#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 -1.29 0.00 3.41 -1.26 -4.84 113.62 109.64 1cx1 n SER 2 Ca 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.69 1cx1 n SER 2 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1cx1 n SER 2 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1cx1 n LEU 3 N 0.00 -0.94 0.00 1.04 7.94 -1.25 -4.76 117.00 119.03 1cx1 n LEU 3 Ca 0.00 1.90 0.00 0.00 -1.11 0.00 0.00 56.01 56.80 1cx1 n LEU 3 Cb 0.00 -2.70 0.00 0.00 0.53 0.00 0.00 43.42 41.25 1cx1 n LEU 3 CO 0.00 -1.19 0.00 0.47 -1.11 0.00 0.00 177.39 175.56 1cx1 n ASP 4 N -3.41 0.00 -2.84 1.96 8.00 -1.26 -4.77 116.55 114.24 1cx1 n ASP 4 Ca -0.04 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.28 1cx1 n ASP 4 Cb 0.45 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.56 1cx1 n ASP 4 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1cx1 n SER 5 N -3.76 -4.70 -4.63 -2.24 7.64 -1.26 -4.56 113.62 100.11 1cx1 n SER 5 Ca 0.00 0.06 -0.51 0.00 1.01 0.00 0.00 58.87 59.43 1cx1 n SER 5 Cb 0.00 -1.25 -0.06 0.00 -1.01 0.00 0.00 64.21 61.89 1cx1 n SER 5 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1cx1 n GLU 6 N 0.41 1.68 -0.12 1.43 4.71 -1.26 -4.73 120.64 122.75 1cx1 n GLU 6 Ca -0.04 0.58 0.00 0.00 -0.01 0.00 0.00 57.16 57.69 1cx1 n GLU 6 Cb 0.48 -2.51 0.00 0.00 -1.01 0.00 0.00 31.44 28.40 1cx1 n GLU 6 CO 0.00 0.00 0.00 1.55 0.09 0.00 0.00 177.13 178.77 1cx1 n VAL 7 N 5.67 0.68 -1.24 2.62 3.14 -1.26 -4.80 118.33 123.14 1cx1 n VAL 7 Ca 0.28 -0.12 -0.17 0.00 -2.96 0.00 0.00 64.34 61.37 1cx1 n VAL 7 Cb 0.25 -1.00 -0.17 0.00 -1.06 0.00 0.00 33.84 31.86 1cx1 n VAL 7 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 1cx1 n GLU 8 N 1.36 0.00 -0.02 1.45 2.13 -1.26 -4.63 120.64 119.67 1cx1 n GLU 8 Ca 0.00 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.84 1cx1 n GLU 8 Cb 0.21 -0.86 0.35 0.00 0.27 0.00 0.00 31.44 31.41 1cx1 n GLU 8 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1cx1 h LEU 9 N 9.25 0.52 -7.95 4.31 3.38 -1.87 -3.35 115.31 119.60 1cx1 h LEU 9 Ca 0.03 -0.05 -0.72 0.00 0.09 0.00 0.00 57.88 57.23 1cx1 h LEU 9 Cb 0.96 -0.13 -0.30 0.00 0.09 0.00 0.00 40.66 41.28 1cx1 h LEU 9 CO 1.33 0.48 -0.41 -0.22 0.09 0.00 0.00 178.44 179.71 1cx1 s LEU 10 N -9.32 5.61 -0.03 1.67 1.98 -1.26 -4.95 118.68 112.38 1cx1 s LEU 10 Ca -0.08 -1.90 0.00 0.00 -2.89 0.00 0.00 54.13 49.27 1cx1 s LEU 10 Cb 0.16 -1.99 0.05 0.00 0.66 0.00 0.00 46.19 45.07 1cx1 s LEU 10 CO 0.75 -0.67 1.10 -0.81 -1.89 0.00 0.00 176.35 174.84 1cx1 n PRO 11 N 4.87 1.09 -3.78 0.98 -0.04 -1.26 -4.61 135.00 132.25 1cx1 n PRO 11 Ca -0.07 -0.21 -0.32 0.00 -0.04 0.00 0.00 63.50 62.85 1cx1 n PRO 11 Cb 0.41 -1.08 -0.10 0.00 -0.04 0.00 0.00 33.50 32.69 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 -0.23 3.66 -0.37 0.54 2.46 -1.26 -4.88 115.29 115.21 1cx1 s HIS 12 Ca 0.04 -3.14 0.07 0.00 0.47 0.00 0.00 55.06 52.49 1cx1 s HIS 12 Cb 0.03 -2.99 0.44 0.00 -0.13 0.00 0.00 32.58 29.94 1cx1 s HIS 12 CO 0.01 -0.67 1.14 -2.37 -2.47 0.00 0.00 174.74 170.38 1cx1 n THR 13 N 2.35 2.35 -3.45 0.89 5.66 -1.26 -4.68 114.28 116.15 1cx1 n THR 13 Ca 0.18 -4.54 -0.27 0.00 -3.05 0.00 0.00 64.05 56.38 1cx1 n THR 13 Cb 0.36 -1.08 -0.09 0.00 -1.55 0.00 0.00 70.33 67.97 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 -0.56 2.64 -0.91 1.09 2.88 -1.26 -4.15 113.62 113.35 1cx1 n SER 14 Ca 0.39 -3.19 -0.01 0.00 -1.33 0.00 0.00 58.87 54.73 1cx1 n SER 14 Cb 0.79 -0.67 0.05 0.00 -0.75 0.00 0.00 64.21 63.63 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 1.26 0.40 -0.00 0.66 3.01 0.77 -3.73 117.46 119.82 1cx1 n PHE 15 Ca 0.26 -0.35 -0.15 0.00 1.01 0.00 0.00 57.45 58.22 1cx1 n PHE 15 Cb 0.43 -0.24 -0.14 0.00 -0.01 0.00 0.00 39.48 39.52 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 0.15 1.17 -1.32 4.37 0.00 -1.20 -3.84 120.51 119.85 1cx1 n ALA 16 Ca 0.07 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.84 1cx1 n ALA 16 Cb 0.52 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.19 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 -3.27 0.00 -3.24 0.00 -0.58 -1.24 -4.36 120.64 107.95 1cx1 n GLU 17 Ca -0.24 0.00 -0.36 0.00 -0.42 0.00 0.00 57.16 56.14 1cx1 n GLU 17 Cb 1.05 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.86 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 -0.01 6.94 0.06 1.62 0.01 -1.26 -4.90 113.70 116.15 1cx1 s SER 18 Ca 0.00 1.24 -0.35 0.00 1.31 0.00 0.00 55.95 58.15 1cx1 s SER 18 Cb 0.00 -2.35 -0.20 0.00 0.21 0.00 0.00 66.02 63.68 1cx1 s SER 18 CO 0.00 0.08 1.56 -0.07 0.41 0.00 0.00 173.24 175.22 1cx1 h LEU 19 N 3.56 -0.95 0.00 2.44 3.38 -1.90 -3.40 115.31 118.44 1cx1 h LEU 19 Ca -0.48 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1cx1 h LEU 19 Cb 1.19 0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.19 1cx1 h LEU 19 CO 0.65 -0.67 0.00 0.61 0.09 0.00 0.00 178.44 179.13 1cx1 n GLY 20 N -1.50 -0.16 0.23 0.83 0.00 -1.26 -4.70 105.19 98.63 1cx1 n GLY 20 Ca -0.15 -2.26 0.14 0.00 0.00 0.00 0.00 46.02 43.75 1cx1 n GLY 20 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1cx1 h PRO 21 N 7.23 0.00 0.00 1.61 0.13 -1.96 -3.45 132.00 135.56 1cx1 h PRO 21 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1cx1 h PRO 21 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1cx1 h PRO 21 CO 0.00 0.00 0.00 0.91 -0.23 0.00 0.00 178.00 178.68 1cx1 n TRP 22 N -2.97 -1.02 -4.14 1.56 7.02 -1.26 -4.99 117.44 111.63 1cx1 n TRP 22 Ca 0.03 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.39 1cx1 n TRP 22 Cb 0.41 0.00 -0.09 0.00 -2.42 0.00 0.00 31.31 29.21 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 -1.66 0.09 -0.28 -0.99 0.01 0.84 -4.95 113.70 106.75 1cx1 s SER 23 Ca 0.00 -1.26 -0.24 0.00 1.31 0.00 0.00 55.95 55.77 1cx1 s SER 23 Cb 0.00 0.43 0.13 0.00 0.21 0.00 0.00 66.02 66.79 1cx1 s SER 23 CO 0.00 -0.92 1.05 -1.48 0.41 0.00 0.00 173.24 172.30 1cx1 s LEU 24 N -3.12 -0.44 -0.25 2.44 0.05 -1.26 -0.56 118.68 115.54 1cx1 s LEU 24 Ca 0.34 0.82 -0.37 0.00 0.05 0.00 0.00 54.13 54.97 1cx1 s LEU 24 Cb 0.05 1.82 0.15 0.00 -2.05 0.00 0.00 46.19 46.16 1cx1 s LEU 24 CO 0.11 -0.14 1.32 -0.72 -0.55 0.00 0.00 176.35 176.37 1cx1 s TYR 25 N 0.37 -0.06 0.00 3.48 1.13 -1.16 -5.00 117.35 116.12 1cx1 s TYR 25 Ca 0.02 0.04 0.00 0.00 -1.41 0.00 0.00 57.07 55.72 1cx1 s TYR 25 Cb -0.05 0.50 0.00 0.00 -1.10 0.00 0.00 41.96 41.32 1cx1 s TYR 25 CO -0.08 -0.08 0.00 0.41 -2.51 0.00 0.00 175.55 173.29 1cx1 n GLY 26 N 0.01 2.34 0.00 5.49 0.00 -1.26 -2.57 105.19 109.19 1cx1 n GLY 26 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.39 0.00 -1.38 2.61 5.66 -1.22 -3.76 114.28 115.81 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 -4.73 1.09 3.41 -1.23 -4.98 113.62 107.17 1cx1 n SER 28 Ca 0.00 -0.21 -0.38 0.00 -0.26 0.00 0.00 58.87 58.01 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 -1.83 -0.16 0.00 0.00 175.04 173.05 1cx1 s GLU 29 N 0.85 4.34 0.16 4.33 -1.05 -1.26 -4.77 118.70 121.30 1cx1 s GLU 29 Ca 0.00 0.61 -0.31 0.00 -0.15 0.00 0.00 54.97 55.13 1cx1 s GLU 29 Cb 0.00 -3.41 -0.08 0.00 -0.44 0.00 0.00 34.13 30.20 1cx1 s GLU 29 CO 0.00 0.20 1.34 -1.25 0.95 0.00 0.00 175.26 176.49 1cx1 s PRO 30 N 0.43 4.36 -0.26 -4.83 0.04 -1.26 -4.70 135.00 128.78 1cx1 s PRO 30 Ca 0.30 2.05 0.02 0.00 0.04 0.00 0.00 61.00 63.40 1cx1 s PRO 30 Cb -0.16 -3.23 0.05 0.00 0.04 0.00 0.00 34.50 31.20 1cx1 s PRO 30 CO 0.14 -0.33 -0.10 0.08 0.04 0.00 0.00 177.00 176.83 1cx1 s VAL 31 N 0.58 2.34 -1.14 -0.36 1.01 -1.17 -4.92 120.40 116.74 1cx1 s VAL 31 Ca 0.60 -1.50 -0.21 0.00 0.00 0.00 0.00 61.98 60.88 1cx1 s VAL 31 Cb -0.36 -2.33 0.06 0.00 0.00 0.00 0.00 36.38 33.76 1cx1 s VAL 31 CO 0.34 0.02 1.56 0.72 0.00 0.00 0.00 175.10 177.75 1cx1 s PHE 32 N 1.16 2.67 0.00 5.22 -0.12 -1.26 -3.02 117.98 122.63 1cx1 s PHE 32 Ca -0.07 -1.22 0.00 0.00 -0.05 0.00 0.00 56.93 55.59 1cx1 s PHE 32 Cb -0.19 -4.70 0.00 0.00 -0.63 0.00 0.00 43.02 37.49 1cx1 s PHE 32 CO -0.05 -1.86 0.00 0.00 -0.05 0.00 0.00 175.22 173.26 1cx1 n ALA 33 N 8.54 0.00 -0.00 1.99 0.00 0.20 -4.71 120.51 126.53 1cx1 n ALA 33 Ca 0.40 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.82 1cx1 n ALA 33 Cb 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.92 1cx1 n ALA 33 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1cx1 h ASP 34 N 0.00 -0.24 -0.21 0.00 5.19 -1.93 -3.37 116.42 115.87 1cx1 h ASP 34 Ca 0.00 0.03 -0.21 0.00 -0.62 0.00 0.00 57.03 56.23 1cx1 h ASP 34 Cb 0.00 0.09 -0.38 0.00 0.18 0.00 0.00 39.33 39.23 1cx1 h ASP 34 CO 0.00 -0.07 -1.02 0.61 -3.12 0.00 0.00 179.24 175.64 1cx1 n GLY 35 N -1.06 1.40 3.24 2.75 0.00 -1.26 -4.79 105.19 105.47 1cx1 n GLY 35 Ca -0.01 -0.89 -0.13 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.82 0.62 -0.07 1.61 1.70 -1.26 -4.31 118.95 115.42 1cx1 s ARG 36 Ca 0.28 -0.04 0.05 0.00 -0.47 0.00 0.00 55.73 55.55 1cx1 s ARG 36 Cb 0.34 0.28 -0.00 0.00 -0.57 0.00 0.00 34.95 35.00 1cx1 s ARG 36 CO -0.10 -0.16 -0.23 0.00 -1.08 0.00 0.00 175.30 173.73 1cx1 s MET 37 N -1.01 2.62 0.04 3.89 0.23 0.29 0.58 119.30 125.94 1cx1 s MET 37 Ca -0.11 -0.83 0.05 0.00 -1.03 0.00 0.00 55.69 53.77 1cx1 s MET 37 Cb -0.05 -2.11 -0.02 0.00 -1.53 0.00 0.00 34.83 31.13 1cx1 s MET 37 CO 0.04 0.26 -0.15 0.00 -2.03 0.00 0.00 175.02 173.13 1cx1 s VAL 39 N -0.79 3.45 -0.09 0.00 -7.23 -0.74 -3.01 120.40 111.98 1cx1 s VAL 39 Ca 0.03 -0.93 -0.30 0.00 -1.81 0.00 0.00 61.98 58.97 1cx1 s VAL 39 Cb -0.08 -2.51 -0.03 0.00 0.56 0.00 0.00 36.38 34.32 1cx1 s VAL 39 CO 0.01 0.33 1.23 -1.81 -0.31 0.00 0.00 175.10 174.56 1cx1 s ASP 40 N -1.57 7.00 -0.64 4.85 1.11 -1.26 -3.14 116.67 123.03 1cx1 s ASP 40 Ca 0.18 1.79 0.06 0.00 0.18 0.00 0.00 52.55 54.75 1cx1 s ASP 40 Cb -0.11 -2.55 0.21 0.00 1.07 0.00 0.00 42.92 41.54 1cx1 s ASP 40 CO 0.08 -0.65 0.60 0.18 1.18 0.00 0.00 175.17 176.56 1cx1 n LEU 41 N 5.71 2.93 0.00 1.23 7.99 -0.18 -3.56 117.00 131.11 1cx1 n LEU 41 Ca 0.12 -5.23 0.00 0.00 -0.01 0.00 0.00 56.01 50.89 1cx1 n LEU 41 Cb 0.46 -0.54 0.00 0.00 -0.11 0.00 0.00 43.42 43.23 1cx1 n LEU 41 CO 0.56 1.92 0.00 -2.65 -1.51 0.00 0.00 177.39 175.70 1cx1 n PRO 42 N 1.49 0.77 -3.07 3.23 -0.02 -1.24 0.19 135.00 136.35 1cx1 n PRO 42 Ca 0.25 0.00 -0.25 0.00 -2.02 0.00 0.00 63.50 61.48 1cx1 n PRO 42 Cb 0.40 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.83 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 5.02 0.26 -1.23 0.00 -1.26 -3.33 105.19 104.65 1cx1 n GLY 43 Ca 0.00 -2.54 0.00 0.00 0.00 0.00 0.00 46.02 43.48 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 0.09 0.41 3.33 -0.02 0.00 -1.15 -4.18 105.19 103.67 1cx1 n GLY 44 Ca 0.29 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.84 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 3.53 0.00 1.61 -0.21 -1.26 -4.72 119.66 118.61 1cx1 s GLN 45 Ca 0.00 -2.36 0.15 0.00 0.02 0.00 0.00 55.36 53.17 1cx1 s GLN 45 Cb 0.00 -4.42 0.71 0.00 1.00 0.00 0.00 33.01 30.30 1cx1 s GLN 45 CO 0.00 -1.30 1.46 0.41 -2.12 0.00 0.00 175.29 173.74 1cx1 n GLY 46 N 4.14 -0.91 3.61 3.09 0.00 -1.26 -2.70 105.19 111.16 1cx1 n GLY 46 Ca 0.10 -0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.79 6.06 0.00 1.61 6.03 -1.26 -4.93 114.94 119.65 1cx1 s ASN 47 Ca 0.11 0.04 0.11 0.00 -1.03 0.00 0.00 52.86 52.08 1cx1 s ASN 47 Cb 0.10 -2.12 0.64 0.00 -3.03 0.00 0.00 41.25 36.84 1cx1 s ASN 47 CO 0.26 -0.01 1.26 -0.81 -2.03 0.00 0.00 177.10 175.76 1cx1 n PRO 48 N 4.81 0.81 -1.18 3.55 -0.04 -1.26 -3.24 135.00 138.45 1cx1 n PRO 48 Ca -0.14 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.29 1cx1 n PRO 48 Cb 0.52 -1.21 0.13 0.00 -0.04 0.00 0.00 33.50 32.90 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 -0.71 0.80 -2.35 0.54 4.27 -1.26 -4.67 117.44 114.05 1cx1 n TRP 49 Ca 0.08 -1.62 -0.18 0.00 -3.89 0.00 0.00 57.50 51.89 1cx1 n TRP 49 Cb 0.04 -0.26 0.02 0.00 -1.36 0.00 0.00 31.31 29.75 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 -0.82 3.86 0.00 -0.67 8.00 -1.20 -4.96 116.55 120.75 1cx1 n ASP 50 Ca 0.24 -3.29 0.00 0.00 0.71 0.00 0.00 54.79 52.45 1cx1 n ASP 50 Cb 0.82 -0.41 0.00 0.00 -0.02 0.00 0.00 41.12 41.50 1cx1 n ASP 50 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cx1 n ALA 51 N -0.57 0.00 0.00 2.24 0.00 -1.20 -3.40 120.51 117.57 1cx1 n ALA 51 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1cx1 n ALA 51 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.30 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 2.63 2.42 0.00 0.00 -1.06 -3.07 105.19 106.10 1cx1 n GLY 52 Ca 0.00 -0.76 -0.19 0.00 0.00 0.00 0.00 46.02 45.08 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 -3.48 0.99 4.77 -0.91 -2.98 117.00 115.39 1cx1 n LEU 53 Ca 0.00 -0.88 -0.10 0.00 -0.03 0.00 0.00 56.01 55.00 1cx1 n LEU 53 Cb 0.00 -0.65 -0.02 0.00 -2.33 0.00 0.00 43.42 40.42 1cx1 n LEU 53 CO 0.00 -1.29 0.60 -0.69 -1.33 0.00 0.00 177.39 174.68 1cx1 s VAL 54 N -2.70 0.00 0.00 4.08 1.01 0.27 -1.89 120.40 121.17 1cx1 s VAL 54 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.46 1cx1 s VAL 54 Cb -0.02 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.36 1cx1 s VAL 54 CO 0.34 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.44 1cx1 n TYR 55 N -0.20 0.00 -3.03 5.22 9.36 -1.00 -0.11 117.16 127.40 1cx1 n TYR 55 Ca -0.12 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.10 1cx1 n TYR 55 Cb 0.62 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.33 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 1.12 -1.29 2.98 5.03 -1.26 0.18 115.26 122.02 1cx1 n ASN 56 Ca 0.00 -0.48 0.00 0.00 0.87 0.00 0.00 54.58 54.97 1cx1 n ASN 56 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 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 -0.29 2.75 7.41 0.00 -1.26 -4.79 105.19 114.00 1cx1 n GLY 57 Ca 0.00 -0.24 -0.05 0.00 0.00 0.00 0.00 46.02 45.73 1cx1 n GLY 57 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1cx1 n VAL 58 N -0.67 0.00 -1.10 1.61 0.31 -1.26 -4.91 118.33 112.30 1cx1 n VAL 58 Ca 0.00 -1.07 -0.36 0.00 -0.01 0.00 0.00 64.34 62.91 1cx1 n VAL 58 Cb 0.24 1.09 0.07 0.00 -0.91 0.00 0.00 33.84 34.34 1cx1 n VAL 58 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1cx1 n PRO 59 N 2.61 0.07 -3.73 5.55 -0.02 -1.26 -4.58 135.00 133.63 1cx1 n PRO 59 Ca 0.15 0.06 -0.25 0.00 -2.02 0.00 0.00 63.50 61.44 1cx1 n PRO 59 Cb 0.58 -1.61 -0.17 0.00 -0.02 0.00 0.00 33.50 32.28 1cx1 n PRO 59 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1cx1 s VAL 60 N -2.06 0.35 -0.27 -1.45 1.01 -0.99 -4.97 120.40 112.02 1cx1 s VAL 60 Ca 0.58 -0.17 -0.04 0.00 0.00 0.00 0.00 61.98 62.35 1cx1 s VAL 60 Cb -0.30 -0.72 0.09 0.00 0.00 0.00 0.00 36.38 35.46 1cx1 s VAL 60 CO 0.65 -0.01 0.12 -0.83 0.00 0.00 0.00 175.10 175.04 1cx1 s GLY 61 N 1.96 0.54 0.91 4.51 0.00 -1.25 -1.88 107.32 112.10 1cx1 s GLY 61 Ca 0.02 -1.01 -0.20 0.00 0.00 0.00 0.00 44.72 43.52 1cx1 s GLY 61 CO -0.07 1.95 -1.08 -2.21 0.00 0.00 0.00 173.10 171.70 1cx1 n GLU 62 N 5.21 0.00 0.00 2.90 4.07 0.10 -3.37 120.64 129.55 1cx1 n GLU 62 Ca -0.06 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.04 1cx1 n GLU 62 Cb 0.43 -0.91 0.00 0.00 -0.06 0.00 0.00 31.44 30.90 1cx1 n GLU 62 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1cx1 n GLY 63 N 3.18 2.82 3.89 8.31 0.00 -1.26 -4.77 105.19 117.36 1cx1 n GLY 63 Ca -0.02 -0.71 -0.36 0.00 0.00 0.00 0.00 46.02 44.94 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 3.46 -0.28 1.61 0.41 -1.22 -4.87 118.70 117.82 1cx1 s GLU 64 Ca 0.00 -0.16 -0.11 0.00 -0.41 0.00 0.00 54.97 54.29 1cx1 s GLU 64 Cb 0.00 -3.16 -0.05 0.00 -1.78 0.00 0.00 34.13 29.14 1cx1 s GLU 64 CO 0.00 0.74 0.19 -1.12 -0.49 0.00 0.00 175.26 174.58 1cx1 s SER 65 N -1.31 6.04 0.79 -0.19 0.01 -1.26 -3.56 113.70 114.22 1cx1 s SER 65 Ca 0.19 0.01 -0.08 0.00 1.31 0.00 0.00 55.95 57.38 1cx1 s SER 65 Cb -0.12 -2.12 0.12 0.00 0.21 0.00 0.00 66.02 64.11 1cx1 s SER 65 CO 0.09 -0.04 1.11 -0.31 0.41 0.00 0.00 173.24 174.49 1cx1 s TYR 66 N 1.69 2.12 -0.22 2.43 2.02 -0.96 -4.70 117.35 119.73 1cx1 s TYR 66 Ca 0.07 0.20 -0.14 0.00 -0.37 0.00 0.00 57.07 56.83 1cx1 s TYR 66 Cb -0.16 -3.43 0.06 0.00 -0.40 0.00 0.00 41.96 38.04 1cx1 s TYR 66 CO 0.10 -1.89 0.54 0.08 -1.57 0.00 0.00 175.55 172.82 1cx1 s VAL 67 N -3.42 -0.01 -0.13 0.71 1.01 0.06 -2.69 120.40 115.93 1cx1 s VAL 67 Ca 0.66 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.68 1cx1 s VAL 67 Cb -0.07 -0.79 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 1cx1 s VAL 67 CO 0.47 0.01 -0.13 -0.22 0.00 0.00 0.00 175.10 175.24 1cx1 s LEU 68 N 1.17 2.72 -0.46 3.92 0.20 -1.16 -1.21 118.68 123.86 1cx1 s LEU 68 Ca -0.07 -0.32 0.02 0.00 0.69 0.00 0.00 54.13 54.45 1cx1 s LEU 68 Cb -0.06 -1.61 0.12 0.00 -0.43 0.00 0.00 46.19 44.21 1cx1 s LEU 68 CO -0.11 0.18 0.20 -0.94 -0.29 0.00 0.00 176.35 175.38 1cx1 s SER 69 N 0.29 4.71 -0.06 3.68 1.04 0.39 -2.86 113.70 120.89 1cx1 s SER 69 Ca -0.10 -2.57 -0.16 0.00 0.48 0.00 0.00 55.95 53.61 1cx1 s SER 69 Cb -0.16 -1.69 -0.05 0.00 0.10 0.00 0.00 66.02 64.22 1cx1 s SER 69 CO 0.05 -0.34 0.41 0.72 0.98 0.00 0.00 173.24 175.07 1cx1 s PHE 70 N 0.34 3.62 -0.46 5.02 -0.12 -1.16 -2.95 117.98 122.28 1cx1 s PHE 70 Ca 0.14 0.90 -0.22 0.00 -0.05 0.00 0.00 56.93 57.70 1cx1 s PHE 70 Cb -0.22 -2.38 0.03 0.00 -0.63 0.00 0.00 43.02 39.82 1cx1 s PHE 70 CO -0.04 0.44 0.72 0.95 -0.05 0.00 0.00 175.22 177.24 1cx1 s THR 71 N -0.33 4.73 0.23 -4.49 -4.23 -1.14 -2.84 115.64 107.56 1cx1 s THR 71 Ca 0.23 0.19 -0.21 0.00 -1.18 0.00 0.00 61.69 60.73 1cx1 s THR 71 Cb -0.16 -4.29 0.04 0.00 1.34 0.00 0.00 72.50 69.43 1cx1 s THR 71 CO 0.11 -0.71 0.64 0.00 -0.54 0.00 0.00 174.62 174.12 1cx1 s ALA 72 N 3.07 -1.25 0.21 3.99 0.00 -1.19 -2.69 121.76 123.91 1cx1 s ALA 72 Ca 0.25 -0.07 0.05 0.00 0.00 0.00 0.00 51.96 52.20 1cx1 s ALA 72 Cb -0.14 0.87 -0.05 0.00 0.00 0.00 0.00 23.12 23.80 1cx1 s ALA 72 CO 0.20 -0.91 -0.06 -1.54 0.00 0.00 0.00 175.76 173.45 1cx1 s SER 73 N -2.86 2.13 -0.16 0.00 1.04 -0.16 -2.32 113.70 111.37 1cx1 s SER 73 Ca 0.08 -1.13 0.00 0.00 0.48 0.00 0.00 55.95 55.39 1cx1 s SER 73 Cb -0.03 -0.05 0.02 0.00 0.10 0.00 0.00 66.02 66.06 1cx1 s SER 73 CO -0.01 -0.38 -0.14 0.00 0.98 0.00 0.00 173.24 173.70 1cx1 s ALA 74 N -3.24 1.88 -0.13 5.32 0.00 0.12 -3.12 121.76 122.59 1cx1 s ALA 74 Ca 0.25 -0.95 -0.01 0.00 0.00 0.00 0.00 51.96 51.25 1cx1 s ALA 74 Cb 0.03 -1.09 0.04 0.00 0.00 0.00 0.00 23.12 22.11 1cx1 s ALA 74 CO 0.07 -0.44 -0.03 0.95 0.00 0.00 0.00 175.76 176.31 1cx1 s THR 75 N 1.47 0.80 0.00 0.00 -4.23 -1.18 -2.78 115.64 109.72 1cx1 s THR 75 Ca 0.04 -0.34 0.00 0.00 -1.18 0.00 0.00 61.69 60.21 1cx1 s THR 75 Cb -0.13 -0.99 0.00 0.00 1.34 0.00 0.00 72.50 72.72 1cx1 s THR 75 CO -0.10 0.16 0.00 -2.65 -0.54 0.00 0.00 174.62 171.49 1cx1 n PRO 76 N 4.99 3.08 -3.80 3.99 -0.02 -1.26 -1.81 135.00 140.17 1cx1 n PRO 76 Ca -0.10 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.06 1cx1 n PRO 76 Cb 0.49 0.00 -0.04 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 -1.71 6.43 0.00 2.55 1.11 -1.25 -4.61 116.67 119.19 1cx1 s ASP 77 Ca 0.00 0.43 0.00 0.00 0.18 0.00 0.00 52.55 53.16 1cx1 s ASP 77 Cb 0.00 -2.03 0.00 0.00 1.07 0.00 0.00 42.92 41.96 1cx1 s ASP 77 CO 0.00 0.13 0.00 1.15 1.18 0.00 0.00 175.17 177.63 1cx1 n MET 78 N 0.30 0.00 -2.72 8.23 0.00 -1.17 -5.05 117.12 116.71 1cx1 n MET 78 Ca -0.05 0.00 -0.43 0.00 0.00 0.00 0.00 57.70 57.23 1cx1 n MET 78 Cb 0.51 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.71 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 4.20 0.66 3.17 0.04 -1.26 -3.15 135.00 136.65 1cx1 s PRO 79 Ca 0.00 1.19 -0.05 0.00 0.04 0.00 0.00 61.00 62.18 1cx1 s PRO 79 Cb 0.00 -3.66 0.05 0.00 0.04 0.00 0.00 34.50 30.93 1cx1 s PRO 79 CO 0.00 -0.66 0.95 0.14 0.04 0.00 0.00 177.00 177.47 1cx1 s VAL 80 N 3.19 2.51 -0.08 -0.36 -7.23 -0.33 -4.78 120.40 113.33 1cx1 s VAL 80 Ca 0.42 -0.33 0.00 0.00 -1.81 0.00 0.00 61.98 60.26 1cx1 s VAL 80 Cb -0.15 -3.05 -0.03 0.00 0.56 0.00 0.00 36.38 33.72 1cx1 s VAL 80 CO 0.08 -0.05 -0.06 -0.60 -0.31 0.00 0.00 175.10 174.17 1cx1 s ARG 81 N -5.12 2.84 0.01 4.82 3.52 -1.18 -2.98 118.95 120.87 1cx1 s ARG 81 Ca 0.59 -0.52 -0.02 0.00 -0.13 0.00 0.00 55.73 55.65 1cx1 s ARG 81 Cb -0.11 -2.64 -0.01 0.00 -1.56 0.00 0.00 34.95 30.63 1cx1 s ARG 81 CO 0.43 0.65 0.01 0.54 -0.81 0.00 0.00 175.30 176.12 1cx1 s VAL 82 N -0.76 0.09 -0.06 7.11 0.11 -1.19 -3.16 120.40 122.54 1cx1 s VAL 82 Ca 0.12 -0.71 -0.10 0.00 -2.93 0.00 0.00 61.98 58.35 1cx1 s VAL 82 Cb -0.11 -0.26 0.02 0.00 -1.53 0.00 0.00 36.38 34.50 1cx1 s VAL 82 CO 0.02 -0.39 0.25 -1.48 -3.33 0.00 0.00 175.10 170.16 1cx1 s LEU 83 N -1.19 1.08 -0.10 2.54 2.34 -1.12 -3.70 118.68 118.52 1cx1 s LEU 83 Ca -0.13 0.29 -0.18 0.00 0.06 0.00 0.00 54.13 54.17 1cx1 s LEU 83 Cb -0.08 0.93 0.04 0.00 -0.56 0.00 0.00 46.19 46.52 1cx1 s LEU 83 CO -0.00 -0.22 0.44 -0.69 -1.06 0.00 0.00 176.35 174.82 1cx1 s VAL 84 N -0.46 0.02 0.00 1.48 1.01 -0.48 -2.08 120.40 119.89 1cx1 s VAL 84 Ca -0.06 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.76 1cx1 s VAL 84 Cb -0.04 -0.69 0.00 0.00 0.00 0.00 0.00 36.38 35.65 1cx1 s VAL 84 CO 0.01 -0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.63 1cx1 n GLY 85 N 1.99 0.60 3.94 4.51 0.00 0.95 -2.66 105.19 114.51 1cx1 n GLY 85 Ca -0.17 -0.39 -0.25 0.00 0.00 0.00 0.00 46.02 45.22 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 0.00 2.97 0.00 1.61 1.03 -1.26 0.19 118.70 123.24 1cx1 s GLU 86 Ca 0.00 -0.28 0.00 0.00 0.03 0.00 0.00 54.97 54.72 1cx1 s GLU 86 Cb 0.00 -2.42 0.00 0.00 -0.80 0.00 0.00 34.13 30.91 1cx1 s GLU 86 CO 0.00 -0.49 0.00 0.41 -1.33 0.00 0.00 175.26 173.85 1cx1 n GLY 87 N -2.33 0.00 3.89 -3.83 0.00 -1.26 -4.52 105.19 97.14 1cx1 n GLY 87 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 1cx1 n GLY 87 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1cx1 s GLY 88 N -2.38 1.62 0.00 -0.02 0.00 -1.26 -4.85 107.32 100.43 1cx1 s GLY 88 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 44.72 44.27 1cx1 s GLY 88 CO 0.00 -0.07 0.00 0.61 0.00 0.00 0.00 173.10 173.64 1cx1 n GLY 89 N -3.00 1.97 2.80 0.20 0.00 -1.26 -3.57 105.19 102.33 1cx1 n GLY 89 Ca 0.07 0.01 -0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 5.44 2.61 -1.51 4.61 0.00 -1.26 -5.02 120.51 125.38 1cx1 n ALA 90 Ca 0.00 -2.56 -0.12 0.00 0.00 0.00 0.00 53.44 50.76 1cx1 n ALA 90 Cb 0.00 -0.87 -0.11 0.00 0.00 0.00 0.00 19.45 18.47 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 -0.68 0.81 -0.61 0.00 4.02 -1.23 -4.84 117.16 114.62 1cx1 n TYR 91 Ca 0.04 -0.13 -0.19 0.00 -0.01 0.00 0.00 57.90 57.61 1cx1 n TYR 91 Cb 0.81 -2.37 0.00 0.00 -0.02 0.00 0.00 39.34 37.76 1cx1 n TYR 91 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 176.86 178.74 1cx1 n ARG 92 N 7.76 0.00 0.00 -0.72 1.85 -1.26 -4.29 116.66 120.00 1cx1 n ARG 92 Ca 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.22 1cx1 n ARG 92 Cb 0.47 -0.49 0.00 0.00 -1.05 0.00 0.00 32.46 31.39 1cx1 n ARG 92 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 177.63 175.25 1cx1 n THR 93 N -0.69 0.00 -0.00 8.89 5.66 -1.26 -4.78 114.28 122.10 1cx1 n THR 93 Ca 0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.04 1cx1 n THR 93 Cb 0.22 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 68.99 1cx1 n THR 93 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1cx1 n ALA 94 N -3.00 2.02 -1.05 1.79 0.00 -1.26 -4.66 120.51 114.36 1cx1 n ALA 94 Ca 0.00 -0.03 -0.21 0.00 0.00 0.00 0.00 53.44 53.20 1cx1 n ALA 94 Cb 0.00 0.02 0.03 0.00 0.00 0.00 0.00 19.45 19.50 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 -1.65 1.78 -1.15 0.00 -0.00 -1.09 -4.59 117.46 110.76 1cx1 n PHE 95 Ca -0.01 -2.10 -0.21 0.00 -0.00 0.00 0.00 57.45 55.13 1cx1 n PHE 95 Cb 0.14 -1.09 -0.00 0.00 -0.00 0.00 0.00 39.48 38.53 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 0.26 2.07 -4.32 -4.13 2.13 -1.26 -1.38 120.64 114.02 1cx1 n GLU 96 Ca 0.37 -1.91 -0.35 0.00 0.66 0.00 0.00 57.16 55.94 1cx1 n GLU 96 Cb 0.58 -1.86 -0.10 0.00 0.27 0.00 0.00 31.44 30.34 1cx1 n GLU 96 CO 0.00 0.00 0.00 1.14 -0.41 0.00 0.00 177.13 177.86 1cx1 s GLN 97 N -1.76 3.23 -0.08 5.31 -2.07 -1.24 -4.98 119.66 118.07 1cx1 s GLN 97 Ca 0.44 -0.41 0.11 0.00 -1.82 0.00 0.00 55.36 53.68 1cx1 s GLN 97 Cb 0.31 -2.87 0.17 0.00 -1.09 0.00 0.00 33.01 29.53 1cx1 s GLN 97 CO -0.09 0.58 1.09 0.41 -1.32 0.00 0.00 175.29 175.96 1cx1 n GLY 98 N 2.52 3.04 3.09 2.60 0.00 -1.25 -3.18 105.19 112.01 1cx1 n GLY 98 Ca -0.18 -0.67 -0.40 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.82 5.27 -4.08 1.61 7.64 -1.26 -4.05 113.62 117.94 1cx1 n SER 99 Ca 0.09 -3.22 -0.34 0.00 1.01 0.00 0.00 58.87 56.42 1cx1 n SER 99 Cb 0.67 -1.19 -0.14 0.00 -1.01 0.00 0.00 64.21 62.55 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 -1.89 2.96 -0.24 -0.43 0.00 -1.16 -4.98 121.76 116.02 1cx1 s ALA 100 Ca 0.31 -2.38 -0.29 0.00 0.00 0.00 0.00 51.96 49.60 1cx1 s ALA 100 Cb -0.02 -2.10 0.01 0.00 0.00 0.00 0.00 23.12 21.00 1cx1 s ALA 100 CO -0.03 -1.64 1.11 -1.25 0.00 0.00 0.00 175.76 173.95 1cx1 s PRO 101 N 1.05 4.18 0.19 0.00 0.04 -1.26 -1.19 135.00 138.02 1cx1 s PRO 101 Ca 0.06 1.34 0.07 0.00 0.04 0.00 0.00 61.00 62.52 1cx1 s PRO 101 Cb -0.21 -3.70 -0.05 0.00 0.04 0.00 0.00 34.50 30.58 1cx1 s PRO 101 CO -0.05 -0.74 -0.14 -0.51 0.04 0.00 0.00 177.00 175.60 1cx1 s LEU 102 N 3.45 2.55 0.00 -3.56 1.43 -1.19 -4.98 118.68 116.38 1cx1 s LEU 102 Ca 0.47 -1.01 0.00 0.00 -1.03 0.00 0.00 54.13 52.56 1cx1 s LEU 102 Cb -0.16 -0.61 0.00 0.00 0.03 0.00 0.00 46.19 45.45 1cx1 s LEU 102 CO 0.11 -0.20 0.00 1.07 0.23 0.00 0.00 176.35 177.56 1cx1 n THR 103 N -0.32 0.00 -1.40 5.49 5.66 -1.26 -3.02 114.28 119.43 1cx1 n THR 103 Ca -0.09 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.83 1cx1 n THR 103 Cb 0.60 0.00 0.20 0.00 -1.55 0.00 0.00 70.33 69.58 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 4.80 2.97 1.09 0.00 -1.12 0.14 105.19 118.07 1cx1 n GLY 104 Ca 0.00 -1.20 -0.10 0.00 0.00 0.00 0.00 46.02 44.72 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 -3.25 0.27 -0.49 1.61 -1.05 -1.26 -4.83 118.70 109.70 1cx1 s GLU 105 Ca 0.47 -0.50 -0.46 0.00 -0.15 0.00 0.00 54.97 54.33 1cx1 s GLU 105 Cb 0.42 0.05 -0.19 0.00 -0.44 0.00 0.00 34.13 33.96 1cx1 s GLU 105 CO 0.02 -0.03 1.75 -2.30 0.95 0.00 0.00 175.26 175.65 1cx1 n PRO 106 N 1.89 0.06 -3.69 -4.83 -0.02 -1.26 -4.66 135.00 122.48 1cx1 n PRO 106 Ca -0.21 0.02 -0.11 0.00 -2.02 0.00 0.00 63.50 61.18 1cx1 n PRO 106 Cb 0.56 -1.54 -0.11 0.00 -0.02 0.00 0.00 33.50 32.39 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 3.84 -0.94 0.05 3.55 0.00 -0.98 -5.00 121.76 122.28 1cx1 s ALA 107 Ca 1.09 1.39 -0.16 0.00 0.00 0.00 0.00 51.96 54.28 1cx1 s ALA 107 Cb -1.47 -0.95 -0.06 0.00 0.00 0.00 0.00 23.12 20.64 1cx1 s ALA 107 CO 0.77 -0.36 0.48 0.95 0.00 0.00 0.00 175.76 177.60 1cx1 s THR 108 N 1.64 4.91 -0.08 0.00 -4.23 -1.26 -3.14 115.64 113.48 1cx1 s THR 108 Ca -0.07 0.93 0.02 0.00 -1.18 0.00 0.00 61.69 61.38 1cx1 s THR 108 Cb -0.10 -3.77 -0.02 0.00 1.34 0.00 0.00 72.50 69.95 1cx1 s THR 108 CO -0.12 0.50 -0.12 -0.13 -0.54 0.00 0.00 174.62 174.21 1cx1 s ARG 109 N -1.29 2.87 -0.30 3.99 1.81 -1.13 -4.92 118.95 119.98 1cx1 s ARG 109 Ca 0.28 -0.66 0.01 0.00 -1.72 0.00 0.00 55.73 53.64 1cx1 s ARG 109 Cb -0.17 -2.52 0.07 0.00 -0.45 0.00 0.00 34.95 31.88 1cx1 s ARG 109 CO 0.16 0.49 -0.01 -1.21 -0.68 0.00 0.00 175.30 174.05 1cx1 s GLU 110 N -0.36 2.17 -0.29 3.54 2.02 -1.25 -2.96 118.70 121.57 1cx1 s GLU 110 Ca 0.04 -1.45 -0.06 0.00 0.02 0.00 0.00 54.97 53.53 1cx1 s GLU 110 Cb -0.12 -3.13 0.01 0.00 0.10 0.00 0.00 34.13 30.99 1cx1 s GLU 110 CO 0.02 -0.70 0.05 0.71 0.02 0.00 0.00 175.26 175.36 1cx1 s TYR 111 N 1.13 3.13 0.43 1.61 2.02 -1.13 -4.90 117.35 119.63 1cx1 s TYR 111 Ca -0.03 -1.12 0.08 0.00 -0.37 0.00 0.00 57.07 55.63 1cx1 s TYR 111 Cb -0.20 -2.21 -0.00 0.00 -0.40 0.00 0.00 41.96 39.15 1cx1 s TYR 111 CO -0.04 -0.61 0.49 0.00 -1.57 0.00 0.00 175.55 173.81 1cx1 s ALA 112 N 1.46 4.32 0.00 3.71 0.00 -1.26 -3.00 121.76 126.99 1cx1 s ALA 112 Ca 0.02 -1.78 0.00 0.00 0.00 0.00 0.00 51.96 50.20 1cx1 s ALA 112 Cb -0.17 -1.32 0.00 0.00 0.00 0.00 0.00 23.12 21.63 1cx1 s ALA 112 CO 0.01 -0.28 0.00 1.97 0.00 0.00 0.00 175.76 177.46 1cx1 n PHE 113 N -1.72 0.00 -2.93 0.00 1.16 -1.10 -4.97 117.46 107.89 1cx1 n PHE 113 Ca 0.06 0.00 -0.30 0.00 -1.87 0.00 0.00 57.45 55.34 1cx1 n PHE 113 Cb 0.60 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.44 1cx1 n PHE 113 CO 0.00 0.00 0.00 0.95 -1.87 0.00 0.00 176.76 175.84 1cx1 s THR 114 N -2.00 4.84 -0.38 1.97 -4.23 -1.26 -2.27 115.64 112.31 1cx1 s THR 114 Ca 0.00 0.49 -0.02 0.00 -1.18 0.00 0.00 61.69 60.98 1cx1 s THR 114 Cb 0.00 -3.74 0.15 0.00 1.34 0.00 0.00 72.50 70.25 1cx1 s THR 114 CO 0.00 -0.50 2.35 -1.20 -0.54 0.00 0.00 174.62 174.73 1cx1 n SER 115 N -1.28 6.49 0.25 3.99 7.64 -1.23 -4.65 113.62 124.83 1cx1 n SER 115 Ca 0.02 -3.13 0.00 0.00 1.01 0.00 0.00 58.87 56.76 1cx1 n SER 115 Cb 0.54 -1.13 0.00 0.00 -1.01 0.00 0.00 64.21 62.61 1cx1 n SER 115 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1cx1 n ASN 116 N 0.56 0.00 -4.62 6.43 4.13 -1.26 0.03 115.26 120.53 1cx1 n ASN 116 Ca 0.39 0.38 -0.33 0.00 1.68 0.00 0.00 54.58 56.70 1cx1 n ASN 116 Cb 0.58 0.00 -0.10 0.00 -1.54 0.00 0.00 39.78 38.72 1cx1 n ASN 116 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1cx1 s LEU 117 N -4.26 3.28 -0.38 3.41 2.01 -1.26 -4.79 118.68 116.69 1cx1 s LEU 117 Ca 0.00 -0.09 -0.08 0.00 0.01 0.00 0.00 54.13 53.97 1cx1 s LEU 117 Cb 0.00 -1.86 0.05 0.00 0.01 0.00 0.00 46.19 44.39 1cx1 s LEU 117 CO 0.00 0.29 0.18 0.42 1.01 0.00 0.00 176.35 178.25 1cx1 s THR 118 N -1.00 4.05 -0.32 5.49 -4.23 -1.26 -3.95 115.64 114.42 1cx1 s THR 118 Ca 0.17 -1.22 -0.01 0.00 -1.18 0.00 0.00 61.69 59.45 1cx1 s THR 118 Cb -0.11 -3.37 0.11 0.00 1.34 0.00 0.00 72.50 70.46 1cx1 s THR 118 CO 0.08 -0.33 0.13 -0.36 -0.54 0.00 0.00 174.62 173.59 1cx1 s PHE 119 N 1.42 1.42 0.74 3.99 0.08 -0.79 -4.99 117.98 119.86 1cx1 s PHE 119 Ca 0.01 -1.65 -0.12 0.00 0.12 0.00 0.00 56.93 55.30 1cx1 s PHE 119 Cb -0.21 -1.53 0.03 0.00 -0.57 0.00 0.00 43.02 40.74 1cx1 s PHE 119 CO 0.03 -0.86 1.11 -1.25 -0.10 0.00 0.00 175.22 174.15 1cx1 s PRO 120 N 1.53 2.58 0.20 0.24 0.04 -1.26 -2.34 135.00 135.99 1cx1 s PRO 120 Ca 0.11 0.42 0.26 0.00 0.04 0.00 0.00 61.00 61.83 1cx1 s PRO 120 Cb -0.18 -1.99 0.83 0.00 0.04 0.00 0.00 34.50 33.19 1cx1 s PRO 120 CO -0.23 -1.23 1.78 -0.35 0.04 0.00 0.00 177.00 177.02 1cx1 n PRO 121 N -3.13 0.25 -4.04 0.56 -0.04 -1.26 -4.19 135.00 123.15 1cx1 n PRO 121 Ca 0.07 0.21 -0.35 0.00 -0.04 0.00 0.00 63.50 63.39 1cx1 n PRO 121 Cb 0.58 -1.79 -0.13 0.00 -0.04 0.00 0.00 33.50 32.11 1cx1 n PRO 121 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1cx1 s ASP 122 N -4.47 4.65 0.00 3.54 1.47 -1.26 -4.67 116.67 115.93 1cx1 s ASP 122 Ca 0.11 -0.26 0.00 0.00 1.18 0.00 0.00 52.55 53.57 1cx1 s ASP 122 Cb 0.13 -1.80 0.00 0.00 -0.34 0.00 0.00 42.92 40.91 1cx1 s ASP 122 CO 0.59 0.04 0.00 0.61 0.68 0.00 0.00 175.17 177.09 1cx1 n GLY 123 N 4.42 -0.05 0.00 2.12 0.00 -1.26 -4.93 105.19 105.48 1cx1 n GLY 123 Ca -0.17 0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -4.10 1.61 9.92 -1.26 -5.05 116.55 117.67 1cx1 n ASP 124 Ca 0.00 0.00 -0.36 0.00 -0.53 0.00 0.00 54.79 53.90 1cx1 n ASP 124 Cb 0.00 0.00 -0.10 0.00 -0.64 0.00 0.00 41.12 40.38 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 -0.97 3.45 1.00 2.24 0.00 -1.26 -4.89 121.76 121.33 1cx1 s ALA 125 Ca 0.00 -3.04 0.00 0.00 0.00 0.00 0.00 51.96 48.92 1cx1 s ALA 125 Cb 0.00 -2.59 0.00 0.00 0.00 0.00 0.00 23.12 20.53 1cx1 s ALA 125 CO 0.00 -2.01 0.00 -0.35 0.00 0.00 0.00 175.76 173.40 1cx1 n PRO 126 N 3.83 1.17 -1.19 0.00 -0.04 -1.26 -4.55 135.00 132.96 1cx1 n PRO 126 Ca 0.05 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.23 1cx1 n PRO 126 Cb 0.39 0.00 0.22 0.00 -0.04 0.00 0.00 33.50 34.07 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 4.99 -2.37 3.63 0.55 0.00 -1.26 -4.25 105.19 106.49 1cx1 n GLY 127 Ca 0.00 -1.55 -0.08 0.00 0.00 0.00 0.00 46.02 44.38 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 -5.39 0.42 0.03 1.61 -0.44 0.51 -4.22 119.66 112.18 1cx1 s GLN 128 Ca 0.66 0.44 0.01 0.00 -2.50 0.00 0.00 55.36 53.97 1cx1 s GLN 128 Cb -0.05 0.21 -0.02 0.00 -1.64 0.00 0.00 33.01 31.50 1cx1 s GLN 128 CO 0.50 -0.06 -0.04 0.08 0.50 0.00 0.00 175.29 176.26 1cx1 s VAL 129 N 0.03 0.27 -0.30 1.34 1.01 0.48 -0.03 120.40 123.20 1cx1 s VAL 129 Ca 0.04 -1.10 -0.07 0.00 0.00 0.00 0.00 61.98 60.85 1cx1 s VAL 129 Cb -0.04 -0.55 0.18 0.00 0.00 0.00 0.00 36.38 35.96 1cx1 s VAL 129 CO -0.07 -0.54 0.80 0.00 0.00 0.00 0.00 175.10 175.29 1cx1 s ALA 130 N -1.79 -2.70 -1.05 5.51 0.00 -0.88 -2.39 121.76 118.47 1cx1 s ALA 130 Ca -0.11 1.76 -0.14 0.00 0.00 0.00 0.00 51.96 53.48 1cx1 s ALA 130 Cb -0.07 -2.24 0.20 0.00 0.00 0.00 0.00 23.12 21.00 1cx1 s ALA 130 CO -0.02 -1.31 1.16 -0.06 0.00 0.00 0.00 175.76 175.53 1cx1 s PHE 131 N 2.86 3.65 -0.16 0.00 0.40 -0.79 -2.81 117.98 121.12 1cx1 s PHE 131 Ca 0.09 -2.07 -0.11 0.00 -0.60 0.00 0.00 56.93 54.24 1cx1 s PHE 131 Cb -0.12 -4.10 -0.05 0.00 0.51 0.00 0.00 43.02 39.26 1cx1 s PHE 131 CO -0.17 -1.23 0.19 -1.01 0.70 0.00 0.00 175.22 173.69 1cx1 s HIS 132 N 0.87 3.48 0.00 0.36 3.76 -1.19 -2.14 115.29 120.42 1cx1 s HIS 132 Ca 0.33 0.47 0.00 0.00 -0.15 0.00 0.00 55.06 55.70 1cx1 s HIS 132 Cb -0.06 -2.17 0.00 0.00 1.11 0.00 0.00 32.58 31.46 1cx1 s HIS 132 CO -0.06 0.39 0.17 1.28 -0.85 0.00 0.00 174.74 175.67 1cx1 n LEU 133 N 3.14 0.14 -4.58 0.89 4.32 -1.17 -3.09 117.00 116.65 1cx1 n LEU 133 Ca -0.16 -0.14 -0.47 0.00 -0.02 0.00 0.00 56.01 55.22 1cx1 n LEU 133 Cb 0.53 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.29 1cx1 n LEU 133 CO 0.36 0.04 0.66 0.61 -1.22 0.00 0.00 177.39 177.84 1cx1 n GLY 134 N -0.01 -0.07 3.64 -0.72 0.00 -1.25 -4.66 105.19 102.11 1cx1 n GLY 134 Ca 0.00 0.46 -0.04 0.00 0.00 0.00 0.00 46.02 46.44 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 -0.77 0.51 0.52 1.61 1.02 -1.18 -4.55 119.74 116.90 1cx1 s LYS 135 Ca 0.68 0.88 0.05 0.00 0.02 0.00 0.00 55.97 57.59 1cx1 s LYS 135 Cb -0.80 0.10 0.25 0.00 -0.52 0.00 0.00 37.83 36.86 1cx1 s LYS 135 CO 0.55 -0.11 1.04 0.00 -0.92 0.00 0.00 175.35 175.91 1cx1 h ALA 136 N 6.40 1.68 0.00 5.17 0.00 -1.74 5.02 119.26 135.79 1cx1 h ALA 136 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1cx1 h ALA 136 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1cx1 h ALA 136 CO 0.18 -0.68 -0.08 0.41 0.00 0.00 0.00 179.25 179.08 1cx1 n GLY 137 N -1.36 3.26 0.00 0.00 0.00 -1.26 -2.93 105.19 102.89 1cx1 n GLY 137 Ca -0.00 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.91 0.00 -2.00 4.61 0.00 1.64 -4.88 120.51 118.97 1cx1 n ALA 138 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1cx1 n ALA 138 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 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 0.00 0.00 -4.06 0.00 4.11 0.13 -4.71 117.16 112.63 1cx1 n TYR 139 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.90 57.76 1cx1 n TYR 139 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 39.34 39.20 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 2.50 0.30 -0.13 -3.48 2.02 -0.75 -1.02 118.70 118.15 1cx1 s GLU 140 Ca 0.00 -0.17 0.02 0.00 0.02 0.00 0.00 54.97 54.83 1cx1 s GLU 140 Cb 0.00 -0.27 -0.00 0.00 0.10 0.00 0.00 34.13 33.96 1cx1 s GLU 140 CO 0.00 0.07 -0.19 0.12 0.02 0.00 0.00 175.26 175.29 1cx1 s PHE 141 N -0.19 2.69 -0.27 1.61 5.36 -1.19 -3.08 117.98 122.92 1cx1 s PHE 141 Ca 0.00 -0.97 0.01 0.00 -0.96 0.00 0.00 56.93 55.01 1cx1 s PHE 141 Cb -0.02 -1.80 0.05 0.00 -0.34 0.00 0.00 43.02 40.91 1cx1 s PHE 141 CO -0.00 -0.40 -0.08 0.00 -1.46 0.00 0.00 175.22 173.28 1cx1 s ILE 143 N 1.16 2.20 0.00 0.00 2.07 0.14 -0.99 121.20 125.78 1cx1 s ILE 143 Ca -0.07 -1.39 0.00 0.00 -1.41 0.00 0.00 60.65 57.78 1cx1 s ILE 143 Cb -0.19 -1.87 0.00 0.00 0.13 0.00 0.00 42.46 40.53 1cx1 s ILE 143 CO -0.04 0.35 0.00 -1.54 -1.91 0.00 0.00 174.94 171.80 1cx1 n SER 144 N 1.72 1.30 -3.16 4.50 3.41 -1.10 0.11 113.62 120.39 1cx1 n SER 144 Ca -0.17 -0.12 -0.11 0.00 -0.26 0.00 0.00 58.87 58.22 1cx1 n SER 144 Cb 0.52 0.50 -0.01 0.00 -0.26 0.00 0.00 64.21 64.96 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 -0.76 2.06 -0.30 4.33 -0.21 -1.24 -0.16 119.66 123.37 1cx1 s GLN 145 Ca 0.00 -1.50 -0.17 0.00 0.02 0.00 0.00 55.36 53.70 1cx1 s GLN 145 Cb 0.00 0.56 0.19 0.00 1.00 0.00 0.00 33.01 34.76 1cx1 s GLN 145 CO 0.00 -0.92 1.22 0.54 -2.12 0.00 0.00 175.29 174.01 1cx1 s VAL 146 N -2.78 -0.08 0.36 1.09 0.11 -1.26 -2.89 120.40 114.95 1cx1 s VAL 146 Ca 0.21 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 59.10 1cx1 s VAL 146 Cb -0.03 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.86 1cx1 s VAL 146 CO 0.14 0.00 0.74 -0.94 -3.33 0.00 0.00 175.10 171.71 1cx1 s SER 147 N 1.65 0.01 0.00 3.54 1.04 -1.15 -4.11 113.70 114.68 1cx1 s SER 147 Ca -0.04 -1.06 0.00 0.00 0.48 0.00 0.00 55.95 55.34 1cx1 s SER 147 Cb -0.02 0.81 0.00 0.00 0.10 0.00 0.00 66.02 66.91 1cx1 s SER 147 CO -0.14 -1.58 0.00 0.00 0.98 0.00 0.00 173.24 172.50 1cx1 n LEU 148 N -0.51 0.00 0.00 2.42 -0.00 -1.26 -0.46 117.00 117.18 1cx1 n LEU 148 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.94 1cx1 n LEU 148 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.02 1cx1 n LEU 148 CO 0.24 0.00 0.00 1.07 -0.00 0.00 0.00 177.39 178.70 1cx1 n THR 149 N 0.00 0.00 0.00 1.47 5.66 -0.35 -4.05 114.28 117.01 1cx1 n THR 149 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1cx1 n THR 149 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 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 -0.72 0.00 -3.73 1.09 5.66 -1.26 -0.76 114.28 114.56 1cx1 n THR 150 Ca 0.00 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.72 1cx1 n THR 150 Cb 0.00 -0.53 0.01 0.00 -1.55 0.00 0.00 70.33 68.27 1cx1 n THR 150 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1cx1 n SER 151 N -2.40 -5.21 0.00 1.09 7.64 -1.26 -4.48 113.62 109.00 1cx1 n SER 151 Ca 0.00 -0.93 0.00 0.00 1.01 0.00 0.00 58.87 58.95 1cx1 n SER 151 Cb 0.41 -2.54 0.00 0.00 -1.01 0.00 0.00 64.21 61.07 1cx1 n SER 151 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1cx1 n ALA 152 N -3.38 0.00 0.49 -0.43 0.00 -1.26 -3.93 120.51 111.99 1cx1 n ALA 152 Ca -0.18 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.32 1cx1 n ALA 152 Cb 0.62 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.12 1cx1 n ALA 152 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91