#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 -5.84 -4.46 0.00 7.64 -1.26 -4.95 113.62 104.75 1cx1 n SER 2 Ca 0.00 -0.06 -0.33 0.00 1.01 0.00 0.00 58.87 59.49 1cx1 n SER 2 Cb 0.00 -2.16 -0.13 0.00 -1.01 0.00 0.00 64.21 60.91 1cx1 n SER 2 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1cx1 s LEU 3 N -2.47 2.76 -0.08 -3.43 2.96 -1.26 -4.98 118.68 112.18 1cx1 s LEU 3 Ca 0.37 -0.21 0.03 0.00 -0.22 0.00 0.00 54.13 54.10 1cx1 s LEU 3 Cb -0.04 -1.57 0.21 0.00 0.50 0.00 0.00 46.19 45.29 1cx1 s LEU 3 CO 0.86 0.31 0.95 0.47 -1.32 0.00 0.00 176.35 177.62 1cx1 n ASP 4 N 2.55 2.55 -0.00 3.68 9.92 -1.26 -4.63 116.55 129.36 1cx1 n ASP 4 Ca -0.17 -2.30 0.00 0.00 -0.53 0.00 0.00 54.79 51.78 1cx1 n ASP 4 Cb 0.52 -0.56 0.00 0.00 -0.64 0.00 0.00 41.12 40.44 1cx1 n ASP 4 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1cx1 n SER 5 N 0.14 0.00 -3.67 -2.24 7.64 -1.26 -5.05 113.62 109.18 1cx1 n SER 5 Ca 0.10 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.69 1cx1 n SER 5 Cb 0.59 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.71 1cx1 n SER 5 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1cx1 n GLU 6 N 0.00 2.41 -1.26 1.43 1.02 -1.26 -4.81 120.64 118.17 1cx1 n GLU 6 Ca 0.00 -4.60 -0.27 0.00 -0.02 0.00 0.00 57.16 52.28 1cx1 n GLU 6 Cb 0.00 -2.30 -0.16 0.00 -0.02 0.00 0.00 31.44 28.97 1cx1 n GLU 6 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1cx1 n VAL 7 N 1.36 0.00 -2.79 2.62 0.31 -1.26 -4.74 118.33 113.83 1cx1 n VAL 7 Ca 0.26 -0.20 -0.43 0.00 -0.01 0.00 0.00 64.34 63.96 1cx1 n VAL 7 Cb 0.38 -0.22 -0.01 0.00 -0.91 0.00 0.00 33.84 33.08 1cx1 n VAL 7 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1cx1 s GLU 8 N 6.77 3.91 0.40 5.55 2.12 -1.26 -3.90 118.70 132.30 1cx1 s GLU 8 Ca 1.13 -2.09 0.08 0.00 0.36 0.00 0.00 54.97 54.45 1cx1 s GLU 8 Cb -0.90 -5.21 0.85 0.00 0.26 0.00 0.00 34.13 29.13 1cx1 s GLU 8 CO 0.44 -1.96 2.00 -0.07 -0.54 0.00 0.00 175.26 175.13 1cx1 h LEU 9 N 11.02 0.34 -7.80 2.70 3.38 -1.85 -3.33 115.31 119.77 1cx1 h LEU 9 Ca 0.31 -0.04 -0.72 0.00 0.09 0.00 0.00 57.88 57.53 1cx1 h LEU 9 Cb 0.92 -0.09 -0.32 0.00 0.09 0.00 0.00 40.66 41.26 1cx1 h LEU 9 CO 1.30 0.35 -0.36 -0.22 0.09 0.00 0.00 178.44 179.60 1cx1 s LEU 10 N -9.16 5.59 0.00 1.67 1.98 -1.26 -4.93 118.68 112.57 1cx1 s LEU 10 Ca -0.07 -2.31 0.00 0.00 -2.89 0.00 0.00 54.13 48.86 1cx1 s LEU 10 Cb 0.16 -1.95 0.00 0.00 0.66 0.00 0.00 46.19 45.07 1cx1 s LEU 10 CO 0.73 -0.55 0.70 -0.81 -1.89 0.00 0.00 176.35 174.53 1cx1 n PRO 11 N 4.31 0.83 -3.48 0.98 -0.04 -1.25 -4.31 135.00 132.04 1cx1 n PRO 11 Ca 0.00 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.20 1cx1 n PRO 11 Cb 0.41 -1.18 -0.09 0.00 -0.04 0.00 0.00 33.50 32.59 1cx1 n PRO 11 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1cx1 n HIS 12 N 0.44 1.79 -1.86 0.54 -0.00 -1.26 -4.91 115.22 109.97 1cx1 n HIS 12 Ca 0.00 -3.90 -0.28 0.00 0.46 0.00 0.00 57.72 53.99 1cx1 n HIS 12 Cb 0.35 -0.38 0.04 0.00 -0.12 0.00 0.00 29.99 29.88 1cx1 n HIS 12 CO 0.00 0.00 0.00 -2.37 0.46 0.00 0.00 176.34 174.43 1cx1 n THR 13 N 1.60 2.90 -2.84 3.57 5.66 -1.26 -4.78 114.28 119.13 1cx1 n THR 13 Ca 0.25 -3.92 -0.30 0.00 -3.05 0.00 0.00 64.05 57.04 1cx1 n THR 13 Cb 0.44 -1.16 -0.02 0.00 -1.55 0.00 0.00 70.33 68.03 1cx1 n THR 13 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1cx1 n SER 14 N -0.74 5.11 -0.31 1.09 2.88 -1.26 -4.01 113.62 116.38 1cx1 n SER 14 Ca 0.50 -3.69 0.00 0.00 -1.33 0.00 0.00 58.87 54.34 1cx1 n SER 14 Cb 0.81 -0.68 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 1cx1 n SER 14 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1cx1 n PHE 15 N -0.23 0.00 0.07 0.66 3.01 -0.71 -2.23 117.46 118.03 1cx1 n PHE 15 Ca 0.35 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.88 1cx1 n PHE 15 Cb 0.38 -0.02 -0.03 0.00 -0.01 0.00 0.00 39.48 39.80 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 0.03 2.28 -1.43 4.37 0.00 -1.24 -2.85 120.51 121.66 1cx1 n ALA 16 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1cx1 n ALA 16 Cb 0.04 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 -2.77 0.00 -4.16 0.00 1.02 -0.95 -3.89 120.64 109.91 1cx1 n GLU 17 Ca -0.04 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.83 1cx1 n GLU 17 Cb 0.67 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 32.02 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 -0.02 5.03 0.10 1.62 0.01 -1.26 -4.71 113.70 114.47 1cx1 s SER 18 Ca 0.00 -0.28 -0.28 0.00 1.31 0.00 0.00 55.95 56.71 1cx1 s SER 18 Cb 0.00 -1.17 -0.11 0.00 0.21 0.00 0.00 66.02 64.95 1cx1 s SER 18 CO 0.00 0.10 1.65 -0.07 0.41 0.00 0.00 173.24 175.33 1cx1 h LEU 19 N 2.77 -0.65 0.00 2.44 3.38 -1.90 -3.41 115.31 117.94 1cx1 h LEU 19 Ca -0.47 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.56 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 0.60 -0.34 0.00 0.61 0.09 0.00 0.00 178.44 179.40 1cx1 n GLY 20 N -1.36 0.10 0.10 0.83 0.00 -1.26 -4.48 105.19 99.12 1cx1 n GLY 20 Ca -0.08 -1.85 -0.02 0.00 0.00 0.00 0.00 46.02 44.08 1cx1 n GLY 20 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1cx1 h PRO 21 N 0.00 0.00 -6.69 1.61 0.13 -1.94 -3.46 132.00 121.65 1cx1 h PRO 21 Ca 0.00 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.66 1cx1 h PRO 21 Cb 0.00 0.00 0.23 0.00 0.13 0.00 0.00 31.00 31.36 1cx1 h PRO 21 CO 0.00 0.74 -1.00 0.91 -0.23 0.00 0.00 178.00 178.42 1cx1 n TRP 22 N -3.30 -1.45 -4.48 1.56 7.02 -1.26 -4.92 117.44 110.61 1cx1 n TRP 22 Ca 0.01 0.16 -0.25 0.00 -1.02 0.00 0.00 57.50 56.40 1cx1 n TRP 22 Cb 0.83 -1.61 -0.08 0.00 -2.42 0.00 0.00 31.31 28.03 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 -1.87 2.68 0.00 -0.99 0.01 0.14 -4.92 113.70 108.76 1cx1 s SER 23 Ca 0.56 -1.73 0.00 0.00 1.31 0.00 0.00 55.95 56.09 1cx1 s SER 23 Cb -0.14 0.58 0.00 0.00 0.21 0.00 0.00 66.02 66.67 1cx1 s SER 23 CO 0.66 -0.99 0.00 0.00 0.41 0.00 0.00 173.24 173.32 1cx1 n LEU 24 N -0.89 0.00 -3.64 2.44 -0.00 -1.26 -0.94 117.00 112.70 1cx1 n LEU 24 Ca -0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 55.95 1cx1 n LEU 24 Cb 0.64 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 44.03 1cx1 n LEU 24 CO 0.34 0.00 1.16 -0.72 -0.00 0.00 0.00 177.39 178.17 1cx1 s TYR 25 N -2.00 -0.03 0.00 1.47 1.13 -1.11 -4.99 117.35 111.82 1cx1 s TYR 25 Ca 0.00 0.04 0.00 0.00 -1.41 0.00 0.00 57.07 55.70 1cx1 s TYR 25 Cb 0.00 0.50 0.00 0.00 -1.10 0.00 0.00 41.96 41.36 1cx1 s TYR 25 CO 0.00 -0.03 0.00 0.41 -2.51 0.00 0.00 175.55 173.42 1cx1 n GLY 26 N 0.37 2.07 0.00 5.49 0.00 -1.26 -2.49 105.19 109.37 1cx1 n GLY 26 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1cx1 n GLY 26 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1cx1 n THR 27 N -0.39 0.00 -3.42 2.61 5.66 -1.25 -4.41 114.28 113.08 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 -0.02 6.74 -0.76 1.09 1.04 -1.26 -4.94 113.70 115.59 1cx1 s SER 28 Ca 0.00 0.88 -0.36 0.00 0.48 0.00 0.00 55.95 56.95 1cx1 s SER 28 Cb 0.00 -2.26 -0.20 0.00 0.10 0.00 0.00 66.02 63.66 1cx1 s SER 28 CO 0.00 0.18 2.45 -1.84 0.98 0.00 0.00 173.24 175.01 1cx1 n GLU 29 N 2.69 0.09 -0.84 4.02 0.28 -1.26 -4.54 120.64 121.08 1cx1 n GLU 29 Ca -0.11 0.01 -0.35 0.00 -0.16 0.00 0.00 57.16 56.56 1cx1 n GLU 29 Cb 0.52 -1.62 0.10 0.00 1.43 0.00 0.00 31.44 31.87 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 8.13 -0.66 -3.66 3.44 -0.02 -1.26 -4.97 135.00 135.99 1cx1 n PRO 30 Ca 0.60 -0.18 -0.10 0.00 -2.02 0.00 0.00 63.50 61.80 1cx1 n PRO 30 Cb 0.03 -1.43 -0.10 0.00 -0.02 0.00 0.00 33.50 31.98 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 -2.17 -0.54 -0.89 -1.45 1.01 -1.12 -4.93 120.40 110.32 1cx1 s VAL 31 Ca 0.48 0.18 -0.25 0.00 0.00 0.00 0.00 61.98 62.40 1cx1 s VAL 31 Cb -0.09 -0.62 0.01 0.00 0.00 0.00 0.00 36.38 35.69 1cx1 s VAL 31 CO 0.69 0.08 1.59 0.72 0.00 0.00 0.00 175.10 178.18 1cx1 s PHE 32 N 2.44 2.20 0.00 5.22 -0.12 -1.25 -2.88 117.98 123.58 1cx1 s PHE 32 Ca -0.02 -0.13 0.00 0.00 -0.05 0.00 0.00 56.93 56.73 1cx1 s PHE 32 Cb -0.12 -4.45 0.00 0.00 -0.63 0.00 0.00 43.02 37.83 1cx1 s PHE 32 CO -0.12 -1.96 0.00 0.00 -0.05 0.00 0.00 175.22 173.09 1cx1 n ALA 33 N 10.74 0.00 -0.24 1.99 0.00 0.37 -4.68 120.51 128.69 1cx1 n ALA 33 Ca 0.28 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.68 1cx1 n ALA 33 Cb 0.50 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.02 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 0.70 0.00 0.00 1.82 -1.93 -3.38 116.42 113.64 1cx1 h ASP 34 Ca 0.00 0.00 -0.21 0.00 -0.39 0.00 0.00 57.03 56.43 1cx1 h ASP 34 Cb 0.00 -0.15 -0.15 0.00 0.68 0.00 0.00 39.33 39.71 1cx1 h ASP 34 CO 0.00 0.49 -0.32 0.61 -1.61 0.00 0.00 179.24 178.41 1cx1 n GLY 35 N -1.29 1.36 3.61 -0.78 0.00 -1.26 -4.89 105.19 101.94 1cx1 n GLY 35 Ca 0.07 -0.12 -0.08 0.00 0.00 0.00 0.00 46.02 45.89 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 0.18 0.43 -0.12 1.61 1.70 -1.25 -4.48 118.95 117.01 1cx1 s ARG 36 Ca 0.19 0.23 -0.02 0.00 -0.47 0.00 0.00 55.73 55.66 1cx1 s ARG 36 Cb 0.39 0.20 -0.03 0.00 -0.57 0.00 0.00 34.95 34.95 1cx1 s ARG 36 CO -0.09 -0.11 -0.05 1.41 -1.08 0.00 0.00 175.30 175.38 1cx1 s MET 37 N -0.62 3.33 0.37 3.89 -2.45 0.23 0.14 119.30 124.19 1cx1 s MET 37 Ca 0.02 -0.53 0.04 0.00 -1.25 0.00 0.00 55.69 53.97 1cx1 s MET 37 Cb -0.02 -2.79 -0.05 0.00 1.25 0.00 0.00 34.83 33.22 1cx1 s MET 37 CO -0.04 0.41 0.08 0.00 1.05 0.00 0.00 175.02 176.51 1cx1 s VAL 39 N -3.21 0.03 -0.56 0.00 -7.23 -0.74 -2.78 120.40 105.91 1cx1 s VAL 39 Ca 0.29 -0.24 -0.27 0.00 -1.81 0.00 0.00 61.98 59.95 1cx1 s VAL 39 Cb 0.06 -0.53 0.03 0.00 0.56 0.00 0.00 36.38 36.50 1cx1 s VAL 39 CO 0.14 -0.13 1.09 -1.81 -0.31 0.00 0.00 175.10 174.07 1cx1 s ASP 40 N -0.57 6.42 -0.84 4.85 1.11 -1.26 -3.17 116.67 123.21 1cx1 s ASP 40 Ca -0.07 -0.03 0.00 0.00 0.18 0.00 0.00 52.55 52.64 1cx1 s ASP 40 Cb -0.04 -2.51 0.21 0.00 1.07 0.00 0.00 42.92 41.65 1cx1 s ASP 40 CO 0.02 -1.36 0.70 -0.76 1.18 0.00 0.00 175.17 174.96 1cx1 s LEU 41 N 4.51 5.33 0.00 1.23 2.01 -0.30 -4.07 118.68 127.39 1cx1 s LEU 41 Ca 0.39 -3.79 0.00 0.00 0.01 0.00 0.00 54.13 50.74 1cx1 s LEU 41 Cb -0.09 -1.83 0.00 0.00 0.01 0.00 0.00 46.19 44.28 1cx1 s LEU 41 CO 0.24 -0.15 0.00 -0.81 1.01 0.00 0.00 176.35 176.64 1cx1 n PRO 42 N 2.19 1.40 -4.09 1.29 -0.04 -1.24 0.15 135.00 134.65 1cx1 n PRO 42 Ca 0.21 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.35 1cx1 n PRO 42 Cb 0.36 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.67 1cx1 n PRO 42 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1cx1 s GLY 43 N -0.79 1.49 0.00 0.55 0.00 -1.26 -3.30 107.32 104.01 1cx1 s GLY 43 Ca 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 44.72 43.27 1cx1 s GLY 43 CO 0.00 0.44 0.00 0.61 0.00 0.00 0.00 173.10 174.15 1cx1 n GLY 44 N 4.55 0.06 3.66 0.20 0.00 -1.26 -4.49 105.19 107.91 1cx1 n GLY 44 Ca -0.18 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.08 4.08 -0.93 1.61 -0.21 -1.26 -4.58 119.66 117.28 1cx1 s GLN 45 Ca 0.00 -0.27 -0.00 0.00 0.02 0.00 0.00 55.36 55.11 1cx1 s GLN 45 Cb 0.00 -3.53 0.31 0.00 1.00 0.00 0.00 33.01 30.78 1cx1 s GLN 45 CO 0.00 0.08 1.40 0.41 -2.12 0.00 0.00 175.29 175.05 1cx1 n GLY 46 N 4.24 5.46 2.71 3.09 0.00 -1.26 -1.10 105.19 118.32 1cx1 n GLY 46 Ca -0.15 -2.68 -0.19 0.00 0.00 0.00 0.00 46.02 43.00 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 -2.00 1.85 0.00 1.61 2.20 -1.26 -4.99 114.94 112.35 1cx1 s ASN 47 Ca 0.37 -1.15 0.00 0.00 -0.94 0.00 0.00 52.86 51.14 1cx1 s ASN 47 Cb 0.14 0.35 0.00 0.00 -2.00 0.00 0.00 41.25 39.74 1cx1 s ASN 47 CO -0.01 -0.35 0.11 -2.65 -2.94 0.00 0.00 177.10 171.25 1cx1 n PRO 48 N 4.91 0.00 -1.54 3.55 -0.02 -1.26 -0.83 135.00 139.81 1cx1 n PRO 48 Ca 0.02 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.47 1cx1 n PRO 48 Cb 0.45 -1.26 0.09 0.00 -0.02 0.00 0.00 33.50 32.76 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 -0.47 0.94 -2.52 6.00 4.27 -1.26 -4.45 117.44 119.96 1cx1 n TRP 49 Ca 0.00 -1.58 -0.07 0.00 -3.89 0.00 0.00 57.50 51.96 1cx1 n TRP 49 Cb 0.00 -0.25 0.04 0.00 -1.36 0.00 0.00 31.31 29.74 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 2.61 0.00 -0.67 8.00 -0.01 -4.97 116.55 120.93 1cx1 n ASP 50 Ca 0.21 -2.63 0.00 0.00 0.71 0.00 0.00 54.79 53.08 1cx1 n ASP 50 Cb 0.88 -0.43 0.00 0.00 -0.02 0.00 0.00 41.12 41.56 1cx1 n ASP 50 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cx1 n ALA 51 N -0.58 0.00 -3.79 2.24 0.00 -1.04 -3.96 120.51 113.38 1cx1 n ALA 51 Ca 0.19 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.63 1cx1 n ALA 51 Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.32 1cx1 n ALA 51 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1cx1 s GLY 52 N 0.00 -0.18 0.57 0.00 0.00 -1.13 -3.48 107.32 103.10 1cx1 s GLY 52 Ca 0.00 0.17 0.03 0.00 0.00 0.00 0.00 44.72 44.92 1cx1 s GLY 52 CO 0.00 1.75 0.78 1.04 0.00 0.00 0.00 173.10 176.66 1cx1 n LEU 53 N -0.62 0.00 -3.54 0.66 4.77 -1.00 -2.75 117.00 114.52 1cx1 n LEU 53 Ca -0.04 -1.88 -0.09 0.00 -0.03 0.00 0.00 56.01 53.97 1cx1 n LEU 53 Cb 0.61 -0.48 -0.02 0.00 -2.33 0.00 0.00 43.42 41.20 1cx1 n LEU 53 CO 0.15 -0.83 0.53 -0.69 -1.33 0.00 0.00 177.39 175.23 1cx1 s VAL 54 N -2.36 0.00 0.00 4.08 1.01 -0.12 -2.22 120.40 120.80 1cx1 s VAL 54 Ca 0.54 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.32 1cx1 s VAL 54 Cb -0.03 -1.23 0.00 0.00 0.00 0.00 0.00 36.38 35.12 1cx1 s VAL 54 CO 0.35 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.45 1cx1 n TYR 55 N -0.36 0.00 -2.25 5.22 9.36 -1.00 -0.68 117.16 127.45 1cx1 n TYR 55 Ca -0.12 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.10 1cx1 n TYR 55 Cb 0.63 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.34 1cx1 n TYR 55 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1cx1 n ASN 56 N 0.00 0.00 -1.33 2.98 5.03 -1.26 0.20 115.26 120.88 1cx1 n ASN 56 Ca 0.00 -0.81 0.00 0.00 0.87 0.00 0.00 54.58 54.64 1cx1 n ASN 56 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 1cx1 n ASN 56 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1cx1 n GLY 57 N 5.00 -0.34 2.74 7.41 0.00 -1.21 -4.72 105.19 114.08 1cx1 n GLY 57 Ca 0.00 -0.22 -0.08 0.00 0.00 0.00 0.00 46.02 45.72 1cx1 n GLY 57 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1cx1 n VAL 58 N -0.68 0.00 -2.26 1.61 0.31 -1.26 -4.79 118.33 111.26 1cx1 n VAL 58 Ca 0.00 -1.43 -0.43 0.00 -0.01 0.00 0.00 64.34 62.47 1cx1 n VAL 58 Cb 0.24 1.47 -0.02 0.00 -0.91 0.00 0.00 33.84 34.61 1cx1 n VAL 58 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1cx1 s PRO 59 N 0.64 4.22 -0.04 5.55 0.04 -1.26 -4.62 135.00 139.53 1cx1 s PRO 59 Ca 0.31 1.88 0.03 0.00 0.04 0.00 0.00 61.00 63.26 1cx1 s PRO 59 Cb 0.23 -3.83 -0.03 0.00 0.04 0.00 0.00 34.50 30.91 1cx1 s PRO 59 CO -0.23 -0.74 -0.11 0.08 0.04 0.00 0.00 177.00 176.04 1cx1 s VAL 60 N 3.59 3.36 -0.40 -0.36 1.01 -1.14 -4.99 120.40 121.46 1cx1 s VAL 60 Ca 0.62 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.91 1cx1 s VAL 60 Cb -0.27 -2.37 0.11 0.00 0.00 0.00 0.00 36.38 33.85 1cx1 s VAL 60 CO 0.21 0.53 0.15 -0.83 0.00 0.00 0.00 175.10 175.17 1cx1 s GLY 61 N -0.95 2.02 0.01 4.51 0.00 -1.26 -1.51 107.32 110.15 1cx1 s GLY 61 Ca 0.13 -2.62 -0.30 0.00 0.00 0.00 0.00 44.72 41.92 1cx1 s GLY 61 CO 0.03 0.99 0.80 -2.21 0.00 0.00 0.00 173.10 172.71 1cx1 n GLU 62 N 4.30 0.00 0.00 2.90 2.13 -1.26 -1.08 120.64 127.63 1cx1 n GLU 62 Ca 0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.83 1cx1 n GLU 62 Cb 0.41 -1.14 0.00 0.00 0.27 0.00 0.00 31.44 30.98 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 1.21 1.92 4.03 8.31 0.00 0.65 -4.88 105.19 116.43 1cx1 n GLY 63 Ca 0.15 -0.24 -0.19 0.00 0.00 0.00 0.00 46.02 45.74 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 2.35 0.02 1.61 2.02 -0.24 -4.71 118.70 119.75 1cx1 s GLU 64 Ca 0.00 -1.61 0.05 0.00 0.02 0.00 0.00 54.97 53.43 1cx1 s GLU 64 Cb 0.00 -2.66 -0.02 0.00 0.10 0.00 0.00 34.13 31.55 1cx1 s GLU 64 CO 0.00 -0.82 -0.16 -1.12 0.02 0.00 0.00 175.26 173.19 1cx1 s SER 65 N -4.64 1.85 0.55 -0.19 0.01 -1.26 0.44 113.70 110.45 1cx1 s SER 65 Ca 0.61 -0.41 0.04 0.00 1.31 0.00 0.00 55.95 57.50 1cx1 s SER 65 Cb -0.06 -0.15 0.04 0.00 0.21 0.00 0.00 66.02 66.05 1cx1 s SER 65 CO 0.39 0.10 0.30 -1.22 0.41 0.00 0.00 173.24 173.22 1cx1 n TYR 66 N 2.14 -0.06 -3.71 2.43 4.02 -1.02 -4.54 117.16 116.42 1cx1 n TYR 66 Ca -0.17 -2.41 -0.12 0.00 -0.01 0.00 0.00 57.90 55.19 1cx1 n TYR 66 Cb 0.54 -0.42 -0.10 0.00 -0.02 0.00 0.00 39.34 39.35 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 -2.79 -0.01 -0.16 -0.72 1.01 -0.97 -2.68 120.40 114.08 1cx1 s VAL 67 Ca 0.22 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.24 1cx1 s VAL 67 Cb -0.02 -0.65 0.02 0.00 0.00 0.00 0.00 36.38 35.73 1cx1 s VAL 67 CO 0.14 0.01 -0.20 -0.22 0.00 0.00 0.00 175.10 174.84 1cx1 s LEU 68 N 0.57 2.05 -0.79 3.92 2.96 -1.13 -2.26 118.68 124.00 1cx1 s LEU 68 Ca -0.03 -0.61 -0.04 0.00 -0.22 0.00 0.00 54.13 53.24 1cx1 s LEU 68 Cb -0.04 -1.41 0.20 0.00 0.50 0.00 0.00 46.19 45.43 1cx1 s LEU 68 CO -0.03 0.01 0.66 -0.94 -1.32 0.00 0.00 176.35 174.73 1cx1 s SER 69 N 1.18 5.85 0.06 3.68 1.04 0.09 -2.75 113.70 122.86 1cx1 s SER 69 Ca 0.01 -3.26 -0.12 0.00 0.48 0.00 0.00 55.95 53.07 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 -0.31 0.41 0.72 0.98 0.00 0.00 173.24 174.95 1cx1 s PHE 70 N -0.67 3.63 -0.23 5.02 -0.71 -1.13 -2.91 117.98 120.99 1cx1 s PHE 70 Ca 0.22 0.87 -0.17 0.00 -1.04 0.00 0.00 56.93 56.81 1cx1 s PHE 70 Cb -0.13 -2.21 -0.03 0.00 -1.21 0.00 0.00 43.02 39.43 1cx1 s PHE 70 CO -0.08 0.55 0.45 0.95 -1.34 0.00 0.00 175.22 175.75 1cx1 s THR 71 N -1.31 5.14 -0.15 -4.49 -4.23 -0.31 -2.00 115.64 108.30 1cx1 s THR 71 Ca 0.31 0.79 -0.29 0.00 -1.18 0.00 0.00 61.69 61.32 1cx1 s THR 71 Cb -0.15 -3.78 0.09 0.00 1.34 0.00 0.00 72.50 70.01 1cx1 s THR 71 CO 0.17 0.18 0.82 0.00 -0.54 0.00 0.00 174.62 175.24 1cx1 s ALA 72 N 1.75 -1.84 -0.04 3.99 0.00 -1.18 -3.65 121.76 120.80 1cx1 s ALA 72 Ca 0.20 1.58 0.04 0.00 0.00 0.00 0.00 51.96 53.79 1cx1 s ALA 72 Cb -0.15 -0.57 -0.00 0.00 0.00 0.00 0.00 23.12 22.39 1cx1 s ALA 72 CO 0.09 -0.33 -0.17 -1.54 0.00 0.00 0.00 175.76 173.81 1cx1 s SER 73 N -0.73 2.10 -0.28 0.00 1.04 -0.99 -4.03 113.70 110.81 1cx1 s SER 73 Ca -0.05 -0.34 -0.07 0.00 0.48 0.00 0.00 55.95 55.97 1cx1 s SER 73 Cb -0.02 -0.54 -0.00 0.00 0.10 0.00 0.00 66.02 65.56 1cx1 s SER 73 CO 0.04 0.16 0.08 0.00 0.98 0.00 0.00 173.24 174.49 1cx1 s ALA 74 N -0.01 3.09 -0.11 5.32 0.00 -1.02 -2.98 121.76 126.05 1cx1 s ALA 74 Ca -0.02 -1.34 -0.01 0.00 0.00 0.00 0.00 51.96 50.59 1cx1 s ALA 74 Cb -0.11 -2.12 0.03 0.00 0.00 0.00 0.00 23.12 20.92 1cx1 s ALA 74 CO 0.02 -0.76 -0.05 0.95 0.00 0.00 0.00 175.76 175.91 1cx1 s THR 75 N 1.54 0.85 0.00 0.00 -4.23 -1.18 -1.79 115.64 110.82 1cx1 s THR 75 Ca 0.04 -0.23 0.00 0.00 -1.18 0.00 0.00 61.69 60.32 1cx1 s THR 75 Cb -0.16 -0.94 0.00 0.00 1.34 0.00 0.00 72.50 72.74 1cx1 s THR 75 CO 0.03 0.29 0.00 -2.65 -0.54 0.00 0.00 174.62 171.75 1cx1 n PRO 76 N 4.99 3.09 -3.95 3.99 -0.02 -1.26 -1.86 135.00 139.98 1cx1 n PRO 76 Ca -0.11 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.15 1cx1 n PRO 76 Cb 0.50 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.95 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 -1.69 6.32 0.00 2.55 1.11 -1.25 -4.50 116.67 119.21 1cx1 s ASP 77 Ca 0.00 0.09 0.00 0.00 0.18 0.00 0.00 52.55 52.82 1cx1 s ASP 77 Cb 0.00 -1.87 0.00 0.00 1.07 0.00 0.00 42.92 42.12 1cx1 s ASP 77 CO 0.00 -0.06 0.00 0.23 1.18 0.00 0.00 175.17 176.52 1cx1 n MET 78 N -1.29 0.00 -2.58 8.23 2.81 -1.14 -5.04 117.12 118.11 1cx1 n MET 78 Ca -0.09 0.00 -0.35 0.00 -1.81 0.00 0.00 57.70 55.46 1cx1 n MET 78 Cb 0.57 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 33.03 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 3.98 0.41 0.03 0.04 -1.26 -3.10 135.00 133.09 1cx1 s PRO 79 Ca 0.00 1.38 0.05 0.00 0.04 0.00 0.00 61.00 62.47 1cx1 s PRO 79 Cb 0.00 -2.26 -0.06 0.00 0.04 0.00 0.00 34.50 32.22 1cx1 s PRO 79 CO 0.00 -0.28 0.03 0.14 0.04 0.00 0.00 177.00 176.93 1cx1 s VAL 80 N -1.90 1.53 -0.34 -0.36 -7.23 -0.02 -4.92 120.40 107.16 1cx1 s VAL 80 Ca 0.63 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.80 1cx1 s VAL 80 Cb -0.17 -2.75 0.12 0.00 0.56 0.00 0.00 36.38 34.14 1cx1 s VAL 80 CO 0.21 0.00 0.16 -0.60 -0.31 0.00 0.00 175.10 174.56 1cx1 s ARG 81 N -3.79 0.70 0.03 4.82 3.52 -1.17 -3.05 118.95 120.02 1cx1 s ARG 81 Ca 0.29 -1.23 -0.01 0.00 -0.13 0.00 0.00 55.73 54.65 1cx1 s ARG 81 Cb 0.08 -1.75 -0.04 0.00 -1.56 0.00 0.00 34.95 31.68 1cx1 s ARG 81 CO 0.14 -1.08 0.20 0.14 -0.81 0.00 0.00 175.30 173.89 1cx1 s VAL 82 N 1.31 5.41 0.03 7.11 -7.23 -1.01 -2.72 120.40 123.29 1cx1 s VAL 82 Ca 0.13 -0.27 -0.00 0.00 -1.81 0.00 0.00 61.98 60.03 1cx1 s VAL 82 Cb -0.20 -3.59 -0.03 0.00 0.56 0.00 0.00 36.38 33.13 1cx1 s VAL 82 CO -0.16 0.22 -0.03 -1.48 -0.31 0.00 0.00 175.10 173.34 1cx1 s LEU 83 N -2.25 2.32 0.07 1.32 0.05 -1.13 -0.98 118.68 118.09 1cx1 s LEU 83 Ca 0.32 -0.65 -0.12 0.00 0.05 0.00 0.00 54.13 53.73 1cx1 s LEU 83 Cb -0.13 0.11 0.01 0.00 -2.05 0.00 0.00 46.19 44.14 1cx1 s LEU 83 CO 0.24 -0.38 0.27 -0.69 -0.55 0.00 0.00 176.35 175.23 1cx1 s VAL 84 N -2.18 0.11 -0.96 1.48 1.01 -1.02 -2.60 120.40 116.24 1cx1 s VAL 84 Ca -0.09 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.02 1cx1 s VAL 84 Cb -0.05 -1.12 0.00 0.00 0.00 0.00 0.00 36.38 35.21 1cx1 s VAL 84 CO -0.04 -0.48 0.00 0.61 0.00 0.00 0.00 175.10 175.19 1cx1 n GLY 85 N 0.21 -0.74 2.53 4.51 0.00 -1.16 -2.66 105.19 107.88 1cx1 n GLY 85 Ca -0.17 -0.30 -0.16 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.03 -3.25 1.61 0.28 -1.26 -1.86 120.64 116.12 1cx1 n GLU 86 Ca 0.00 -1.70 -0.25 0.00 -0.16 0.00 0.00 57.16 55.05 1cx1 n GLU 86 Cb 0.00 -0.51 -0.06 0.00 1.43 0.00 0.00 31.44 32.29 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 -0.12 4.44 0.00 -1.84 0.00 -1.24 -4.52 105.19 101.92 1cx1 n GLY 87 Ca 0.11 -2.41 0.00 0.00 0.00 0.00 0.00 46.02 43.72 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 0.69 2.15 3.73 -0.02 0.00 -1.26 -4.40 105.19 106.08 1cx1 n GLY 88 Ca 0.28 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 44.25 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 0.45 2.18 2.69 -0.02 0.00 -1.26 -4.41 105.19 104.82 1cx1 n GLY 89 Ca 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 -3.11 -0.13 4.61 0.00 -1.26 -4.98 120.51 115.64 1cx1 n ALA 90 Ca 0.00 -0.45 0.21 0.00 0.00 0.00 0.00 53.44 53.20 1cx1 n ALA 90 Cb 0.00 -2.76 0.33 0.00 0.00 0.00 0.00 19.45 17.02 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 1.99 0.00 -1.72 0.00 4.01 -1.26 -4.44 117.16 115.74 1cx1 n TYR 91 Ca 0.07 0.00 -0.64 0.00 -0.16 0.00 0.00 57.90 57.17 1cx1 n TYR 91 Cb 0.66 -0.20 -0.09 0.00 -0.31 0.00 0.00 39.34 39.41 1cx1 n TYR 91 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1cx1 n ARG 92 N -2.86 0.42 -4.59 -0.72 1.74 -1.26 -4.79 116.66 104.60 1cx1 n ARG 92 Ca 0.18 0.15 -0.27 0.00 -0.77 0.00 0.00 57.85 57.14 1cx1 n ARG 92 Cb 1.26 -1.73 -0.11 0.00 -1.02 0.00 0.00 32.46 30.86 1cx1 n ARG 92 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 1cx1 s THR 93 N 3.36 1.91 0.00 0.55 -1.32 -1.26 -4.55 115.64 114.33 1cx1 s THR 93 Ca 1.03 -2.02 0.00 0.00 -1.21 0.00 0.00 61.69 59.49 1cx1 s THR 93 Cb -1.34 -2.93 0.00 0.00 -1.51 0.00 0.00 72.50 66.72 1cx1 s THR 93 CO 0.75 -0.03 0.00 0.00 -2.21 0.00 0.00 174.62 173.14 1cx1 n ALA 94 N -0.91 1.60 -0.70 11.08 0.00 -1.25 -4.69 120.51 125.65 1cx1 n ALA 94 Ca -0.05 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.23 1cx1 n ALA 94 Cb 0.67 0.00 0.06 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 -1.03 1.68 -2.37 0.00 -0.00 -1.09 -4.87 117.46 109.77 1cx1 n PHE 95 Ca 0.00 -1.80 -0.39 0.00 -0.00 0.00 0.00 57.45 55.25 1cx1 n PHE 95 Cb 0.00 -0.88 -0.03 0.00 -0.00 0.00 0.00 39.48 38.56 1cx1 n PHE 95 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 1cx1 s GLU 96 N -1.93 3.03 -0.11 -4.13 2.02 -1.26 -2.43 118.70 113.89 1cx1 s GLU 96 Ca 0.33 -0.11 -0.03 0.00 0.02 0.00 0.00 54.97 55.18 1cx1 s GLU 96 Cb 0.26 -4.44 -0.03 0.00 0.10 0.00 0.00 34.13 30.01 1cx1 s GLU 96 CO 0.01 -2.41 0.02 -1.14 0.02 0.00 0.00 175.26 171.76 1cx1 s GLN 97 N 6.11 3.26 0.00 1.61 2.00 -0.15 -4.96 119.66 127.53 1cx1 s GLN 97 Ca 0.48 -0.39 0.00 0.00 -2.00 0.00 0.00 55.36 53.45 1cx1 s GLN 97 Cb -0.08 -2.91 0.00 0.00 0.80 0.00 0.00 33.01 30.82 1cx1 s GLN 97 CO 0.12 0.58 0.08 0.41 -0.50 0.00 0.00 175.29 175.99 1cx1 n GLY 98 N 2.52 0.60 2.68 2.59 0.00 -1.26 -2.41 105.19 109.92 1cx1 n GLY 98 Ca -0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.00 3.75 -4.11 1.61 7.64 -1.25 -4.67 113.62 116.58 1cx1 n SER 99 Ca 0.00 -3.51 -0.36 0.00 1.01 0.00 0.00 58.87 56.01 1cx1 n SER 99 Cb 0.20 -0.60 -0.11 0.00 -1.01 0.00 0.00 64.21 62.69 1cx1 n SER 99 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1cx1 s ALA 100 N -2.99 3.32 -0.10 -0.43 0.00 -1.17 -4.95 121.76 115.44 1cx1 s ALA 100 Ca 0.45 -2.81 -0.29 0.00 0.00 0.00 0.00 51.96 49.30 1cx1 s ALA 100 Cb 0.24 -2.51 -0.01 0.00 0.00 0.00 0.00 23.12 20.84 1cx1 s ALA 100 CO -0.10 -1.92 0.99 -1.25 0.00 0.00 0.00 175.76 173.49 1cx1 s PRO 101 N 0.68 4.43 0.05 0.00 0.04 -1.26 -0.84 135.00 138.10 1cx1 s PRO 101 Ca 0.11 1.36 0.04 0.00 0.04 0.00 0.00 61.00 62.55 1cx1 s PRO 101 Cb -0.22 -3.54 -0.03 0.00 0.04 0.00 0.00 34.50 30.76 1cx1 s PRO 101 CO -0.04 -0.29 -0.11 -0.51 0.04 0.00 0.00 177.00 176.10 1cx1 s LEU 102 N 1.92 2.25 0.00 -3.56 1.43 -1.18 -5.00 118.68 114.54 1cx1 s LEU 102 Ca 0.48 -0.55 0.03 0.00 -1.03 0.00 0.00 54.13 53.06 1cx1 s LEU 102 Cb -0.18 -0.34 -0.01 0.00 0.03 0.00 0.00 46.19 45.68 1cx1 s LEU 102 CO 0.18 -0.12 0.12 1.07 0.23 0.00 0.00 176.35 177.83 1cx1 n THR 103 N 1.49 0.00 -0.05 5.49 5.66 -1.25 -2.88 114.28 122.74 1cx1 n THR 103 Ca -0.21 -1.23 0.00 0.00 -3.05 0.00 0.00 64.05 59.56 1cx1 n THR 103 Cb 0.55 0.55 0.00 0.00 -1.55 0.00 0.00 70.33 69.88 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 0.05 0.74 2.91 1.09 0.00 -0.74 -2.45 105.19 106.79 1cx1 n GLY 104 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 1cx1 n GLY 104 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1cx1 n GLU 105 N 1.78 2.16 -1.68 1.61 4.07 -1.26 -4.99 120.64 122.33 1cx1 n GLU 105 Ca 0.00 -4.51 -0.59 0.00 -0.06 0.00 0.00 57.16 52.00 1cx1 n GLU 105 Cb 0.08 -2.32 -0.08 0.00 -0.06 0.00 0.00 31.44 29.06 1cx1 n GLU 105 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 1cx1 n PRO 106 N 1.91 0.91 -3.64 5.31 -0.02 -1.26 -4.88 135.00 133.33 1cx1 n PRO 106 Ca 0.22 0.33 0.01 0.00 -2.02 0.00 0.00 63.50 62.03 1cx1 n PRO 106 Cb 0.36 -2.00 -0.01 0.00 -0.02 0.00 0.00 33.50 31.83 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 3.83 -2.15 0.07 3.55 0.00 -1.26 -5.02 121.76 120.78 1cx1 s ALA 107 Ca 1.01 0.64 -0.17 0.00 0.00 0.00 0.00 51.96 53.45 1cx1 s ALA 107 Cb -1.15 0.39 -0.06 0.00 0.00 0.00 0.00 23.12 22.30 1cx1 s ALA 107 CO 0.68 -1.04 0.51 0.95 0.00 0.00 0.00 175.76 176.86 1cx1 s THR 108 N -2.54 4.86 -0.09 0.00 -4.23 -1.26 -3.09 115.64 109.29 1cx1 s THR 108 Ca 0.14 1.00 0.01 0.00 -1.18 0.00 0.00 61.69 61.66 1cx1 s THR 108 Cb 0.04 -3.80 -0.03 0.00 1.34 0.00 0.00 72.50 70.05 1cx1 s THR 108 CO -0.03 0.49 -0.09 -0.13 -0.54 0.00 0.00 174.62 174.32 1cx1 s ARG 109 N -1.30 2.92 -0.35 3.99 3.00 -0.85 -4.88 118.95 121.49 1cx1 s ARG 109 Ca 0.29 -0.59 -0.05 0.00 0.00 0.00 0.00 55.73 55.38 1cx1 s ARG 109 Cb -0.18 -2.60 0.06 0.00 0.00 0.00 0.00 34.95 32.24 1cx1 s ARG 109 CO 0.17 0.53 0.12 -1.21 0.00 0.00 0.00 175.30 174.91 1cx1 s GLU 110 N -0.45 2.45 -0.33 3.54 8.01 -1.25 -2.83 118.70 127.85 1cx1 s GLU 110 Ca 0.06 -1.36 -0.06 0.00 0.01 0.00 0.00 54.97 53.62 1cx1 s GLU 110 Cb -0.12 -3.45 0.04 0.00 -4.31 0.00 0.00 34.13 26.28 1cx1 s GLU 110 CO 0.02 -0.77 0.09 0.71 0.01 0.00 0.00 175.26 175.32 1cx1 s TYR 111 N 1.32 3.24 0.14 1.61 2.02 -1.11 -4.87 117.35 119.69 1cx1 s TYR 111 Ca -0.00 -1.40 0.05 0.00 -0.37 0.00 0.00 57.07 55.34 1cx1 s TYR 111 Cb -0.21 -2.26 -0.04 0.00 -0.40 0.00 0.00 41.96 39.06 1cx1 s TYR 111 CO 0.00 -0.72 0.10 0.00 -1.57 0.00 0.00 175.55 173.37 1cx1 s ALA 112 N 1.40 3.53 0.26 3.71 0.00 -1.26 -2.85 121.76 126.55 1cx1 s ALA 112 Ca -0.01 -1.16 0.01 0.00 0.00 0.00 0.00 51.96 50.80 1cx1 s ALA 112 Cb -0.19 -1.35 -0.03 0.00 0.00 0.00 0.00 23.12 21.55 1cx1 s ALA 112 CO 0.02 0.58 0.22 -0.59 0.00 0.00 0.00 175.76 176.00 1cx1 s PHE 113 N -1.62 1.33 -0.38 0.00 -0.71 -1.09 -4.95 117.98 110.56 1cx1 s PHE 113 Ca 0.30 -1.44 -0.13 0.00 -1.04 0.00 0.00 56.93 54.61 1cx1 s PHE 113 Cb -0.11 -0.55 0.01 0.00 -1.21 0.00 0.00 43.02 41.17 1cx1 s PHE 113 CO 0.22 -0.77 0.26 0.95 -1.34 0.00 0.00 175.22 174.54 1cx1 s THR 114 N -3.83 5.06 -0.18 -4.49 -4.23 -1.26 -2.44 115.64 104.26 1cx1 s THR 114 Ca 0.38 -0.61 -0.42 0.00 -1.18 0.00 0.00 61.69 59.86 1cx1 s THR 114 Cb 0.05 -3.76 -0.20 0.00 1.34 0.00 0.00 72.50 69.93 1cx1 s THR 114 CO 0.18 -0.21 1.31 -0.24 -0.54 0.00 0.00 174.62 175.12 1cx1 n SER 115 N 5.10 0.67 0.00 3.99 2.88 1.51 -4.77 113.62 122.99 1cx1 n SER 115 Ca -0.12 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.59 1cx1 n SER 115 Cb 0.47 -0.94 0.00 0.00 -0.75 0.00 0.00 64.21 63.00 1cx1 n SER 115 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1cx1 n ASN 116 N 2.65 4.64 -4.07 -3.46 6.94 -1.26 -0.25 115.26 120.45 1cx1 n ASN 116 Ca 0.24 0.00 -0.30 0.00 -0.02 0.00 0.00 54.58 54.50 1cx1 n ASN 116 Cb 0.04 0.44 -0.17 0.00 -2.36 0.00 0.00 39.78 37.74 1cx1 n ASN 116 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1cx1 s LEU 117 N -3.89 1.79 -0.13 -4.53 2.01 -1.26 -4.75 118.68 107.93 1cx1 s LEU 117 Ca 0.00 -0.48 -0.29 0.00 0.01 0.00 0.00 54.13 53.37 1cx1 s LEU 117 Cb 0.00 -1.19 -0.05 0.00 0.01 0.00 0.00 46.19 44.96 1cx1 s LEU 117 CO 0.00 0.01 1.80 0.42 1.01 0.00 0.00 176.35 179.58 1cx1 s THR 118 N 1.09 3.42 -0.67 5.49 -4.23 -1.26 -4.17 115.64 115.31 1cx1 s THR 118 Ca -0.03 0.48 0.05 0.00 -1.18 0.00 0.00 61.69 61.01 1cx1 s THR 118 Cb -0.14 -3.40 0.17 0.00 1.34 0.00 0.00 72.50 70.47 1cx1 s THR 118 CO -0.04 -0.14 0.49 0.49 -0.54 0.00 0.00 174.62 174.88 1cx1 n PHE 119 N 8.51 2.78 -0.56 3.99 3.72 -0.57 -4.94 117.46 130.39 1cx1 n PHE 119 Ca 0.20 -4.19 -0.30 0.00 -0.05 0.00 0.00 57.45 53.11 1cx1 n PHE 119 Cb 0.44 -0.52 0.22 0.00 -0.94 0.00 0.00 39.48 38.68 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 2.01 -2.10 0.15 -1.08 -0.02 -1.26 -2.90 135.00 129.79 1cx1 n PRO 120 Ca 0.22 -0.59 0.13 0.00 -2.02 0.00 0.00 63.50 61.23 1cx1 n PRO 120 Cb 0.37 -1.99 0.29 0.00 -0.02 0.00 0.00 33.50 32.15 1cx1 n PRO 120 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1cx1 h PRO 121 N -2.44 0.00 -5.84 0.52 0.13 -1.92 -3.41 132.00 119.03 1cx1 h PRO 121 Ca -0.58 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 63.96 1cx1 h PRO 121 Cb 1.34 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.41 1cx1 h PRO 121 CO 0.45 0.00 -0.37 0.16 -0.23 0.00 0.00 178.00 178.01 1cx1 s ASP 122 N -5.17 4.56 0.00 1.44 1.47 -1.26 -3.88 116.67 113.82 1cx1 s ASP 122 Ca 0.09 -1.24 0.00 0.00 1.18 0.00 0.00 52.55 52.58 1cx1 s ASP 122 Cb 0.10 0.22 0.00 0.00 -0.34 0.00 0.00 42.92 42.90 1cx1 s ASP 122 CO 0.64 -0.95 0.00 0.61 0.68 0.00 0.00 175.17 176.14 1cx1 n GLY 123 N -1.60 -0.96 0.00 2.12 0.00 -1.26 -4.66 105.19 98.83 1cx1 n GLY 123 Ca -0.04 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 44.01 1cx1 n GLY 123 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1cx1 n ASP 124 N 0.00 0.00 -4.03 1.61 5.75 -1.26 -4.63 116.55 113.99 1cx1 n ASP 124 Ca 0.00 0.68 -0.11 0.00 -0.01 0.00 0.00 54.79 55.35 1cx1 n ASP 124 Cb 0.00 -0.28 -0.11 0.00 -1.03 0.00 0.00 41.12 39.70 1cx1 n ASP 124 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1cx1 s ALA 125 N -3.39 0.40 1.00 2.12 0.00 -1.26 -4.96 121.76 115.67 1cx1 s ALA 125 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.25 1cx1 s ALA 125 Cb 0.00 0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.21 1cx1 s ALA 125 CO 0.00 -0.08 0.00 -0.35 0.00 0.00 0.00 175.76 175.33 1cx1 n PRO 126 N 1.47 1.30 -0.96 0.00 -0.04 -1.25 -4.52 135.00 130.99 1cx1 n PRO 126 Ca -0.23 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 62.90 1cx1 n PRO 126 Cb 0.55 0.00 0.13 0.00 -0.04 0.00 0.00 33.50 34.14 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 2.96 -0.47 3.12 0.55 0.00 -1.26 -3.65 105.19 106.44 1cx1 n GLY 127 Ca 0.00 -0.57 -0.11 0.00 0.00 0.00 0.00 46.02 45.33 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 -4.09 0.49 -0.01 1.61 -0.44 -0.78 -3.30 119.66 113.15 1cx1 s GLN 128 Ca 0.69 -0.34 -0.16 0.00 -2.50 0.00 0.00 55.36 53.05 1cx1 s GLN 128 Cb -0.27 0.21 0.03 0.00 -1.64 0.00 0.00 33.01 31.33 1cx1 s GLN 128 CO 0.55 -0.12 0.34 0.08 0.50 0.00 0.00 175.29 176.65 1cx1 s VAL 129 N -1.30 0.06 -0.30 1.34 1.01 0.13 -3.00 120.40 118.34 1cx1 s VAL 129 Ca -0.14 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 61.41 1cx1 s VAL 129 Cb -0.07 -0.70 0.20 0.00 0.00 0.00 0.00 36.38 35.81 1cx1 s VAL 129 CO 0.02 -0.26 0.66 0.00 0.00 0.00 0.00 175.10 175.53 1cx1 s ALA 130 N -1.53 -2.66 -0.24 5.51 0.00 -1.07 -2.39 121.76 119.38 1cx1 s ALA 130 Ca -0.12 1.04 -0.29 0.00 0.00 0.00 0.00 51.96 52.59 1cx1 s ALA 130 Cb -0.04 -2.61 -0.02 0.00 0.00 0.00 0.00 23.12 20.45 1cx1 s ALA 130 CO 0.03 -1.91 1.60 -0.06 0.00 0.00 0.00 175.76 175.43 1cx1 s PHE 131 N 2.76 2.13 -0.17 0.00 0.40 -0.94 -2.82 117.98 119.34 1cx1 s PHE 131 Ca 0.13 0.58 -0.10 0.00 -0.60 0.00 0.00 56.93 56.94 1cx1 s PHE 131 Cb -0.08 -4.00 -0.05 0.00 0.51 0.00 0.00 43.02 39.40 1cx1 s PHE 131 CO -0.24 -2.81 0.16 -1.01 0.70 0.00 0.00 175.22 172.02 1cx1 s HIS 132 N 5.28 3.48 0.00 0.36 3.76 -1.10 -2.39 115.29 124.68 1cx1 s HIS 132 Ca 0.71 0.44 0.00 0.00 -0.15 0.00 0.00 55.06 56.06 1cx1 s HIS 132 Cb -0.24 -2.12 0.00 0.00 1.11 0.00 0.00 32.58 31.33 1cx1 s HIS 132 CO 0.29 0.42 0.00 1.28 -0.85 0.00 0.00 174.74 175.89 1cx1 n LEU 133 N 3.03 1.68 -1.52 0.89 4.32 -1.23 -3.02 117.00 121.16 1cx1 n LEU 133 Ca -0.17 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.82 1cx1 n LEU 133 Cb 0.53 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.33 1cx1 n LEU 133 CO 0.36 0.27 -0.39 0.61 -1.22 0.00 0.00 177.39 177.01 1cx1 n GLY 134 N 2.70 -3.39 0.00 -0.72 0.00 -1.25 -4.73 105.19 97.79 1cx1 n GLY 134 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1cx1 n GLY 134 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1cx1 n LYS 135 N -2.04 3.90 -0.98 1.61 4.01 -0.26 -4.25 118.16 120.14 1cx1 n LYS 135 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1cx1 n LYS 135 Cb 0.28 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.80 1cx1 n LYS 135 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1cx1 n ALA 136 N -3.00 0.00 0.00 7.82 0.00 -0.72 -4.26 120.51 120.35 1cx1 n ALA 136 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1cx1 n ALA 136 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.35 1cx1 n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cx1 n GLY 137 N -2.42 0.00 0.00 0.00 0.00 -1.26 -4.64 105.19 96.87 1cx1 n GLY 137 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.00 -2.00 4.61 0.00 -1.21 -4.96 120.51 116.95 1cx1 n ALA 138 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1cx1 n ALA 138 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1cx1 n ALA 138 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1cx1 n TYR 139 N 0.00 0.00 -4.97 0.00 0.18 0.40 -4.73 117.16 108.04 1cx1 n TYR 139 Ca 0.00 0.00 -0.28 0.00 1.88 0.00 0.00 57.90 59.50 1cx1 n TYR 139 Cb 0.00 0.00 -0.15 0.00 -0.38 0.00 0.00 39.34 38.81 1cx1 n TYR 139 CO 0.00 0.00 0.00 -2.00 -2.08 0.00 0.00 176.86 172.78 1cx1 s GLU 140 N 2.48 1.70 -0.19 -3.48 2.56 -0.78 -1.15 118.70 119.85 1cx1 s GLU 140 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 54.97 54.11 1cx1 s GLU 140 Cb 0.00 -1.71 0.04 0.00 2.00 0.00 0.00 34.13 34.46 1cx1 s GLU 140 CO 0.00 0.46 -0.09 0.12 -0.56 0.00 0.00 175.26 175.19 1cx1 s PHE 141 N -0.61 2.18 -0.34 5.30 5.36 -1.19 -3.11 117.98 125.57 1cx1 s PHE 141 Ca 0.09 -1.43 0.01 0.00 -0.96 0.00 0.00 56.93 54.65 1cx1 s PHE 141 Cb -0.09 -1.53 0.09 0.00 -0.34 0.00 0.00 43.02 41.15 1cx1 s PHE 141 CO 0.00 -0.70 0.05 0.00 -1.46 0.00 0.00 175.22 173.11 1cx1 s ILE 143 N 1.04 2.90 0.00 0.00 2.07 0.12 -2.35 121.20 124.98 1cx1 s ILE 143 Ca 0.05 -1.02 0.00 0.00 -1.41 0.00 0.00 60.65 58.27 1cx1 s ILE 143 Cb -0.20 -2.19 0.00 0.00 0.13 0.00 0.00 42.46 40.19 1cx1 s ILE 143 CO -0.06 0.42 0.05 -1.54 -1.91 0.00 0.00 174.94 171.90 1cx1 n SER 144 N 1.80 0.10 -3.67 4.50 3.41 -1.24 -0.60 113.62 117.91 1cx1 n SER 144 Ca -0.16 -0.89 -0.13 0.00 -0.26 0.00 0.00 58.87 57.43 1cx1 n SER 144 Cb 0.52 0.01 -0.07 0.00 -0.26 0.00 0.00 64.21 64.42 1cx1 n SER 144 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1cx1 s GLN 145 N -0.01 0.89 -0.30 4.33 -0.21 -1.26 -1.74 119.66 121.36 1cx1 s GLN 145 Ca 0.00 -0.31 -0.11 0.00 0.02 0.00 0.00 55.36 54.97 1cx1 s GLN 145 Cb 0.00 0.40 0.13 0.00 1.00 0.00 0.00 33.01 34.54 1cx1 s GLN 145 CO 0.00 -0.30 0.66 0.08 -2.12 0.00 0.00 175.29 173.61 1cx1 s VAL 146 N -2.25 -0.88 0.27 1.09 1.01 -1.26 -1.16 120.40 117.22 1cx1 s VAL 146 Ca -0.07 0.00 -0.12 0.00 0.00 0.00 0.00 61.98 61.80 1cx1 s VAL 146 Cb -0.01 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.37 1cx1 s VAL 146 CO -0.01 0.00 0.50 -0.94 0.00 0.00 0.00 175.10 174.66 1cx1 s SER 147 N 2.75 0.05 0.00 3.32 1.04 -1.14 -4.32 113.70 115.39 1cx1 s SER 147 Ca -0.06 -1.01 0.00 0.00 0.48 0.00 0.00 55.95 55.35 1cx1 s SER 147 Cb -0.11 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1cx1 s SER 147 CO -0.19 -1.20 0.00 0.00 0.98 0.00 0.00 173.24 172.83 1cx1 n LEU 148 N -0.42 0.00 0.00 2.42 -0.00 -1.26 -0.73 117.00 117.01 1cx1 n LEU 148 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.99 1cx1 n LEU 148 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.04 1cx1 n LEU 148 CO 0.23 0.00 0.00 1.07 -0.00 0.00 0.00 177.39 178.69 1cx1 n THR 149 N 0.00 0.00 0.00 1.47 5.66 -0.96 -4.36 114.28 116.09 1cx1 n THR 149 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1cx1 n THR 149 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1cx1 n THR 149 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1cx1 n THR 150 N 6.60 0.00 0.00 1.09 5.66 -1.26 -2.28 114.28 124.08 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 -1.20 -3.05 0.00 0.00 175.07 170.82 1cx1 n SER 151 N 0.00 0.00 -1.30 1.09 7.64 -1.26 -4.88 113.62 114.91 1cx1 n SER 151 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1cx1 n SER 151 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1cx1 n SER 151 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1cx1 n ALA 152 N 0.00 -0.28 -0.95 -0.43 0.00 -1.26 -4.28 120.51 113.31 1cx1 n ALA 152 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1cx1 n ALA 152 Cb 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 19.45 19.17 1cx1 n ALA 152 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91