cx1 s SER 28 Ca 0.00 0.93 -0.29 0.00 0.48 0.00 0.00 55.95 57.07 1cx1 s SER 28 Cb 0.00 -2.31 -0.18 0.00 0.10 0.00 0.00 66.02 63.64 1cx1 s SER 28 CO 0.00 0.06 2.16 1.21 0.98 0.00 0.00 173.24 177.65 1cx1 n GLU 29 N 3.23 0.00 -1.26 4.02 2.13 -1.26 -4.46 120.64 123.04 1cx1 n GLU 29 Ca -0.08 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.37 1cx1 n GLU 29 Cb 0.52 -1.27 0.04 0.00 0.27 0.00 0.00 31.44 31.00 1cx1 n GLU 29 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 1cx1 n PRO 30 N 6.96 0.22 -3.69 5.31 -0.02 -1.26 -4.96 135.00 137.55 1cx1 n PRO 30 Ca 0.53 0.10 -0.24 0.00 -2.02 0.00 0.00 63.50 61.87 1cx1 n PRO 30 Cb 0.01 -1.49 -0.17 0.00 -0.02 0.00 0.00 33.50 31.83 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 -1.91 0.15 -0.98 -1.45 1.01 -1.15 -4.94 120.40 111.12 1cx1 s VAL 31 Ca 0.61 -0.01 -0.24 0.00 0.00 0.00 0.00 61.98 62.34 1cx1 s VAL 31 Cb -0.39 -0.54 0.04 0.00 0.00 0.00 0.00 36.38 35.49 1cx1 s VAL 31 CO 0.62 -0.00 1.50 0.72 0.00 0.00 0.00 175.10 177.94 1cx1 s PHE 32 N 2.05 2.41 0.00 5.22 -0.12 -1.26 -3.00 117.98 123.28 1cx1 s PHE 32 Ca 0.03 -0.58 0.00 0.00 -0.05 0.00 0.00 56.93 56.33 1cx1 s PHE 32 Cb -0.14 -4.61 0.00 0.00 -0.63 0.00 0.00 43.02 37.64 1cx1 s PHE 32 CO -0.06 -1.93 0.00 0.00 -0.05 0.00 0.00 175.22 173.18 1cx1 n ALA 33 N 9.60 0.00 -0.30 1.99 0.00 0.23 -4.52 120.51 127.51 1cx1 n ALA 33 Ca 0.31 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.50 1cx1 n ALA 33 Cb 0.50 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.89 1cx1 n ALA 33 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1cx1 n ASP 34 N 0.00 0.54 0.00 0.00 9.92 -1.26 -3.75 116.55 122.00 1cx1 n ASP 34 Ca 0.00 -2.24 0.00 0.00 -0.53 0.00 0.00 54.79 52.02 1cx1 n ASP 34 Cb 0.00 -0.49 0.00 0.00 -0.64 0.00 0.00 41.12 39.99 1cx1 n ASP 34 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1cx1 n GLY 35 N 4.53 0.00 3.31 0.44 0.00 -1.26 -4.91 105.19 107.31 1cx1 n GLY 35 Ca 0.26 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.50 1.32 -0.11 1.61 1.70 -1.25 -3.97 118.95 116.76 1cx1 s ARG 36 Ca 0.00 -1.17 0.01 0.00 -0.47 0.00 0.00 55.73 54.10 1cx1 s ARG 36 Cb 0.00 -1.62 -0.02 0.00 -0.57 0.00 0.00 34.95 32.75 1cx1 s ARG 36 CO 0.00 0.39 -0.14 1.41 -1.08 0.00 0.00 175.30 175.88 1cx1 s MET 37 N -1.74 3.16 0.15 3.89 -2.45 -0.85 0.75 119.30 122.21 1cx1 s MET 37 Ca 0.09 -0.70 0.09 0.00 -1.25 0.00 0.00 55.69 53.93 1cx1 s MET 37 Cb -0.10 -2.55 -0.04 0.00 1.25 0.00 0.00 34.83 33.39 1cx1 s MET 37 CO 0.04 0.31 -0.21 0.00 1.05 0.00 0.00 175.02 176.21 1cx1 s VAL 39 N -1.61 1.43 -0.39 0.00 -7.23 -0.96 -2.95 120.40 108.69 1cx1 s VAL 39 Ca 0.14 -0.75 -0.29 0.00 -1.81 0.00 0.00 61.98 59.28 1cx1 s VAL 39 Cb -0.08 -1.20 0.00 0.00 0.56 0.00 0.00 36.38 35.66 1cx1 s VAL 39 CO 0.07 0.41 1.52 -1.81 -0.31 0.00 0.00 175.10 174.97 1cx1 s ASP 40 N -0.22 6.22 -0.72 4.85 1.01 -1.26 -3.11 116.67 123.44 1cx1 s ASP 40 Ca 0.02 0.97 0.04 0.00 0.71 0.00 0.00 52.55 54.30 1cx1 s ASP 40 Cb -0.09 -2.54 0.22 0.00 1.01 0.00 0.00 42.92 41.52 1cx1 s ASP 40 CO 0.01 -1.50 0.70 0.18 0.21 0.00 0.00 175.17 174.76 1cx1 n LEU 41 N 9.20 3.70 0.00 1.23 7.99 0.15 -3.99 117.00 135.28 1cx1 n LEU 41 Ca 0.18 -5.31 0.00 0.00 -0.01 0.00 0.00 56.01 50.87 1cx1 n LEU 41 Cb 0.48 -0.79 0.00 0.00 -0.11 0.00 0.00 43.42 43.00 1cx1 n LEU 41 CO 0.70 1.87 0.00 -0.81 -1.51 0.00 0.00 177.39 177.63 1cx1 n PRO 42 N 1.46 1.37 -4.51 3.23 -0.04 -1.23 0.20 135.00 135.48 1cx1 n PRO 42 Ca 0.25 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.38 1cx1 n PRO 42 Cb 0.38 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.71 1cx1 n PRO 42 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1cx1 s GLY 43 N -0.79 1.67 0.00 0.55 0.00 -1.26 -4.04 107.32 103.45 1cx1 s GLY 43 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 43.88 1cx1 s GLY 43 CO 0.00 -0.11 0.00 0.61 0.00 0.00 0.00 173.10 173.60 1cx1 n GLY 44 N 3.50 0.00 3.40 0.20 0.00 -1.26 -4.91 105.19 106.13 1cx1 n GLY 44 Ca -0.18 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.40 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 2.98 0.00 1.61 -1.52 -1.26 -4.90 119.66 116.57 1cx1 s GLN 45 Ca 0.00 -1.28 0.00 0.00 -1.95 0.00 0.00 55.36 52.13 1cx1 s GLN 45 Cb 0.00 -4.10 0.00 0.00 -0.22 0.00 0.00 33.01 28.69 1cx1 s GLN 45 CO 0.00 -0.98 0.40 0.41 -0.25 0.00 0.00 175.29 174.87 1cx1 n GLY 46 N 5.19 0.05 3.65 3.09 0.00 -1.26 -4.63 105.19 111.28 1cx1 n GLY 46 Ca -0.12 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.05 -0.00 -0.04 1.61 6.03 -1.26 -5.07 114.94 115.16 1cx1 s ASN 47 Ca 0.00 0.00 -0.22 0.00 -1.03 0.00 0.00 52.86 51.61 1cx1 s ASN 47 Cb 0.00 0.00 -0.16 0.00 -3.03 0.00 0.00 41.25 38.06 1cx1 s ASN 47 CO 0.00 -0.00 0.95 1.55 -2.03 0.00 0.00 177.10 177.57 1cx1 h PRO 48 N 2.00 -0.23 -2.44 3.55 0.13 -1.84 -3.28 132.00 129.90 1cx1 h PRO 48 Ca -0.06 0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.07 1cx1 h PRO 48 Cb 1.18 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1cx1 h PRO 48 CO 0.21 0.19 0.19 -2.67 -0.23 0.00 0.00 178.00 175.69 1cx1 n TRP 49 N -4.95 0.00 -2.65 1.56 2.14 -1.26 -3.42 117.44 108.86 1cx1 n TRP 49 Ca -0.08 -0.18 -0.05 0.00 2.07 0.00 0.00 57.50 59.26 1cx1 n TRP 49 Cb 0.26 -0.43 0.04 0.00 -0.81 0.00 0.00 31.31 30.38 1cx1 n TRP 49 CO 0.00 0.00 0.00 -0.25 2.07 0.00 0.00 177.69 179.51 1cx1 n ASP 50 N 2.44 2.30 0.00 -0.67 9.92 -1.24 -5.00 116.55 124.30 1cx1 n ASP 50 Ca 0.03 -2.41 0.00 0.00 -0.53 0.00 0.00 54.79 51.88 1cx1 n ASP 50 Cb 0.10 -0.45 0.00 0.00 -0.64 0.00 0.00 41.12 40.14 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 -0.61 0.00 0.00 2.24 0.00 -1.22 -3.99 120.51 116.93 1cx1 n ALA 51 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1cx1 n ALA 51 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.29 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 0.00 2.29 3.65 0.00 0.00 -1.09 -2.88 105.19 107.16 1cx1 n GLY 52 Ca 0.00 -1.23 -0.33 0.00 0.00 0.00 0.00 46.02 44.45 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 3.41 0.47 0.99 0.05 -0.97 -2.96 118.68 119.68 1cx1 s LEU 53 Ca 0.00 0.00 0.04 0.00 0.05 0.00 0.00 54.13 54.22 1cx1 s LEU 53 Cb 0.00 -1.89 -0.04 0.00 -2.05 0.00 0.00 46.19 42.21 1cx1 s LEU 53 CO 0.00 0.32 0.01 -0.69 -0.55 0.00 0.00 176.35 175.43 1cx1 s VAL 54 N -0.98 1.52 0.00 1.48 1.01 0.11 -0.08 120.40 123.46 1cx1 s VAL 54 Ca 0.17 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 60.15 1cx1 s VAL 54 Cb -0.11 -2.52 0.00 0.00 0.00 0.00 0.00 36.38 33.75 1cx1 s VAL 54 CO 0.07 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.17 1cx1 n TYR 55 N -1.14 0.00 -2.46 5.22 9.36 -0.65 0.14 117.16 127.64 1cx1 n TYR 55 Ca -0.13 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.09 1cx1 n TYR 55 Cb 0.67 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.38 1cx1 n TYR 55 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1cx1 n ASN 56 N 0.00 0.00 -1.99 2.98 5.03 -1.26 -0.33 115.26 119.69 1cx1 n ASN 56 Ca 0.00 -0.48 -0.01 0.00 0.87 0.00 0.00 54.58 54.95 1cx1 n ASN 56 Cb 0.00 0.00 0.01 0.00 -1.02 0.00 0.00 39.78 38.77 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 -0.32 2.55 7.41 0.00 -0.93 -4.77 105.19 114.13 1cx1 n GLY 57 Ca 0.00 -0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1cx1 n GLY 57 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1cx1 n VAL 58 N -1.48 -0.36 -1.84 1.61 3.14 -1.23 -4.80 118.33 113.37 1cx1 n VAL 58 Ca -0.01 -2.33 -0.32 0.00 -2.96 0.00 0.00 64.34 58.73 1cx1 n VAL 58 Cb 0.51 0.03 0.02 0.00 -1.06 0.00 0.00 33.84 33.34 1cx1 n VAL 58 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1cx1 s PRO 59 N 0.16 3.26 -0.28 1.45 0.04 -1.26 -4.53 135.00 133.84 1cx1 s PRO 59 Ca 0.32 0.99 -0.00 0.00 0.04 0.00 0.00 61.00 62.35 1cx1 s PRO 59 Cb 0.14 -2.03 0.14 0.00 0.04 0.00 0.00 34.50 32.78 1cx1 s PRO 59 CO -0.16 -0.84 0.33 0.08 0.04 0.00 0.00 177.00 176.44 1cx1 s VAL 60 N -2.86 -0.48 -0.15 -0.36 1.01 -1.08 -4.98 120.40 111.51 1cx1 s VAL 60 Ca 0.59 -0.35 -0.29 0.00 0.00 0.00 0.00 61.98 61.93 1cx1 s VAL 60 Cb -0.14 -0.94 -0.02 0.00 0.00 0.00 0.00 36.38 35.28 1cx1 s VAL 60 CO 0.47 -0.35 1.34 -0.83 0.00 0.00 0.00 175.10 175.73 1cx1 s GLY 61 N 2.43 1.61 0.11 4.51 0.00 -1.26 -1.54 107.32 113.18 1cx1 s GLY 61 Ca 0.10 0.54 -0.32 0.00 0.00 0.00 0.00 44.72 45.03 1cx1 s GLY 61 CO -0.28 2.60 1.81 -2.21 0.00 0.00 0.00 173.10 175.02 1cx1 n GLU 62 N 6.73 2.65 0.00 2.90 2.13 -1.26 -3.04 120.64 130.74 1cx1 n GLU 62 Ca 0.15 0.96 0.00 0.00 0.66 0.00 0.00 57.16 58.93 1cx1 n GLU 62 Cb 0.44 -2.84 0.00 0.00 0.27 0.00 0.00 31.44 29.32 1cx1 n GLU 62 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1cx1 n GLY 63 N 4.14 3.87 4.00 8.31 0.00 0.49 -4.90 105.19 121.10 1cx1 n GLY 63 Ca 0.18 -0.80 -0.18 0.00 0.00 0.00 0.00 46.02 45.22 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 3.01 -0.13 1.61 2.02 -1.17 -4.75 118.70 119.29 1cx1 s GLU 64 Ca 0.00 -1.08 -0.04 0.00 0.02 0.00 0.00 54.97 53.87 1cx1 s GLU 64 Cb 0.00 -2.79 -0.03 0.00 0.10 0.00 0.00 34.13 31.40 1cx1 s GLU 64 CO 0.00 -0.06 0.01 -1.12 0.02 0.00 0.00 175.26 174.11 1cx1 s SER 65 N -4.24 5.25 0.61 -0.19 0.01 -1.26 -0.86 113.70 113.02 1cx1 s SER 65 Ca 0.49 0.06 0.06 0.00 1.31 0.00 0.00 55.95 57.86 1cx1 s SER 65 Cb -0.10 -1.72 0.11 0.00 0.21 0.00 0.00 66.02 64.52 1cx1 s SER 65 CO 0.32 0.26 0.82 -1.22 0.41 0.00 0.00 173.24 173.83 1cx1 n TYR 66 N 2.92 -2.57 -3.69 2.43 4.02 -0.99 -4.76 117.16 114.52 1cx1 n TYR 66 Ca -0.18 -1.86 -0.13 0.00 -0.01 0.00 0.00 57.90 55.72 1cx1 n TYR 66 Cb 0.53 -0.58 -0.09 0.00 -0.02 0.00 0.00 39.34 39.18 1cx1 n TYR 66 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1cx1 s VAL 67 N -2.56 -0.00 -0.19 -0.72 1.01 -0.62 -2.73 120.40 114.59 1cx1 s VAL 67 Ca 0.59 0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.59 1cx1 s VAL 67 Cb -0.04 -0.74 0.03 0.00 0.00 0.00 0.00 36.38 35.63 1cx1 s VAL 67 CO 0.38 0.00 -0.17 -0.22 0.00 0.00 0.00 175.10 175.09 1cx1 s LEU 68 N 0.35 2.27 -0.85 3.92 2.96 -1.14 -3.10 118.68 123.09 1cx1 s LEU 68 Ca -0.01 -0.75 -0.04 0.00 -0.22 0.00 0.00 54.13 53.11 1cx1 s LEU 68 Cb -0.04 -1.43 0.21 0.00 0.50 0.00 0.00 46.19 45.43 1cx1 s LEU 68 CO -0.00 -0.04 0.74 -0.94 -1.32 0.00 0.00 176.35 174.78 1cx1 s SER 69 N 1.30 6.03 0.05 3.68 1.04 -1.12 -2.92 113.70 121.75 1cx1 s SER 69 Ca 0.03 -3.44 -0.12 0.00 0.48 0.00 0.00 55.95 52.90 1cx1 s SER 69 Cb -0.14 -1.95 -0.06 0.00 0.10 0.00 0.00 66.02 63.97 1cx1 s SER 69 CO -0.11 -0.26 0.41 0.72 0.98 0.00 0.00 173.24 174.97 1cx1 s PHE 70 N -0.94 3.64 -0.08 5.02 -0.71 -1.12 -3.05 117.98 120.73 1cx1 s PHE 70 Ca 0.25 0.87 -0.21 0.00 -1.04 0.00 0.00 56.93 56.81 1cx1 s PHE 70 Cb -0.11 -2.21 -0.04 0.00 -1.21 0.00 0.00 43.02 39.45 1cx1 s PHE 70 CO -0.10 0.56 0.58 0.95 -1.34 0.00 0.00 175.22 175.88 1cx1 s THR 71 N -1.28 5.10 -0.29 -4.49 -4.23 -0.84 -1.89 115.64 107.71 1cx1 s THR 71 Ca 0.30 1.19 -0.21 0.00 -1.18 0.00 0.00 61.69 61.79 1cx1 s THR 71 Cb -0.15 -3.92 0.14 0.00 1.34 0.00 0.00 72.50 69.91 1cx1 s THR 71 CO 0.16 0.31 1.06 0.00 -0.54 0.00 0.00 174.62 175.61 1cx1 s ALA 72 N 0.60 -2.17 -0.16 3.99 0.00 -1.18 -3.64 121.76 119.21 1cx1 s ALA 72 Ca 0.31 2.00 0.02 0.00 0.00 0.00 0.00 51.96 54.29 1cx1 s ALA 72 Cb -0.17 -1.62 0.01 0.00 0.00 0.00 0.00 23.12 21.35 1cx1 s ALA 72 CO 0.14 -0.27 -0.21 -1.54 0.00 0.00 0.00 175.76 173.88 1cx1 s SER 73 N 0.73 3.14 -0.14 0.00 1.04 -1.06 -4.25 113.70 113.16 1cx1 s SER 73 Ca -0.02 -0.62 -0.24 0.00 0.48 0.00 0.00 55.95 55.55 1cx1 s SER 73 Cb -0.04 -1.47 -0.02 0.00 0.10 0.00 0.00 66.02 64.59 1cx1 s SER 73 CO -0.11 0.05 0.77 0.00 0.98 0.00 0.00 173.24 174.92 1cx1 s ALA 74 N 1.02 3.45 -0.13 5.32 0.00 -0.40 -3.07 121.76 127.94 1cx1 s ALA 74 Ca -0.02 0.04 -0.04 0.00 0.00 0.00 0.00 51.96 51.95 1cx1 s ALA 74 Cb -0.14 -3.12 0.05 0.00 0.00 0.00 0.00 23.12 19.91 1cx1 s ALA 74 CO -0.06 -0.46 0.07 0.95 0.00 0.00 0.00 175.76 176.25 1cx1 s THR 75 N 1.67 0.04 0.00 0.00 -4.23 -1.15 -2.88 115.64 109.09 1cx1 s THR 75 Ca 0.37 -0.03 0.00 0.00 -1.18 0.00 0.00 61.69 60.85 1cx1 s THR 75 Cb -0.17 -0.52 0.00 0.00 1.34 0.00 0.00 72.50 73.15 1cx1 s THR 75 CO 0.14 -0.09 0.00 -2.65 -0.54 0.00 0.00 174.62 171.48 1cx1 n PRO 76 N 5.24 3.05 -3.88 3.99 -0.02 -1.26 -1.86 135.00 140.26 1cx1 n PRO 76 Ca -0.06 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.12 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 -1.77 6.38 0.00 2.55 1.01 -1.26 -4.56 116.67 119.01 1cx1 s ASP 77 Ca 0.00 0.31 0.00 0.00 0.71 0.00 0.00 52.55 53.57 1cx1 s ASP 77 Cb 0.00 -1.97 0.00 0.00 1.01 0.00 0.00 42.92 41.96 1cx1 s ASP 77 CO 0.00 0.12 0.00 0.23 0.21 0.00 0.00 175.17 175.73 1cx1 n MET 78 N 0.07 0.00 -2.27 8.23 2.81 -1.12 -5.05 117.12 119.79 1cx1 n MET 78 Ca -0.05 0.00 -0.26 0.00 -1.81 0.00 0.00 57.70 55.58 1cx1 n MET 78 Cb 0.52 0.00 0.06 0.00 -0.71 0.00 0.00 33.22 33.09 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 2.37 0.24 0.03 0.04 -1.26 -2.86 135.00 131.55 1cx1 s PRO 79 Ca 0.00 -0.24 0.01 0.00 0.04 0.00 0.00 61.00 60.81 1cx1 s PRO 79 Cb 0.00 -2.21 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 1cx1 s PRO 79 CO 0.00 -1.10 0.12 0.14 0.04 0.00 0.00 177.00 176.21 1cx1 s VAL 80 N -3.16 0.27 -0.33 -0.36 -7.23 -0.35 -4.92 120.40 104.32 1cx1 s VAL 80 Ca 0.59 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.76 1cx1 s VAL 80 Cb -0.11 -2.56 0.08 0.00 0.56 0.00 0.00 36.38 34.35 1cx1 s VAL 80 CO 0.44 0.00 0.04 -0.60 -0.31 0.00 0.00 175.10 174.67 1cx1 s ARG 81 N -4.04 2.09 0.25 4.82 6.06 -1.17 -3.11 118.95 123.85 1cx1 s ARG 81 Ca 0.38 -1.54 0.09 0.00 -2.50 0.00 0.00 55.73 52.16 1cx1 s ARG 81 Cb 0.07 -3.23 -0.04 0.00 0.06 0.00 0.00 34.95 31.81 1cx1 s ARG 81 CO 0.14 -0.78 0.05 0.14 -2.50 0.00 0.00 175.30 172.34 1cx1 s VAL 82 N 1.12 3.75 -0.05 7.11 -7.23 -1.03 -3.11 120.40 120.97 1cx1 s VAL 82 Ca 0.01 -1.73 -0.27 0.00 -1.81 0.00 0.00 61.98 58.18 1cx1 s VAL 82 Cb -0.20 -3.00 0.06 0.00 0.56 0.00 0.00 36.38 33.80 1cx1 s VAL 82 CO -0.04 -0.34 0.60 -1.48 -0.31 0.00 0.00 175.10 173.53 1cx1 s LEU 83 N -3.64 -0.33 0.05 1.32 2.34 -1.05 -3.08 118.68 114.29 1cx1 s LEU 83 Ca 0.31 0.60 -0.12 0.00 0.06 0.00 0.00 54.13 54.98 1cx1 s LEU 83 Cb -0.07 2.26 0.02 0.00 -0.56 0.00 0.00 46.19 47.83 1cx1 s LEU 83 CO 0.21 -0.56 0.27 -0.69 -1.06 0.00 0.00 176.35 174.52 1cx1 s VAL 84 N -1.17 0.09 0.00 1.48 1.01 -1.02 -2.28 120.40 118.52 1cx1 s VAL 84 Ca -0.11 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.11 1cx1 s VAL 84 Cb -0.01 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.40 1cx1 s VAL 84 CO 0.08 -0.42 0.00 0.61 0.00 0.00 0.00 175.10 175.37 1cx1 n GLY 85 N 0.52 0.34 3.62 4.51 0.00 -0.69 -2.70 105.19 110.79 1cx1 n GLY 85 Ca -0.18 -0.92 -0.23 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.28 -1.16 1.61 0.00 -1.25 0.27 120.64 119.83 1cx1 n GLU 86 Ca 0.00 -2.42 -0.03 0.00 0.00 0.00 0.00 57.16 54.71 1cx1 n GLU 86 Cb 0.00 -0.74 -0.01 0.00 0.00 0.00 0.00 31.44 30.69 1cx1 n GLU 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1cx1 n GLY 87 N -2.33 0.22 0.00 -1.84 0.00 -1.26 -4.58 105.19 95.39 1cx1 n GLY 87 Ca 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.24 1.64 0.00 -0.02 0.00 -1.26 -5.07 105.19 100.24 1cx1 n GLY 88 Ca -0.14 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.44 0.78 -0.02 0.00 -1.23 -4.82 105.19 99.47 1cx1 n GLY 89 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.00 2.90 -1.89 4.61 0.00 -1.26 -5.04 120.51 116.84 1cx1 n ALA 90 Ca 0.00 -0.44 -0.23 0.00 0.00 0.00 0.00 53.44 52.78 1cx1 n ALA 90 Cb 0.00 -0.20 -0.08 0.00 0.00 0.00 0.00 19.45 19.17 1cx1 n ALA 90 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1cx1 s TYR 91 N 0.00 1.65 0.30 0.00 1.51 -1.26 -4.89 117.35 114.65 1cx1 s TYR 91 Ca 0.01 1.20 -0.09 0.00 -1.01 0.00 0.00 57.07 57.18 1cx1 s TYR 91 Cb 0.01 -3.74 -0.07 0.00 -0.11 0.00 0.00 41.96 38.05 1cx1 s TYR 91 CO -0.00 -1.03 -0.13 2.89 -1.11 0.00 0.00 175.55 176.17 1cx1 n ARG 92 N 8.28 0.00 -3.82 -0.62 1.85 -1.26 -3.80 116.66 117.29 1cx1 n ARG 92 Ca 0.43 0.00 -0.21 0.00 -1.00 0.00 0.00 57.85 57.08 1cx1 n ARG 92 Cb 0.47 -0.49 -0.02 0.00 -1.05 0.00 0.00 32.46 31.37 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 -0.99 5.01 -0.00 8.89 -1.32 -1.26 -4.50 115.64 121.47 1cx1 s THR 93 Ca 0.26 -0.94 0.00 0.00 -1.21 0.00 0.00 61.69 59.80 1cx1 s THR 93 Cb -0.21 -3.77 -0.00 0.00 -1.51 0.00 0.00 72.50 67.00 1cx1 s THR 93 CO 0.34 -0.32 0.00 0.00 -2.21 0.00 0.00 174.62 172.44 1cx1 n ALA 94 N -1.49 2.01 -0.64 11.08 0.00 -1.25 -4.63 120.51 125.60 1cx1 n ALA 94 Ca -0.07 -0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.21 1cx1 n ALA 94 Cb 0.57 -0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.08 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 -1.21 1.68 -1.86 0.00 -0.00 -1.10 -4.76 117.46 110.21 1cx1 n PHE 95 Ca 0.00 -1.73 -0.42 0.00 -0.00 0.00 0.00 57.45 55.30 1cx1 n PHE 95 Cb 0.00 -0.85 0.00 0.00 -0.00 0.00 0.00 39.48 38.63 1cx1 n PHE 95 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.76 174.85 1cx1 n GLU 96 N -0.01 2.94 -3.47 -4.13 2.13 -1.26 -2.43 120.64 114.41 1cx1 n GLU 96 Ca 0.33 -2.73 -0.42 0.00 0.66 0.00 0.00 57.16 54.99 1cx1 n GLU 96 Cb 0.80 -3.28 -0.10 0.00 0.27 0.00 0.00 31.44 29.12 1cx1 n GLU 96 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 1cx1 s GLN 97 N 3.10 3.07 -0.07 5.31 0.74 -1.18 -4.91 119.66 125.73 1cx1 s GLN 97 Ca 0.47 -0.94 0.18 0.00 0.05 0.00 0.00 55.36 55.12 1cx1 s GLN 97 Cb 0.13 -3.95 0.62 0.00 1.10 0.00 0.00 33.01 30.91 1cx1 s GLN 97 CO -0.07 -0.70 1.53 0.41 -0.55 0.00 0.00 175.29 175.92 1cx1 n GLY 98 N 5.15 2.81 2.57 2.59 0.00 -1.26 -2.45 105.19 114.60 1cx1 n GLY 98 Ca -0.11 -0.77 -0.28 0.00 0.00 0.00 0.00 46.02 44.86 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 1.01 4.11 -4.20 1.61 7.64 -1.26 -4.57 113.62 117.95 1cx1 n SER 99 Ca 0.23 -3.51 -0.41 0.00 1.01 0.00 0.00 58.87 56.19 1cx1 n SER 99 Cb 0.75 -0.68 -0.09 0.00 -1.01 0.00 0.00 64.21 63.19 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 -2.76 3.39 0.15 -0.43 0.00 -1.18 -4.95 121.76 115.97 1cx1 s ALA 100 Ca 0.42 -2.56 -0.30 0.00 0.00 0.00 0.00 51.96 49.52 1cx1 s ALA 100 Cb 0.18 -2.80 -0.07 0.00 0.00 0.00 0.00 23.12 20.43 1cx1 s ALA 100 CO -0.04 -1.91 0.96 -1.25 0.00 0.00 0.00 175.76 173.53 1cx1 s PRO 101 N 1.31 4.73 -0.05 0.00 0.04 -1.26 -1.21 135.00 138.57 1cx1 s PRO 101 Ca 0.06 1.47 -0.02 0.00 0.04 0.00 0.00 61.00 62.56 1cx1 s PRO 101 Cb -0.26 -3.35 0.03 0.00 0.04 0.00 0.00 34.50 30.97 1cx1 s PRO 101 CO -0.01 0.28 0.10 -0.51 0.04 0.00 0.00 177.00 176.90 1cx1 s LEU 102 N -0.31 0.95 0.00 -3.56 1.43 -1.14 -4.99 118.68 111.07 1cx1 s LEU 102 Ca 0.46 0.19 0.00 0.00 -1.03 0.00 0.00 54.13 53.75 1cx1 s LEU 102 Cb -0.24 0.20 0.00 0.00 0.03 0.00 0.00 46.19 46.18 1cx1 s LEU 102 CO 0.31 -0.13 0.00 1.07 0.23 0.00 0.00 176.35 177.83 1cx1 n THR 103 N 4.07 0.00 -0.44 5.49 5.66 -1.26 -2.80 114.28 125.00 1cx1 n THR 103 Ca -0.25 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.60 1cx1 n THR 103 Cb 0.52 -1.38 0.07 0.00 -1.55 0.00 0.00 70.33 67.99 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 3.64 3.26 1.09 0.00 -1.14 -1.28 105.19 115.77 1cx1 n GLY 104 Ca 0.00 -0.80 -0.30 0.00 0.00 0.00 0.00 46.02 44.93 1cx1 n GLY 104 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1cx1 s GLU 105 N -1.79 2.08 -0.16 1.61 -1.05 -1.26 -4.93 118.70 113.21 1cx1 s GLU 105 Ca 0.31 -0.85 -0.29 0.00 -0.15 0.00 0.00 54.97 53.98 1cx1 s GLU 105 Cb 0.25 -1.92 -0.02 0.00 -0.44 0.00 0.00 34.13 32.00 1cx1 s GLU 105 CO 0.03 0.46 1.26 -1.25 0.95 0.00 0.00 175.26 176.71 1cx1 s PRO 106 N -0.42 4.24 -0.09 -4.83 0.04 -1.26 -4.58 135.00 128.10 1cx1 s PRO 106 Ca 0.05 1.66 -0.32 0.00 0.04 0.00 0.00 61.00 62.44 1cx1 s PRO 106 Cb -0.11 -3.75 0.12 0.00 0.04 0.00 0.00 34.50 30.81 1cx1 s PRO 106 CO 0.00 -0.68 1.04 0.00 0.04 0.00 0.00 177.00 177.41 1cx1 s ALA 107 N 3.38 -1.94 0.21 8.56 0.00 -1.26 -5.03 121.76 125.67 1cx1 s ALA 107 Ca 0.55 1.26 -0.10 0.00 0.00 0.00 0.00 51.96 53.66 1cx1 s ALA 107 Cb -0.22 0.18 -0.07 0.00 0.00 0.00 0.00 23.12 23.01 1cx1 s ALA 107 CO 0.15 -0.66 0.54 0.95 0.00 0.00 0.00 175.76 176.74 1cx1 s THR 108 N -2.79 4.93 -0.08 0.00 -4.23 -1.26 -3.08 115.64 109.14 1cx1 s THR 108 Ca 0.07 0.52 0.02 0.00 -1.18 0.00 0.00 61.69 61.13 1cx1 s THR 108 Cb -0.01 -3.64 -0.02 0.00 1.34 0.00 0.00 72.50 70.17 1cx1 s THR 108 CO -0.07 -0.01 -0.14 -0.13 -0.54 0.00 0.00 174.62 173.73 1cx1 s ARG 109 N -2.65 2.80 -0.32 3.99 3.00 -0.79 -4.89 118.95 120.08 1cx1 s ARG 109 Ca 0.45 -0.70 -0.02 0.00 0.00 0.00 0.00 55.73 55.46 1cx1 s ARG 109 Cb -0.12 -2.46 0.06 0.00 0.00 0.00 0.00 34.95 32.44 1cx1 s ARG 109 CO 0.21 0.48 0.04 -1.21 0.00 0.00 0.00 175.30 174.82 1cx1 s GLU 110 N -0.35 2.34 -0.27 3.54 8.01 -1.25 -2.80 118.70 127.92 1cx1 s GLU 110 Ca 0.03 -1.38 -0.06 0.00 0.01 0.00 0.00 54.97 53.58 1cx1 s GLU 110 Cb -0.13 -3.26 0.01 0.00 -4.31 0.00 0.00 34.13 26.44 1cx1 s GLU 110 CO 0.02 -0.71 0.04 0.71 0.01 0.00 0.00 175.26 175.33 1cx1 s TYR 111 N 1.23 3.11 -0.06 1.61 2.02 -1.15 -4.88 117.35 119.22 1cx1 s TYR 111 Ca -0.02 -1.02 -0.04 0.00 -0.37 0.00 0.00 57.07 55.61 1cx1 s TYR 111 Cb -0.20 -2.20 -0.04 0.00 -0.40 0.00 0.00 41.96 39.12 1cx1 s TYR 111 CO -0.02 -0.58 0.12 0.00 -1.57 0.00 0.00 175.55 173.51 1cx1 s ALA 112 N 1.48 3.77 0.21 3.71 0.00 -1.26 -2.88 121.76 126.79 1cx1 s ALA 112 Ca 0.03 -0.74 0.04 0.00 0.00 0.00 0.00 51.96 51.29 1cx1 s ALA 112 Cb -0.17 -1.81 -0.05 0.00 0.00 0.00 0.00 23.12 21.09 1cx1 s ALA 112 CO 0.01 0.66 -0.04 -0.59 0.00 0.00 0.00 175.76 175.80 1cx1 s PHE 113 N -1.12 1.50 -0.44 0.00 -0.71 -1.11 -4.95 117.98 111.16 1cx1 s PHE 113 Ca 0.19 -0.86 -0.18 0.00 -1.04 0.00 0.00 56.93 55.04 1cx1 s PHE 113 Cb -0.12 -0.84 0.03 0.00 -1.21 0.00 0.00 43.02 40.88 1cx1 s PHE 113 CO 0.09 0.02 0.50 0.95 -1.34 0.00 0.00 175.22 175.44 1cx1 s THR 114 N -3.37 5.01 -0.41 -4.49 -4.23 -1.26 -2.34 115.64 104.55 1cx1 s THR 114 Ca 0.25 -0.29 -0.29 0.00 -1.18 0.00 0.00 61.69 60.18 1cx1 s THR 114 Cb 0.05 -4.11 -0.09 0.00 1.34 0.00 0.00 72.50 69.69 1cx1 s THR 114 CO 0.07 -0.51 2.33 -1.20 -0.54 0.00 0.00 174.62 174.76 1cx1 n SER 115 N 5.80 2.42 -0.00 3.99 7.64 -0.04 -4.72 113.62 128.70 1cx1 n SER 115 Ca -0.06 -0.01 0.06 0.00 1.01 0.00 0.00 58.87 59.87 1cx1 n SER 115 Cb 0.47 -1.45 -0.07 0.00 -1.01 0.00 0.00 64.21 62.16 1cx1 n SER 115 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1cx1 n ASN 116 N 12.71 0.61 -3.81 6.43 2.04 -1.26 0.19 115.26 132.16 1cx1 n ASN 116 Ca 0.38 -0.76 -0.19 0.00 -0.44 0.00 0.00 54.58 53.57 1cx1 n ASN 116 Cb 0.40 1.02 -0.17 0.00 -2.53 0.00 0.00 39.78 38.50 1cx1 n ASN 116 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 1cx1 s LEU 117 N -2.60 0.98 -0.03 -4.53 2.01 -1.26 -4.86 118.68 108.38 1cx1 s LEU 117 Ca 0.04 -0.06 -0.30 0.00 0.01 0.00 0.00 54.13 53.83 1cx1 s LEU 117 Cb 0.09 -0.32 -0.08 0.00 0.01 0.00 0.00 46.19 45.89 1cx1 s LEU 117 CO 0.49 -0.12 2.01 0.42 1.01 0.00 0.00 176.35 180.15 1cx1 s THR 118 N 1.33 3.05 -0.61 5.49 -4.23 -1.26 -4.17 115.64 115.23 1cx1 s THR 118 Ca -0.05 0.06 0.06 0.00 -1.18 0.00 0.00 61.69 60.58 1cx1 s THR 118 Cb -0.13 -3.04 0.28 0.00 1.34 0.00 0.00 72.50 70.94 1cx1 s THR 118 CO -0.02 -0.01 0.81 0.49 -0.54 0.00 0.00 174.62 175.34 1cx1 n PHE 119 N 8.46 3.65 -1.19 3.99 3.72 -0.59 -4.94 117.46 130.56 1cx1 n PHE 119 Ca 0.22 -4.09 -0.29 0.00 -0.05 0.00 0.00 57.45 53.24 1cx1 n PHE 119 Cb 0.42 -0.53 0.15 0.00 -0.94 0.00 0.00 39.48 38.58 1cx1 n PHE 119 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1cx1 s PRO 120 N -2.77 0.97 0.14 -1.08 0.04 -1.26 -2.63 135.00 128.41 1cx1 s PRO 120 Ca 0.43 0.71 0.27 0.00 0.04 0.00 0.00 61.00 62.45 1cx1 s PRO 120 Cb 0.19 -1.78 0.95 0.00 0.04 0.00 0.00 34.50 33.90 1cx1 s PRO 120 CO -0.05 -2.41 1.83 -0.35 0.04 0.00 0.00 177.00 176.05 1cx1 n PRO 121 N -3.99 0.18 -0.00 0.56 -0.04 -1.25 -3.47 135.00 126.99 1cx1 n PRO 121 Ca 0.06 0.15 0.05 0.00 -0.04 0.00 0.00 63.50 63.72 1cx1 n PRO 121 Cb 0.56 -1.71 -0.07 0.00 -0.04 0.00 0.00 33.50 32.24 1cx1 n PRO 121 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1cx1 n ASP 122 N -2.01 1.03 0.00 3.54 9.92 -1.25 -0.96 116.55 126.81 1cx1 n ASP 122 Ca 0.06 -0.55 0.00 0.00 -0.53 0.00 0.00 54.79 53.77 1cx1 n ASP 122 Cb 0.40 1.14 0.00 0.00 -0.64 0.00 0.00 41.12 42.02 1cx1 n ASP 122 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1cx1 n GLY 123 N 1.42 -2.63 0.00 0.44 0.00 -1.23 -4.51 105.19 98.68 1cx1 n GLY 123 Ca 0.01 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.04 0.14 -3.65 1.61 9.92 -1.26 -5.05 116.55 116.22 1cx1 n ASP 124 Ca 0.00 -0.46 -0.01 0.00 -0.53 0.00 0.00 54.79 53.79 1cx1 n ASP 124 Cb 0.00 0.37 -0.04 0.00 -0.64 0.00 0.00 41.12 40.81 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 -0.37 -2.14 -1.11 2.24 0.00 -1.26 -3.46 121.76 115.66 1cx1 s ALA 125 Ca 0.00 1.93 0.00 0.00 0.00 0.00 0.00 51.96 53.89 1cx1 s ALA 125 Cb 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 23.12 21.50 1cx1 s ALA 125 CO 0.00 -0.23 0.79 -0.35 0.00 0.00 0.00 175.76 175.97 1cx1 n PRO 126 N 0.50 0.00 0.00 0.00 -0.04 -0.14 -3.80 135.00 131.52 1cx1 n PRO 126 Ca 0.01 0.31 0.00 0.00 -0.04 0.00 0.00 63.50 63.78 1cx1 n PRO 126 Cb 0.59 -1.55 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 1cx1 n PRO 126 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1cx1 n GLY 127 N -1.29 2.51 3.39 0.55 0.00 -1.26 -2.20 105.19 106.90 1cx1 n GLY 127 Ca 0.00 -1.92 -0.13 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.76 0.59 -0.41 1.61 2.00 0.14 -4.31 119.66 117.52 1cx1 s GLN 128 Ca 0.00 0.67 0.06 0.00 -2.00 0.00 0.00 55.36 54.09 1cx1 s GLN 128 Cb 0.00 0.29 0.17 0.00 0.80 0.00 0.00 33.01 34.27 1cx1 s GLN 128 CO 0.00 -0.07 0.52 0.08 -0.50 0.00 0.00 175.29 175.32 1cx1 s VAL 129 N 0.22 -0.63 -0.24 1.34 1.01 0.56 -1.71 120.40 120.95 1cx1 s VAL 129 Ca -0.00 -0.75 -0.13 0.00 0.00 0.00 0.00 61.98 61.09 1cx1 s VAL 129 Cb -0.03 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 35.94 1cx1 s VAL 129 CO 0.01 -0.33 0.28 0.00 0.00 0.00 0.00 175.10 175.06 1cx1 s ALA 130 N 1.39 3.57 -0.95 5.51 0.00 -0.97 -1.63 121.76 128.69 1cx1 s ALA 130 Ca 0.20 -0.79 -0.05 0.00 0.00 0.00 0.00 51.96 51.32 1cx1 s ALA 130 Cb -0.08 -2.52 0.24 0.00 0.00 0.00 0.00 23.12 20.76 1cx1 s ALA 130 CO -0.06 -0.37 0.87 -0.06 0.00 0.00 0.00 175.76 176.15 1cx1 s PHE 131 N 1.43 3.99 -0.14 0.00 0.40 0.89 -2.52 117.98 122.02 1cx1 s PHE 131 Ca 0.12 -2.84 -0.09 0.00 -0.60 0.00 0.00 56.93 53.53 1cx1 s PHE 131 Cb -0.15 -3.47 -0.04 0.00 0.51 0.00 0.00 43.02 39.87 1cx1 s PHE 131 CO 0.07 -0.83 0.15 -1.01 0.70 0.00 0.00 175.22 174.31 1cx1 s HIS 132 N -1.16 3.54 0.00 0.36 3.76 -1.18 -2.28 115.29 118.33 1cx1 s HIS 132 Ca 0.27 0.48 0.00 0.00 -0.15 0.00 0.00 55.06 55.66 1cx1 s HIS 132 Cb -0.09 -2.04 0.00 0.00 1.11 0.00 0.00 32.58 31.56 1cx1 s HIS 132 CO -0.10 0.57 0.10 1.28 -0.85 0.00 0.00 174.74 175.74 1cx1 n LEU 133 N 2.55 0.20 -4.65 0.89 4.32 -1.14 -3.05 117.00 116.13 1cx1 n LEU 133 Ca -0.18 -0.33 -0.60 0.00 -0.02 0.00 0.00 56.01 54.88 1cx1 n LEU 133 Cb 0.54 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.26 1cx1 n LEU 133 CO 0.34 0.05 0.99 0.61 -1.22 0.00 0.00 177.39 178.16 1cx1 n GLY 134 N 0.24 0.27 3.63 -0.72 0.00 -1.25 -4.59 105.19 102.77 1cx1 n GLY 134 Ca 0.00 0.87 -0.04 0.00 0.00 0.00 0.00 46.02 46.85 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 1.90 0.55 0.30 1.61 1.02 -1.26 -4.64 119.74 119.22 1cx1 s LYS 135 Ca 0.96 1.02 0.04 0.00 0.02 0.00 0.00 55.97 58.01 1cx1 s LYS 135 Cb -1.25 0.22 0.20 0.00 -0.52 0.00 0.00 37.83 36.49 1cx1 s LYS 135 CO 0.66 -0.13 0.89 0.00 -0.92 0.00 0.00 175.35 175.85 1cx1 n ALA 136 N 4.28 0.19 0.05 5.17 0.00 -1.26 0.45 120.51 129.39 1cx1 n ALA 136 Ca -0.18 0.03 0.01 0.00 0.00 0.00 0.00 53.44 53.31 1cx1 n ALA 136 Cb 0.57 -0.24 0.02 0.00 0.00 0.00 0.00 19.45 19.80 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 -1.24 0.06 0.00 0.00 0.00 -1.26 -4.24 105.19 98.50 1cx1 n GLY 137 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.01 0.00 -2.00 4.61 0.00 1.58 -4.96 120.51 119.73 1cx1 n ALA 138 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1cx1 n ALA 138 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.58 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 -0.84 0.00 -4.89 0.00 0.18 0.54 -4.75 117.16 107.41 1cx1 n TYR 139 Ca 0.00 0.00 -0.25 0.00 1.88 0.00 0.00 57.90 59.53 1cx1 n TYR 139 Cb 0.00 0.00 -0.15 0.00 -0.38 0.00 0.00 39.34 38.81 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 2.39 1.50 -0.27 -3.48 0.41 -0.78 0.33 118.70 118.80 1cx1 s GLU 140 Ca 0.00 -0.66 0.03 0.00 -0.41 0.00 0.00 54.97 53.93 1cx1 s GLU 140 Cb 0.00 -1.45 0.07 0.00 -1.78 0.00 0.00 34.13 30.97 1cx1 s GLU 140 CO 0.00 0.39 -0.06 0.12 -0.49 0.00 0.00 175.26 175.22 1cx1 s PHE 141 N -0.41 3.17 -0.75 1.61 5.36 -1.18 -2.93 117.98 122.85 1cx1 s PHE 141 Ca 0.07 -2.35 -0.11 0.00 -0.96 0.00 0.00 56.93 53.57 1cx1 s PHE 141 Cb -0.07 -2.07 0.20 0.00 -0.34 0.00 0.00 43.02 40.73 1cx1 s PHE 141 CO -0.01 -0.88 0.66 0.00 -1.46 0.00 0.00 175.22 173.53 1cx1 s ILE 143 N 0.26 4.15 0.00 0.00 2.07 -0.60 -2.57 121.20 124.51 1cx1 s ILE 143 Ca 0.16 -0.43 0.00 0.00 -1.41 0.00 0.00 60.65 58.98 1cx1 s ILE 143 Cb -0.15 -2.78 0.00 0.00 0.13 0.00 0.00 42.46 39.66 1cx1 s ILE 143 CO -0.06 0.51 0.04 -1.54 -1.91 0.00 0.00 174.94 171.98 1cx1 n SER 144 N 1.86 0.07 -3.79 4.50 3.41 -1.24 -2.01 113.62 116.41 1cx1 n SER 144 Ca -0.17 -0.96 -0.09 0.00 -0.26 0.00 0.00 58.87 57.39 1cx1 n SER 144 Cb 0.53 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.42 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 -0.00 0.98 -0.30 4.33 -0.21 -1.26 -1.59 119.66 121.61 1cx1 s GLN 145 Ca 0.00 -0.90 -0.04 0.00 0.02 0.00 0.00 55.36 54.44 1cx1 s GLN 145 Cb 0.00 0.40 0.19 0.00 1.00 0.00 0.00 33.01 34.60 1cx1 s GLN 145 CO 0.00 -0.35 0.80 0.54 -2.12 0.00 0.00 175.29 174.16 1cx1 s VAL 146 N -3.86 -0.67 -0.01 1.09 0.11 -1.26 -1.99 120.40 113.81 1cx1 s VAL 146 Ca 0.06 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.13 1cx1 s VAL 146 Cb 0.03 -0.79 -0.04 0.00 -1.53 0.00 0.00 36.38 34.06 1cx1 s VAL 146 CO -0.09 0.00 -0.01 -0.94 -3.33 0.00 0.00 175.10 170.72 1cx1 s SER 147 N 2.89 5.04 -0.16 3.54 1.04 -1.17 -4.42 113.70 120.47 1cx1 s SER 147 Ca 0.15 -0.02 -0.02 0.00 0.48 0.00 0.00 55.95 56.54 1cx1 s SER 147 Cb -0.09 -1.30 0.05 0.00 0.10 0.00 0.00 66.02 64.78 1cx1 s SER 147 CO -0.21 0.29 0.02 -0.22 0.98 0.00 0.00 173.24 174.09 1cx1 s LEU 148 N -1.47 1.06 0.00 2.42 2.96 -1.26 -2.81 118.68 119.57 1cx1 s LEU 148 Ca 0.19 -0.59 0.00 0.00 -0.22 0.00 0.00 54.13 53.50 1cx1 s LEU 148 Cb -0.11 -0.59 0.00 0.00 0.50 0.00 0.00 46.19 45.99 1cx1 s LEU 148 CO 0.09 -0.26 0.00 1.07 -1.32 0.00 0.00 176.35 175.93 1cx1 n THR 149 N 5.06 0.00 0.00 3.68 5.66 -1.18 -2.91 114.28 124.59 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 0.48 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.26 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 0.00 0.00 -1.79 1.09 5.66 -1.26 -1.59 114.28 116.40 1cx1 n THR 150 Ca 0.00 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.63 1cx1 n THR 150 Cb 0.00 -0.23 0.05 0.00 -1.55 0.00 0.00 70.33 68.61 1cx1 n THR 150 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1cx1 s SER 151 N -3.49 4.92 0.00 1.09 0.01 -1.26 -4.73 113.70 110.24 1cx1 s SER 151 Ca 0.00 2.65 0.00 0.00 1.31 0.00 0.00 55.95 59.91 1cx1 s SER 151 Cb 0.00 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.61 1cx1 s SER 151 CO 0.00 -1.80 0.00 0.00 0.41 0.00 0.00 173.24 171.85 1cx1 n ALA 152 N -1.54 0.00 0.51 1.44 0.00 -1.19 -4.67 120.51 115.07 1cx1 n ALA 152 Ca 0.14 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.64 1cx1 n ALA 152 Cb 0.47 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.97 1cx1 n ALA 152 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91