#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 0.00 0.00 2.88 -1.26 -4.60 113.62 110.64 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 -4.91 117.00 121.22 1cx1 n LEU 3 Ca 0.00 0.00 0.01 0.00 -1.11 0.00 0.00 56.01 54.91 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 -0.23 -0.02 -0.67 -1.11 0.00 0.00 177.39 175.36 1cx1 n ASP 4 N -3.32 -4.91 -3.47 1.96 2.03 -1.26 -4.66 116.55 102.91 1cx1 n ASP 4 Ca 0.00 0.10 -0.33 0.00 0.52 0.00 0.00 54.79 55.08 1cx1 n ASP 4 Cb 0.00 -0.29 -0.00 0.00 -0.72 0.00 0.00 41.12 40.11 1cx1 n ASP 4 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1cx1 n SER 5 N -3.30 -2.46 -4.73 1.67 3.41 -1.26 -4.33 113.62 102.62 1cx1 n SER 5 Ca 0.00 0.63 -0.42 0.00 -0.26 0.00 0.00 58.87 58.83 1cx1 n SER 5 Cb 0.04 -0.71 -0.03 0.00 -0.26 0.00 0.00 64.21 63.25 1cx1 n SER 5 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1cx1 s GLU 6 N -0.81 4.41 -1.05 4.33 2.02 -1.26 -4.87 118.70 121.47 1cx1 s GLU 6 Ca 0.48 1.95 -0.25 0.00 0.02 0.00 0.00 54.97 57.17 1cx1 s GLU 6 Cb -0.49 -3.25 -0.16 0.00 0.10 0.00 0.00 34.13 30.32 1cx1 s GLU 6 CO 0.51 -0.25 2.10 0.08 0.02 0.00 0.00 175.26 177.72 1cx1 s VAL 7 N 0.50 3.20 -1.12 2.63 1.01 -1.26 -4.83 120.40 120.53 1cx1 s VAL 7 Ca 0.58 -0.30 -0.18 0.00 0.00 0.00 0.00 61.98 62.09 1cx1 s VAL 7 Cb -0.34 -3.99 0.12 0.00 0.00 0.00 0.00 36.38 32.17 1cx1 s VAL 7 CO 0.34 -0.37 1.41 -0.70 0.00 0.00 0.00 175.10 175.78 1cx1 s GLU 8 N 7.89 3.85 0.55 2.72 2.56 -1.26 -4.37 118.70 130.64 1cx1 s GLU 8 Ca 0.79 -1.99 0.32 0.00 0.00 0.00 0.00 54.97 54.09 1cx1 s GLU 8 Cb -0.05 -5.17 1.52 0.00 2.00 0.00 0.00 34.13 32.42 1cx1 s GLU 8 CO 0.13 -1.94 2.06 -0.07 -0.56 0.00 0.00 175.26 174.88 1cx1 h LEU 9 N 11.01 0.00 -6.72 2.70 3.38 -1.88 -3.29 115.31 120.50 1cx1 h LEU 9 Ca 0.28 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.64 1cx1 h LEU 9 Cb 0.94 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.28 1cx1 h LEU 9 CO 1.28 0.07 -0.71 -0.11 0.09 0.00 0.00 178.44 179.06 1cx1 n LEU 10 N -3.29 2.07 -2.09 1.67 -0.00 -1.26 -4.97 117.00 109.12 1cx1 n LEU 10 Ca -0.01 -5.00 0.00 0.00 -0.00 0.00 0.00 56.01 51.00 1cx1 n LEU 10 Cb 0.26 -0.33 0.00 0.00 -0.00 0.00 0.00 43.42 43.35 1cx1 n LEU 10 CO 0.28 1.84 0.02 -2.65 -0.00 0.00 0.00 177.39 176.87 1cx1 n PRO 11 N 2.00 0.00 -3.59 1.96 -0.02 -1.24 -4.43 135.00 129.68 1cx1 n PRO 11 Ca 0.24 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.43 1cx1 n PRO 11 Cb 0.40 -1.37 -0.14 0.00 -0.02 0.00 0.00 33.50 32.38 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 1.76 1.09 -0.33 6.00 2.46 -1.26 -4.98 115.29 120.03 1cx1 s HIS 12 Ca 0.00 -1.64 0.16 0.00 0.47 0.00 0.00 55.06 54.05 1cx1 s HIS 12 Cb 0.00 -1.27 0.43 0.00 -0.13 0.00 0.00 32.58 31.61 1cx1 s HIS 12 CO 0.00 -0.83 0.90 -2.37 -2.47 0.00 0.00 174.74 169.97 1cx1 n THR 13 N 4.38 0.68 -3.07 0.89 5.66 -1.26 -4.71 114.28 116.84 1cx1 n THR 13 Ca 0.04 -3.44 -0.19 0.00 -3.05 0.00 0.00 64.05 57.41 1cx1 n THR 13 Cb 0.39 0.43 -0.04 0.00 -1.55 0.00 0.00 70.33 69.56 1cx1 n THR 13 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1cx1 n SER 14 N 0.03 -0.95 -2.00 1.09 3.41 -1.25 -3.43 113.62 110.53 1cx1 n SER 14 Ca 0.13 -2.82 -0.00 0.00 -0.26 0.00 0.00 58.87 55.91 1cx1 n SER 14 Cb 0.78 0.17 -0.00 0.00 -0.26 0.00 0.00 64.21 64.89 1cx1 n SER 14 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1cx1 n PHE 15 N 1.75 0.00 0.01 7.33 3.01 -0.46 -3.56 117.46 125.54 1cx1 n PHE 15 Ca 0.19 -0.16 -0.20 0.00 1.01 0.00 0.00 57.45 58.28 1cx1 n PHE 15 Cb 0.55 -0.33 -0.14 0.00 -0.01 0.00 0.00 39.48 39.55 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 2.07 0.93 -1.37 4.37 0.00 -1.26 -3.18 120.51 122.06 1cx1 n ALA 16 Ca 0.01 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.86 1cx1 n ALA 16 Cb 0.08 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 18.83 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 -3.45 0.00 -4.07 0.00 1.02 -1.23 -4.25 120.64 108.66 1cx1 n GLU 17 Ca -0.30 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.50 1cx1 n GLU 17 Cb 1.05 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 32.40 1cx1 n GLU 17 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1cx1 s SER 18 N -0.03 5.84 0.09 1.62 0.01 -1.26 -4.85 113.70 115.11 1cx1 s SER 18 Ca 0.00 0.23 -0.31 0.00 1.31 0.00 0.00 55.95 57.18 1cx1 s SER 18 Cb 0.00 -1.73 -0.15 0.00 0.21 0.00 0.00 66.02 64.34 1cx1 s SER 18 CO 0.00 0.30 1.63 -0.07 0.41 0.00 0.00 173.24 175.52 1cx1 h LEU 19 N 4.30 -0.77 0.00 2.44 3.38 -1.92 -3.43 115.31 119.32 1cx1 h LEU 19 Ca -0.50 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1cx1 h LEU 19 Cb 1.19 0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.18 1cx1 h LEU 19 CO 0.62 -0.47 0.00 0.61 0.09 0.00 0.00 178.44 179.29 1cx1 n GLY 20 N -1.43 -1.54 0.38 0.83 0.00 -1.26 -4.52 105.19 97.65 1cx1 n GLY 20 Ca -0.11 -2.06 0.16 0.00 0.00 0.00 0.00 46.02 44.01 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 0.42 0.55 -6.96 1.61 0.11 -1.97 -3.42 132.00 122.34 1cx1 h PRO 21 Ca 0.00 -0.03 -0.53 0.00 0.11 0.00 0.00 66.00 65.55 1cx1 h PRO 21 Cb 0.00 -0.12 0.21 0.00 0.11 0.00 0.00 31.00 31.19 1cx1 h PRO 21 CO 0.00 0.37 -0.29 0.91 -0.21 0.00 0.00 178.00 178.78 1cx1 n TRP 22 N -4.60 -0.63 -4.53 0.65 7.02 -1.26 -4.84 117.44 109.26 1cx1 n TRP 22 Ca 0.20 0.29 -0.26 0.00 -1.02 0.00 0.00 57.50 56.72 1cx1 n TRP 22 Cb 0.63 -1.86 -0.08 0.00 -2.42 0.00 0.00 31.31 27.57 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 -2.23 2.86 -0.24 -0.99 0.01 0.74 -4.90 113.70 108.94 1cx1 s SER 23 Ca 0.61 -1.65 -0.30 0.00 1.31 0.00 0.00 55.95 55.91 1cx1 s SER 23 Cb -0.22 0.45 0.17 0.00 0.21 0.00 0.00 66.02 66.63 1cx1 s SER 23 CO 0.64 -0.90 1.26 -1.48 0.41 0.00 0.00 173.24 173.17 1cx1 s LEU 24 N -3.62 -0.13 0.00 2.44 2.34 -1.26 -0.51 118.68 117.95 1cx1 s LEU 24 Ca 0.24 0.12 0.00 0.00 0.06 0.00 0.00 54.13 54.55 1cx1 s LEU 24 Cb 0.03 1.31 0.00 0.00 -0.56 0.00 0.00 46.19 46.97 1cx1 s LEU 24 CO 0.14 -0.13 0.00 0.00 -1.06 0.00 0.00 176.35 175.30 1cx1 n TYR 25 N 0.48 0.00 -0.38 3.48 0.18 -1.12 -5.00 117.16 114.81 1cx1 n TYR 25 Ca -0.02 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.76 1cx1 n TYR 25 Cb 0.58 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.54 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 -0.48 1.40 0.00 -7.48 0.00 -1.26 -2.14 105.19 95.23 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 -2.00 0.00 -0.64 2.61 5.66 -1.26 -4.45 114.28 114.20 1cx1 n THR 27 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1cx1 n THR 27 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1cx1 n THR 27 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1cx1 n SER 28 N 0.00 0.00 -4.53 1.09 3.41 -1.25 -5.00 113.62 107.34 1cx1 n SER 28 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.18 1cx1 n SER 28 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1cx1 n SER 28 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1cx1 s GLU 29 N 2.24 3.35 0.33 4.33 0.41 -1.26 -4.92 118.70 123.17 1cx1 s GLU 29 Ca 0.00 -0.25 -0.27 0.00 -0.41 0.00 0.00 54.97 54.04 1cx1 s GLU 29 Cb 0.00 -3.94 -0.09 0.00 -1.78 0.00 0.00 34.13 28.32 1cx1 s GLU 29 CO 0.00 -1.02 1.03 -1.25 -0.49 0.00 0.00 175.26 173.53 1cx1 s PRO 30 N 2.96 4.47 -0.10 0.39 0.04 -1.26 -4.69 135.00 136.81 1cx1 s PRO 30 Ca 0.25 1.56 -0.04 0.00 0.04 0.00 0.00 61.00 62.82 1cx1 s PRO 30 Cb -0.13 -2.88 0.05 0.00 0.04 0.00 0.00 34.50 31.58 1cx1 s PRO 30 CO 0.20 0.13 0.19 0.08 0.04 0.00 0.00 177.00 177.64 1cx1 s VAL 31 N -1.44 -0.26 -1.17 -0.36 1.01 -1.15 -4.95 120.40 112.08 1cx1 s VAL 31 Ca 0.50 0.30 -0.20 0.00 0.00 0.00 0.00 61.98 62.58 1cx1 s VAL 31 Cb -0.25 -0.34 0.06 0.00 0.00 0.00 0.00 36.38 35.86 1cx1 s VAL 31 CO 0.32 0.12 1.60 0.72 0.00 0.00 0.00 175.10 177.86 1cx1 s PHE 32 N 2.11 2.68 0.00 5.22 -0.12 -1.26 -2.92 117.98 123.69 1cx1 s PHE 32 Ca 0.00 -1.28 0.00 0.00 -0.05 0.00 0.00 56.93 55.60 1cx1 s PHE 32 Cb -0.12 -4.72 0.00 0.00 -0.63 0.00 0.00 43.02 37.55 1cx1 s PHE 32 CO -0.07 -1.86 0.00 0.00 -0.05 0.00 0.00 175.22 173.24 1cx1 n ALA 33 N 8.55 0.00 -0.01 1.99 0.00 0.97 -4.69 120.51 127.32 1cx1 n ALA 33 Ca 0.41 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.83 1cx1 n ALA 33 Cb 0.48 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 0.22 0.00 0.00 0.00 177.50 177.72 1cx1 h ASP 34 N 0.00 -0.25 -0.54 0.00 1.82 -1.93 -3.37 116.42 112.16 1cx1 h ASP 34 Ca 0.00 0.03 -0.27 0.00 -0.39 0.00 0.00 57.03 56.40 1cx1 h ASP 34 Cb 0.00 0.10 -0.36 0.00 0.68 0.00 0.00 39.33 39.75 1cx1 h ASP 34 CO 0.00 -0.06 -1.00 0.61 -1.61 0.00 0.00 179.24 177.17 1cx1 n GLY 35 N -1.06 1.69 3.58 -0.78 0.00 -1.26 -4.72 105.19 102.64 1cx1 n GLY 35 Ca -0.01 -0.98 -0.14 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.90 0.84 -0.12 1.61 1.70 -1.24 -4.18 118.95 114.65 1cx1 s ARG 36 Ca 0.25 0.52 -0.01 0.00 -0.47 0.00 0.00 55.73 56.01 1cx1 s ARG 36 Cb 0.38 0.40 -0.02 0.00 -0.57 0.00 0.00 34.95 35.14 1cx1 s ARG 36 CO -0.03 -0.20 -0.08 1.41 -1.08 0.00 0.00 175.30 175.33 1cx1 s MET 37 N -0.49 3.31 0.14 3.89 1.75 -0.84 -0.02 119.30 127.04 1cx1 s MET 37 Ca -0.04 -0.59 0.09 0.00 -1.25 0.00 0.00 55.69 53.90 1cx1 s MET 37 Cb -0.02 -2.72 -0.04 0.00 2.84 0.00 0.00 34.83 34.88 1cx1 s MET 37 CO 0.04 0.35 -0.22 0.00 -0.65 0.00 0.00 175.02 174.54 1cx1 s VAL 39 N -1.47 0.42 -0.05 0.00 -7.23 -0.70 -2.94 120.40 108.43 1cx1 s VAL 39 Ca 0.12 -0.17 -0.30 0.00 -1.81 0.00 0.00 61.98 59.83 1cx1 s VAL 39 Cb -0.08 -0.74 -0.04 0.00 0.56 0.00 0.00 36.38 36.07 1cx1 s VAL 39 CO 0.06 0.05 1.35 -1.81 -0.31 0.00 0.00 175.10 174.44 1cx1 s ASP 40 N 1.93 6.90 -0.45 4.85 1.11 -1.26 -2.32 116.67 127.43 1cx1 s ASP 40 Ca 0.03 1.97 0.09 0.00 0.18 0.00 0.00 52.55 54.81 1cx1 s ASP 40 Cb -0.14 -2.55 0.34 0.00 1.07 0.00 0.00 42.92 41.63 1cx1 s ASP 40 CO -0.07 -0.71 0.79 0.18 1.18 0.00 0.00 175.17 176.54 1cx1 n LEU 41 N 5.75 2.13 -0.09 1.23 7.99 -0.80 -3.79 117.00 129.42 1cx1 n LEU 41 Ca 0.13 -5.23 -0.22 0.00 -0.01 0.00 0.00 56.01 50.68 1cx1 n LEU 41 Cb 0.44 0.23 -0.12 0.00 -0.11 0.00 0.00 43.42 43.87 1cx1 n LEU 41 CO 0.58 2.29 -1.12 -0.81 -1.51 0.00 0.00 177.39 176.82 1cx1 n PRO 42 N 0.20 0.65 0.00 3.23 -0.04 -1.26 -1.42 135.00 136.36 1cx1 n PRO 42 Ca 0.27 0.27 0.00 0.00 -0.04 0.00 0.00 63.50 64.00 1cx1 n PRO 42 Cb 0.55 -1.59 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 1cx1 n PRO 42 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1cx1 n GLY 43 N 1.84 0.00 2.69 0.55 0.00 -1.26 -4.70 105.19 104.31 1cx1 n GLY 43 Ca -0.42 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.54 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 0.00 -0.82 3.32 -0.02 0.00 -1.26 -4.95 105.19 101.46 1cx1 n GLY 44 Ca 0.00 0.59 -0.46 0.00 0.00 0.00 0.00 46.02 46.15 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 0.15 3.17 -1.22 1.61 -1.52 -1.26 -4.61 119.66 115.98 1cx1 s GLN 45 Ca 0.22 -1.88 -0.05 0.00 -1.95 0.00 0.00 55.36 51.70 1cx1 s GLN 45 Cb 0.28 -4.34 0.12 0.00 -0.22 0.00 0.00 33.01 28.85 1cx1 s GLN 45 CO -0.15 -1.35 2.42 0.41 -0.25 0.00 0.00 175.29 176.37 1cx1 n GLY 46 N 4.91 5.15 2.93 3.09 0.00 -1.26 0.45 105.19 120.46 1cx1 n GLY 46 Ca -0.05 -2.05 -0.10 0.00 0.00 0.00 0.00 46.02 43.82 1cx1 n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cx1 s ASN 47 N 0.33 0.15 0.00 1.61 6.03 -1.26 -4.86 114.94 116.94 1cx1 s ASN 47 Ca 0.54 -1.29 0.00 0.00 -1.03 0.00 0.00 52.86 51.09 1cx1 s ASN 47 Cb 0.21 1.09 0.00 0.00 -3.03 0.00 0.00 41.25 39.51 1cx1 s ASN 47 CO -0.11 -0.22 0.18 -2.65 -2.03 0.00 0.00 177.10 172.26 1cx1 n PRO 48 N 4.30 0.00 -1.58 3.55 -0.02 -1.11 -0.55 135.00 139.59 1cx1 n PRO 48 Ca 0.11 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.55 1cx1 n PRO 48 Cb 0.50 -1.37 0.09 0.00 -0.02 0.00 0.00 33.50 32.69 1cx1 n PRO 48 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 1cx1 n TRP 49 N -0.61 0.99 0.50 6.00 4.27 -1.26 -4.52 117.44 122.81 1cx1 n TRP 49 Ca 0.00 -1.60 0.06 0.00 -3.89 0.00 0.00 57.50 52.06 1cx1 n TRP 49 Cb 0.00 -0.25 0.03 0.00 -1.36 0.00 0.00 31.31 29.72 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 -0.58 1.66 -3.65 -0.67 9.92 0.29 -5.05 116.55 118.47 1cx1 n ASP 50 Ca 0.21 -1.33 0.02 0.00 -0.53 0.00 0.00 54.79 53.16 1cx1 n ASP 50 Cb 0.88 0.23 0.00 0.00 -0.64 0.00 0.00 41.12 41.59 1cx1 n ASP 50 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1cx1 s ALA 51 N -1.23 -2.36 0.00 2.24 0.00 -1.26 -4.38 121.76 114.77 1cx1 s ALA 51 Ca 0.12 0.62 0.00 0.00 0.00 0.00 0.00 51.96 52.69 1cx1 s ALA 51 Cb 0.10 0.45 0.00 0.00 0.00 0.00 0.00 23.12 23.66 1cx1 s ALA 51 CO 0.21 -1.08 0.00 0.41 0.00 0.00 0.00 175.76 175.31 1cx1 n GLY 52 N -0.59 1.08 2.61 0.00 0.00 -0.91 -4.29 105.19 103.09 1cx1 n GLY 52 Ca -0.06 -1.77 -0.17 0.00 0.00 0.00 0.00 46.02 44.02 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 -3.56 0.99 4.77 -1.03 -2.80 117.00 115.37 1cx1 n LEU 53 Ca 0.00 -1.27 -0.08 0.00 -0.03 0.00 0.00 56.01 54.62 1cx1 n LEU 53 Cb 0.00 -0.52 -0.02 0.00 -2.33 0.00 0.00 43.42 40.55 1cx1 n LEU 53 CO 0.00 -0.94 0.59 -0.69 -1.33 0.00 0.00 177.39 175.02 1cx1 s VAL 54 N -2.34 0.00 0.00 4.08 1.01 0.34 -2.70 120.40 120.79 1cx1 s VAL 54 Ca 0.47 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.23 1cx1 s VAL 54 Cb -0.02 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 35.08 1cx1 s VAL 54 CO 0.32 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.42 1cx1 n TYR 55 N -0.35 0.00 -3.11 5.22 9.36 -0.28 -0.18 117.16 127.81 1cx1 n TYR 55 Ca -0.10 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.12 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 1.29 -2.30 2.98 5.03 -1.26 -1.43 115.26 119.58 1cx1 n ASN 56 Ca 0.00 -0.47 -0.08 0.00 0.87 0.00 0.00 54.58 54.90 1cx1 n ASN 56 Cb 0.00 0.00 0.04 0.00 -1.02 0.00 0.00 39.78 38.80 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 -0.05 2.82 7.41 0.00 0.30 -4.89 105.19 115.77 1cx1 n GLY 57 Ca 0.00 0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 1cx1 n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cx1 s VAL 58 N -3.19 1.79 0.03 1.61 0.11 -1.23 -4.89 120.40 114.63 1cx1 s VAL 58 Ca 0.15 -2.64 -0.30 0.00 -2.93 0.00 0.00 61.98 56.26 1cx1 s VAL 58 Cb -0.02 -2.26 -0.04 0.00 -1.53 0.00 0.00 36.38 32.53 1cx1 s VAL 58 CO 0.36 -0.81 0.96 -2.16 -3.33 0.00 0.00 175.10 170.11 1cx1 s PRO 59 N 0.35 4.59 -0.14 1.54 0.04 -1.25 -4.65 135.00 135.48 1cx1 s PRO 59 Ca 0.16 1.40 -0.04 0.00 0.04 0.00 0.00 61.00 62.56 1cx1 s PRO 59 Cb -0.24 -3.43 0.06 0.00 0.04 0.00 0.00 34.50 30.93 1cx1 s PRO 59 CO -0.03 0.04 0.13 0.08 0.04 0.00 0.00 177.00 177.26 1cx1 s VAL 60 N 0.69 -0.19 -0.41 -0.36 1.01 -1.06 -4.96 120.40 115.12 1cx1 s VAL 60 Ca 0.50 0.06 -0.19 0.00 0.00 0.00 0.00 61.98 62.35 1cx1 s VAL 60 Cb -0.21 -0.46 0.02 0.00 0.00 0.00 0.00 36.38 35.72 1cx1 s VAL 60 CO 0.28 -0.09 0.56 -0.83 0.00 0.00 0.00 175.10 175.02 1cx1 s GLY 61 N 2.22 1.78 0.39 4.51 0.00 -1.26 -1.24 107.32 113.73 1cx1 s GLY 61 Ca 0.04 -1.22 -0.22 0.00 0.00 0.00 0.00 44.72 43.31 1cx1 s GLY 61 CO -0.08 1.38 0.31 -2.21 0.00 0.00 0.00 173.10 172.51 1cx1 n GLU 62 N 5.98 0.22 0.00 2.90 0.00 -0.12 -2.22 120.64 127.40 1cx1 n GLU 62 Ca -0.04 0.08 0.00 0.00 0.00 0.00 0.00 57.16 57.21 1cx1 n GLU 62 Cb 0.48 -1.20 0.00 0.00 0.00 0.00 0.00 31.44 30.72 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 2.09 2.65 4.02 8.31 0.00 0.74 -4.92 105.19 118.09 1cx1 n GLY 63 Ca 0.12 -0.48 -0.18 0.00 0.00 0.00 0.00 46.02 45.48 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 2.64 0.04 1.61 2.02 -0.94 -4.74 118.70 119.32 1cx1 s GLU 64 Ca 0.00 -1.39 0.09 0.00 0.02 0.00 0.00 54.97 53.69 1cx1 s GLU 64 Cb 0.00 -2.72 -0.03 0.00 0.10 0.00 0.00 34.13 31.49 1cx1 s GLU 64 CO 0.00 -0.49 -0.25 -1.12 0.02 0.00 0.00 175.26 173.42 1cx1 s SER 65 N -4.47 3.00 0.48 -0.19 0.01 -1.26 0.39 113.70 111.67 1cx1 s SER 65 Ca 0.58 -0.56 0.05 0.00 1.31 0.00 0.00 55.95 57.32 1cx1 s SER 65 Cb -0.08 -0.28 0.05 0.00 0.21 0.00 0.00 66.02 65.91 1cx1 s SER 65 CO 0.35 0.25 0.38 -1.22 0.41 0.00 0.00 173.24 173.41 1cx1 n TYR 66 N 1.89 -0.79 -3.68 2.43 4.02 -0.98 -4.77 117.16 115.29 1cx1 n TYR 66 Ca -0.17 -2.03 -0.10 0.00 -0.01 0.00 0.00 57.90 55.59 1cx1 n TYR 66 Cb 0.52 -0.40 -0.05 0.00 -0.02 0.00 0.00 39.34 39.39 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 -2.38 0.08 -0.15 -0.72 1.01 -0.50 -2.74 120.40 115.00 1cx1 s VAL 67 Ca 0.29 -0.68 -0.04 0.00 0.00 0.00 0.00 61.98 61.55 1cx1 s VAL 67 Cb -0.02 -1.16 0.07 0.00 0.00 0.00 0.00 36.38 35.26 1cx1 s VAL 67 CO 0.18 -0.37 0.17 -0.22 0.00 0.00 0.00 175.10 174.86 1cx1 s LEU 68 N -2.69 0.00 -0.91 3.92 2.96 -0.54 -2.96 118.68 118.46 1cx1 s LEU 68 Ca 0.02 -0.08 -0.01 0.00 -0.22 0.00 0.00 54.13 53.83 1cx1 s LEU 68 Cb 0.02 0.20 0.25 0.00 0.50 0.00 0.00 46.19 47.16 1cx1 s LEU 68 CO -0.10 -0.30 0.96 -1.54 -1.32 0.00 0.00 176.35 174.05 1cx1 n SER 69 N 5.31 4.73 -4.89 3.68 3.41 -1.05 -1.96 113.62 122.85 1cx1 n SER 69 Ca -0.05 -3.25 -0.31 0.00 -0.26 0.00 0.00 58.87 54.99 1cx1 n SER 69 Cb 0.50 -1.05 -0.05 0.00 -0.26 0.00 0.00 64.21 63.35 1cx1 n SER 69 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1cx1 s PHE 70 N -1.92 3.46 -0.09 7.33 -0.71 -1.08 -2.66 117.98 122.31 1cx1 s PHE 70 Ca 0.31 0.65 -0.13 0.00 -1.04 0.00 0.00 56.93 56.71 1cx1 s PHE 70 Cb -0.00 -2.08 -0.05 0.00 -1.21 0.00 0.00 43.02 39.68 1cx1 s PHE 70 CO -0.05 0.38 0.32 0.95 -1.34 0.00 0.00 175.22 175.48 1cx1 s THR 71 N -1.72 5.23 -0.29 -4.49 -4.23 -0.85 -0.54 115.64 108.76 1cx1 s THR 71 Ca 0.43 0.63 -0.21 0.00 -1.18 0.00 0.00 61.69 61.36 1cx1 s THR 71 Cb -0.12 -3.64 0.15 0.00 1.34 0.00 0.00 72.50 70.24 1cx1 s THR 71 CO 0.24 0.49 1.11 0.00 -0.54 0.00 0.00 174.62 175.92 1cx1 s ALA 72 N -0.31 -2.21 -0.10 3.99 0.00 -1.16 -3.35 121.76 118.63 1cx1 s ALA 72 Ca 0.19 1.97 -0.00 0.00 0.00 0.00 0.00 51.96 54.12 1cx1 s ALA 72 Cb -0.14 -1.67 0.02 0.00 0.00 0.00 0.00 23.12 21.34 1cx1 s ALA 72 CO 0.08 -0.26 -0.07 -1.54 0.00 0.00 0.00 175.76 173.97 1cx1 s SER 73 N 0.69 2.02 -0.06 0.00 1.04 -1.08 -4.46 113.70 111.85 1cx1 s SER 73 Ca -0.02 -0.26 -0.12 0.00 0.48 0.00 0.00 55.95 56.03 1cx1 s SER 73 Cb -0.04 -0.76 -0.05 0.00 0.10 0.00 0.00 66.02 65.26 1cx1 s SER 73 CO -0.11 -0.12 0.29 0.00 0.98 0.00 0.00 173.24 174.28 1cx1 s ALA 74 N 1.66 3.76 -0.14 5.32 0.00 -1.06 -2.93 121.76 128.36 1cx1 s ALA 74 Ca 0.03 -0.41 -0.01 0.00 0.00 0.00 0.00 51.96 51.58 1cx1 s ALA 74 Cb -0.13 -2.23 0.04 0.00 0.00 0.00 0.00 23.12 20.80 1cx1 s ALA 74 CO -0.07 0.49 -0.03 0.95 0.00 0.00 0.00 175.76 177.11 1cx1 s THR 75 N -0.89 0.82 0.00 0.00 -4.23 -1.11 -0.97 115.64 109.27 1cx1 s THR 75 Ca 0.20 -0.39 0.00 0.00 -1.18 0.00 0.00 61.69 60.32 1cx1 s THR 75 Cb -0.14 -1.03 0.00 0.00 1.34 0.00 0.00 72.50 72.67 1cx1 s THR 75 CO 0.09 0.14 0.00 -0.81 -0.54 0.00 0.00 174.62 173.49 1cx1 n PRO 76 N 4.98 2.86 -4.06 3.99 -0.04 -1.26 -2.49 135.00 138.98 1cx1 n PRO 76 Ca -0.10 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.13 1cx1 n PRO 76 Cb 0.48 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.89 1cx1 n PRO 76 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1cx1 s ASP 77 N -1.70 4.99 0.00 3.54 1.01 -1.25 -4.34 116.67 118.93 1cx1 s ASP 77 Ca 0.00 -0.57 0.00 0.00 0.71 0.00 0.00 52.55 52.69 1cx1 s ASP 77 Cb 0.00 -0.95 0.00 0.00 1.01 0.00 0.00 42.92 42.98 1cx1 s ASP 77 CO 0.00 -0.21 0.00 0.23 0.21 0.00 0.00 175.17 175.40 1cx1 n MET 78 N -1.17 0.00 -2.76 8.23 2.81 -0.90 -5.00 117.12 118.33 1cx1 n MET 78 Ca -0.04 0.00 -0.40 0.00 -1.81 0.00 0.00 57.70 55.44 1cx1 n MET 78 Cb 0.60 0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 33.05 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 4.78 0.47 0.03 0.04 -1.26 -2.13 135.00 134.92 1cx1 s PRO 79 Ca 0.00 1.45 0.03 0.00 0.04 0.00 0.00 61.00 62.52 1cx1 s PRO 79 Cb 0.00 -3.32 0.03 0.00 0.04 0.00 0.00 34.50 31.26 1cx1 s PRO 79 CO 0.00 0.41 0.26 1.33 0.04 0.00 0.00 177.00 179.04 1cx1 n VAL 80 N 2.00 0.00 -4.40 -0.36 0.24 -0.55 -4.84 118.33 110.42 1cx1 n VAL 80 Ca -0.01 -1.94 -0.25 0.00 -2.04 0.00 0.00 64.34 60.10 1cx1 n VAL 80 Cb 0.48 0.05 -0.11 0.00 -1.47 0.00 0.00 33.84 32.79 1cx1 n VAL 80 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1cx1 s ARG 81 N -3.86 1.47 -0.02 7.34 3.52 -0.43 -2.48 118.95 124.49 1cx1 s ARG 81 Ca 0.20 -1.53 -0.22 0.00 -0.13 0.00 0.00 55.73 54.04 1cx1 s ARG 81 Cb -0.02 -1.65 0.05 0.00 -1.56 0.00 0.00 34.95 31.77 1cx1 s ARG 81 CO 0.13 0.34 0.48 0.08 -0.81 0.00 0.00 175.30 175.52 1cx1 s VAL 82 N -1.97 0.03 -0.03 7.11 1.01 -1.18 -1.98 120.40 123.39 1cx1 s VAL 82 Ca 0.21 -0.27 -0.10 0.00 0.00 0.00 0.00 61.98 61.82 1cx1 s VAL 82 Cb -0.06 -0.83 0.01 0.00 0.00 0.00 0.00 36.38 35.50 1cx1 s VAL 82 CO 0.10 -0.15 0.22 -1.48 0.00 0.00 0.00 175.10 173.79 1cx1 s LEU 83 N -1.39 1.20 0.08 3.92 2.34 -1.02 -2.73 118.68 121.08 1cx1 s LEU 83 Ca -0.11 0.09 -0.18 0.00 0.06 0.00 0.00 54.13 53.99 1cx1 s LEU 83 Cb -0.02 0.90 0.04 0.00 -0.56 0.00 0.00 46.19 46.54 1cx1 s LEU 83 CO 0.05 -0.31 0.42 -0.69 -1.06 0.00 0.00 176.35 174.76 1cx1 s VAL 84 N -0.92 0.06 -4.02 1.48 1.01 -1.02 -2.33 120.40 114.67 1cx1 s VAL 84 Ca -0.10 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.39 1cx1 s VAL 84 Cb -0.05 -1.04 0.00 0.00 0.00 0.00 0.00 36.38 35.28 1cx1 s VAL 84 CO 0.02 -0.27 0.00 0.61 0.00 0.00 0.00 175.10 175.46 1cx1 n GLY 85 N 0.18 0.89 2.82 4.51 0.00 -0.03 -2.54 105.19 111.02 1cx1 n GLY 85 Ca -0.17 -1.96 -0.18 0.00 0.00 0.00 0.00 46.02 43.70 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 -0.14 -2.82 1.61 0.00 -1.26 -0.30 120.64 117.73 1cx1 n GLU 86 Ca 0.00 -1.87 -0.07 0.00 0.00 0.00 0.00 57.16 55.21 1cx1 n GLU 86 Cb 0.00 -0.59 0.01 0.00 0.00 0.00 0.00 31.44 30.86 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 -0.73 -0.10 0.00 -1.84 0.00 -1.26 -4.47 105.19 96.79 1cx1 n GLY 87 Ca 0.12 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 2.57 3.61 3.18 -0.02 0.00 -1.26 -5.06 105.19 108.20 1cx1 n GLY 88 Ca 0.17 -0.41 -0.26 0.00 0.00 0.00 0.00 46.02 45.52 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 0.93 0.00 -0.02 0.00 -1.26 -4.76 107.32 102.21 1cx1 s GLY 89 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 44.72 43.93 1cx1 s GLY 89 CO 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 173.10 172.48 1cx1 n ALA 90 N 2.72 0.00 -2.27 3.20 0.00 -1.26 -4.72 120.51 118.19 1cx1 n ALA 90 Ca -0.16 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 52.95 1cx1 n ALA 90 Cb 0.53 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.95 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 2.27 0.94 0.00 2.02 -1.26 -4.94 117.35 116.38 1cx1 s TYR 91 Ca 0.00 -0.34 -0.16 0.00 -0.37 0.00 0.00 57.07 56.20 1cx1 s TYR 91 Cb 0.00 -4.29 0.22 0.00 -0.40 0.00 0.00 41.96 37.49 1cx1 s TYR 91 CO 0.00 -1.44 1.10 0.54 -1.57 0.00 0.00 175.55 174.18 1cx1 n ARG 92 N 8.33 -1.75 -3.22 -0.62 3.00 -1.26 -4.05 116.66 117.08 1cx1 n ARG 92 Ca 0.46 -1.71 -0.18 0.00 -0.01 0.00 0.00 57.85 56.41 1cx1 n ARG 92 Cb 0.46 -1.29 -0.01 0.00 0.00 0.00 0.00 32.46 31.63 1cx1 n ARG 92 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 1cx1 s THR 93 N -3.27 2.92 0.00 0.55 -1.32 -1.26 -4.36 115.64 108.89 1cx1 s THR 93 Ca 0.65 -1.12 0.00 0.00 -1.21 0.00 0.00 61.69 60.01 1cx1 s THR 93 Cb -0.03 -3.01 0.00 0.00 -1.51 0.00 0.00 72.50 67.94 1cx1 s THR 93 CO 0.47 -0.01 0.00 0.00 -2.21 0.00 0.00 174.62 172.87 1cx1 n ALA 94 N -1.73 1.57 -0.67 11.08 0.00 -1.25 -4.69 120.51 124.82 1cx1 n ALA 94 Ca 0.06 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.34 1cx1 n ALA 94 Cb 0.60 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.11 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 -1.05 1.69 -2.04 0.00 -0.00 -1.05 -4.75 117.46 110.25 1cx1 n PHE 95 Ca 0.00 -1.78 -0.42 0.00 -0.00 0.00 0.00 57.45 55.25 1cx1 n PHE 95 Cb 0.00 -0.87 0.00 0.00 -0.00 0.00 0.00 39.48 38.61 1cx1 n PHE 95 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 1cx1 n GLU 96 N 0.00 3.13 -3.28 -4.13 1.02 -1.26 -2.42 120.64 113.70 1cx1 n GLU 96 Ca 0.33 -2.99 -0.18 0.00 -0.02 0.00 0.00 57.16 54.30 1cx1 n GLU 96 Cb 0.78 -3.19 0.00 0.00 -0.02 0.00 0.00 31.44 29.01 1cx1 n GLU 96 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 1cx1 s GLN 97 N 2.41 2.99 0.00 3.49 -2.07 -1.11 -5.02 119.66 120.36 1cx1 s GLN 97 Ca 0.45 -1.11 0.00 0.00 -1.82 0.00 0.00 55.36 52.88 1cx1 s GLN 97 Cb 0.11 -2.79 0.00 0.00 -1.09 0.00 0.00 33.01 29.24 1cx1 s GLN 97 CO -0.04 -0.08 0.28 0.41 -1.32 0.00 0.00 175.29 174.54 1cx1 n GLY 98 N -1.73 -1.27 3.04 2.60 0.00 -1.26 -3.11 105.19 103.47 1cx1 n GLY 98 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 1cx1 n GLY 98 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1cx1 s SER 99 N 0.00 4.89 -0.45 1.61 0.01 -1.25 -4.42 113.70 114.08 1cx1 s SER 99 Ca 0.00 -2.59 0.03 0.00 1.31 0.00 0.00 55.95 54.69 1cx1 s SER 99 Cb 0.00 -1.74 0.15 0.00 0.21 0.00 0.00 66.02 64.64 1cx1 s SER 99 CO 0.00 -0.37 0.30 0.00 0.41 0.00 0.00 173.24 173.58 1cx1 s ALA 100 N 0.31 1.85 0.22 1.44 0.00 -1.04 -4.93 121.76 119.61 1cx1 s ALA 100 Ca 0.14 -2.55 -0.32 0.00 0.00 0.00 0.00 51.96 49.23 1cx1 s ALA 100 Cb -0.22 -1.76 -0.14 0.00 0.00 0.00 0.00 23.12 21.00 1cx1 s ALA 100 CO -0.03 -2.05 1.46 -2.30 0.00 0.00 0.00 175.76 172.84 1cx1 n PRO 101 N 3.22 2.08 -3.68 0.00 -0.02 -1.26 -1.48 135.00 133.85 1cx1 n PRO 101 Ca 0.18 0.74 -0.12 0.00 -2.02 0.00 0.00 63.50 62.28 1cx1 n PRO 101 Cb 0.40 -2.44 -0.12 0.00 -0.02 0.00 0.00 33.50 31.32 1cx1 n PRO 101 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1cx1 s LEU 102 N 0.32 -0.18 0.49 2.45 1.43 -0.90 -4.91 118.68 117.37 1cx1 s LEU 102 Ca 0.71 0.72 0.04 0.00 -1.03 0.00 0.00 54.13 54.57 1cx1 s LEU 102 Cb -0.66 0.96 -0.02 0.00 0.03 0.00 0.00 46.19 46.51 1cx1 s LEU 102 CO 0.46 -0.21 0.14 0.28 0.23 0.00 0.00 176.35 177.25 1cx1 s THR 103 N 2.03 1.63 0.00 5.49 -1.32 -1.26 -2.12 115.64 120.08 1cx1 s THR 103 Ca -0.04 -1.80 0.00 0.00 -1.21 0.00 0.00 61.69 58.64 1cx1 s THR 103 Cb -0.11 -2.43 0.00 0.00 -1.51 0.00 0.00 72.50 68.45 1cx1 s THR 103 CO -0.10 0.00 0.49 0.61 -2.21 0.00 0.00 174.62 173.40 1cx1 n GLY 104 N -1.35 0.90 3.15 6.08 0.00 -0.14 -2.55 105.19 111.27 1cx1 n GLY 104 Ca -0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 1cx1 n GLY 104 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1cx1 s GLU 105 N 0.81 2.46 -0.32 1.61 2.12 -1.26 -4.95 118.70 119.17 1cx1 s GLU 105 Ca 0.00 -2.14 -0.40 0.00 0.36 0.00 0.00 54.97 52.78 1cx1 s GLU 105 Cb 0.00 -3.79 -0.16 0.00 0.26 0.00 0.00 34.13 30.45 1cx1 s GLU 105 CO 0.00 -1.16 1.81 -2.30 -0.54 0.00 0.00 175.26 173.07 1cx1 n PRO 106 N 4.17 1.00 -3.61 4.30 -0.02 -1.26 -4.81 135.00 134.77 1cx1 n PRO 106 Ca 0.02 0.35 -0.00 0.00 -2.02 0.00 0.00 63.50 61.85 1cx1 n PRO 106 Cb 0.40 -2.07 -0.01 0.00 -0.02 0.00 0.00 33.50 31.80 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 4.09 -2.20 0.15 3.55 0.00 -1.26 -5.04 121.76 121.06 1cx1 s ALA 107 Ca 1.01 1.00 -0.14 0.00 0.00 0.00 0.00 51.96 53.84 1cx1 s ALA 107 Cb -1.10 0.19 -0.07 0.00 0.00 0.00 0.00 23.12 22.14 1cx1 s ALA 107 CO 0.65 -0.91 0.54 0.95 0.00 0.00 0.00 175.76 177.00 1cx1 s THR 108 N -2.40 4.87 -0.09 0.00 -4.23 -1.26 -2.96 115.64 109.58 1cx1 s THR 108 Ca 0.13 0.78 -0.01 0.00 -1.18 0.00 0.00 61.69 61.41 1cx1 s THR 108 Cb 0.03 -3.72 -0.03 0.00 1.34 0.00 0.00 72.50 70.12 1cx1 s THR 108 CO -0.04 0.21 -0.03 -0.13 -0.54 0.00 0.00 174.62 174.09 1cx1 s ARG 109 N -2.04 2.97 -0.43 3.99 3.00 0.30 -4.87 118.95 121.86 1cx1 s ARG 109 Ca 0.39 -0.48 -0.07 0.00 0.00 0.00 0.00 55.73 55.57 1cx1 s ARG 109 Cb -0.15 -2.72 0.10 0.00 0.00 0.00 0.00 34.95 32.18 1cx1 s ARG 109 CO 0.19 0.63 0.26 -1.21 0.00 0.00 0.00 175.30 175.17 1cx1 s GLU 110 N -0.70 2.39 -0.29 3.54 2.02 -1.23 -2.64 118.70 121.79 1cx1 s GLU 110 Ca 0.11 -1.65 -0.06 0.00 0.02 0.00 0.00 54.97 53.39 1cx1 s GLU 110 Cb -0.11 -3.74 0.01 0.00 0.10 0.00 0.00 34.13 30.39 1cx1 s GLU 110 CO 0.02 -1.04 0.05 0.71 0.02 0.00 0.00 175.26 175.02 1cx1 s TYR 111 N 1.32 3.13 0.29 1.61 2.02 -0.83 -4.84 117.35 120.04 1cx1 s TYR 111 Ca 0.05 -1.07 0.06 0.00 -0.37 0.00 0.00 57.07 55.74 1cx1 s TYR 111 Cb -0.24 -2.22 -0.06 0.00 -0.40 0.00 0.00 41.96 39.05 1cx1 s TYR 111 CO -0.01 -0.60 -0.05 0.00 -1.57 0.00 0.00 175.55 173.33 1cx1 s ALA 112 N 1.47 2.38 0.31 3.71 0.00 -1.26 -1.47 121.76 126.89 1cx1 s ALA 112 Ca 0.02 -1.93 -0.07 0.00 0.00 0.00 0.00 51.96 49.98 1cx1 s ALA 112 Cb -0.17 0.23 0.03 0.00 0.00 0.00 0.00 23.12 23.20 1cx1 s ALA 112 CO 0.01 -0.09 0.53 1.97 0.00 0.00 0.00 175.76 178.18 1cx1 n PHE 113 N -0.61 -1.70 -3.54 0.00 -1.74 -1.11 -4.95 117.46 103.83 1cx1 n PHE 113 Ca -0.05 -1.75 -0.41 0.00 -0.56 0.00 0.00 57.45 54.68 1cx1 n PHE 113 Cb 0.64 0.61 -0.08 0.00 1.52 0.00 0.00 39.48 42.16 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 -2.51 4.33 -0.61 1.97 -4.23 -1.26 -2.33 115.64 110.99 1cx1 s THR 114 Ca 0.19 -1.67 -0.30 0.00 -1.18 0.00 0.00 61.69 58.73 1cx1 s THR 114 Cb -0.02 -3.80 -0.17 0.00 1.34 0.00 0.00 72.50 69.85 1cx1 s THR 114 CO 0.14 -0.73 1.97 -1.54 -0.54 0.00 0.00 174.62 173.92 1cx1 n SER 115 N 4.95 0.42 -0.04 3.99 3.41 1.27 -4.72 113.62 122.89 1cx1 n SER 115 Ca -0.09 0.34 -0.12 0.00 -0.26 0.00 0.00 58.87 58.74 1cx1 n SER 115 Cb 0.41 -0.74 -0.14 0.00 -0.26 0.00 0.00 64.21 63.48 1cx1 n SER 115 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1cx1 n ASN 116 N 7.33 1.02 -3.31 4.04 5.03 -1.26 0.26 115.26 128.37 1cx1 n ASN 116 Ca 0.49 0.23 -0.17 0.00 0.87 0.00 0.00 54.58 56.00 1cx1 n ASN 116 Cb -0.00 -0.00 -0.04 0.00 -1.02 0.00 0.00 39.78 38.72 1cx1 n ASN 116 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1cx1 n LEU 117 N -3.08 0.00 -4.23 3.41 7.99 -1.26 -4.67 117.00 115.15 1cx1 n LEU 117 Ca -0.26 -1.73 -0.35 0.00 -0.01 0.00 0.00 56.01 53.66 1cx1 n LEU 117 Cb 1.07 0.28 -0.14 0.00 -0.11 0.00 0.00 43.42 44.52 1cx1 n LEU 117 CO 0.42 -0.25 -0.37 0.42 -1.51 0.00 0.00 177.39 176.10 1cx1 s THR 118 N -2.08 3.14 -0.85 -5.08 -4.23 -1.26 -0.95 115.64 104.33 1cx1 s THR 118 Ca 0.03 -0.96 0.00 0.00 -1.18 0.00 0.00 61.69 59.58 1cx1 s THR 118 Cb 0.00 -2.61 0.21 0.00 1.34 0.00 0.00 72.50 71.45 1cx1 s THR 118 CO 0.02 0.16 0.74 0.49 -0.54 0.00 0.00 174.62 175.49 1cx1 n PHE 119 N 4.71 3.94 -2.49 3.99 3.72 -0.37 -4.95 117.46 126.01 1cx1 n PHE 119 Ca -0.16 -4.13 -0.33 0.00 -0.05 0.00 0.00 57.45 52.78 1cx1 n PHE 119 Cb 0.47 -1.00 -0.04 0.00 -0.94 0.00 0.00 39.48 37.97 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 -1.51 3.88 0.09 -1.08 0.04 -1.26 -2.57 135.00 132.59 1cx1 s PRO 120 Ca 0.28 1.14 0.01 0.00 0.04 0.00 0.00 61.00 62.47 1cx1 s PRO 120 Cb -0.05 -2.12 -0.25 0.00 0.04 0.00 0.00 34.50 32.12 1cx1 s PRO 120 CO -0.12 -0.34 1.18 -1.00 0.04 0.00 0.00 177.00 176.76 1cx1 h PRO 121 N 1.26 0.14 0.00 0.56 0.13 -1.77 -3.34 132.00 128.98 1cx1 h PRO 121 Ca -0.48 -0.25 -0.19 0.00 -0.87 0.00 0.00 66.00 64.21 1cx1 h PRO 121 Cb 1.20 0.09 -0.04 0.00 0.13 0.00 0.00 31.00 32.38 1cx1 h PRO 121 CO 0.60 1.11 -1.71 -0.25 -0.23 0.00 0.00 178.00 177.52 1cx1 n ASP 122 N -3.44 2.48 -0.46 1.44 8.00 -1.19 -1.63 116.55 121.74 1cx1 n ASP 122 Ca -0.05 -0.00 0.37 0.00 0.71 0.00 0.00 54.79 55.82 1cx1 n ASP 122 Cb 0.99 0.72 0.60 0.00 -0.02 0.00 0.00 41.12 43.41 1cx1 n ASP 122 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1cx1 n GLY 123 N 2.38 -0.74 0.00 0.44 0.00 -1.26 -4.20 105.19 101.82 1cx1 n GLY 123 Ca -0.17 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 -4.10 0.00 -4.07 1.61 9.92 -1.26 -5.08 116.55 113.57 1cx1 n ASP 124 Ca 0.35 0.00 -0.11 0.00 -0.53 0.00 0.00 54.79 54.50 1cx1 n ASP 124 Cb 1.43 0.00 -0.11 0.00 -0.64 0.00 0.00 41.12 41.80 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 -0.38 0.56 -0.89 2.24 0.00 -1.25 -5.02 121.76 117.02 1cx1 s ALA 125 Ca 0.00 -0.91 0.15 0.00 0.00 0.00 0.00 51.96 51.20 1cx1 s ALA 125 Cb 0.00 0.11 0.64 0.00 0.00 0.00 0.00 23.12 23.87 1cx1 s ALA 125 CO 0.00 -0.13 1.47 -0.35 0.00 0.00 0.00 175.76 176.75 1cx1 n PRO 126 N 1.02 0.04 0.00 0.00 -0.04 -0.65 -3.04 135.00 132.33 1cx1 n PRO 126 Ca -0.20 0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1cx1 n PRO 126 Cb 0.57 -1.58 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 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 -0.17 1.12 3.38 0.55 0.00 -1.26 0.11 105.19 108.91 1cx1 n GLY 127 Ca 0.03 -2.28 -0.07 0.00 0.00 0.00 0.00 46.02 43.70 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 -1.18 0.40 -0.10 1.61 0.74 0.58 -4.64 119.66 117.09 1cx1 s GLN 128 Ca 0.00 1.13 -0.04 0.00 0.05 0.00 0.00 55.36 56.51 1cx1 s GLN 128 Cb 0.00 0.44 0.05 0.00 1.10 0.00 0.00 33.01 34.60 1cx1 s GLN 128 CO 0.00 -0.23 0.19 0.08 -0.55 0.00 0.00 175.29 174.78 1cx1 s VAL 129 N 2.57 -0.29 -0.03 1.34 1.01 -0.51 -0.85 120.40 123.64 1cx1 s VAL 129 Ca -0.04 0.32 -0.01 0.00 0.00 0.00 0.00 61.98 62.26 1cx1 s VAL 129 Cb -0.12 -0.33 0.03 0.00 0.00 0.00 0.00 36.38 35.96 1cx1 s VAL 129 CO -0.15 0.14 0.07 0.00 0.00 0.00 0.00 175.10 175.16 1cx1 s ALA 130 N 2.25 -0.07 -0.34 5.51 0.00 -0.98 -1.13 121.76 127.01 1cx1 s ALA 130 Ca 0.02 0.41 -0.17 0.00 0.00 0.00 0.00 51.96 52.21 1cx1 s ALA 130 Cb -0.12 -0.29 -0.01 0.00 0.00 0.00 0.00 23.12 22.70 1cx1 s ALA 130 CO -0.07 -0.11 0.47 -0.06 0.00 0.00 0.00 175.76 175.99 1cx1 s PHE 131 N 0.95 3.20 -0.26 0.00 0.40 -1.10 -2.43 117.98 118.74 1cx1 s PHE 131 Ca -0.08 0.18 -0.11 0.00 -0.60 0.00 0.00 56.93 56.32 1cx1 s PHE 131 Cb -0.11 -2.84 -0.05 0.00 0.51 0.00 0.00 43.02 40.54 1cx1 s PHE 131 CO -0.04 -0.48 0.17 -1.01 0.70 0.00 0.00 175.22 174.57 1cx1 s HIS 132 N 2.29 3.27 0.00 0.36 3.76 -0.84 -2.46 115.29 121.67 1cx1 s HIS 132 Ca 0.17 0.18 0.00 0.00 -0.15 0.00 0.00 55.06 55.26 1cx1 s HIS 132 Cb -0.16 -2.32 0.00 0.00 1.11 0.00 0.00 32.58 31.22 1cx1 s HIS 132 CO 0.12 -0.03 0.33 1.47 -0.85 0.00 0.00 174.74 175.78 1cx1 n LEU 133 N 4.63 0.00 -4.70 0.89 -0.00 -1.26 -1.32 117.00 115.24 1cx1 n LEU 133 Ca -0.15 -0.20 -0.42 0.00 -0.00 0.00 0.00 56.01 55.25 1cx1 n LEU 133 Cb 0.52 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.91 1cx1 n LEU 133 CO 0.34 0.19 0.92 -0.83 -0.00 0.00 0.00 177.39 178.00 1cx1 s GLY 134 N -0.01 2.23 -0.28 1.47 0.00 -1.26 -4.73 107.32 104.73 1cx1 s GLY 134 Ca 0.00 0.67 -0.17 0.00 0.00 0.00 0.00 44.72 45.21 1cx1 s GLY 134 CO 0.00 2.13 0.88 0.54 0.00 0.00 0.00 173.10 176.65 1cx1 s LYS 135 N 1.85 0.52 0.54 2.90 1.02 -0.87 -2.76 119.74 122.94 1cx1 s LYS 135 Ca 0.56 0.85 0.35 0.00 0.02 0.00 0.00 55.97 57.75 1cx1 s LYS 135 Cb -0.25 0.12 1.52 0.00 -0.52 0.00 0.00 37.83 38.70 1cx1 s LYS 135 CO 0.24 -0.10 1.84 0.00 -0.92 0.00 0.00 175.35 176.41 1cx1 h ALA 136 N 6.16 3.00 -0.46 5.17 0.00 0.94 5.12 119.26 139.20 1cx1 h ALA 136 Ca -0.29 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1cx1 h ALA 136 Cb 1.20 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1cx1 h ALA 136 CO 0.17 -1.31 0.00 0.41 0.00 0.00 0.00 179.25 178.52 1cx1 n GLY 137 N -1.74 1.52 0.00 0.00 0.00 -1.26 -4.48 105.19 99.22 1cx1 n GLY 137 Ca 0.22 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 1.18 0.00 0.00 4.61 0.00 1.67 -5.00 120.51 122.97 1cx1 n ALA 138 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1cx1 n ALA 138 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 -2.90 0.00 0.18 -0.51 -4.74 117.16 109.19 1cx1 n TYR 139 Ca 0.00 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.37 1cx1 n TYR 139 Cb 0.00 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 38.92 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 -1.76 4.35 -0.33 -3.48 8.01 -1.04 -1.90 118.70 122.55 1cx1 s GLU 140 Ca 0.00 1.03 -0.09 0.00 0.01 0.00 0.00 54.97 55.92 1cx1 s GLU 140 Cb 0.00 -3.54 0.02 0.00 -4.31 0.00 0.00 34.13 26.30 1cx1 s GLU 140 CO 0.00 -0.22 0.14 0.12 0.01 0.00 0.00 175.26 175.31 1cx1 s PHE 141 N 1.76 3.20 -0.48 1.61 5.36 -0.98 -2.76 117.98 125.70 1cx1 s PHE 141 Ca 0.39 -0.95 -0.02 0.00 -0.96 0.00 0.00 56.93 55.39 1cx1 s PHE 141 Cb -0.17 -2.34 0.13 0.00 -0.34 0.00 0.00 43.02 40.30 1cx1 s PHE 141 CO 0.15 -0.59 0.28 0.00 -1.46 0.00 0.00 175.22 173.59 1cx1 s ILE 143 N 0.64 4.14 0.00 0.00 2.07 -0.85 -2.62 121.20 124.58 1cx1 s ILE 143 Ca 0.12 -0.50 0.00 0.00 -1.41 0.00 0.00 60.65 58.86 1cx1 s ILE 143 Cb -0.22 -2.80 0.00 0.00 0.13 0.00 0.00 42.46 39.57 1cx1 s ILE 143 CO -0.04 0.46 0.09 -1.54 -1.91 0.00 0.00 174.94 172.00 1cx1 n SER 144 N 1.69 0.18 -3.89 4.50 3.41 -1.21 -1.98 113.62 116.32 1cx1 n SER 144 Ca -0.16 -0.67 -0.09 0.00 -0.26 0.00 0.00 58.87 57.69 1cx1 n SER 144 Cb 0.53 0.11 -0.07 0.00 -0.26 0.00 0.00 64.21 64.52 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 -0.11 0.98 -0.52 4.33 -0.21 -1.26 -1.35 119.66 121.52 1cx1 s GLN 145 Ca 0.00 -1.03 0.07 0.00 0.02 0.00 0.00 55.36 54.42 1cx1 s GLN 145 Cb 0.00 0.36 0.19 0.00 1.00 0.00 0.00 33.01 34.57 1cx1 s GLN 145 CO 0.00 -0.34 0.75 0.28 -2.12 0.00 0.00 175.29 173.86 1cx1 n VAL 146 N -0.13 0.00 -2.82 1.09 0.31 -1.22 -2.00 118.33 113.56 1cx1 n VAL 146 Ca -0.12 -1.04 -0.34 0.00 -0.01 0.00 0.00 64.34 62.83 1cx1 n VAL 146 Cb 0.63 1.04 -0.07 0.00 -0.91 0.00 0.00 33.84 34.53 1cx1 n VAL 146 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1cx1 s SER 147 N 0.66 7.08 -0.23 4.52 0.01 -1.09 -4.50 113.70 120.15 1cx1 s SER 147 Ca 0.30 1.72 -0.04 0.00 1.31 0.00 0.00 55.95 59.25 1cx1 s SER 147 Cb 0.02 -2.55 0.12 0.00 0.21 0.00 0.00 66.02 63.83 1cx1 s SER 147 CO -0.07 -0.24 0.39 -0.22 0.41 0.00 0.00 173.24 173.51 1cx1 s LEU 148 N -2.74 -0.65 0.00 2.44 2.96 -1.26 -2.53 118.68 116.90 1cx1 s LEU 148 Ca 0.57 0.41 0.00 0.00 -0.22 0.00 0.00 54.13 54.89 1cx1 s LEU 148 Cb -0.13 1.19 0.00 0.00 0.50 0.00 0.00 46.19 47.75 1cx1 s LEU 148 CO 0.17 -0.28 0.00 1.07 -1.32 0.00 0.00 176.35 175.99 1cx1 n THR 149 N 5.37 0.00 0.00 3.68 5.66 -1.15 -4.16 114.28 123.68 1cx1 n THR 149 Ca -0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.95 1cx1 n THR 149 Cb 0.50 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.28 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 -0.73 1.09 5.66 -1.26 -1.41 114.28 117.63 1cx1 n THR 150 Ca 0.00 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.67 1cx1 n THR 150 Cb 0.00 -0.05 0.15 0.00 -1.55 0.00 0.00 70.33 68.88 1cx1 n THR 150 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1cx1 n SER 151 N -1.62 -2.25 -3.19 1.09 3.41 -1.26 -4.88 113.62 104.92 1cx1 n SER 151 Ca 0.00 0.10 0.01 0.00 -0.26 0.00 0.00 58.87 58.72 1cx1 n SER 151 Cb 0.00 -1.08 -0.01 0.00 -0.26 0.00 0.00 64.21 62.86 1cx1 n SER 151 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1cx1 s ALA 152 N -2.31 -2.24 -1.35 7.33 0.00 -1.26 -4.77 121.76 117.16 1cx1 s ALA 152 Ca 0.56 0.67 0.11 0.00 0.00 0.00 0.00 51.96 53.30 1cx1 s ALA 152 Cb -0.16 -2.55 0.09 0.00 0.00 0.00 0.00 23.12 20.49 1cx1 s ALA 152 CO 0.67 -1.95 0.84 2.41 0.00 0.00 0.00 175.76 177.73