#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 -4.13 0.00 3.41 -1.26 -4.95 113.62 106.70 1cx1 n SER 2 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.25 1cx1 n SER 2 Cb 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.03 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 -3.19 -3.69 1.04 7.94 -1.26 -4.20 117.00 113.63 1cx1 n LEU 3 Ca 0.00 0.06 -0.28 0.00 -1.11 0.00 0.00 56.01 54.68 1cx1 n LEU 3 Cb 0.00 -0.78 -0.15 0.00 0.53 0.00 0.00 43.42 43.03 1cx1 n LEU 3 CO 0.00 -3.69 1.79 0.47 -1.11 0.00 0.00 177.39 174.85 1cx1 n ASP 4 N 1.55 -0.30 -2.02 1.96 8.00 -1.26 -3.66 116.55 120.81 1cx1 n ASP 4 Ca -0.00 -0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.42 1cx1 n ASP 4 Cb 0.64 -0.64 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 1cx1 n ASP 4 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1cx1 n SER 5 N 7.09 -8.70 -3.81 -2.24 3.41 -1.26 -4.60 113.62 103.51 1cx1 n SER 5 Ca 0.55 1.39 -0.52 0.00 -0.26 0.00 0.00 58.87 60.03 1cx1 n SER 5 Cb 0.06 -4.98 -0.07 0.00 -0.26 0.00 0.00 64.21 58.96 1cx1 n SER 5 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1cx1 n GLU 6 N 1.43 0.00 -1.92 4.33 0.28 -1.24 -4.65 120.64 118.87 1cx1 n GLU 6 Ca 0.00 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 56.77 1cx1 n GLU 6 Cb 0.00 -1.24 -0.06 0.00 1.43 0.00 0.00 31.44 31.57 1cx1 n GLU 6 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1cx1 s VAL 7 N 1.20 3.34 -0.63 3.84 1.01 -1.26 -4.89 120.40 123.01 1cx1 s VAL 7 Ca 0.81 -0.34 -0.21 0.00 0.00 0.00 0.00 61.98 62.23 1cx1 s VAL 7 Cb -1.14 -3.85 0.08 0.00 0.00 0.00 0.00 36.38 31.47 1cx1 s VAL 7 CO 0.57 -0.70 0.88 -0.70 0.00 0.00 0.00 175.10 175.15 1cx1 s GLU 8 N 7.44 3.10 0.00 2.72 2.56 -1.26 -4.09 118.70 129.16 1cx1 s GLU 8 Ca 0.75 -0.95 0.18 0.00 0.00 0.00 0.00 54.97 54.96 1cx1 s GLU 8 Cb -0.07 -4.23 0.84 0.00 2.00 0.00 0.00 34.13 32.67 1cx1 s GLU 8 CO 0.04 -1.71 1.58 1.28 -0.56 0.00 0.00 175.26 175.89 1cx1 n LEU 9 N 7.26 0.00 -3.41 2.70 4.77 -1.26 -4.10 117.00 122.96 1cx1 n LEU 9 Ca -0.05 0.43 -0.27 0.00 -0.03 0.00 0.00 56.01 56.09 1cx1 n LEU 9 Cb 0.45 -0.43 -0.11 0.00 -2.33 0.00 0.00 43.42 41.00 1cx1 n LEU 9 CO 0.62 -0.16 -0.30 -0.22 -1.33 0.00 0.00 177.39 176.00 1cx1 s LEU 10 N -2.86 1.01 0.00 2.23 1.98 -1.26 -5.00 118.68 114.77 1cx1 s LEU 10 Ca 0.12 -2.48 -0.00 0.00 -2.89 0.00 0.00 54.13 48.88 1cx1 s LEU 10 Cb 0.12 -0.29 -0.00 0.00 0.66 0.00 0.00 46.19 46.68 1cx1 s LEU 10 CO 0.32 -0.25 0.10 -2.65 -1.89 0.00 0.00 176.35 171.98 1cx1 n PRO 11 N 3.57 0.03 -3.69 0.98 -0.02 -1.26 -4.58 135.00 130.03 1cx1 n PRO 11 Ca 0.19 -0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.51 1cx1 n PRO 11 Cb 0.42 -1.49 -0.15 0.00 -0.02 0.00 0.00 33.50 32.26 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 2.02 -0.15 -0.24 6.00 2.46 -1.26 -5.01 115.29 119.11 1cx1 s HIS 12 Ca 0.00 0.54 0.06 0.00 0.47 0.00 0.00 55.06 56.13 1cx1 s HIS 12 Cb 0.00 -0.22 0.20 0.00 -0.13 0.00 0.00 32.58 32.42 1cx1 s HIS 12 CO 0.00 -0.23 1.08 -2.37 -2.47 0.00 0.00 174.74 170.75 1cx1 n THR 13 N 4.98 0.00 -2.94 0.89 5.66 -1.26 -4.92 114.28 116.68 1cx1 n THR 13 Ca -0.11 -0.69 -0.34 0.00 -3.05 0.00 0.00 64.05 59.85 1cx1 n THR 13 Cb 0.50 0.75 -0.02 0.00 -1.55 0.00 0.00 70.33 70.01 1cx1 n THR 13 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1cx1 n SER 14 N -0.68 5.65 -0.58 1.09 7.64 -1.26 -3.67 113.62 121.82 1cx1 n SER 14 Ca -0.12 -3.60 0.00 0.00 1.01 0.00 0.00 58.87 56.16 1cx1 n SER 14 Cb 0.70 -0.90 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 1cx1 n SER 14 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1cx1 n PHE 15 N 0.28 0.00 -0.05 1.43 3.01 0.50 -3.40 117.46 119.23 1cx1 n PHE 15 Ca 0.35 -0.02 -0.03 0.00 1.01 0.00 0.00 57.45 58.76 1cx1 n PHE 15 Cb 0.34 -0.05 -0.01 0.00 -0.01 0.00 0.00 39.48 39.75 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 0.41 0.29 -1.73 4.37 0.00 -1.13 -3.57 120.51 119.14 1cx1 n ALA 16 Ca 0.00 -0.31 -0.28 0.00 0.00 0.00 0.00 53.44 52.84 1cx1 n ALA 16 Cb 0.09 0.01 0.05 0.00 0.00 0.00 0.00 19.45 19.60 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 -3.80 3.22 0.00 0.00 -0.58 -1.22 -4.05 120.64 114.21 1cx1 n GLU 17 Ca -0.05 -3.80 0.00 0.00 -0.42 0.00 0.00 57.16 52.90 1cx1 n GLU 17 Cb 0.17 -2.28 0.00 0.00 -0.57 0.00 0.00 31.44 28.76 1cx1 n GLU 17 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1cx1 n SER 18 N -0.80 0.00 0.00 1.62 7.64 -1.24 -5.08 113.62 115.76 1cx1 n SER 18 Ca 0.52 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.40 1cx1 n SER 18 Cb 0.85 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.05 1cx1 n SER 18 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1cx1 n LEU 19 N 0.00 0.58 0.00 -3.43 4.77 -1.26 -3.73 117.00 113.92 1cx1 n LEU 19 Ca 0.00 0.43 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 1cx1 n LEU 19 Cb 0.00 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 1cx1 n LEU 19 CO 0.00 -0.40 0.00 0.61 -1.33 0.00 0.00 177.39 176.27 1cx1 n GLY 20 N 1.92 0.19 0.33 -0.72 0.00 -1.26 -4.58 105.19 101.06 1cx1 n GLY 20 Ca 0.00 -2.29 0.22 0.00 0.00 0.00 0.00 46.02 43.94 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 6.38 0.00 0.00 1.61 0.11 -1.98 -3.43 132.00 134.70 1cx1 h PRO 21 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1cx1 h PRO 21 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1cx1 h PRO 21 CO 0.00 0.00 0.00 0.91 -0.21 0.00 0.00 178.00 178.70 1cx1 n TRP 22 N -3.10 -1.96 -4.03 0.65 7.02 -1.26 -4.90 117.44 109.85 1cx1 n TRP 22 Ca -0.02 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.34 1cx1 n TRP 22 Cb 0.12 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 28.96 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 -1.73 0.38 -0.20 -0.99 0.01 -0.44 -4.98 113.70 105.75 1cx1 s SER 23 Ca 0.00 -1.22 -0.29 0.00 1.31 0.00 0.00 55.95 55.75 1cx1 s SER 23 Cb 0.00 0.64 0.14 0.00 0.21 0.00 0.00 66.02 67.01 1cx1 s SER 23 CO 0.00 -1.25 1.08 -0.22 0.41 0.00 0.00 173.24 173.26 1cx1 s LEU 24 N -3.13 -0.31 0.00 2.44 2.96 -1.26 -2.94 118.68 116.44 1cx1 s LEU 24 Ca 0.26 0.39 0.00 0.00 -0.22 0.00 0.00 54.13 54.57 1cx1 s LEU 24 Cb -0.01 1.70 0.00 0.00 0.50 0.00 0.00 46.19 48.38 1cx1 s LEU 24 CO 0.14 -0.25 0.00 0.00 -1.32 0.00 0.00 176.35 174.93 1cx1 n TYR 25 N 0.95 0.00 0.00 5.38 0.18 -1.12 -5.00 117.16 117.54 1cx1 n TYR 25 Ca -0.09 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.69 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 0.00 2.80 0.00 -7.48 0.00 -1.26 -1.99 105.19 97.25 1cx1 n GLY 26 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1cx1 n GLY 26 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1cx1 n THR 27 N -1.55 0.00 -3.32 2.61 5.66 -1.26 -4.72 114.28 111.70 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 -0.01 6.91 -0.63 1.09 1.04 -1.26 -4.89 113.70 115.96 1cx1 s SER 28 Ca 0.00 1.08 -0.15 0.00 0.48 0.00 0.00 55.95 57.36 1cx1 s SER 28 Cb 0.00 -2.32 -0.16 0.00 0.10 0.00 0.00 66.02 63.64 1cx1 s SER 28 CO 0.00 0.19 1.59 -0.62 0.98 0.00 0.00 173.24 175.38 1cx1 n GLU 29 N 2.35 0.00 -0.73 4.02 -0.58 -1.26 -4.57 120.64 119.87 1cx1 n GLU 29 Ca -0.10 0.00 -0.32 0.00 -0.42 0.00 0.00 57.16 56.32 1cx1 n GLU 29 Cb 0.51 -0.84 0.15 0.00 -0.57 0.00 0.00 31.44 30.69 1cx1 n GLU 29 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 1cx1 n PRO 30 N 4.76 -0.82 -3.69 3.49 -0.02 -1.26 -4.97 135.00 132.48 1cx1 n PRO 30 Ca 0.42 -0.20 -0.11 0.00 -2.02 0.00 0.00 63.50 61.58 1cx1 n PRO 30 Cb 0.04 -1.85 -0.09 0.00 -0.02 0.00 0.00 33.50 31.57 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 -2.36 -0.01 -1.04 -1.45 1.01 -1.17 -4.98 120.40 110.40 1cx1 s VAL 31 Ca 0.58 0.04 -0.16 0.00 0.00 0.00 0.00 61.98 62.43 1cx1 s VAL 31 Cb -0.19 -0.72 0.15 0.00 0.00 0.00 0.00 36.38 35.62 1cx1 s VAL 31 CO 0.66 0.01 1.24 0.72 0.00 0.00 0.00 175.10 177.74 1cx1 s PHE 32 N 0.95 3.31 0.00 5.22 -0.12 -1.26 -2.82 117.98 123.27 1cx1 s PHE 32 Ca -0.05 -1.73 0.00 0.00 -0.05 0.00 0.00 56.93 55.09 1cx1 s PHE 32 Cb -0.06 -4.27 0.00 0.00 -0.63 0.00 0.00 43.02 38.06 1cx1 s PHE 32 CO -0.08 -1.43 0.00 0.00 -0.05 0.00 0.00 175.22 173.66 1cx1 n ALA 33 N 6.04 0.00 -1.12 1.99 0.00 0.50 -4.42 120.51 123.50 1cx1 n ALA 33 Ca 0.29 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.59 1cx1 n ALA 33 Cb 0.46 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.84 1cx1 n ALA 33 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1cx1 n ASP 34 N 0.00 -0.00 -1.79 0.00 2.03 -1.26 -2.73 116.55 112.80 1cx1 n ASP 34 Ca 0.00 -1.91 -0.16 0.00 0.52 0.00 0.00 54.79 53.24 1cx1 n ASP 34 Cb 0.00 -0.93 -0.05 0.00 -0.72 0.00 0.00 41.12 39.42 1cx1 n ASP 34 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1cx1 n GLY 35 N 5.08 0.86 2.99 0.27 0.00 -1.26 -4.93 105.19 108.20 1cx1 n GLY 35 Ca 0.25 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.12 1cx1 n GLY 35 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1cx1 s ARG 36 N -3.94 0.43 0.09 1.61 1.70 -1.10 -3.99 118.95 113.75 1cx1 s ARG 36 Ca 0.00 -0.36 0.07 0.00 -0.47 0.00 0.00 55.73 54.98 1cx1 s ARG 36 Cb 0.00 -0.35 -0.04 0.00 -0.57 0.00 0.00 34.95 34.00 1cx1 s ARG 36 CO 0.00 0.09 -0.14 0.00 -1.08 0.00 0.00 175.30 174.16 1cx1 s MET 37 N -0.57 2.03 0.19 3.89 0.23 -0.66 0.19 119.30 124.59 1cx1 s MET 37 Ca -0.02 -1.04 -0.19 0.00 -1.03 0.00 0.00 55.69 53.41 1cx1 s MET 37 Cb -0.04 -2.23 0.04 0.00 -1.53 0.00 0.00 34.83 31.07 1cx1 s MET 37 CO -0.00 0.51 0.55 0.00 -2.03 0.00 0.00 175.02 174.05 1cx1 s VAL 39 N -3.84 0.53 -0.58 0.00 -7.23 -1.05 -3.02 120.40 105.21 1cx1 s VAL 39 Ca 0.06 -1.09 -0.17 0.00 -1.81 0.00 0.00 61.98 58.97 1cx1 s VAL 39 Cb -0.01 -0.61 0.13 0.00 0.56 0.00 0.00 36.38 36.44 1cx1 s VAL 39 CO -0.06 -0.39 0.60 -1.81 -0.31 0.00 0.00 175.10 173.13 1cx1 s ASP 40 N -1.60 6.23 -0.60 4.85 1.01 -1.26 -3.11 116.67 122.19 1cx1 s ASP 40 Ca -0.10 -1.72 -0.02 0.00 0.71 0.00 0.00 52.55 51.42 1cx1 s ASP 40 Cb -0.10 -2.25 0.16 0.00 1.01 0.00 0.00 42.92 41.74 1cx1 s ASP 40 CO 0.00 -0.94 0.41 -0.76 0.21 0.00 0.00 175.17 174.09 1cx1 s LEU 41 N 1.93 5.16 0.00 1.23 1.02 -0.99 -4.27 118.68 122.77 1cx1 s LEU 41 Ca 0.07 -2.82 0.00 0.00 0.02 0.00 0.00 54.13 51.41 1cx1 s LEU 41 Cb -0.26 -1.83 0.00 0.00 0.02 0.00 0.00 46.19 44.11 1cx1 s LEU 41 CO 0.03 -0.37 0.00 -0.81 0.02 0.00 0.00 176.35 175.22 1cx1 n PRO 42 N 3.52 0.00 -3.07 1.29 -0.04 -1.26 0.11 135.00 135.55 1cx1 n PRO 42 Ca 0.07 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.57 1cx1 n PRO 42 Cb 0.38 -0.12 -0.00 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 -0.27 -1.20 0.00 0.55 0.00 -1.26 -1.98 107.32 103.16 1cx1 s GLY 43 Ca 0.00 1.38 0.00 0.00 0.00 0.00 0.00 44.72 46.10 1cx1 s GLY 43 CO 0.00 3.98 0.00 0.61 0.00 0.00 0.00 173.10 177.69 1cx1 n GLY 44 N 4.76 0.00 4.02 0.20 0.00 -1.26 -4.84 105.19 108.07 1cx1 n GLY 44 Ca 0.08 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.92 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 2.57 -0.05 1.61 -0.21 -1.26 -5.04 119.66 117.28 1cx1 s GLN 45 Ca 0.00 -1.44 -0.15 0.00 0.02 0.00 0.00 55.36 53.79 1cx1 s GLN 45 Cb 0.00 -2.71 -0.31 0.00 1.00 0.00 0.00 33.01 31.00 1cx1 s GLN 45 CO 0.00 -0.56 0.73 0.78 -2.12 0.00 0.00 175.29 174.12 1cx1 h GLY 46 N 0.41 0.42 -3.60 3.09 0.00 -1.96 -3.45 103.07 97.99 1cx1 h GLY 46 Ca -0.35 -1.07 0.09 0.00 0.00 0.00 0.00 47.33 46.01 1cx1 h GLY 46 CO 0.43 0.94 0.48 0.54 0.00 0.00 0.00 176.54 178.93 1cx1 s ASN 47 N -7.22 -0.38 0.36 0.19 2.20 -1.26 -5.03 114.94 103.79 1cx1 s ASN 47 Ca -0.15 0.11 0.18 0.00 -0.94 0.00 0.00 52.86 52.06 1cx1 s ASN 47 Cb 0.04 0.38 1.22 0.00 -2.00 0.00 0.00 41.25 40.89 1cx1 s ASN 47 CO 0.84 -0.57 1.62 -0.65 -2.94 0.00 0.00 177.10 175.40 1cx1 h PRO 48 N 2.16 0.16 -2.30 3.55 0.11 -1.94 -0.69 132.00 133.06 1cx1 h PRO 48 Ca -0.22 -0.01 -0.65 0.00 0.11 0.00 0.00 66.00 65.23 1cx1 h PRO 48 Cb 1.22 -0.04 -0.17 0.00 0.11 0.00 0.00 31.00 32.13 1cx1 h PRO 48 CO 0.31 0.11 1.39 -2.67 -0.21 0.00 0.00 178.00 176.93 1cx1 n TRP 49 N -5.13 2.23 -0.42 0.65 2.14 -1.26 -4.13 117.44 111.51 1cx1 n TRP 49 Ca 0.35 -2.41 0.00 0.00 2.07 0.00 0.00 57.50 57.51 1cx1 n TRP 49 Cb 1.14 -1.55 0.00 0.00 -0.81 0.00 0.00 31.31 30.08 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 1.08 0.70 -3.66 -0.67 8.00 -0.27 -5.09 116.55 116.63 1cx1 n ASP 50 Ca 0.55 -1.11 0.02 0.00 0.71 0.00 0.00 54.79 54.95 1cx1 n ASP 50 Cb 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.47 1cx1 n ASP 50 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cx1 s ALA 51 N -0.11 -2.26 0.00 2.24 0.00 -1.26 -4.65 121.76 115.72 1cx1 s ALA 51 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.42 1cx1 s ALA 51 Cb 0.00 0.53 0.00 0.00 0.00 0.00 0.00 23.12 23.65 1cx1 s ALA 51 CO 0.00 -1.08 0.00 0.41 0.00 0.00 0.00 175.76 175.09 1cx1 n GLY 52 N -0.61 0.74 3.74 0.00 0.00 -0.84 -4.23 105.19 103.98 1cx1 n GLY 52 Ca -0.05 -2.07 -0.22 0.00 0.00 0.00 0.00 46.02 43.68 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 3.44 0.13 0.99 0.05 -1.10 -2.79 118.68 119.41 1cx1 s LEU 53 Ca 0.00 -0.54 -0.14 0.00 0.05 0.00 0.00 54.13 53.50 1cx1 s LEU 53 Cb 0.00 -1.97 0.02 0.00 -2.05 0.00 0.00 46.19 42.20 1cx1 s LEU 53 CO 0.00 -0.12 0.37 -0.69 -0.55 0.00 0.00 176.35 175.36 1cx1 s VAL 54 N -2.29 0.08 -0.25 1.48 1.01 -1.15 -1.24 120.40 118.04 1cx1 s VAL 54 Ca 0.34 -0.78 -0.28 0.00 0.00 0.00 0.00 61.98 61.26 1cx1 s VAL 54 Cb -0.06 -1.31 0.17 0.00 0.00 0.00 0.00 36.38 35.18 1cx1 s VAL 54 CO 0.23 -0.35 1.25 -0.47 0.00 0.00 0.00 175.10 175.76 1cx1 s TYR 55 N -3.84 -0.16 0.27 5.22 5.04 -0.53 -1.33 117.35 122.01 1cx1 s TYR 55 Ca 0.05 0.31 0.08 0.00 -2.44 0.00 0.00 57.07 55.07 1cx1 s TYR 55 Cb 0.02 0.47 -0.04 0.00 0.35 0.00 0.00 41.96 42.77 1cx1 s TYR 55 CO -0.10 -0.13 0.18 -0.80 -1.34 0.00 0.00 175.55 173.36 1cx1 s ASN 56 N -0.79 5.31 0.00 4.32 0.02 -1.26 -1.88 114.94 120.66 1cx1 s ASN 56 Ca 0.05 -0.36 0.00 0.00 -1.02 0.00 0.00 52.86 51.53 1cx1 s ASN 56 Cb -0.02 -1.23 0.00 0.00 0.02 0.00 0.00 41.25 40.02 1cx1 s ASN 56 CO -0.06 -0.09 0.00 0.61 0.02 0.00 0.00 177.10 177.58 1cx1 n GLY 57 N -1.17 0.74 2.62 0.66 0.00 -1.26 -4.96 105.19 101.82 1cx1 n GLY 57 Ca -0.07 -0.66 -0.11 0.00 0.00 0.00 0.00 46.02 45.18 1cx1 n GLY 57 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1cx1 n VAL 58 N 0.00 -0.11 -2.13 1.61 0.24 -1.26 -4.85 118.33 111.82 1cx1 n VAL 58 Ca 0.00 -2.12 -0.41 0.00 -2.04 0.00 0.00 64.34 59.77 1cx1 n VAL 58 Cb 0.00 0.86 -0.03 0.00 -1.47 0.00 0.00 33.84 33.20 1cx1 n VAL 58 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1cx1 s PRO 59 N 0.04 4.35 -0.00 7.34 0.04 -1.26 -4.78 135.00 140.73 1cx1 s PRO 59 Ca 0.30 2.17 0.02 0.00 0.04 0.00 0.00 61.00 63.53 1cx1 s PRO 59 Cb 0.25 -3.12 -0.00 0.00 0.04 0.00 0.00 34.50 31.66 1cx1 s PRO 59 CO -0.16 -0.25 -0.06 0.08 0.04 0.00 0.00 177.00 176.66 1cx1 s VAL 60 N -0.47 0.45 -0.27 -0.36 1.01 -0.64 -4.97 120.40 115.14 1cx1 s VAL 60 Ca 0.54 -0.24 -0.07 0.00 0.00 0.00 0.00 61.98 62.21 1cx1 s VAL 60 Cb -0.39 -0.38 -0.01 0.00 0.00 0.00 0.00 36.38 35.61 1cx1 s VAL 60 CO 0.45 0.13 0.07 -0.83 0.00 0.00 0.00 175.10 174.92 1cx1 s GLY 61 N -0.13 1.76 -0.02 4.51 0.00 -1.26 -0.67 107.32 111.51 1cx1 s GLY 61 Ca 0.02 -1.31 -0.39 0.00 0.00 0.00 0.00 44.72 43.05 1cx1 s GLY 61 CO -0.00 0.59 1.35 -2.21 0.00 0.00 0.00 173.10 172.82 1cx1 n GLU 62 N 4.89 0.80 0.00 2.90 0.00 -0.35 -1.20 120.64 127.68 1cx1 n GLU 62 Ca -0.15 0.29 0.00 0.00 0.00 0.00 0.00 57.16 57.30 1cx1 n GLU 62 Cb 0.49 -1.90 0.00 0.00 0.00 0.00 0.00 31.44 30.04 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 2.59 1.86 4.02 8.31 0.00 0.26 -4.89 105.19 117.35 1cx1 n GLY 63 Ca 0.21 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.14 2.61 -0.07 1.61 2.02 -0.34 -4.79 118.70 119.60 1cx1 s GLU 64 Ca 0.00 -1.41 0.02 0.00 0.02 0.00 0.00 54.97 53.60 1cx1 s GLU 64 Cb 0.00 -2.71 0.01 0.00 0.10 0.00 0.00 34.13 31.53 1cx1 s GLU 64 CO 0.00 -0.52 -0.14 -1.12 0.02 0.00 0.00 175.26 173.51 1cx1 s SER 65 N -4.48 1.99 0.56 -0.19 0.01 -1.26 0.19 113.70 110.52 1cx1 s SER 65 Ca 0.58 -0.34 0.08 0.00 1.31 0.00 0.00 55.95 57.57 1cx1 s SER 65 Cb -0.08 -0.91 0.08 0.00 0.21 0.00 0.00 66.02 65.31 1cx1 s SER 65 CO 0.35 0.04 0.63 -1.22 0.41 0.00 0.00 173.24 173.45 1cx1 n TYR 66 N 3.84 -1.54 -3.59 2.43 4.02 -1.05 -4.64 117.16 116.63 1cx1 n TYR 66 Ca -0.22 -2.20 -0.15 0.00 -0.01 0.00 0.00 57.90 55.33 1cx1 n TYR 66 Cb 0.52 -0.50 -0.07 0.00 -0.02 0.00 0.00 39.34 39.27 1cx1 n TYR 66 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1cx1 s VAL 67 N -2.64 0.00 -0.15 -0.72 0.11 -0.81 -2.66 120.40 113.53 1cx1 s VAL 67 Ca 0.47 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.53 1cx1 s VAL 67 Cb -0.04 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.84 1cx1 s VAL 67 CO 0.30 0.00 -0.10 -0.22 -3.33 0.00 0.00 175.10 171.75 1cx1 s LEU 68 N -0.23 1.63 -0.57 2.54 2.96 -1.13 -2.76 118.68 121.12 1cx1 s LEU 68 Ca -0.04 -0.52 -0.06 0.00 -0.22 0.00 0.00 54.13 53.29 1cx1 s LEU 68 Cb -0.03 -1.06 0.15 0.00 0.50 0.00 0.00 46.19 45.75 1cx1 s LEU 68 CO 0.04 -0.11 0.42 -0.94 -1.32 0.00 0.00 176.35 174.44 1cx1 s SER 69 N 1.56 5.56 0.12 3.68 1.04 -0.74 -3.00 113.70 121.92 1cx1 s SER 69 Ca 0.03 -2.45 -0.09 0.00 0.48 0.00 0.00 55.95 53.93 1cx1 s SER 69 Cb -0.14 -1.94 -0.06 0.00 0.10 0.00 0.00 66.02 63.99 1cx1 s SER 69 CO -0.09 -0.51 0.43 0.72 0.98 0.00 0.00 173.24 174.77 1cx1 s PHE 70 N 0.55 3.53 -0.39 5.02 -0.71 -1.13 -2.37 117.98 122.48 1cx1 s PHE 70 Ca 0.13 0.77 -0.18 0.00 -1.04 0.00 0.00 56.93 56.61 1cx1 s PHE 70 Cb -0.21 -2.16 0.01 0.00 -1.21 0.00 0.00 43.02 39.45 1cx1 s PHE 70 CO -0.04 0.45 0.48 0.95 -1.34 0.00 0.00 175.22 175.73 1cx1 s THR 71 N -1.53 5.04 -0.06 -4.49 -4.23 -0.51 -2.79 115.64 107.06 1cx1 s THR 71 Ca 0.38 0.02 -0.29 0.00 -1.18 0.00 0.00 61.69 60.61 1cx1 s THR 71 Cb -0.13 -4.00 0.10 0.00 1.34 0.00 0.00 72.50 69.81 1cx1 s THR 71 CO 0.20 -0.33 0.86 0.00 -0.54 0.00 0.00 174.62 174.81 1cx1 s ALA 72 N 2.31 -1.83 0.08 3.99 0.00 -1.18 -3.18 121.76 121.94 1cx1 s ALA 72 Ca 0.16 1.27 0.07 0.00 0.00 0.00 0.00 51.96 53.46 1cx1 s ALA 72 Cb -0.16 -0.09 -0.03 0.00 0.00 0.00 0.00 23.12 22.84 1cx1 s ALA 72 CO 0.14 -0.47 -0.19 -1.54 0.00 0.00 0.00 175.76 173.70 1cx1 s SER 73 N -1.66 2.28 -0.18 0.00 1.04 -1.09 -3.18 113.70 110.92 1cx1 s SER 73 Ca -0.02 -0.62 -0.02 0.00 0.48 0.00 0.00 55.95 55.77 1cx1 s SER 73 Cb -0.01 -0.13 -0.01 0.00 0.10 0.00 0.00 66.02 65.97 1cx1 s SER 73 CO -0.01 0.05 -0.09 0.00 0.98 0.00 0.00 173.24 174.17 1cx1 s ALA 74 N -1.09 2.72 -0.04 5.32 0.00 1.53 -3.06 121.76 127.13 1cx1 s ALA 74 Ca 0.05 -1.03 0.02 0.00 0.00 0.00 0.00 51.96 51.00 1cx1 s ALA 74 Cb -0.10 -1.46 0.01 0.00 0.00 0.00 0.00 23.12 21.57 1cx1 s ALA 74 CO 0.03 -0.10 -0.10 0.95 0.00 0.00 0.00 175.76 176.54 1cx1 s THR 75 N 0.92 0.93 -0.23 0.00 -4.23 -1.17 0.19 115.64 112.05 1cx1 s THR 75 Ca -0.02 -0.40 0.00 0.00 -1.18 0.00 0.00 61.69 60.09 1cx1 s THR 75 Cb -0.15 -0.85 0.00 0.00 1.34 0.00 0.00 72.50 72.84 1cx1 s THR 75 CO 0.00 0.30 0.58 -2.65 -0.54 0.00 0.00 174.62 172.31 1cx1 n PRO 76 N 3.57 0.66 0.00 3.99 -0.02 -1.26 -1.20 135.00 140.74 1cx1 n PRO 76 Ca -0.21 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.27 1cx1 n PRO 76 Cb 0.53 -1.21 0.00 0.00 -0.02 0.00 0.00 33.50 32.80 1cx1 n PRO 76 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1cx1 n ASP 77 N 0.56 0.00 0.00 2.55 8.00 0.13 -4.82 116.55 122.97 1cx1 n ASP 77 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1cx1 n ASP 77 Cb 0.29 0.40 0.00 0.00 -0.02 0.00 0.00 41.12 41.79 1cx1 n ASP 77 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1cx1 n MET 78 N 0.06 -1.79 -2.90 -1.24 2.81 -1.13 -5.02 117.12 107.90 1cx1 n MET 78 Ca 0.00 0.00 -0.36 0.00 -1.81 0.00 0.00 57.70 55.53 1cx1 n MET 78 Cb 0.00 0.00 -0.06 0.00 -0.71 0.00 0.00 33.22 32.45 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 4.39 0.25 0.03 0.04 -1.26 -2.49 135.00 133.97 1cx1 s PRO 79 Ca 0.00 1.12 0.10 0.00 0.04 0.00 0.00 61.00 62.26 1cx1 s PRO 79 Cb 0.00 -2.69 -0.04 0.00 0.04 0.00 0.00 34.50 31.80 1cx1 s PRO 79 CO 0.00 0.25 -0.03 0.14 0.04 0.00 0.00 177.00 177.40 1cx1 s VAL 80 N -1.71 3.36 -0.20 -0.36 -7.23 -1.10 -4.90 120.40 108.26 1cx1 s VAL 80 Ca 0.50 -1.90 -0.04 0.00 -1.81 0.00 0.00 61.98 58.73 1cx1 s VAL 80 Cb -0.16 -2.78 -0.02 0.00 0.56 0.00 0.00 36.38 33.99 1cx1 s VAL 80 CO 0.21 -0.34 -0.02 -0.60 -0.31 0.00 0.00 175.10 174.04 1cx1 s ARG 81 N -3.54 3.52 0.04 4.82 3.00 -0.66 -2.98 118.95 123.15 1cx1 s ARG 81 Ca 0.30 -0.57 0.02 0.00 -1.00 0.00 0.00 55.73 54.48 1cx1 s ARG 81 Cb -0.07 -3.02 -0.02 0.00 0.00 0.00 0.00 34.95 31.84 1cx1 s ARG 81 CO 0.19 -0.04 -0.07 0.54 0.00 0.00 0.00 175.30 175.91 1cx1 s VAL 82 N 1.11 0.51 -0.04 7.11 0.11 -1.22 0.65 120.40 128.63 1cx1 s VAL 82 Ca 0.02 -0.99 -0.08 0.00 -2.93 0.00 0.00 61.98 58.00 1cx1 s VAL 82 Cb -0.15 -0.57 0.01 0.00 -1.53 0.00 0.00 36.38 34.15 1cx1 s VAL 82 CO 0.01 -0.34 0.19 -1.48 -3.33 0.00 0.00 175.10 170.14 1cx1 s LEU 83 N -1.44 1.31 -0.00 2.54 0.05 -1.14 -3.69 118.68 116.30 1cx1 s LEU 83 Ca -0.09 0.16 -0.18 0.00 0.05 0.00 0.00 54.13 54.07 1cx1 s LEU 83 Cb -0.09 0.74 0.03 0.00 -2.05 0.00 0.00 46.19 44.82 1cx1 s LEU 83 CO 0.00 -0.21 0.38 -0.69 -0.55 0.00 0.00 176.35 175.29 1cx1 s VAL 84 N -0.55 0.05 0.00 1.48 1.01 -0.90 -2.87 120.40 118.63 1cx1 s VAL 84 Ca -0.06 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1cx1 s VAL 84 Cb -0.04 -0.77 0.00 0.00 0.00 0.00 0.00 36.38 35.57 1cx1 s VAL 84 CO 0.01 -0.23 0.00 0.61 0.00 0.00 0.00 175.10 175.49 1cx1 n GLY 85 N 0.99 -0.51 0.00 4.51 0.00 -0.98 -2.60 105.19 106.60 1cx1 n GLY 85 Ca -0.20 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1cx1 n GLY 85 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1cx1 n GLU 86 N 0.00 1.09 -2.69 1.61 0.28 -1.26 -1.65 120.64 118.01 1cx1 n GLU 86 Ca 0.00 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 56.92 1cx1 n GLU 86 Cb 0.00 0.00 0.09 0.00 1.43 0.00 0.00 31.44 32.96 1cx1 n GLU 86 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1cx1 n GLY 87 N 5.00 1.39 0.00 -1.84 0.00 -1.25 -4.27 105.19 104.22 1cx1 n GLY 87 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.41 3.10 3.13 -0.02 0.00 -1.26 -4.70 105.19 105.04 1cx1 n GLY 88 Ca 0.01 -0.46 -0.36 0.00 0.00 0.00 0.00 46.02 45.21 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 -3.08 3.55 -0.02 0.00 -1.26 -3.60 105.19 100.79 1cx1 n GLY 89 Ca 0.00 -0.52 -0.27 0.00 0.00 0.00 0.00 46.02 45.23 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 -3.57 -2.59 0.41 4.61 0.00 -1.26 -4.64 120.51 113.46 1cx1 n ALA 90 Ca -0.00 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1cx1 n ALA 90 Cb 0.65 -1.62 0.00 0.00 0.00 0.00 0.00 19.45 18.48 1cx1 n ALA 90 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1cx1 n TYR 91 N -1.40 0.00 -1.72 0.00 4.02 -1.24 -4.76 117.16 112.06 1cx1 n TYR 91 Ca -0.17 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.30 1cx1 n TYR 91 Cb 0.66 -0.01 -0.03 0.00 -0.02 0.00 0.00 39.34 39.94 1cx1 n TYR 91 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1cx1 s ARG 92 N -1.48 4.14 0.29 -0.72 0.52 -1.26 -4.91 118.95 115.54 1cx1 s ARG 92 Ca 0.00 2.57 0.04 0.00 -0.52 0.00 0.00 55.73 57.82 1cx1 s ARG 92 Cb 0.00 -3.86 -0.06 0.00 0.52 0.00 0.00 34.95 31.55 1cx1 s ARG 92 CO 0.00 -0.89 0.02 -0.08 0.02 0.00 0.00 175.30 174.38 1cx1 s THR 93 N 3.53 1.25 -0.04 0.02 -1.32 -1.26 -4.59 115.64 113.23 1cx1 s THR 93 Ca 0.83 -2.03 0.10 0.00 -1.21 0.00 0.00 61.69 59.39 1cx1 s THR 93 Cb -0.44 -2.63 -0.16 0.00 -1.51 0.00 0.00 72.50 67.77 1cx1 s THR 93 CO 0.38 -0.13 0.18 0.00 -2.21 0.00 0.00 174.62 172.83 1cx1 n ALA 94 N -0.61 2.20 -0.71 11.08 0.00 -1.25 -4.48 120.51 126.74 1cx1 n ALA 94 Ca -0.03 -0.39 -0.17 0.00 0.00 0.00 0.00 53.44 52.84 1cx1 n ALA 94 Cb 0.65 -0.25 0.06 0.00 0.00 0.00 0.00 19.45 19.92 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 -2.04 1.75 -0.90 0.00 -0.00 -1.07 -4.60 117.46 110.60 1cx1 n PHE 95 Ca -0.07 -1.83 -0.12 0.00 -0.00 0.00 0.00 57.45 55.43 1cx1 n PHE 95 Cb 0.46 -0.90 -0.04 0.00 -0.00 0.00 0.00 39.48 39.00 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 -0.02 1.70 -3.68 -4.13 2.13 -1.26 -2.12 120.64 113.26 1cx1 n GLU 96 Ca 0.34 -1.08 -0.37 0.00 0.66 0.00 0.00 57.16 56.71 1cx1 n GLU 96 Cb 0.77 -1.60 -0.11 0.00 0.27 0.00 0.00 31.44 30.77 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 -0.57 3.86 0.00 5.31 -2.07 -1.24 -4.93 119.66 120.02 1cx1 s GLN 97 Ca 0.35 -0.37 0.10 0.00 -1.82 0.00 0.00 55.36 53.62 1cx1 s GLN 97 Cb 0.21 -3.50 0.21 0.00 -1.09 0.00 0.00 33.01 28.84 1cx1 s GLN 97 CO -0.04 -0.13 1.09 0.41 -1.32 0.00 0.00 175.29 175.30 1cx1 n GLY 98 N 4.83 1.60 3.25 2.60 0.00 -1.26 -3.37 105.19 112.85 1cx1 n GLY 98 Ca -0.15 -0.34 -0.44 0.00 0.00 0.00 0.00 46.02 45.09 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 0.51 5.75 -3.97 1.61 7.64 -1.25 -3.78 113.62 120.12 1cx1 n SER 99 Ca 0.09 -3.14 -0.31 0.00 1.01 0.00 0.00 58.87 56.53 1cx1 n SER 99 Cb 0.36 -1.36 -0.11 0.00 -1.01 0.00 0.00 64.21 62.09 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 -1.54 3.88 0.39 -0.43 0.00 -1.16 -4.94 121.76 117.97 1cx1 s ALA 100 Ca 0.32 -3.76 -0.25 0.00 0.00 0.00 0.00 51.96 48.27 1cx1 s ALA 100 Cb -0.05 -2.38 -0.11 0.00 0.00 0.00 0.00 23.12 20.57 1cx1 s ALA 100 CO -0.03 -2.11 1.00 -2.30 0.00 0.00 0.00 175.76 172.33 1cx1 n PRO 101 N 2.26 1.35 -3.93 0.00 -0.02 -1.26 -2.69 135.00 130.71 1cx1 n PRO 101 Ca 0.18 0.48 -0.09 0.00 -2.02 0.00 0.00 63.50 62.05 1cx1 n PRO 101 Cb 0.35 -1.99 -0.09 0.00 -0.02 0.00 0.00 33.50 31.74 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 -0.27 1.81 0.00 2.45 1.43 -1.04 -4.92 118.68 118.14 1cx1 s LEU 102 Ca 0.62 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 53.21 1cx1 s LEU 102 Cb -0.58 0.58 0.00 0.00 0.03 0.00 0.00 46.19 46.21 1cx1 s LEU 102 CO 0.58 -0.49 0.00 1.07 0.23 0.00 0.00 176.35 177.74 1cx1 n THR 103 N 0.87 0.00 0.90 5.49 5.66 -1.26 -2.85 114.28 123.08 1cx1 n THR 103 Ca -0.20 0.00 0.09 0.00 -3.05 0.00 0.00 64.05 60.89 1cx1 n THR 103 Cb 0.58 -0.78 -0.10 0.00 -1.55 0.00 0.00 70.33 68.48 1cx1 n THR 103 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1cx1 n GLY 104 N 5.00 -0.74 3.80 1.09 0.00 -0.82 0.44 105.19 113.95 1cx1 n GLY 104 Ca 0.00 -0.54 -0.36 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.76 3.86 -0.43 1.61 -6.30 -1.26 -4.65 118.70 108.77 1cx1 s GLU 105 Ca 0.08 -0.17 -0.40 0.00 -2.50 0.00 0.00 54.97 51.98 1cx1 s GLU 105 Cb 0.14 -3.32 -0.17 0.00 0.00 0.00 0.00 34.13 30.79 1cx1 s GLU 105 CO 0.76 0.51 1.50 -2.30 0.02 0.00 0.00 175.26 175.75 1cx1 n PRO 106 N 2.83 0.00 -3.71 4.30 -0.02 -1.26 -4.74 135.00 132.40 1cx1 n PRO 106 Ca -0.18 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.18 1cx1 n PRO 106 Cb 0.53 -1.30 -0.10 0.00 -0.02 0.00 0.00 33.50 32.62 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 3.23 -1.12 0.27 3.55 0.00 -1.19 -4.99 121.76 121.51 1cx1 s ALA 107 Ca 0.94 1.37 -0.08 0.00 0.00 0.00 0.00 51.96 54.19 1cx1 s ALA 107 Cb -1.30 -0.81 -0.06 0.00 0.00 0.00 0.00 23.12 20.96 1cx1 s ALA 107 CO 0.67 -0.23 0.57 0.95 0.00 0.00 0.00 175.76 177.72 1cx1 s THR 108 N 0.58 4.96 -0.02 0.00 -4.23 -1.26 -3.11 115.64 112.57 1cx1 s THR 108 Ca -0.03 0.30 0.04 0.00 -1.18 0.00 0.00 61.69 60.82 1cx1 s THR 108 Cb -0.05 -3.68 -0.01 0.00 1.34 0.00 0.00 72.50 70.11 1cx1 s THR 108 CO -0.04 -0.22 -0.14 -0.13 -0.54 0.00 0.00 174.62 173.56 1cx1 s ARG 109 N -3.24 1.17 -0.19 3.99 1.81 -1.12 -4.95 118.95 116.43 1cx1 s ARG 109 Ca 0.46 -0.48 0.01 0.00 -1.72 0.00 0.00 55.73 54.00 1cx1 s ARG 109 Cb -0.11 -1.11 0.03 0.00 -0.45 0.00 0.00 34.95 33.31 1cx1 s ARG 109 CO 0.26 0.27 -0.18 -1.21 -0.68 0.00 0.00 175.30 173.76 1cx1 s GLU 110 N -0.22 2.79 -0.21 3.54 8.01 -1.25 -2.85 118.70 128.51 1cx1 s GLU 110 Ca 0.03 -0.88 -0.02 0.00 0.01 0.00 0.00 54.97 54.12 1cx1 s GLU 110 Cb -0.06 -2.57 0.01 0.00 -4.31 0.00 0.00 34.13 27.20 1cx1 s GLU 110 CO -0.00 -0.27 -0.09 0.71 0.01 0.00 0.00 175.26 175.62 1cx1 s TYR 111 N 1.29 2.93 0.03 1.61 2.02 -1.16 -4.89 117.35 119.18 1cx1 s TYR 111 Ca 0.03 -1.30 0.02 0.00 -0.37 0.00 0.00 57.07 55.45 1cx1 s TYR 111 Cb -0.14 -2.04 -0.04 0.00 -0.40 0.00 0.00 41.96 39.34 1cx1 s TYR 111 CO -0.12 -0.67 0.01 0.00 -1.57 0.00 0.00 175.55 173.20 1cx1 s ALA 112 N 1.38 3.32 0.22 3.71 0.00 -1.26 -2.82 121.76 126.30 1cx1 s ALA 112 Ca 0.04 -1.00 0.05 0.00 0.00 0.00 0.00 51.96 51.05 1cx1 s ALA 112 Cb -0.14 -1.31 -0.05 0.00 0.00 0.00 0.00 23.12 21.61 1cx1 s ALA 112 CO -0.07 0.67 -0.06 -0.59 0.00 0.00 0.00 175.76 175.72 1cx1 s PHE 113 N -1.18 1.57 -0.50 0.00 -0.71 -1.09 -4.95 117.98 111.13 1cx1 s PHE 113 Ca 0.22 -0.80 -0.17 0.00 -1.04 0.00 0.00 56.93 55.15 1cx1 s PHE 113 Cb -0.12 -0.86 0.08 0.00 -1.21 0.00 0.00 43.02 40.91 1cx1 s PHE 113 CO 0.14 0.10 0.49 0.95 -1.34 0.00 0.00 175.22 175.56 1cx1 s THR 114 N -3.27 5.10 -0.65 -4.49 -4.23 -1.26 -2.53 115.64 104.31 1cx1 s THR 114 Ca 0.25 -0.93 -0.32 0.00 -1.18 0.00 0.00 61.69 59.51 1cx1 s THR 114 Cb 0.04 -4.22 -0.18 0.00 1.34 0.00 0.00 72.50 69.48 1cx1 s THR 114 CO 0.07 -0.71 2.08 -1.20 -0.54 0.00 0.00 174.62 174.32 1cx1 n SER 115 N 5.57 0.44 -1.14 3.99 7.64 0.50 -4.71 113.62 125.91 1cx1 n SER 115 Ca -0.11 0.36 0.08 0.00 1.01 0.00 0.00 58.87 60.22 1cx1 n SER 115 Cb 0.44 -0.78 0.27 0.00 -1.01 0.00 0.00 64.21 63.13 1cx1 n SER 115 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1cx1 n ASN 116 N 7.76 4.02 -3.65 6.43 2.85 -1.26 0.91 115.26 132.32 1cx1 n ASN 116 Ca 0.52 -2.47 -0.02 0.00 -0.11 0.00 0.00 54.58 52.50 1cx1 n ASN 116 Cb -0.00 -0.47 -0.00 0.00 1.24 0.00 0.00 39.78 40.54 1cx1 n ASN 116 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1cx1 s LEU 117 N -1.85 -0.11 -0.35 1.20 0.20 -1.26 -4.93 118.68 111.58 1cx1 s LEU 117 Ca 0.41 -0.39 -0.17 0.00 0.69 0.00 0.00 54.13 54.67 1cx1 s LEU 117 Cb 0.27 1.95 -0.01 0.00 -0.43 0.00 0.00 46.19 47.97 1cx1 s LEU 117 CO 0.18 -0.77 0.45 0.42 -0.29 0.00 0.00 176.35 176.34 1cx1 s THR 118 N -2.85 5.08 -0.56 3.68 -4.23 -1.26 -1.21 115.64 114.29 1cx1 s THR 118 Ca 0.15 0.19 -0.05 0.00 -1.18 0.00 0.00 61.69 60.80 1cx1 s THR 118 Cb -0.00 -3.91 0.15 0.00 1.34 0.00 0.00 72.50 70.08 1cx1 s THR 118 CO 0.01 -0.17 0.39 -0.36 -0.54 0.00 0.00 174.62 173.95 1cx1 s PHE 119 N 2.22 3.49 0.58 3.99 0.40 0.15 -4.97 117.98 123.85 1cx1 s PHE 119 Ca 0.15 -2.43 -0.13 0.00 -0.60 0.00 0.00 56.93 53.93 1cx1 s PHE 119 Cb -0.16 -3.31 -0.05 0.00 0.51 0.00 0.00 43.02 40.00 1cx1 s PHE 119 CO 0.13 -0.91 1.01 -1.25 0.70 0.00 0.00 175.22 174.89 1cx1 s PRO 120 N 0.51 3.71 0.19 0.24 0.04 -1.24 -1.62 135.00 136.83 1cx1 s PRO 120 Ca 0.13 0.80 0.11 0.00 0.04 0.00 0.00 61.00 62.08 1cx1 s PRO 120 Cb -0.21 -2.11 -0.08 0.00 0.04 0.00 0.00 34.50 32.14 1cx1 s PRO 120 CO -0.04 -0.46 1.34 -1.00 0.04 0.00 0.00 177.00 176.89 1cx1 h PRO 121 N 0.11 0.00 0.00 0.56 0.13 -1.88 -3.27 132.00 127.64 1cx1 h PRO 121 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1cx1 h PRO 121 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1cx1 h PRO 121 CO 0.62 0.74 0.00 -0.40 -0.23 0.00 0.00 178.00 178.73 1cx1 n ASP 122 N -3.28 1.00 -1.02 1.44 5.75 -1.26 -4.34 116.55 114.84 1cx1 n ASP 122 Ca 0.01 -0.35 0.13 0.00 -0.01 0.00 0.00 54.79 54.56 1cx1 n ASP 122 Cb 0.84 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.88 1cx1 n ASP 122 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cx1 n GLY 123 N 5.00 -2.50 2.02 6.12 0.00 -1.26 -3.60 105.19 110.97 1cx1 n GLY 123 Ca 0.00 -1.21 -0.03 0.00 0.00 0.00 0.00 46.02 44.78 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 -3.77 2.44 -2.71 1.61 9.92 -1.26 -3.47 116.55 119.31 1cx1 n ASP 124 Ca -0.03 -1.80 -0.07 0.00 -0.53 0.00 0.00 54.79 52.36 1cx1 n ASP 124 Cb 0.48 -0.59 0.09 0.00 -0.64 0.00 0.00 41.12 40.46 1cx1 n ASP 124 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1cx1 n ALA 125 N 2.28 -0.38 -1.00 2.24 0.00 -1.24 -4.19 120.51 118.22 1cx1 n ALA 125 Ca 0.10 -1.20 0.00 0.00 0.00 0.00 0.00 53.44 52.34 1cx1 n ALA 125 Cb 0.33 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1cx1 n ALA 125 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1cx1 n PRO 126 N -0.08 1.26 -2.77 0.00 -0.04 -1.23 -3.61 135.00 128.53 1cx1 n PRO 126 Ca -0.02 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.15 1cx1 n PRO 126 Cb 0.76 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.20 1cx1 n PRO 126 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1cx1 s GLY 127 N -0.84 1.74 -0.13 0.55 0.00 -1.26 -3.81 107.32 103.57 1cx1 s GLY 127 Ca 0.00 -0.35 -0.04 0.00 0.00 0.00 0.00 44.72 44.33 1cx1 s GLY 127 CO 0.00 -0.17 0.13 1.62 0.00 0.00 0.00 173.10 174.67 1cx1 s GLN 128 N -4.23 0.05 -0.06 2.90 2.00 -0.66 -4.38 119.66 115.29 1cx1 s GLN 128 Ca 0.49 0.23 0.01 0.00 -2.00 0.00 0.00 55.36 54.09 1cx1 s GLN 128 Cb -0.10 -1.05 0.02 0.00 0.80 0.00 0.00 33.01 32.67 1cx1 s GLN 128 CO 0.37 -0.51 -0.08 0.08 -0.50 0.00 0.00 175.29 174.66 1cx1 s VAL 129 N 2.22 0.82 -0.27 1.34 1.01 -0.79 -2.31 120.40 122.42 1cx1 s VAL 129 Ca 0.04 -0.27 -0.05 0.00 0.00 0.00 0.00 61.98 61.70 1cx1 s VAL 129 Cb -0.14 -0.80 0.15 0.00 0.00 0.00 0.00 36.38 35.58 1cx1 s VAL 129 CO -0.08 0.29 0.54 0.00 0.00 0.00 0.00 175.10 175.86 1cx1 s ALA 130 N 0.93 -1.79 -0.27 5.51 0.00 -1.14 -1.46 121.76 123.54 1cx1 s ALA 130 Ca -0.10 1.75 -0.18 0.00 0.00 0.00 0.00 51.96 53.43 1cx1 s ALA 130 Cb -0.15 -1.82 -0.02 0.00 0.00 0.00 0.00 23.12 21.13 1cx1 s ALA 130 CO 0.01 -1.10 0.53 -0.06 0.00 0.00 0.00 175.76 175.13 1cx1 s PHE 131 N 2.77 3.25 -0.20 0.00 0.40 -0.37 -2.89 117.98 120.95 1cx1 s PHE 131 Ca 0.08 0.60 -0.07 0.00 -0.60 0.00 0.00 56.93 56.94 1cx1 s PHE 131 Cb -0.14 -2.76 -0.03 0.00 0.51 0.00 0.00 43.02 40.59 1cx1 s PHE 131 CO -0.18 -0.32 0.05 -1.01 0.70 0.00 0.00 175.22 174.46 1cx1 s HIS 132 N 2.35 3.16 0.00 0.36 3.76 0.21 -2.70 115.29 122.43 1cx1 s HIS 132 Ca 0.21 -0.13 0.00 0.00 -0.15 0.00 0.00 55.06 54.99 1cx1 s HIS 132 Cb -0.16 -2.10 0.00 0.00 1.11 0.00 0.00 32.58 31.43 1cx1 s HIS 132 CO 0.10 -0.03 0.00 1.28 -0.85 0.00 0.00 174.74 175.24 1cx1 n LEU 133 N 3.93 0.78 -3.32 0.89 4.32 -1.26 -1.66 117.00 120.68 1cx1 n LEU 133 Ca -0.17 0.00 -0.45 0.00 -0.02 0.00 0.00 56.01 55.38 1cx1 n LEU 133 Cb 0.52 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.26 1cx1 n LEU 133 CO 0.34 0.13 0.53 0.61 -1.22 0.00 0.00 177.39 177.78 1cx1 n GLY 134 N 2.23 -0.11 3.64 -0.72 0.00 -1.26 -4.57 105.19 104.41 1cx1 n GLY 134 Ca 0.00 0.60 -0.04 0.00 0.00 0.00 0.00 46.02 46.58 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 0.62 0.47 0.60 1.61 1.02 -1.26 -3.84 119.74 118.96 1cx1 s LYS 135 Ca 0.69 0.79 0.03 0.00 0.02 0.00 0.00 55.97 57.50 1cx1 s LYS 135 Cb -0.97 0.10 0.15 0.00 -0.52 0.00 0.00 37.83 36.59 1cx1 s LYS 135 CO 0.47 -0.10 1.04 0.00 -0.92 0.00 0.00 175.35 175.84 1cx1 h ALA 136 N 6.16 1.85 0.00 5.17 0.00 -1.87 4.90 119.26 135.47 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 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1cx1 h ALA 136 CO 0.18 -0.85 -0.09 0.41 0.00 0.00 0.00 179.25 178.90 1cx1 n GLY 137 N -1.43 3.11 0.00 0.00 0.00 -1.25 -4.03 105.19 101.58 1cx1 n GLY 137 Ca -0.00 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.87 0.00 -3.00 4.61 0.00 1.60 -4.97 120.51 117.88 1cx1 n ALA 138 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1cx1 n ALA 138 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 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 -0.11 -0.07 -3.53 0.00 0.18 0.31 -4.78 117.16 109.15 1cx1 n TYR 139 Ca 0.00 0.00 -0.36 0.00 1.88 0.00 0.00 57.90 59.42 1cx1 n TYR 139 Cb 0.00 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 38.90 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 0.46 3.84 -0.25 -3.48 8.01 -0.34 -2.35 118.70 124.58 1cx1 s GLU 140 Ca 0.00 0.30 0.00 0.00 0.01 0.00 0.00 54.97 55.28 1cx1 s GLU 140 Cb 0.00 -3.09 0.07 0.00 -4.31 0.00 0.00 34.13 26.80 1cx1 s GLU 140 CO 0.00 0.61 -0.00 0.12 0.01 0.00 0.00 175.26 176.00 1cx1 s PHE 141 N -1.26 2.11 -0.41 1.61 5.36 -1.18 -3.03 117.98 121.18 1cx1 s PHE 141 Ca 0.29 -1.67 -0.06 0.00 -0.96 0.00 0.00 56.93 54.54 1cx1 s PHE 141 Cb -0.15 -1.59 0.09 0.00 -0.34 0.00 0.00 43.02 41.03 1cx1 s PHE 141 CO 0.16 -0.77 0.22 0.00 -1.46 0.00 0.00 175.22 173.36 1cx1 s ILE 143 N 1.28 2.05 0.00 0.00 -1.16 0.56 -2.67 121.20 121.26 1cx1 s ILE 143 Ca 0.04 -1.35 0.00 0.00 -0.51 0.00 0.00 60.65 58.83 1cx1 s ILE 143 Cb -0.23 -1.76 0.00 0.00 0.61 0.00 0.00 42.46 41.08 1cx1 s ILE 143 CO -0.01 0.34 0.06 -1.54 -2.81 0.00 0.00 174.94 170.97 1cx1 n SER 144 N 1.79 0.12 -3.47 4.50 3.41 -1.19 -1.65 113.62 117.12 1cx1 n SER 144 Ca -0.17 -0.52 -0.03 0.00 -0.26 0.00 0.00 58.87 57.89 1cx1 n SER 144 Cb 0.52 0.79 0.01 0.00 -0.26 0.00 0.00 64.21 65.27 1cx1 n SER 144 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1cx1 s GLN 145 N -0.79 1.18 -0.09 4.33 -2.07 -1.26 -0.37 119.66 120.59 1cx1 s GLN 145 Ca 0.00 -0.74 -0.31 0.00 -1.82 0.00 0.00 55.36 52.49 1cx1 s GLN 145 Cb 0.00 0.35 0.12 0.00 -1.09 0.00 0.00 33.01 32.38 1cx1 s GLN 145 CO 0.00 -0.55 1.02 0.54 -1.32 0.00 0.00 175.29 174.98 1cx1 s VAL 146 N -2.38 0.00 0.08 3.63 0.11 -1.24 -1.42 120.40 119.18 1cx1 s VAL 146 Ca 0.20 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 59.14 1cx1 s VAL 146 Cb -0.02 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.84 1cx1 s VAL 146 CO 0.04 0.00 0.25 -0.94 -3.33 0.00 0.00 175.10 171.12 1cx1 s SER 147 N -2.25 0.00 0.04 3.54 1.04 -1.00 -4.62 113.70 110.46 1cx1 s SER 147 Ca 0.06 -0.48 -0.05 0.00 0.48 0.00 0.00 55.95 55.96 1cx1 s SER 147 Cb -0.01 0.36 -0.01 0.00 0.10 0.00 0.00 66.02 66.46 1cx1 s SER 147 CO -0.07 -0.71 0.09 -1.48 0.98 0.00 0.00 173.24 172.05 1cx1 s LEU 148 N -2.63 1.82 0.00 2.42 0.05 -1.26 -1.80 118.68 117.28 1cx1 s LEU 148 Ca 0.02 -0.56 0.00 0.00 0.05 0.00 0.00 54.13 53.64 1cx1 s LEU 148 Cb 0.03 0.60 0.00 0.00 -2.05 0.00 0.00 46.19 44.77 1cx1 s LEU 148 CO -0.09 -0.52 0.00 1.07 -0.55 0.00 0.00 176.35 176.26 1cx1 n THR 149 N 0.71 0.00 0.00 5.48 5.66 -1.11 -4.26 114.28 120.76 1cx1 n THR 149 Ca -0.19 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.81 1cx1 n THR 149 Cb 0.59 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.37 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 4.60 0.00 0.00 1.09 5.66 -1.26 -1.92 114.28 122.45 1cx1 n THR 150 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1cx1 n THR 150 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1cx1 n THR 150 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1cx1 n SER 151 N 0.00 0.00 -4.49 1.09 2.88 -1.26 -4.91 113.62 106.92 1cx1 n SER 151 Ca 0.00 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.12 1cx1 n SER 151 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1cx1 n SER 151 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1cx1 s ALA 152 N -2.00 3.02 0.00 -1.46 0.00 -1.26 -4.82 121.76 115.24 1cx1 s ALA 152 Ca 0.00 -2.08 0.00 0.00 0.00 0.00 0.00 51.96 49.88 1cx1 s ALA 152 Cb 0.00 -4.13 0.00 0.00 0.00 0.00 0.00 23.12 18.99 1cx1 s ALA 152 CO 0.00 -3.11 0.39 2.41 0.00 0.00 0.00 175.76 175.45