#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 -0.11 -2.43 0.00 2.88 -1.26 -3.88 113.62 108.81 1cx1 n SER 2 Ca 0.00 -2.69 -0.09 0.00 -1.33 0.00 0.00 58.87 54.76 1cx1 n SER 2 Cb 0.00 -0.47 -0.02 0.00 -0.75 0.00 0.00 64.21 62.96 1cx1 n SER 2 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1cx1 n LEU 3 N 1.61 0.00 0.00 2.46 7.99 -1.14 -4.98 117.00 122.94 1cx1 n LEU 3 Ca 0.21 -1.10 0.00 0.00 -0.01 0.00 0.00 56.01 55.11 1cx1 n LEU 3 Cb 0.53 0.32 0.00 0.00 -0.11 0.00 0.00 43.42 44.16 1cx1 n LEU 3 CO 0.16 -0.17 0.00 -0.90 -1.51 0.00 0.00 177.39 174.97 1cx1 n ASP 4 N -1.72 0.00 -0.66 -1.43 5.68 -1.26 -4.03 116.55 113.13 1cx1 n ASP 4 Ca -0.03 0.00 0.01 0.00 -0.50 0.00 0.00 54.79 54.27 1cx1 n ASP 4 Cb 0.22 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.19 1cx1 n ASP 4 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1cx1 n SER 5 N 0.00 -3.98 -3.40 -1.12 2.88 -1.26 -4.78 113.62 101.96 1cx1 n SER 5 Ca 0.00 0.11 -0.15 0.00 -1.33 0.00 0.00 58.87 57.50 1cx1 n SER 5 Cb 0.00 -0.33 -0.10 0.00 -0.75 0.00 0.00 64.21 63.03 1cx1 n SER 5 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1cx1 s GLU 6 N -0.20 0.31 -0.78 -1.46 2.02 -1.26 -4.85 118.70 112.48 1cx1 s GLU 6 Ca 0.00 0.06 -0.26 0.00 0.02 0.00 0.00 54.97 54.79 1cx1 s GLU 6 Cb 0.00 -0.71 0.02 0.00 0.10 0.00 0.00 34.13 33.54 1cx1 s GLU 6 CO 0.00 -0.89 1.49 0.08 0.02 0.00 0.00 175.26 175.96 1cx1 s VAL 7 N 2.40 3.66 -1.19 2.63 1.01 -1.26 -4.91 120.40 122.74 1cx1 s VAL 7 Ca 0.09 0.07 -0.17 0.00 0.00 0.00 0.00 61.98 61.98 1cx1 s VAL 7 Cb -0.14 -4.66 0.12 0.00 0.00 0.00 0.00 36.38 31.69 1cx1 s VAL 7 CO -0.26 -1.60 1.50 -0.70 0.00 0.00 0.00 175.10 174.05 1cx1 s GLU 8 N 5.97 3.95 0.65 2.72 2.56 -1.26 -3.92 118.70 129.37 1cx1 s GLU 8 Ca 0.47 -2.16 0.10 0.00 0.00 0.00 0.00 54.97 53.38 1cx1 s GLU 8 Cb -0.07 -5.23 0.53 0.00 2.00 0.00 0.00 34.13 31.35 1cx1 s GLU 8 CO 0.10 -1.97 1.29 -0.07 -0.56 0.00 0.00 175.26 174.04 1cx1 h LEU 9 N 11.03 0.00 -7.14 2.70 3.38 -1.89 -2.65 115.31 120.75 1cx1 h LEU 9 Ca 0.33 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.68 1cx1 h LEU 9 Cb 0.90 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.24 1cx1 h LEU 9 CO 1.32 0.00 -0.62 -0.22 0.09 0.00 0.00 178.44 179.01 1cx1 s LEU 10 N -5.17 4.34 0.00 1.67 1.98 -1.26 -4.94 118.68 115.30 1cx1 s LEU 10 Ca -0.01 -3.45 0.00 0.00 -2.89 0.00 0.00 54.13 47.78 1cx1 s LEU 10 Cb 0.03 -1.54 0.00 0.00 0.66 0.00 0.00 46.19 45.34 1cx1 s LEU 10 CO 0.09 -0.15 0.00 -2.65 -1.89 0.00 0.00 176.35 171.75 1cx1 n PRO 11 N 2.50 0.00 -3.97 0.98 -0.02 -1.00 -4.38 135.00 129.12 1cx1 n PRO 11 Ca 0.14 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.31 1cx1 n PRO 11 Cb 0.35 -1.03 -0.14 0.00 -0.02 0.00 0.00 33.50 32.65 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 -0.88 3.70 -0.36 6.00 2.46 -1.26 -4.95 115.29 120.00 1cx1 s HIS 12 Ca 0.00 -2.91 0.14 0.00 0.47 0.00 0.00 55.06 52.76 1cx1 s HIS 12 Cb 0.00 -2.98 0.39 0.00 -0.13 0.00 0.00 32.58 29.86 1cx1 s HIS 12 CO 0.00 -0.94 0.82 -2.37 -2.47 0.00 0.00 174.74 169.78 1cx1 n THR 13 N 4.24 0.38 -3.13 0.89 5.66 -1.26 -4.65 114.28 116.40 1cx1 n THR 13 Ca 0.03 -4.06 -0.18 0.00 -3.05 0.00 0.00 64.05 56.79 1cx1 n THR 13 Cb 0.41 0.03 -0.02 0.00 -1.55 0.00 0.00 70.33 69.20 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 0.13 0.33 -1.32 1.09 7.64 -1.26 -4.34 113.62 115.89 1cx1 n SER 14 Ca 0.20 -3.05 0.00 0.00 1.01 0.00 0.00 58.87 57.03 1cx1 n SER 14 Cb 0.71 -0.31 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 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 0.46 0.00 -0.00 1.43 3.01 0.57 -3.30 117.46 119.63 1cx1 n PHE 15 Ca 0.22 -0.21 -0.15 0.00 1.01 0.00 0.00 57.45 58.32 1cx1 n PHE 15 Cb 0.65 -0.21 -0.14 0.00 -0.01 0.00 0.00 39.48 39.76 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 1.22 1.17 -1.45 4.37 0.00 -1.20 -3.89 120.51 120.73 1cx1 n ALA 16 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.78 1cx1 n ALA 16 Cb 0.15 -0.77 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 -3.28 0.00 -3.58 0.00 -0.58 -1.21 -4.25 120.64 107.75 1cx1 n GLU 17 Ca -0.24 0.00 -0.35 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 -1.54 -0.48 0.00 0.00 177.13 175.11 1cx1 s SER 18 N -0.00 6.66 0.11 1.62 1.04 -1.26 -4.80 113.70 117.07 1cx1 s SER 18 Ca 0.00 0.80 -0.26 0.00 0.48 0.00 0.00 55.95 56.97 1cx1 s SER 18 Cb 0.00 -2.18 -0.08 0.00 0.10 0.00 0.00 66.02 63.86 1cx1 s SER 18 CO 0.00 0.21 1.65 0.25 0.98 0.00 0.00 173.24 176.33 1cx1 h LEU 19 N 3.94 -0.62 0.00 2.42 7.12 -1.90 -3.42 115.31 122.86 1cx1 h LEU 19 Ca -0.50 0.08 0.00 0.00 0.13 0.00 0.00 57.88 57.59 1cx1 h LEU 19 Cb 1.20 0.24 0.00 0.00 -0.53 0.00 0.00 40.66 41.57 1cx1 h LEU 19 CO 0.65 -0.30 0.00 0.61 -0.13 0.00 0.00 178.44 179.28 1cx1 n GLY 20 N -1.34 -0.48 0.00 3.75 0.00 -1.26 -4.59 105.19 101.26 1cx1 n GLY 20 Ca -0.06 -2.19 0.12 0.00 0.00 0.00 0.00 46.02 43.89 1cx1 n GLY 20 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1cx1 n PRO 21 N 0.00 0.45 -0.61 1.61 -0.04 -1.26 -4.84 135.00 130.31 1cx1 n PRO 21 Ca 0.00 0.04 -0.23 0.00 -0.04 0.00 0.00 63.50 63.27 1cx1 n PRO 21 Cb 0.00 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.17 1cx1 n PRO 21 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1cx1 n TRP 22 N -1.23 -3.60 -4.30 0.54 7.02 -1.26 -4.88 117.44 109.72 1cx1 n TRP 22 Ca 0.13 -0.73 -0.16 0.00 -1.02 0.00 0.00 57.50 55.73 1cx1 n TRP 22 Cb 0.17 -0.91 -0.10 0.00 -2.42 0.00 0.00 31.31 28.05 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 -3.50 1.38 0.00 -0.99 0.01 -0.66 -4.95 113.70 104.99 1cx1 s SER 23 Ca 0.54 -1.28 0.00 0.00 1.31 0.00 0.00 55.95 56.52 1cx1 s SER 23 Cb -0.07 0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.27 1cx1 s SER 23 CO 0.43 -0.63 0.00 0.00 0.41 0.00 0.00 173.24 173.45 1cx1 n LEU 24 N -0.39 0.00 -3.75 2.44 -0.00 -1.26 -0.77 117.00 113.27 1cx1 n LEU 24 Ca -0.03 0.00 0.04 0.00 -0.00 0.00 0.00 56.01 56.02 1cx1 n LEU 24 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.07 1cx1 n LEU 24 CO 0.36 0.00 1.18 -0.72 -0.00 0.00 0.00 177.39 178.21 1cx1 s TYR 25 N -1.28 -0.00 0.00 1.47 1.13 -1.15 -5.01 117.35 112.51 1cx1 s TYR 25 Ca 0.00 -0.03 0.00 0.00 -1.41 0.00 0.00 57.07 55.63 1cx1 s TYR 25 Cb 0.00 0.52 0.00 0.00 -1.10 0.00 0.00 41.96 41.38 1cx1 s TYR 25 CO 0.00 -0.08 0.00 0.41 -2.51 0.00 0.00 175.55 173.37 1cx1 n GLY 26 N -0.68 2.78 0.00 5.49 0.00 -1.26 -2.22 105.19 109.31 1cx1 n GLY 26 Ca -0.04 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1cx1 n GLY 26 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1cx1 n THR 27 N 0.00 0.00 -3.32 2.61 5.66 -1.26 -4.80 114.28 113.18 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 6.77 -0.57 1.09 1.04 -1.25 -4.93 113.70 115.83 1cx1 s SER 28 Ca 0.00 0.92 -0.35 0.00 0.48 0.00 0.00 55.95 57.00 1cx1 s SER 28 Cb 0.00 -2.30 -0.17 0.00 0.10 0.00 0.00 66.02 63.65 1cx1 s SER 28 CO 0.00 0.07 2.01 -1.84 0.98 0.00 0.00 173.24 174.47 1cx1 n GLU 29 N 3.17 0.00 -1.38 4.02 0.28 -1.26 -4.45 120.64 121.01 1cx1 n GLU 29 Ca -0.08 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.54 1cx1 n GLU 29 Cb 0.52 -1.31 0.03 0.00 1.43 0.00 0.00 31.44 32.10 1cx1 n GLU 29 CO 0.00 0.00 0.00 -2.30 -0.16 0.00 0.00 177.13 174.67 1cx1 n PRO 30 N 6.80 0.31 -3.82 3.44 -0.02 -1.26 -4.97 135.00 135.48 1cx1 n PRO 30 Ca 0.51 0.12 -0.21 0.00 -2.02 0.00 0.00 63.50 61.90 1cx1 n PRO 30 Cb -0.02 -1.43 -0.17 0.00 -0.02 0.00 0.00 33.50 31.87 1cx1 n PRO 30 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1cx1 s VAL 31 N -1.83 0.25 -0.32 -1.45 1.01 -1.16 -4.95 120.40 111.95 1cx1 s VAL 31 Ca 0.64 0.15 -0.29 0.00 0.00 0.00 0.00 61.98 62.49 1cx1 s VAL 31 Cb -0.47 -0.40 0.01 0.00 0.00 0.00 0.00 36.38 35.52 1cx1 s VAL 31 CO 0.59 0.21 1.20 0.72 0.00 0.00 0.00 175.10 177.82 1cx1 s PHE 32 N 1.70 2.89 0.00 5.22 -0.12 -1.26 -2.91 117.98 123.51 1cx1 s PHE 32 Ca 0.00 1.00 0.00 0.00 -0.05 0.00 0.00 56.93 57.88 1cx1 s PHE 32 Cb -0.13 -3.84 0.00 0.00 -0.63 0.00 0.00 43.02 38.42 1cx1 s PHE 32 CO -0.04 -1.29 0.00 0.00 -0.05 0.00 0.00 175.22 173.85 1cx1 n ALA 33 N 7.30 0.00 0.12 1.99 0.00 0.96 -4.66 120.51 126.22 1cx1 n ALA 33 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1cx1 n ALA 33 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 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 0.03 0.00 0.00 -0.08 -1.26 -4.07 116.55 111.17 1cx1 n ASP 34 Ca 0.00 -0.15 0.00 0.00 -1.51 0.00 0.00 54.79 53.13 1cx1 n ASP 34 Cb 0.00 -0.01 0.00 0.00 2.34 0.00 0.00 41.12 43.45 1cx1 n ASP 34 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1cx1 n GLY 35 N -0.09 -0.23 3.38 0.27 0.00 -1.26 -5.08 105.19 102.19 1cx1 n GLY 35 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 1.38 -0.08 1.61 1.70 -1.26 -3.50 118.95 118.80 1cx1 s ARG 36 Ca 0.00 -1.39 0.03 0.00 -0.47 0.00 0.00 55.73 53.91 1cx1 s ARG 36 Cb 0.00 -1.71 -0.01 0.00 -0.57 0.00 0.00 34.95 32.65 1cx1 s ARG 36 CO 0.00 0.39 -0.18 1.41 -1.08 0.00 0.00 175.30 175.83 1cx1 s MET 37 N -2.35 2.84 0.11 3.89 1.75 0.50 0.32 119.30 126.37 1cx1 s MET 37 Ca 0.15 -0.78 0.06 0.00 -1.25 0.00 0.00 55.69 53.87 1cx1 s MET 37 Cb -0.09 -2.38 -0.04 0.00 2.84 0.00 0.00 34.83 35.17 1cx1 s MET 37 CO 0.07 0.37 -0.14 0.00 -0.65 0.00 0.00 175.02 174.68 1cx1 s VAL 39 N -2.06 1.68 -0.51 0.00 -7.23 -0.68 -3.00 120.40 108.60 1cx1 s VAL 39 Ca 0.07 -0.96 -0.29 0.00 -1.81 0.00 0.00 61.98 58.99 1cx1 s VAL 39 Cb -0.05 -1.41 0.03 0.00 0.56 0.00 0.00 36.38 35.51 1cx1 s VAL 39 CO 0.03 0.43 1.17 -1.81 -0.31 0.00 0.00 175.10 174.60 1cx1 s ASP 40 N -0.62 6.56 -0.76 4.85 1.01 -1.26 -3.13 116.67 123.32 1cx1 s ASP 40 Ca 0.08 0.37 0.03 0.00 0.71 0.00 0.00 52.55 53.74 1cx1 s ASP 40 Cb -0.08 -2.55 0.22 0.00 1.01 0.00 0.00 42.92 41.51 1cx1 s ASP 40 CO -0.00 -1.33 0.72 0.18 0.21 0.00 0.00 175.17 174.94 1cx1 n LEU 41 N 8.07 3.79 0.00 1.23 4.32 0.62 -3.88 117.00 131.16 1cx1 n LEU 41 Ca 0.11 -5.27 0.00 0.00 -0.02 0.00 0.00 56.01 50.83 1cx1 n LEU 41 Cb 0.49 -0.85 0.00 0.00 -1.62 0.00 0.00 43.42 41.44 1cx1 n LEU 41 CO 0.72 1.80 0.05 -0.81 -1.22 0.00 0.00 177.39 177.92 1cx1 n PRO 42 N 1.65 0.00 0.00 3.23 -0.04 -1.21 0.22 135.00 138.85 1cx1 n PRO 42 Ca 0.24 0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.98 1cx1 n PRO 42 Cb 0.37 -0.84 0.00 0.00 -0.04 0.00 0.00 33.50 32.99 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 1.85 1.53 3.20 0.55 0.00 -1.26 -2.04 105.19 109.03 1cx1 n GLY 43 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 1.55 2.88 -0.02 0.00 -1.24 -4.76 105.19 103.60 1cx1 n GLY 44 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1cx1 n GLY 44 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1cx1 n GLN 45 N -2.00 4.81 -0.14 1.61 1.13 -1.26 -4.87 117.38 116.66 1cx1 n GLN 45 Ca 0.00 -4.60 -0.02 0.00 -1.94 0.00 0.00 57.00 50.45 1cx1 n GLN 45 Cb 0.00 -2.50 -0.02 0.00 0.11 0.00 0.00 30.24 27.83 1cx1 n GLN 45 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1cx1 n GLY 46 N 0.86 1.26 2.92 1.08 0.00 -1.26 -3.38 105.19 106.67 1cx1 n GLY 46 Ca 0.33 -0.16 0.01 0.00 0.00 0.00 0.00 46.02 46.20 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 2.83 -0.79 0.00 1.61 6.03 -1.26 -4.99 114.94 118.36 1cx1 s ASN 47 Ca 0.09 -0.44 0.00 0.00 -1.03 0.00 0.00 52.86 51.48 1cx1 s ASN 47 Cb 0.04 1.01 0.00 0.00 -3.03 0.00 0.00 41.25 39.28 1cx1 s ASN 47 CO 0.00 -0.08 0.29 -2.65 -2.03 0.00 0.00 177.10 172.63 1cx1 n PRO 48 N 3.88 0.00 -1.30 3.55 -0.02 -1.24 -0.45 135.00 139.41 1cx1 n PRO 48 Ca 0.08 0.02 -0.05 0.00 -2.02 0.00 0.00 63.50 61.53 1cx1 n PRO 48 Cb 0.61 -1.52 0.12 0.00 -0.02 0.00 0.00 33.50 32.68 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 -0.79 1.04 0.02 6.00 4.27 -1.26 -4.28 117.44 122.43 1cx1 n TRP 49 Ca 0.00 -1.70 0.06 0.00 -3.89 0.00 0.00 57.50 51.97 1cx1 n TRP 49 Cb 0.02 -0.27 -0.09 0.00 -1.36 0.00 0.00 31.31 29.61 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 -0.81 2.11 -3.54 -0.67 9.92 0.40 -5.04 116.55 118.93 1cx1 n ASP 50 Ca 0.26 -0.03 -0.18 0.00 -0.53 0.00 0.00 54.79 54.31 1cx1 n ASP 50 Cb 0.83 1.54 -0.09 0.00 -0.64 0.00 0.00 41.12 42.77 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 -2.83 1.75 0.00 2.24 0.00 -1.26 -4.27 121.76 117.39 1cx1 s ALA 51 Ca -0.04 -1.99 0.00 0.00 0.00 0.00 0.00 51.96 49.93 1cx1 s ALA 51 Cb 0.08 1.45 0.00 0.00 0.00 0.00 0.00 23.12 24.65 1cx1 s ALA 51 CO 0.51 -0.64 0.00 0.41 0.00 0.00 0.00 175.76 176.04 1cx1 n GLY 52 N -0.56 2.50 2.91 0.00 0.00 -0.94 -4.34 105.19 104.76 1cx1 n GLY 52 Ca 0.06 -2.00 -0.18 0.00 0.00 0.00 0.00 46.02 43.89 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 -3.82 0.99 4.77 -1.00 -2.93 117.00 115.01 1cx1 n LEU 53 Ca 0.00 -1.48 -0.05 0.00 -0.03 0.00 0.00 56.01 54.45 1cx1 n LEU 53 Cb 0.00 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.55 1cx1 n LEU 53 CO 0.00 -0.94 0.66 -0.69 -1.33 0.00 0.00 177.39 175.09 1cx1 s VAL 54 N -2.46 0.00 0.00 4.08 1.01 0.05 -2.54 120.40 120.54 1cx1 s VAL 54 Ca 0.51 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1cx1 s VAL 54 Cb -0.03 -2.44 0.00 0.00 0.00 0.00 0.00 36.38 33.91 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 -0.54 0.00 -3.85 5.22 9.36 -0.90 -1.65 117.16 124.79 1cx1 n TYR 55 Ca -0.05 0.00 -0.36 0.00 3.32 0.00 0.00 57.90 60.81 1cx1 n TYR 55 Cb 0.60 0.00 -0.13 0.00 -0.63 0.00 0.00 39.34 39.17 1cx1 n TYR 55 CO 0.00 0.00 0.00 -0.80 0.22 0.00 0.00 176.86 176.28 1cx1 s ASN 56 N 0.00 4.76 0.00 2.98 0.02 -1.26 -1.71 114.94 119.73 1cx1 s ASN 56 Ca 0.00 -0.77 0.00 0.00 -1.02 0.00 0.00 52.86 51.07 1cx1 s ASN 56 Cb 0.00 -1.78 0.00 0.00 0.02 0.00 0.00 41.25 39.49 1cx1 s ASN 56 CO 0.00 -0.16 0.00 0.61 0.02 0.00 0.00 177.10 177.57 1cx1 n GLY 57 N 4.78 -1.74 3.04 0.66 0.00 -1.26 -4.77 105.19 105.90 1cx1 n GLY 57 Ca -0.15 0.69 0.03 0.00 0.00 0.00 0.00 46.02 46.59 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 0.00 -0.50 -0.06 1.61 0.11 -1.26 -4.76 120.40 115.54 1cx1 s VAL 58 Ca 0.00 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.75 1cx1 s VAL 58 Cb 0.00 -0.26 -0.02 0.00 -1.53 0.00 0.00 36.38 34.57 1cx1 s VAL 58 CO 0.00 0.00 1.02 -2.16 -3.33 0.00 0.00 175.10 170.63 1cx1 s PRO 59 N 2.44 4.46 -0.16 1.54 0.04 -1.26 -4.26 135.00 137.80 1cx1 s PRO 59 Ca 0.19 1.44 -0.08 0.00 0.04 0.00 0.00 61.00 62.58 1cx1 s PRO 59 Cb -0.02 -3.51 -0.04 0.00 0.04 0.00 0.00 34.50 30.97 1cx1 s PRO 59 CO -0.18 -0.24 0.13 0.08 0.04 0.00 0.00 177.00 176.83 1cx1 s VAL 60 N 1.67 5.46 -0.37 -0.36 1.01 -1.10 -4.89 120.40 121.81 1cx1 s VAL 60 Ca 0.51 0.20 -0.01 0.00 0.00 0.00 0.00 61.98 62.68 1cx1 s VAL 60 Cb -0.20 -3.43 0.10 0.00 0.00 0.00 0.00 36.38 32.84 1cx1 s VAL 60 CO 0.22 0.53 0.13 -0.83 0.00 0.00 0.00 175.10 175.15 1cx1 s GLY 61 N -0.36 1.93 0.25 4.51 0.00 -1.26 -1.22 107.32 111.17 1cx1 s GLY 61 Ca 0.12 -2.40 -0.19 0.00 0.00 0.00 0.00 44.72 42.25 1cx1 s GLY 61 CO 0.01 0.95 0.20 -2.21 0.00 0.00 0.00 173.10 172.04 1cx1 n GLU 62 N 4.51 0.00 0.00 2.90 2.13 0.29 -1.14 120.64 129.33 1cx1 n GLU 62 Ca -0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.79 1cx1 n GLU 62 Cb 0.42 -0.78 0.00 0.00 0.27 0.00 0.00 31.44 31.35 1cx1 n GLU 62 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1cx1 n GLY 63 N 1.72 3.11 3.88 8.31 0.00 0.91 -4.91 105.19 118.20 1cx1 n GLY 63 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.33 2.82 0.00 1.61 2.02 -0.30 -4.79 118.70 119.74 1cx1 s GLU 64 Ca 0.00 -1.22 0.08 0.00 0.02 0.00 0.00 54.97 53.85 1cx1 s GLU 64 Cb 0.00 -2.56 -0.02 0.00 0.10 0.00 0.00 34.13 31.65 1cx1 s GLU 64 CO 0.00 0.10 -0.25 -1.12 0.02 0.00 0.00 175.26 174.01 1cx1 s SER 65 N -4.03 2.98 0.53 -0.19 0.01 -1.26 0.44 113.70 112.18 1cx1 s SER 65 Ca 0.41 -0.49 0.05 0.00 1.31 0.00 0.00 55.95 57.23 1cx1 s SER 65 Cb -0.07 -0.31 0.05 0.00 0.21 0.00 0.00 66.02 65.90 1cx1 s SER 65 CO 0.27 0.29 0.44 -1.22 0.41 0.00 0.00 173.24 173.43 1cx1 n TYR 66 N 2.25 -0.85 -3.70 2.43 4.02 -0.97 -4.51 117.16 115.82 1cx1 n TYR 66 Ca -0.16 -2.18 -0.14 0.00 -0.01 0.00 0.00 57.90 55.41 1cx1 n TYR 66 Cb 0.52 -0.44 -0.09 0.00 -0.02 0.00 0.00 39.34 39.31 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 -2.57 0.02 -0.13 -0.72 1.01 -1.01 -2.78 120.40 114.22 1cx1 s VAL 67 Ca 0.33 -0.16 -0.01 0.00 0.00 0.00 0.00 61.98 62.14 1cx1 s VAL 67 Cb -0.03 -0.69 0.04 0.00 0.00 0.00 0.00 36.38 35.71 1cx1 s VAL 67 CO 0.21 -0.09 -0.02 -0.22 0.00 0.00 0.00 175.10 174.98 1cx1 s LEU 68 N -0.50 1.11 -0.54 3.92 2.96 -1.01 -2.89 118.68 121.74 1cx1 s LEU 68 Ca -0.06 -0.45 -0.06 0.00 -0.22 0.00 0.00 54.13 53.34 1cx1 s LEU 68 Cb -0.03 -0.68 0.14 0.00 0.50 0.00 0.00 46.19 46.12 1cx1 s LEU 68 CO 0.03 -0.20 0.38 -0.94 -1.32 0.00 0.00 176.35 174.30 1cx1 s SER 69 N 1.81 5.53 -0.00 3.68 1.04 -1.07 -2.33 113.70 122.35 1cx1 s SER 69 Ca 0.02 -2.34 -0.15 0.00 0.48 0.00 0.00 55.95 53.97 1cx1 s SER 69 Cb -0.14 -1.93 -0.06 0.00 0.10 0.00 0.00 66.02 63.99 1cx1 s SER 69 CO -0.07 -0.53 0.42 0.72 0.98 0.00 0.00 173.24 174.75 1cx1 s PHE 70 N 0.71 3.72 -0.52 5.02 -0.71 -1.14 -0.68 117.98 124.39 1cx1 s PHE 70 Ca 0.11 1.00 -0.19 0.00 -1.04 0.00 0.00 56.93 56.81 1cx1 s PHE 70 Cb -0.22 -2.31 0.06 0.00 -1.21 0.00 0.00 43.02 39.34 1cx1 s PHE 70 CO -0.03 0.62 0.63 0.95 -1.34 0.00 0.00 175.22 176.04 1cx1 s THR 71 N -0.98 4.88 -0.04 -4.49 -4.23 -0.84 -2.82 115.64 107.11 1cx1 s THR 71 Ca 0.24 -0.58 -0.31 0.00 -1.18 0.00 0.00 61.69 59.86 1cx1 s THR 71 Cb -0.17 -4.32 0.13 0.00 1.34 0.00 0.00 72.50 69.48 1cx1 s THR 71 CO 0.13 -0.84 1.30 0.00 -0.54 0.00 0.00 174.62 174.67 1cx1 s ALA 72 N 2.60 -2.25 0.24 3.99 0.00 -1.18 -2.72 121.76 122.44 1cx1 s ALA 72 Ca 0.14 0.80 -0.02 0.00 0.00 0.00 0.00 51.96 52.88 1cx1 s ALA 72 Cb -0.20 0.31 -0.03 0.00 0.00 0.00 0.00 23.12 23.20 1cx1 s ALA 72 CO 0.11 -1.02 0.26 -1.54 0.00 0.00 0.00 175.76 173.57 1cx1 s SER 73 N -2.92 0.40 -0.06 0.00 1.04 -1.09 -3.39 113.70 107.68 1cx1 s SER 73 Ca 0.14 -1.36 0.06 0.00 0.48 0.00 0.00 55.95 55.26 1cx1 s SER 73 Cb 0.05 0.48 -0.01 0.00 0.10 0.00 0.00 66.02 66.63 1cx1 s SER 73 CO -0.04 -0.98 -0.24 0.00 0.98 0.00 0.00 173.24 172.96 1cx1 s ALA 74 N -3.92 2.10 -0.14 5.32 0.00 1.38 -3.12 121.76 123.38 1cx1 s ALA 74 Ca 0.35 -1.00 -0.01 0.00 0.00 0.00 0.00 51.96 51.30 1cx1 s ALA 74 Cb 0.04 -0.68 0.04 0.00 0.00 0.00 0.00 23.12 22.52 1cx1 s ALA 74 CO 0.15 0.38 -0.01 0.95 0.00 0.00 0.00 175.76 177.22 1cx1 s THR 75 N -0.04 0.72 0.00 0.00 -4.23 -1.13 0.27 115.64 111.22 1cx1 s THR 75 Ca -0.07 -0.35 0.00 0.00 -1.18 0.00 0.00 61.69 60.09 1cx1 s THR 75 Cb -0.14 -0.97 0.00 0.00 1.34 0.00 0.00 72.50 72.73 1cx1 s THR 75 CO 0.05 0.09 0.00 -2.65 -0.54 0.00 0.00 174.62 171.57 1cx1 n PRO 76 N 5.01 3.07 -3.98 3.99 -0.02 -1.26 -2.20 135.00 139.62 1cx1 n PRO 76 Ca -0.10 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.07 1cx1 n PRO 76 Cb 0.48 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.91 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 6.02 0.00 2.55 1.11 -1.25 -4.00 116.67 119.39 1cx1 s ASP 77 Ca 0.00 0.17 0.00 0.00 0.18 0.00 0.00 52.55 52.90 1cx1 s ASP 77 Cb 0.00 -1.77 0.00 0.00 1.07 0.00 0.00 42.92 42.22 1cx1 s ASP 77 CO 0.00 0.19 0.00 1.15 1.18 0.00 0.00 175.17 177.69 1cx1 n MET 78 N 0.47 0.00 -1.73 8.23 0.00 -0.36 -5.01 117.12 118.71 1cx1 n MET 78 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 57.70 57.33 1cx1 n MET 78 Cb 0.51 0.00 0.06 0.00 0.00 0.00 0.00 33.22 33.79 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 2.65 0.33 3.17 0.04 -1.26 -2.57 135.00 135.36 1cx1 s PRO 79 Ca 0.00 0.60 0.06 0.00 0.04 0.00 0.00 61.00 61.70 1cx1 s PRO 79 Cb 0.00 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.53 1cx1 s PRO 79 CO 0.00 -1.21 0.21 1.33 0.04 0.00 0.00 177.00 177.37 1cx1 n VAL 80 N -3.15 0.00 -3.96 -0.36 0.24 -0.31 -4.88 118.33 105.91 1cx1 n VAL 80 Ca 0.07 -2.21 -0.29 0.00 -2.04 0.00 0.00 64.34 59.87 1cx1 n VAL 80 Cb 0.56 0.99 -0.16 0.00 -1.47 0.00 0.00 33.84 33.76 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 -3.31 1.88 0.15 7.34 3.52 -1.13 -2.36 118.95 125.04 1cx1 s ARG 81 Ca 0.30 -0.54 0.11 0.00 -0.13 0.00 0.00 55.73 55.46 1cx1 s ARG 81 Cb 0.01 -2.04 -0.04 0.00 -1.56 0.00 0.00 34.95 31.33 1cx1 s ARG 81 CO 0.21 -0.33 -0.25 0.54 -0.81 0.00 0.00 175.30 174.66 1cx1 s VAL 82 N 1.55 2.34 0.05 7.11 0.11 -1.26 -1.86 120.40 128.43 1cx1 s VAL 82 Ca 0.03 -1.83 -0.04 0.00 -2.93 0.00 0.00 61.98 57.20 1cx1 s VAL 82 Cb -0.14 -2.07 -0.02 0.00 -1.53 0.00 0.00 36.38 32.62 1cx1 s VAL 82 CO -0.09 0.02 0.07 -1.48 -3.33 0.00 0.00 175.10 170.29 1cx1 s LEU 83 N -2.28 1.95 0.12 2.54 0.05 -1.16 -3.19 118.68 116.71 1cx1 s LEU 83 Ca 0.17 -0.66 -0.17 0.00 0.05 0.00 0.00 54.13 53.52 1cx1 s LEU 83 Cb -0.09 0.53 0.04 0.00 -2.05 0.00 0.00 46.19 44.61 1cx1 s LEU 83 CO 0.08 -0.54 0.41 -0.69 -0.55 0.00 0.00 176.35 175.06 1cx1 s VAL 84 N -3.00 0.06 -1.46 1.48 1.01 -1.03 -2.78 120.40 114.69 1cx1 s VAL 84 Ca -0.02 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.43 1cx1 s VAL 84 Cb 0.01 -1.15 0.00 0.00 0.00 0.00 0.00 36.38 35.24 1cx1 s VAL 84 CO -0.06 -0.30 0.00 0.61 0.00 0.00 0.00 175.10 175.35 1cx1 n GLY 85 N -0.21 0.29 0.00 4.51 0.00 -0.32 -2.59 105.19 106.87 1cx1 n GLY 85 Ca -0.16 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.69 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 1.13 -3.20 1.61 -0.00 -1.25 0.11 120.64 119.04 1cx1 n GLU 86 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.16 57.00 1cx1 n GLU 86 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 31.44 31.38 1cx1 n GLU 86 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1cx1 s GLY 87 N -1.88 -0.05 0.00 -1.84 0.00 -1.26 -4.49 107.32 97.81 1cx1 s GLY 87 Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 44.72 43.50 1cx1 s GLY 87 CO 0.00 2.85 0.00 0.61 0.00 0.00 0.00 173.10 176.56 1cx1 n GLY 88 N 3.46 5.78 0.09 0.20 0.00 -1.26 -4.53 105.19 108.94 1cx1 n GLY 88 Ca 0.19 -1.57 -0.03 0.00 0.00 0.00 0.00 46.02 44.61 1cx1 n GLY 88 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1cx1 h GLY 89 N 0.00 -0.22 0.73 -0.02 0.00 -2.00 -3.06 103.07 98.50 1cx1 h GLY 89 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1cx1 h GLY 89 CO 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 176.54 176.46 1cx1 n ALA 90 N -2.24 1.86 -4.22 3.60 0.00 -1.26 -4.80 120.51 113.44 1cx1 n ALA 90 Ca -0.03 -0.05 -0.31 0.00 0.00 0.00 0.00 53.44 53.06 1cx1 n ALA 90 Cb 0.08 -1.12 -0.09 0.00 0.00 0.00 0.00 19.45 18.32 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 -0.86 -1.15 -1.83 0.00 4.01 -1.16 -4.74 117.16 111.43 1cx1 n TYR 91 Ca 0.05 0.58 -0.42 0.00 -0.16 0.00 0.00 57.90 57.95 1cx1 n TYR 91 Cb 0.03 -2.41 -0.03 0.00 -0.31 0.00 0.00 39.34 36.61 1cx1 n TYR 91 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1cx1 s ARG 92 N -7.02 3.90 0.25 -0.72 1.81 -1.26 -4.91 118.95 111.00 1cx1 s ARG 92 Ca 0.17 2.21 0.02 0.00 -1.72 0.00 0.00 55.73 56.41 1cx1 s ARG 92 Cb -0.10 -4.13 -0.04 0.00 -0.45 0.00 0.00 34.95 30.24 1cx1 s ARG 92 CO 0.93 -1.20 0.18 -0.08 -0.68 0.00 0.00 175.30 174.46 1cx1 s THR 93 N 5.18 0.02 0.00 0.02 -1.32 -1.26 -3.82 115.64 114.46 1cx1 s THR 93 Ca 0.83 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 59.31 1cx1 s THR 93 Cb -0.35 -2.50 0.00 0.00 -1.51 0.00 0.00 72.50 68.14 1cx1 s THR 93 CO 0.35 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.76 1cx1 n ALA 94 N -0.41 1.63 -0.55 11.08 0.00 -1.25 -4.67 120.51 126.35 1cx1 n ALA 94 Ca 0.04 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.32 1cx1 n ALA 94 Cb 0.65 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.17 1cx1 n ALA 94 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1cx1 n PHE 95 N -1.21 1.69 -2.75 0.00 -0.00 -1.07 -4.81 117.46 109.31 1cx1 n PHE 95 Ca 0.00 -1.63 -0.43 0.00 -0.00 0.00 0.00 57.45 55.39 1cx1 n PHE 95 Cb 0.00 -0.81 -0.02 0.00 -0.00 0.00 0.00 39.48 38.65 1cx1 n PHE 95 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.76 174.93 1cx1 s GLU 96 N -1.90 3.72 0.00 -4.13 -1.05 -1.26 -2.45 118.70 111.63 1cx1 s GLU 96 Ca 0.32 -1.68 0.00 0.00 -0.15 0.00 0.00 54.97 53.47 1cx1 s GLU 96 Cb 0.26 -5.18 0.00 0.00 -0.44 0.00 0.00 34.13 28.77 1cx1 s GLU 96 CO 0.03 -1.99 0.00 0.00 0.95 0.00 0.00 175.26 174.24 1cx1 n GLN 97 N 7.51 3.62 0.00 -4.83 10.64 -1.19 -5.06 117.38 128.06 1cx1 n GLN 97 Ca 0.32 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.49 1cx1 n GLN 97 Cb 0.48 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.86 1cx1 n GLN 97 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1cx1 n GLY 98 N 5.00 0.07 3.56 2.61 0.00 -1.26 -4.53 105.19 110.63 1cx1 n GLY 98 Ca 0.00 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.73 6.49 -0.66 1.61 0.01 -1.26 -3.95 113.70 115.23 1cx1 s SER 99 Ca 0.00 -1.43 0.05 0.00 1.31 0.00 0.00 55.95 55.88 1cx1 s SER 99 Cb 0.00 -2.57 0.18 0.00 0.21 0.00 0.00 66.02 63.84 1cx1 s SER 99 CO 0.00 -1.51 0.51 0.00 0.41 0.00 0.00 173.24 172.64 1cx1 n ALA 100 N 8.88 3.40 -1.67 1.44 0.00 -0.99 -4.94 120.51 126.64 1cx1 n ALA 100 Ca 0.32 -4.35 -0.47 0.00 0.00 0.00 0.00 53.44 48.95 1cx1 n ALA 100 Cb 0.51 -0.97 -0.04 0.00 0.00 0.00 0.00 19.45 18.94 1cx1 n ALA 100 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1cx1 n PRO 101 N 1.93 2.10 -3.93 0.00 -0.02 -1.26 -1.16 135.00 132.66 1cx1 n PRO 101 Ca 0.22 0.76 -0.10 0.00 -2.02 0.00 0.00 63.50 62.36 1cx1 n PRO 101 Cb 0.38 -2.54 -0.12 0.00 -0.02 0.00 0.00 33.50 31.19 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 1.80 2.08 0.40 2.45 1.43 -1.06 -4.93 118.68 120.84 1cx1 s LEU 102 Ca 0.83 -0.26 0.03 0.00 -1.03 0.00 0.00 54.13 53.71 1cx1 s LEU 102 Cb -0.70 0.11 -0.04 0.00 0.03 0.00 0.00 46.19 45.59 1cx1 s LEU 102 CO 0.42 -0.18 0.08 0.28 0.23 0.00 0.00 176.35 177.19 1cx1 s THR 103 N -0.83 0.93 -1.23 5.49 -1.32 -1.26 -1.23 115.64 116.19 1cx1 s THR 103 Ca -0.09 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.39 1cx1 s THR 103 Cb -0.06 -2.49 0.00 0.00 -1.51 0.00 0.00 72.50 68.44 1cx1 s THR 103 CO -0.00 0.00 0.55 0.61 -2.21 0.00 0.00 174.62 173.56 1cx1 n GLY 104 N -0.89 0.82 3.33 6.08 0.00 0.75 0.41 105.19 115.69 1cx1 n GLY 104 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 1cx1 n GLY 104 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cx1 s GLU 105 N -1.23 2.83 -0.39 1.61 2.02 -1.26 -4.78 118.70 117.50 1cx1 s GLU 105 Ca 0.00 -1.48 -0.42 0.00 0.02 0.00 0.00 54.97 53.09 1cx1 s GLU 105 Cb 0.00 -4.04 -0.17 0.00 0.10 0.00 0.00 34.13 30.02 1cx1 s GLU 105 CO 0.00 -1.07 1.81 -2.30 0.02 0.00 0.00 175.26 173.72 1cx1 n PRO 106 N 5.10 0.63 -3.50 0.39 -0.02 -1.26 -4.71 135.00 131.63 1cx1 n PRO 106 Ca -0.12 0.22 -0.11 0.00 -2.02 0.00 0.00 63.50 61.48 1cx1 n PRO 106 Cb 0.43 -1.87 -0.03 0.00 -0.02 0.00 0.00 33.50 32.00 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 4.16 -1.79 -0.02 3.55 0.00 -1.22 -4.99 121.76 121.44 1cx1 s ALA 107 Ca 1.05 1.06 -0.18 0.00 0.00 0.00 0.00 51.96 53.89 1cx1 s ALA 107 Cb -1.24 0.24 -0.05 0.00 0.00 0.00 0.00 23.12 22.07 1cx1 s ALA 107 CO 0.69 -0.59 0.50 0.95 0.00 0.00 0.00 175.76 177.30 1cx1 s THR 108 N -2.61 5.00 -0.04 0.00 -4.23 -1.26 -3.13 115.64 109.37 1cx1 s THR 108 Ca 0.01 1.02 0.02 0.00 -1.18 0.00 0.00 61.69 61.56 1cx1 s THR 108 Cb -0.01 -3.82 -0.03 0.00 1.34 0.00 0.00 72.50 69.98 1cx1 s THR 108 CO -0.05 0.47 -0.06 -0.13 -0.54 0.00 0.00 174.62 174.31 1cx1 s ARG 109 N -0.40 2.69 -0.35 3.99 3.00 -1.13 -4.91 118.95 121.83 1cx1 s ARG 109 Ca 0.27 -0.61 -0.02 0.00 0.00 0.00 0.00 55.73 55.36 1cx1 s ARG 109 Cb -0.17 -2.57 0.07 0.00 0.00 0.00 0.00 34.95 32.28 1cx1 s ARG 109 CO 0.14 0.64 0.09 -1.21 0.00 0.00 0.00 175.30 174.96 1cx1 s GLU 110 N -1.11 2.25 -0.35 3.54 2.02 -1.25 -2.89 118.70 120.90 1cx1 s GLU 110 Ca 0.15 -1.50 -0.07 0.00 0.02 0.00 0.00 54.97 53.57 1cx1 s GLU 110 Cb -0.11 -3.37 0.04 0.00 0.10 0.00 0.00 34.13 30.80 1cx1 s GLU 110 CO 0.05 -0.81 0.13 0.71 0.02 0.00 0.00 175.26 175.35 1cx1 s TYR 111 N 1.21 3.27 0.40 1.61 2.02 -0.99 -4.88 117.35 120.00 1cx1 s TYR 111 Ca 0.01 -1.44 0.07 0.00 -0.37 0.00 0.00 57.07 55.35 1cx1 s TYR 111 Cb -0.21 -2.38 -0.06 0.00 -0.40 0.00 0.00 41.96 38.91 1cx1 s TYR 111 CO -0.02 -0.74 0.08 0.00 -1.57 0.00 0.00 175.55 173.29 1cx1 s ALA 112 N 1.41 3.35 0.34 3.71 0.00 -1.26 -2.40 121.76 126.90 1cx1 s ALA 112 Ca -0.01 -2.17 -0.08 0.00 0.00 0.00 0.00 51.96 49.70 1cx1 s ALA 112 Cb -0.20 -0.15 0.03 0.00 0.00 0.00 0.00 23.12 22.81 1cx1 s ALA 112 CO 0.03 -0.11 0.59 1.97 0.00 0.00 0.00 175.76 178.24 1cx1 n PHE 113 N -1.08 -1.84 -3.72 0.00 -1.74 -1.12 -4.96 117.46 103.00 1cx1 n PHE 113 Ca -0.03 -1.91 -0.38 0.00 -0.56 0.00 0.00 57.45 54.57 1cx1 n PHE 113 Cb 0.65 0.69 -0.12 0.00 1.52 0.00 0.00 39.48 42.22 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 -2.47 3.74 -0.40 1.97 -4.23 -1.26 -2.29 115.64 110.70 1cx1 s THR 114 Ca 0.20 -1.44 -0.37 0.00 -1.18 0.00 0.00 61.69 58.89 1cx1 s THR 114 Cb -0.03 -3.27 -0.16 0.00 1.34 0.00 0.00 72.50 70.38 1cx1 s THR 114 CO 0.15 -0.39 1.30 -1.54 -0.54 0.00 0.00 174.62 173.60 1cx1 n SER 115 N 4.78 0.95 -0.12 3.99 3.41 1.51 -4.75 113.62 123.38 1cx1 n SER 115 Ca -0.10 0.93 -0.26 0.00 -0.26 0.00 0.00 58.87 59.18 1cx1 n SER 115 Cb 0.43 -0.70 -0.11 0.00 -0.26 0.00 0.00 64.21 63.57 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 3.34 1.93 0.00 4.04 4.13 -1.26 -0.06 115.26 127.38 1cx1 n ASN 116 Ca 0.26 0.34 0.00 0.00 1.68 0.00 0.00 54.58 56.86 1cx1 n ASN 116 Cb -0.05 -0.85 0.00 0.00 -1.54 0.00 0.00 39.78 37.34 1cx1 n ASN 116 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 1cx1 n LEU 117 N -4.24 0.00 -4.36 3.41 0.00 -1.26 -4.57 117.00 105.97 1cx1 n LEU 117 Ca -0.46 0.00 -0.30 0.00 0.00 0.00 0.00 56.01 55.25 1cx1 n LEU 117 Cb 0.83 0.00 -0.14 0.00 0.00 0.00 0.00 43.42 44.11 1cx1 n LEU 117 CO 0.11 0.00 -0.56 0.42 0.00 0.00 0.00 177.39 177.36 1cx1 s THR 118 N 1.52 2.23 -0.46 1.96 -4.23 -1.26 0.11 115.64 115.51 1cx1 s THR 118 Ca 0.00 -1.39 0.07 0.00 -1.18 0.00 0.00 61.69 59.18 1cx1 s THR 118 Cb 0.00 -1.89 0.30 0.00 1.34 0.00 0.00 72.50 72.26 1cx1 s THR 118 CO 0.00 0.34 1.03 0.49 -0.54 0.00 0.00 174.62 175.94 1cx1 n PHE 119 N 1.69 -2.67 -0.17 3.99 3.72 -0.36 -4.96 117.46 118.71 1cx1 n PHE 119 Ca -0.17 -2.23 -0.08 0.00 -0.05 0.00 0.00 57.45 54.93 1cx1 n PHE 119 Cb 0.52 1.41 0.07 0.00 -0.94 0.00 0.00 39.48 40.54 1cx1 n PHE 119 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1cx1 n PRO 120 N 0.64 -1.19 0.11 -1.08 -0.02 -1.26 -2.73 135.00 129.48 1cx1 n PRO 120 Ca 0.09 -0.36 -0.03 0.00 -2.02 0.00 0.00 63.50 61.18 1cx1 n PRO 120 Cb 0.68 -0.63 0.18 0.00 -0.02 0.00 0.00 33.50 33.71 1cx1 n PRO 120 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1cx1 h PRO 121 N 0.00 0.13 0.00 0.52 0.11 -1.91 -3.39 132.00 127.46 1cx1 h PRO 121 Ca -0.10 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.93 1cx1 h PRO 121 Cb 0.33 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.45 1cx1 h PRO 121 CO 0.06 0.65 0.00 -0.40 -0.21 0.00 0.00 178.00 178.10 1cx1 n ASP 122 N -3.89 1.10 0.00 -2.05 5.75 -1.26 -3.22 116.55 112.98 1cx1 n ASP 122 Ca -0.02 -0.16 0.00 0.00 -0.01 0.00 0.00 54.79 54.61 1cx1 n ASP 122 Cb 0.58 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.67 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 -0.16 0.28 6.12 0.00 -1.26 -4.11 105.19 111.06 1cx1 n GLY 123 Ca 0.00 -1.39 0.02 0.00 0.00 0.00 0.00 46.02 44.65 1cx1 n GLY 123 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1cx1 h ASP 124 N 4.77 -0.71 -4.58 1.61 2.03 -1.96 -3.43 116.42 114.15 1cx1 h ASP 124 Ca 0.00 0.23 0.06 0.00 -0.73 0.00 0.00 57.03 56.59 1cx1 h ASP 124 Cb 0.00 0.47 -0.18 0.00 -0.83 0.00 0.00 39.33 38.79 1cx1 h ASP 124 CO 0.00 -0.25 0.43 0.00 -1.03 0.00 0.00 179.24 178.39 1cx1 s ALA 125 N -6.24 -1.82 1.00 4.15 0.00 -1.26 -4.80 121.76 112.79 1cx1 s ALA 125 Ca -0.15 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.01 1cx1 s ALA 125 Cb 0.22 0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.38 1cx1 s ALA 125 CO 0.75 -0.52 0.00 -0.35 0.00 0.00 0.00 175.76 175.64 1cx1 n PRO 126 N 0.25 1.25 -0.55 0.00 -0.04 -1.20 -4.53 135.00 130.18 1cx1 n PRO 126 Ca -0.12 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.06 1cx1 n PRO 126 Cb 0.60 0.00 0.25 0.00 -0.04 0.00 0.00 33.50 34.31 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 -0.85 1.55 -0.16 0.55 0.00 -1.26 -4.00 107.32 103.15 1cx1 s GLY 127 Ca 0.00 -0.07 -0.05 0.00 0.00 0.00 0.00 44.72 44.60 1cx1 s GLY 127 CO 0.00 0.63 0.32 1.62 0.00 0.00 0.00 173.10 175.67 1cx1 s GLN 128 N -4.47 0.22 -0.01 2.90 2.00 0.31 -4.21 119.66 116.39 1cx1 s GLN 128 Ca 0.68 0.80 0.01 0.00 -2.00 0.00 0.00 55.36 54.86 1cx1 s GLN 128 Cb -0.25 -0.00 0.00 0.00 0.80 0.00 0.00 33.01 33.56 1cx1 s GLN 128 CO 0.64 -0.32 -0.05 0.08 -0.50 0.00 0.00 175.29 175.15 1cx1 s VAL 129 N 2.49 0.40 -0.30 1.34 1.01 -0.69 -1.17 120.40 123.47 1cx1 s VAL 129 Ca 0.01 -0.18 -0.03 0.00 0.00 0.00 0.00 61.98 61.79 1cx1 s VAL 129 Cb -0.12 -0.36 0.18 0.00 0.00 0.00 0.00 36.38 36.07 1cx1 s VAL 129 CO -0.11 0.13 0.62 0.00 0.00 0.00 0.00 175.10 175.74 1cx1 s ALA 130 N 0.12 -2.24 -0.44 5.51 0.00 -1.12 -2.12 121.76 121.47 1cx1 s ALA 130 Ca -0.01 1.95 -0.23 0.00 0.00 0.00 0.00 51.96 53.67 1cx1 s ALA 130 Cb -0.05 -2.09 0.02 0.00 0.00 0.00 0.00 23.12 21.00 1cx1 s ALA 130 CO -0.00 -1.25 0.76 -0.06 0.00 0.00 0.00 175.76 175.21 1cx1 s PHE 131 N 2.87 3.02 -0.13 0.00 0.08 -1.05 -2.99 117.98 119.77 1cx1 s PHE 131 Ca 0.15 0.16 -0.08 0.00 0.12 0.00 0.00 56.93 57.28 1cx1 s PHE 131 Cb -0.14 -3.58 -0.04 0.00 -0.57 0.00 0.00 43.02 38.68 1cx1 s PHE 131 CO -0.20 -0.94 0.15 -1.01 -0.10 0.00 0.00 175.22 173.11 1cx1 s HIS 132 N 3.19 3.57 0.00 0.36 3.76 -0.78 -2.37 115.29 123.02 1cx1 s HIS 132 Ca 0.29 0.52 0.00 0.00 -0.15 0.00 0.00 55.06 55.72 1cx1 s HIS 132 Cb -0.13 -1.99 0.00 0.00 1.11 0.00 0.00 32.58 31.57 1cx1 s HIS 132 CO 0.22 0.66 0.46 1.47 -0.85 0.00 0.00 174.74 176.69 1cx1 n LEU 133 N 2.23 0.00 -4.75 0.89 -0.00 -1.26 -2.84 117.00 111.26 1cx1 n LEU 133 Ca -0.19 -0.83 -0.40 0.00 -0.00 0.00 0.00 56.01 54.59 1cx1 n LEU 133 Cb 0.54 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.91 1cx1 n LEU 133 CO 0.32 0.72 0.73 -0.83 -0.00 0.00 0.00 177.39 178.33 1cx1 s GLY 134 N -0.14 3.06 -0.29 1.47 0.00 -1.26 -4.64 107.32 105.51 1cx1 s GLY 134 Ca 0.00 0.75 -0.15 0.00 0.00 0.00 0.00 44.72 45.32 1cx1 s GLY 134 CO 0.00 1.39 0.88 0.54 0.00 0.00 0.00 173.10 175.91 1cx1 s LYS 135 N -1.10 0.47 0.39 2.90 1.02 -1.25 -3.72 119.74 118.44 1cx1 s LYS 135 Ca 0.44 0.89 0.04 0.00 0.02 0.00 0.00 55.97 57.36 1cx1 s LYS 135 Cb -0.29 0.22 0.23 0.00 -0.52 0.00 0.00 37.83 37.47 1cx1 s LYS 135 CO 0.36 -0.11 0.95 0.00 -0.92 0.00 0.00 175.35 175.63 1cx1 h ALA 136 N 6.71 1.49 0.00 5.17 0.00 -1.84 4.81 119.26 135.59 1cx1 h ALA 136 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1cx1 h ALA 136 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1cx1 h ALA 136 CO 0.16 -0.49 -0.10 0.41 0.00 0.00 0.00 179.25 179.23 1cx1 n GLY 137 N -1.29 3.01 0.00 0.00 0.00 -1.25 -3.67 105.19 101.99 1cx1 n GLY 137 Ca -0.00 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.85 0.00 -2.00 4.61 0.00 1.57 -4.93 120.51 118.92 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 -0.39 0.00 -4.13 0.00 4.11 0.60 -4.68 117.16 112.67 1cx1 n TYR 139 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.90 57.75 1cx1 n TYR 139 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 39.34 39.21 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 2.99 0.47 -0.10 -3.48 2.02 -0.93 -0.28 118.70 119.39 1cx1 s GLU 140 Ca 0.00 -0.41 0.02 0.00 0.02 0.00 0.00 54.97 54.60 1cx1 s GLU 140 Cb 0.00 -0.37 0.01 0.00 0.10 0.00 0.00 34.13 33.87 1cx1 s GLU 140 CO 0.00 0.09 -0.17 0.12 0.02 0.00 0.00 175.26 175.32 1cx1 s PHE 141 N -0.61 2.04 -0.23 1.61 5.36 -1.18 -2.83 117.98 122.13 1cx1 s PHE 141 Ca -0.03 -0.90 -0.00 0.00 -0.96 0.00 0.00 56.93 55.04 1cx1 s PHE 141 Cb -0.05 -1.44 0.03 0.00 -0.34 0.00 0.00 43.02 41.22 1cx1 s PHE 141 CO 0.00 -0.43 -0.10 0.00 -1.46 0.00 0.00 175.22 173.23 1cx1 s ILE 143 N 1.28 1.56 0.00 0.00 2.07 0.25 -2.66 121.20 123.71 1cx1 s ILE 143 Ca -0.00 -1.05 0.00 0.00 -1.41 0.00 0.00 60.65 58.19 1cx1 s ILE 143 Cb -0.16 -1.34 0.00 0.00 0.13 0.00 0.00 42.46 41.09 1cx1 s ILE 143 CO -0.06 0.26 0.00 -1.54 -1.91 0.00 0.00 174.94 171.68 1cx1 n SER 144 N 2.10 4.77 -3.64 4.50 3.41 -1.10 0.19 113.62 123.84 1cx1 n SER 144 Ca -0.17 -0.01 -0.01 0.00 -0.26 0.00 0.00 58.87 58.43 1cx1 n SER 144 Cb 0.53 0.97 -0.00 0.00 -0.26 0.00 0.00 64.21 65.45 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 -1.92 0.82 -0.09 4.33 -2.07 -1.26 0.21 119.66 119.69 1cx1 s GLN 145 Ca 0.00 -0.48 -0.09 0.00 -1.82 0.00 0.00 55.36 52.97 1cx1 s GLN 145 Cb 0.00 0.27 0.02 0.00 -1.09 0.00 0.00 33.01 32.21 1cx1 s GLN 145 CO 0.00 -0.38 0.25 0.54 -1.32 0.00 0.00 175.29 174.38 1cx1 s VAL 146 N -2.65 0.01 0.25 3.63 0.11 -1.26 -1.99 120.40 118.50 1cx1 s VAL 146 Ca 0.16 -0.07 0.10 0.00 -2.93 0.00 0.00 61.98 59.24 1cx1 s VAL 146 Cb 0.01 -0.38 -0.04 0.00 -1.53 0.00 0.00 36.38 34.43 1cx1 s VAL 146 CO 0.00 -0.04 -0.07 -0.44 -3.33 0.00 0.00 175.10 171.23 1cx1 s SER 147 N -0.04 4.27 -0.30 3.54 0.01 0.15 -4.42 113.70 116.90 1cx1 s SER 147 Ca -0.02 -0.72 -0.11 0.00 1.31 0.00 0.00 55.95 56.41 1cx1 s SER 147 Cb -0.02 -0.69 0.17 0.00 0.21 0.00 0.00 66.02 65.68 1cx1 s SER 147 CO 0.01 0.03 0.90 -0.22 0.41 0.00 0.00 173.24 174.37 1cx1 s LEU 148 N -3.48 -0.75 0.00 2.44 2.96 -1.26 -2.59 118.68 116.01 1cx1 s LEU 148 Ca 0.30 0.71 0.00 0.00 -0.22 0.00 0.00 54.13 54.92 1cx1 s LEU 148 Cb -0.07 1.73 0.00 0.00 0.50 0.00 0.00 46.19 48.35 1cx1 s LEU 148 CO 0.18 -0.14 0.00 1.07 -1.32 0.00 0.00 176.35 176.14 1cx1 n THR 149 N 5.27 0.00 -0.50 3.68 5.66 -1.14 -3.01 114.28 124.23 1cx1 n THR 149 Ca -0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.93 1cx1 n THR 149 Cb 0.52 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 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 -4.26 1.09 5.66 -1.25 -2.40 114.28 113.11 1cx1 n THR 150 Ca 0.00 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.61 1cx1 n THR 150 Cb 0.00 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 68.71 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 0.00 -1.67 -3.77 1.09 7.64 -1.25 -4.52 113.62 111.14 1cx1 n SER 151 Ca 0.00 -1.11 -0.18 0.00 1.01 0.00 0.00 58.87 58.59 1cx1 n SER 151 Cb 0.00 -1.46 -0.17 0.00 -1.01 0.00 0.00 64.21 61.57 1cx1 n SER 151 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1cx1 s ALA 152 N -3.05 0.31 0.00 -0.43 0.00 -1.26 -2.90 121.76 114.45 1cx1 s ALA 152 Ca 0.75 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.87 1cx1 s ALA 152 Cb -0.44 -0.44 0.00 0.00 0.00 0.00 0.00 23.12 22.24 1cx1 s ALA 152 CO 0.93 -0.23 0.00 2.41 0.00 0.00 0.00 175.76 178.86