#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cx1 n SER 2 N 0.00 0.00 0.00 0.00 2.88 -1.26 -4.89 113.62 110.35 1cx1 n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1cx1 n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1cx1 n SER 2 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1cx1 n LEU 3 N 0.00 0.00 -3.44 2.46 4.32 -1.26 -4.76 117.00 114.32 1cx1 n LEU 3 Ca 0.00 0.00 -0.19 0.00 -0.02 0.00 0.00 56.01 55.80 1cx1 n LEU 3 Cb 0.00 0.00 0.09 0.00 -1.62 0.00 0.00 43.42 41.89 1cx1 n LEU 3 CO 0.00 0.00 0.15 0.47 -1.22 0.00 0.00 177.39 176.79 1cx1 n ASP 4 N -3.43 -3.29 0.00 -1.43 9.92 -1.26 -4.67 116.55 112.39 1cx1 n ASP 4 Ca 0.00 -0.59 0.00 0.00 -0.53 0.00 0.00 54.79 53.67 1cx1 n ASP 4 Cb 0.00 -5.03 0.00 0.00 -0.64 0.00 0.00 41.12 35.45 1cx1 n ASP 4 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1cx1 n SER 5 N -3.06 0.00 -0.45 -2.24 3.41 -1.26 -4.39 113.62 105.63 1cx1 n SER 5 Ca -0.20 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.49 1cx1 n SER 5 Cb 0.64 0.00 0.17 0.00 -0.26 0.00 0.00 64.21 64.76 1cx1 n SER 5 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1cx1 n GLU 6 N 0.00 2.31 -1.30 4.33 1.02 -1.26 -4.93 120.64 120.80 1cx1 n GLU 6 Ca 0.00 -2.51 0.00 0.00 -0.02 0.00 0.00 57.16 54.63 1cx1 n GLU 6 Cb 0.00 -1.56 0.00 0.00 -0.02 0.00 0.00 31.44 29.86 1cx1 n GLU 6 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 1cx1 n VAL 7 N -0.75 0.00 0.00 2.62 3.14 -1.26 -4.21 118.33 117.87 1cx1 n VAL 7 Ca 0.16 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.54 1cx1 n VAL 7 Cb 0.67 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.45 1cx1 n VAL 7 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1cx1 n GLU 8 N -1.05 0.00 -0.43 1.45 1.02 -1.26 -4.68 120.64 115.69 1cx1 n GLU 8 Ca 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.19 1cx1 n GLU 8 Cb 0.20 0.00 0.22 0.00 -0.02 0.00 0.00 31.44 31.84 1cx1 n GLU 8 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1cx1 n LEU 9 N 0.00 3.33 -3.02 -4.62 4.32 -0.93 -4.66 117.00 111.42 1cx1 n LEU 9 Ca 0.00 -1.68 0.04 0.00 -0.02 0.00 0.00 56.01 54.35 1cx1 n LEU 9 Cb 0.00 -0.51 0.00 0.00 -1.62 0.00 0.00 43.42 41.29 1cx1 n LEU 9 CO 0.00 0.50 0.50 -0.22 -1.22 0.00 0.00 177.39 176.95 1cx1 s LEU 10 N -1.42 -0.38 0.00 2.23 1.98 -1.26 -4.87 118.68 114.96 1cx1 s LEU 10 Ca 0.31 -0.04 0.00 0.00 -2.89 0.00 0.00 54.13 51.51 1cx1 s LEU 10 Cb 0.21 0.97 0.00 0.00 0.66 0.00 0.00 46.19 48.03 1cx1 s LEU 10 CO 0.12 -0.06 0.13 -2.65 -1.89 0.00 0.00 176.35 172.00 1cx1 n PRO 11 N 4.60 0.00 -3.15 0.98 -0.02 -1.26 -4.34 135.00 131.81 1cx1 n PRO 11 Ca 0.08 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.60 1cx1 n PRO 11 Cb 0.60 -1.33 -0.00 0.00 -0.02 0.00 0.00 33.50 32.74 1cx1 n PRO 11 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1cx1 s HIS 12 N 1.92 -1.53 -0.33 6.00 2.46 -1.26 -5.04 115.29 117.52 1cx1 s HIS 12 Ca 0.00 1.12 0.15 0.00 0.47 0.00 0.00 55.06 56.81 1cx1 s HIS 12 Cb 0.00 0.35 0.44 0.00 -0.13 0.00 0.00 32.58 33.24 1cx1 s HIS 12 CO 0.00 -0.87 1.25 -2.37 -2.47 0.00 0.00 174.74 170.28 1cx1 n THR 13 N 5.39 0.54 -3.49 0.89 5.66 -1.26 -4.93 114.28 117.08 1cx1 n THR 13 Ca 0.03 -2.09 -0.29 0.00 -3.05 0.00 0.00 64.05 58.66 1cx1 n THR 13 Cb 0.54 0.99 -0.13 0.00 -1.55 0.00 0.00 70.33 70.18 1cx1 n THR 13 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1cx1 s SER 14 N -2.26 3.12 0.00 1.09 0.15 -1.26 -1.72 113.70 112.81 1cx1 s SER 14 Ca 0.21 -1.83 0.00 0.00 0.70 0.00 0.00 55.95 55.03 1cx1 s SER 14 Cb 0.41 -0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.37 1cx1 s SER 14 CO -0.06 -0.36 1.58 0.49 1.20 0.00 0.00 173.24 176.10 1cx1 n PHE 15 N 4.50 0.00 -0.01 3.44 3.01 0.59 -3.83 117.46 125.15 1cx1 n PHE 15 Ca 0.05 -0.79 -0.13 0.00 1.01 0.00 0.00 57.45 57.60 1cx1 n PHE 15 Cb 0.39 -0.45 -0.14 0.00 -0.01 0.00 0.00 39.48 39.28 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 1.59 1.30 -0.67 4.37 0.00 -1.25 -3.09 120.51 122.77 1cx1 n ALA 16 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.74 1cx1 n ALA 16 Cb 0.40 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 19.04 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 -3.18 0.00 -4.52 0.00 1.02 -1.25 -4.21 120.64 108.49 1cx1 n GLU 17 Ca -0.21 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.61 1cx1 n GLU 17 Cb 1.05 -0.08 -0.11 0.00 -0.02 0.00 0.00 31.44 32.28 1cx1 n GLU 17 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1cx1 s SER 18 N -1.51 4.47 0.46 1.62 1.04 -1.26 -4.82 113.70 113.69 1cx1 s SER 18 Ca 0.00 -0.18 0.25 0.00 0.48 0.00 0.00 55.95 56.49 1cx1 s SER 18 Cb 0.00 -1.00 1.27 0.00 0.10 0.00 0.00 66.02 66.39 1cx1 s SER 18 CO 0.00 0.29 1.80 0.17 0.98 0.00 0.00 173.24 176.48 1cx1 h LEU 19 N 4.60 0.27 0.00 2.42 -0.00 -1.90 -3.42 115.31 117.28 1cx1 h LEU 19 Ca -0.48 0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.45 1cx1 h LEU 19 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.83 1cx1 h LEU 19 CO 0.52 0.06 0.00 0.61 -0.00 0.00 0.00 178.44 179.63 1cx1 n GLY 20 N -1.59 -1.69 0.00 0.17 0.00 -1.26 -4.18 105.19 96.65 1cx1 n GLY 20 Ca 0.24 -1.69 0.12 0.00 0.00 0.00 0.00 46.02 44.69 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 0.07 -2.16 1.61 -0.04 -1.26 -4.84 135.00 128.38 1cx1 n PRO 21 Ca 0.00 0.07 -0.35 0.00 -0.04 0.00 0.00 63.50 63.17 1cx1 n PRO 21 Cb 0.00 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 31.97 1cx1 n PRO 21 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1cx1 s TRP 22 N -2.92 2.58 0.42 0.54 0.52 -1.26 -4.85 118.94 113.97 1cx1 s TRP 22 Ca 0.14 1.54 0.07 0.00 0.02 0.00 0.00 56.10 57.87 1cx1 s TRP 22 Cb 0.16 -3.34 -0.03 0.00 -1.15 0.00 0.00 33.47 29.11 1cx1 s TRP 22 CO 0.44 -1.77 0.30 -1.12 0.02 0.00 0.00 176.95 174.82 1cx1 s SER 23 N -1.76 4.77 -0.13 2.95 0.01 0.47 -4.89 113.70 115.13 1cx1 s SER 23 Ca 0.74 -0.90 -0.34 0.00 1.31 0.00 0.00 55.95 56.76 1cx1 s SER 23 Cb -0.26 -0.50 0.14 0.00 0.21 0.00 0.00 66.02 65.61 1cx1 s SER 23 CO 0.29 -0.62 1.29 -1.48 0.41 0.00 0.00 173.24 173.13 1cx1 s LEU 24 N -4.04 -0.07 0.00 2.44 0.05 -1.26 0.19 118.68 115.98 1cx1 s LEU 24 Ca 0.45 -0.05 0.00 0.00 0.05 0.00 0.00 54.13 54.57 1cx1 s LEU 24 Cb -0.00 1.29 0.00 0.00 -2.05 0.00 0.00 46.19 45.42 1cx1 s LEU 24 CO 0.25 -0.20 0.00 0.00 -0.55 0.00 0.00 176.35 175.85 1cx1 n TYR 25 N -0.28 0.00 0.00 3.48 0.18 -1.12 -4.99 117.16 114.43 1cx1 n TYR 25 Ca -0.04 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.74 1cx1 n TYR 25 Cb 0.60 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.56 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 2.42 0.00 -7.48 0.00 -1.26 -2.80 105.19 96.06 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 -1.61 0.00 -1.16 2.61 5.66 -1.26 -4.62 114.28 113.90 1cx1 n THR 27 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1cx1 n THR 27 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1cx1 n THR 27 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1cx1 n SER 28 N 0.00 0.00 -4.69 1.09 3.41 -1.25 -4.98 113.62 107.20 1cx1 n SER 28 Ca 0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.22 1cx1 n SER 28 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1cx1 n SER 28 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1cx1 s GLU 29 N 1.88 4.30 0.23 4.33 8.01 -1.26 -4.80 118.70 131.39 1cx1 s GLU 29 Ca 0.00 0.55 -0.30 0.00 0.01 0.00 0.00 54.97 55.23 1cx1 s GLU 29 Cb 0.00 -3.50 -0.09 0.00 -4.31 0.00 0.00 34.13 26.23 1cx1 s GLU 29 CO 0.00 -0.01 1.31 -1.25 0.01 0.00 0.00 175.26 175.32 1cx1 s PRO 30 N 1.15 4.39 -0.24 0.39 0.04 -1.26 -4.80 135.00 134.65 1cx1 s PRO 30 Ca 0.28 2.09 0.02 0.00 0.04 0.00 0.00 61.00 63.43 1cx1 s PRO 30 Cb -0.16 -3.16 0.06 0.00 0.04 0.00 0.00 34.50 31.28 1cx1 s PRO 30 CO 0.11 -0.23 -0.10 0.14 0.04 0.00 0.00 177.00 176.97 1cx1 s VAL 31 N -0.20 1.96 -1.09 -0.36 -7.23 -1.17 -4.92 120.40 107.39 1cx1 s VAL 31 Ca 0.55 -1.44 -0.20 0.00 -1.81 0.00 0.00 61.98 59.08 1cx1 s VAL 31 Cb -0.37 -2.09 -0.07 0.00 0.56 0.00 0.00 36.38 34.41 1cx1 s VAL 31 CO 0.41 0.00 1.97 2.22 -0.31 0.00 0.00 175.10 179.39 1cx1 n PHE 32 N 4.52 2.84 0.00 2.82 1.16 -1.25 -2.94 117.46 124.62 1cx1 n PHE 32 Ca -0.14 -2.14 0.00 0.00 -1.87 0.00 0.00 57.45 53.30 1cx1 n PHE 32 Cb 0.43 -2.24 0.00 0.00 -1.61 0.00 0.00 39.48 36.06 1cx1 n PHE 32 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1cx1 n ALA 33 N 8.89 0.00 -1.29 1.98 0.00 0.54 -4.40 120.51 126.23 1cx1 n ALA 33 Ca 0.49 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.84 1cx1 n ALA 33 Cb 0.42 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.79 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 -0.87 -3.49 0.00 -0.08 -1.26 -2.21 116.55 108.63 1cx1 n ASP 34 Ca 0.00 -1.41 -0.22 0.00 -1.51 0.00 0.00 54.79 51.65 1cx1 n ASP 34 Cb 0.00 -0.90 -0.03 0.00 2.34 0.00 0.00 41.12 42.53 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 5.28 -0.46 3.20 0.27 0.00 -1.26 -4.87 105.19 107.35 1cx1 n GLY 35 Ca 0.29 0.05 -0.13 0.00 0.00 0.00 0.00 46.02 46.23 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 -6.11 0.43 -0.15 1.61 1.70 -0.94 -4.09 118.95 111.40 1cx1 s ARG 36 Ca 0.42 0.25 -0.02 0.00 -0.47 0.00 0.00 55.73 55.91 1cx1 s ARG 36 Cb -0.24 0.20 -0.02 0.00 -0.57 0.00 0.00 34.95 34.33 1cx1 s ARG 36 CO 0.51 -0.07 -0.09 1.41 -1.08 0.00 0.00 175.30 175.97 1cx1 s MET 37 N -0.23 3.44 -0.03 3.89 1.75 0.66 0.20 119.30 128.98 1cx1 s MET 37 Ca -0.04 -0.64 0.06 0.00 -1.25 0.00 0.00 55.69 53.83 1cx1 s MET 37 Cb -0.03 -2.77 -0.01 0.00 2.84 0.00 0.00 34.83 34.86 1cx1 s MET 37 CO 0.01 0.13 -0.22 0.00 -0.65 0.00 0.00 175.02 174.29 1cx1 s VAL 39 N -0.39 2.87 -0.24 0.00 -7.23 -0.82 -3.05 120.40 111.54 1cx1 s VAL 39 Ca 0.05 -1.55 -0.28 0.00 -1.81 0.00 0.00 61.98 58.38 1cx1 s VAL 39 Cb -0.10 -2.34 0.01 0.00 0.56 0.00 0.00 36.38 34.51 1cx1 s VAL 39 CO 0.00 0.06 1.00 -1.81 -0.31 0.00 0.00 175.10 174.04 1cx1 s ASP 40 N -2.27 7.03 -0.28 4.85 1.01 -1.26 -3.07 116.67 122.67 1cx1 s ASP 40 Ca 0.19 1.28 0.09 0.00 0.71 0.00 0.00 52.55 54.81 1cx1 s ASP 40 Cb -0.10 -2.52 0.46 0.00 1.01 0.00 0.00 42.92 41.77 1cx1 s ASP 40 CO 0.11 -0.65 1.35 0.18 0.21 0.00 0.00 175.17 176.36 1cx1 n LEU 41 N 6.30 4.00 0.00 1.23 7.99 0.12 -3.90 117.00 132.73 1cx1 n LEU 41 Ca 0.11 -4.08 0.00 0.00 -0.01 0.00 0.00 56.01 52.02 1cx1 n LEU 41 Cb 0.46 -0.55 0.00 0.00 -0.11 0.00 0.00 43.42 43.22 1cx1 n LEU 41 CO 0.52 1.53 0.00 -0.81 -1.51 0.00 0.00 177.39 177.11 1cx1 n PRO 42 N -1.02 0.00 0.00 3.23 -0.04 -0.72 -0.79 135.00 135.65 1cx1 n PRO 42 Ca 0.32 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.78 1cx1 n PRO 42 Cb 0.88 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.34 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 3.72 0.34 0.00 0.55 0.00 -1.26 -4.32 105.19 104.22 1cx1 n GLY 43 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.66 1cx1 n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cx1 n GLY 44 N 0.00 0.00 3.54 -0.02 0.00 -1.26 -5.06 105.19 102.39 1cx1 n GLY 44 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1cx1 n GLY 44 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1cx1 s GLN 45 N 0.00 3.59 -0.36 1.61 -0.21 -1.26 -4.54 119.66 118.50 1cx1 s GLN 45 Ca 0.00 -0.56 -0.06 0.00 0.02 0.00 0.00 55.36 54.76 1cx1 s GLN 45 Cb 0.00 -3.78 -0.18 0.00 1.00 0.00 0.00 33.01 30.05 1cx1 s GLN 45 CO 0.00 -0.40 2.91 0.41 -2.12 0.00 0.00 175.29 176.09 1cx1 n GLY 46 N 5.08 2.93 3.64 3.09 0.00 -1.26 0.45 105.19 119.12 1cx1 n GLY 46 Ca -0.13 -1.04 -0.10 0.00 0.00 0.00 0.00 46.02 44.75 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 2.33 -0.80 0.00 1.61 4.22 -1.26 -4.77 114.94 116.27 1cx1 s ASN 47 Ca 0.55 1.40 0.26 0.00 -2.14 0.00 0.00 52.86 52.93 1cx1 s ASN 47 Cb 0.23 1.37 1.55 0.00 1.28 0.00 0.00 41.25 45.68 1cx1 s ASN 47 CO -0.01 -0.23 1.92 -0.81 -2.04 0.00 0.00 177.10 175.92 1cx1 n PRO 48 N 3.47 0.84 -3.12 3.55 -0.04 -1.22 -3.59 135.00 134.89 1cx1 n PRO 48 Ca -0.17 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 62.94 1cx1 n PRO 48 Cb 0.57 -1.48 -0.03 0.00 -0.04 0.00 0.00 33.50 32.52 1cx1 n PRO 48 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1cx1 n TRP 49 N -0.98 3.05 0.00 0.54 2.14 -1.26 -4.19 117.44 116.74 1cx1 n TRP 49 Ca 0.19 -3.36 0.00 0.00 2.07 0.00 0.00 57.50 56.41 1cx1 n TRP 49 Cb 0.09 -0.89 0.00 0.00 -0.81 0.00 0.00 31.31 29.70 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 0.81 0.00 -3.78 -0.67 9.92 -1.26 -5.09 116.55 116.47 1cx1 n ASP 50 Ca 0.30 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 54.47 1cx1 n ASP 50 Cb 0.36 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.79 1cx1 n ASP 50 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1cx1 s ALA 51 N -1.00 -0.66 0.00 2.24 0.00 -1.26 -4.24 121.76 116.84 1cx1 s ALA 51 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 51.58 1cx1 s ALA 51 Cb 0.00 0.81 0.00 0.00 0.00 0.00 0.00 23.12 23.93 1cx1 s ALA 51 CO 0.00 -0.73 0.00 0.41 0.00 0.00 0.00 175.76 175.44 1cx1 n GLY 52 N -0.28 2.58 3.70 0.00 0.00 -1.12 -3.49 105.19 106.58 1cx1 n GLY 52 Ca -0.10 -1.61 -0.32 0.00 0.00 0.00 0.00 46.02 43.98 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 3.57 0.29 0.99 0.05 -0.91 -2.78 118.68 119.88 1cx1 s LEU 53 Ca 0.00 -0.01 0.03 0.00 0.05 0.00 0.00 54.13 54.19 1cx1 s LEU 53 Cb 0.00 -2.10 -0.06 0.00 -2.05 0.00 0.00 46.19 41.98 1cx1 s LEU 53 CO 0.00 0.26 0.07 -0.69 -0.55 0.00 0.00 176.35 175.44 1cx1 s VAL 54 N -1.15 0.89 -0.25 1.48 1.01 0.50 0.58 120.40 123.45 1cx1 s VAL 54 Ca 0.21 -2.00 -0.27 0.00 0.00 0.00 0.00 61.98 59.93 1cx1 s VAL 54 Cb -0.12 -2.71 0.14 0.00 0.00 0.00 0.00 36.38 33.70 1cx1 s VAL 54 CO 0.12 -0.01 1.13 -0.47 0.00 0.00 0.00 175.10 175.87 1cx1 s TYR 55 N -3.52 -0.33 0.00 5.22 5.04 -0.11 0.18 117.35 123.83 1cx1 s TYR 55 Ca 0.37 0.74 0.00 0.00 -2.44 0.00 0.00 57.07 55.74 1cx1 s TYR 55 Cb 0.08 0.42 0.00 0.00 0.35 0.00 0.00 41.96 42.81 1cx1 s TYR 55 CO 0.14 -0.20 0.00 0.09 -1.34 0.00 0.00 175.55 174.24 1cx1 n ASN 56 N 1.59 1.32 -0.98 4.32 5.03 -1.26 -1.28 115.26 123.99 1cx1 n ASN 56 Ca -0.11 -0.73 0.00 0.00 0.87 0.00 0.00 54.58 54.62 1cx1 n ASN 56 Cb 0.57 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.33 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 0.71 2.82 7.41 0.00 -1.26 -4.91 105.19 114.96 1cx1 n GLY 57 Ca 0.00 -0.39 -0.14 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.66 -0.49 -0.06 1.61 0.11 -1.26 -4.87 120.40 112.78 1cx1 s VAL 58 Ca 0.00 -0.40 -0.30 0.00 -2.93 0.00 0.00 61.98 58.35 1cx1 s VAL 58 Cb 0.00 -0.98 -0.02 0.00 -1.53 0.00 0.00 36.38 33.85 1cx1 s VAL 58 CO 0.00 -0.39 1.04 -2.16 -3.33 0.00 0.00 175.10 170.27 1cx1 s PRO 59 N 2.43 4.45 -1.03 1.54 0.04 -1.26 -4.14 135.00 137.03 1cx1 s PRO 59 Ca 0.10 1.47 -0.04 0.00 0.04 0.00 0.00 61.00 62.56 1cx1 s PRO 59 Cb -0.13 -3.51 0.28 0.00 0.04 0.00 0.00 34.50 31.18 1cx1 s PRO 59 CO -0.31 -0.26 1.20 0.28 0.04 0.00 0.00 177.00 177.96 1cx1 n VAL 60 N 4.34 4.52 -2.74 -0.36 0.31 -0.42 -4.97 118.33 119.00 1cx1 n VAL 60 Ca 0.08 -5.58 -0.42 0.00 -0.01 0.00 0.00 64.34 58.41 1cx1 n VAL 60 Cb 0.49 -2.29 -0.03 0.00 -0.91 0.00 0.00 33.84 31.10 1cx1 n VAL 60 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1cx1 s GLY 61 N -0.60 1.56 0.63 2.92 0.00 -1.26 -2.04 107.32 108.54 1cx1 s GLY 61 Ca 0.31 -2.46 -0.13 0.00 0.00 0.00 0.00 44.72 42.45 1cx1 s GLY 61 CO 0.00 2.35 -0.46 -1.84 0.00 0.00 0.00 173.10 173.15 1cx1 n GLU 62 N 7.77 0.00 0.00 2.90 -0.00 -1.20 -4.29 120.64 125.83 1cx1 n GLU 62 Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.43 1cx1 n GLU 62 Cb 0.50 -0.73 0.00 0.00 -0.00 0.00 0.00 31.44 31.21 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 2.36 2.40 4.01 -1.84 0.00 0.21 -4.91 105.19 107.43 1cx1 n GLY 63 Ca 0.00 -0.54 -0.17 0.00 0.00 0.00 0.00 46.02 45.32 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 2.79 -0.12 1.61 8.01 -1.26 -4.69 118.70 125.03 1cx1 s GLU 64 Ca 0.00 -1.27 -0.07 0.00 0.01 0.00 0.00 54.97 53.64 1cx1 s GLU 64 Cb 0.00 -2.75 -0.04 0.00 -4.31 0.00 0.00 34.13 27.03 1cx1 s GLU 64 CO 0.00 -0.32 0.14 -1.12 0.01 0.00 0.00 175.26 173.97 1cx1 s SER 65 N -4.37 6.38 0.54 -0.19 0.01 -1.26 -0.36 113.70 114.45 1cx1 s SER 65 Ca 0.56 0.46 0.07 0.00 1.31 0.00 0.00 55.95 58.34 1cx1 s SER 65 Cb -0.10 -2.07 0.05 0.00 0.21 0.00 0.00 66.02 64.11 1cx1 s SER 65 CO 0.33 0.40 0.54 -0.31 0.41 0.00 0.00 173.24 174.61 1cx1 s TYR 66 N -0.95 1.67 -0.15 2.43 2.02 -0.97 -4.86 117.35 116.55 1cx1 s TYR 66 Ca 0.15 -0.76 -0.12 0.00 -0.37 0.00 0.00 57.07 55.96 1cx1 s TYR 66 Cb -0.12 -2.05 0.04 0.00 -0.40 0.00 0.00 41.96 39.44 1cx1 s TYR 66 CO 0.04 -0.68 0.38 0.08 -1.57 0.00 0.00 175.55 173.80 1cx1 s VAL 67 N -2.70 -0.01 -0.22 0.71 1.01 -0.92 -2.89 120.40 115.38 1cx1 s VAL 67 Ca 0.45 0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.47 1cx1 s VAL 67 Cb -0.04 -0.54 0.04 0.00 0.00 0.00 0.00 36.38 35.84 1cx1 s VAL 67 CO 0.28 0.01 -0.15 -0.22 0.00 0.00 0.00 175.10 175.01 1cx1 s LEU 68 N 0.46 2.78 -0.41 3.92 2.96 -1.15 -2.89 118.68 124.36 1cx1 s LEU 68 Ca -0.02 -1.02 -0.03 0.00 -0.22 0.00 0.00 54.13 52.84 1cx1 s LEU 68 Cb -0.04 -1.52 0.11 0.00 0.50 0.00 0.00 46.19 45.24 1cx1 s LEU 68 CO -0.02 -0.09 0.20 -0.55 -1.32 0.00 0.00 176.35 174.57 1cx1 s SER 69 N 1.20 5.26 -0.08 3.68 0.15 -1.16 -2.93 113.70 119.82 1cx1 s SER 69 Ca -0.02 -2.01 -0.15 0.00 0.70 0.00 0.00 55.95 54.48 1cx1 s SER 69 Cb -0.16 -1.83 -0.05 0.00 -1.71 0.00 0.00 66.02 62.26 1cx1 s SER 69 CO -0.09 -0.54 0.38 0.72 1.20 0.00 0.00 173.24 174.91 1cx1 s PHE 70 N 1.15 3.60 -0.77 3.44 -0.71 -1.11 -2.97 117.98 120.61 1cx1 s PHE 70 Ca 0.08 0.84 -0.18 0.00 -1.04 0.00 0.00 56.93 56.63 1cx1 s PHE 70 Cb -0.23 -2.34 0.14 0.00 -1.21 0.00 0.00 43.02 39.37 1cx1 s PHE 70 CO -0.04 0.43 0.89 0.95 -1.34 0.00 0.00 175.22 176.11 1cx1 s THR 71 N -0.27 4.92 0.10 -4.49 -4.23 -0.64 -2.91 115.64 108.12 1cx1 s THR 71 Ca 0.22 -1.48 -0.26 0.00 -1.18 0.00 0.00 61.69 58.99 1cx1 s THR 71 Cb -0.15 -4.61 0.08 0.00 1.34 0.00 0.00 72.50 69.16 1cx1 s THR 71 CO 0.10 -1.27 0.86 0.00 -0.54 0.00 0.00 174.62 173.76 1cx1 s ALA 72 N 2.24 -1.68 0.01 3.99 0.00 -1.17 -0.88 121.76 124.28 1cx1 s ALA 72 Ca 0.21 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.70 1cx1 s ALA 72 Cb -0.14 0.60 -0.01 0.00 0.00 0.00 0.00 23.12 23.57 1cx1 s ALA 72 CO -0.02 -0.85 -0.02 -1.54 0.00 0.00 0.00 175.76 173.32 1cx1 s SER 73 N -2.71 0.19 0.03 0.00 1.04 -1.11 -3.26 113.70 107.87 1cx1 s SER 73 Ca 0.07 -0.33 -0.25 0.00 0.48 0.00 0.00 55.95 55.92 1cx1 s SER 73 Cb -0.02 0.06 -0.05 0.00 0.10 0.00 0.00 66.02 66.12 1cx1 s SER 73 CO -0.04 -0.19 0.77 0.00 0.98 0.00 0.00 173.24 174.76 1cx1 s ALA 74 N -0.96 3.35 -0.14 5.32 0.00 -0.86 -3.12 121.76 125.35 1cx1 s ALA 74 Ca -0.10 0.29 -0.01 0.00 0.00 0.00 0.00 51.96 52.13 1cx1 s ALA 74 Cb -0.07 -3.02 0.04 0.00 0.00 0.00 0.00 23.12 20.08 1cx1 s ALA 74 CO -0.01 0.03 -0.02 0.95 0.00 0.00 0.00 175.76 176.71 1cx1 s THR 75 N 0.10 0.81 0.00 0.00 -4.23 -0.81 -3.57 115.64 107.94 1cx1 s THR 75 Ca 0.39 -0.41 0.00 0.00 -1.18 0.00 0.00 61.69 60.49 1cx1 s THR 75 Cb -0.20 -1.04 0.00 0.00 1.34 0.00 0.00 72.50 72.60 1cx1 s THR 75 CO 0.23 0.11 0.00 -2.65 -0.54 0.00 0.00 174.62 171.77 1cx1 n PRO 76 N 4.98 3.13 -3.35 3.99 -0.02 -1.26 0.69 135.00 143.17 1cx1 n PRO 76 Ca -0.10 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.05 1cx1 n PRO 76 Cb 0.48 0.00 -0.06 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 -1.64 6.68 0.00 2.55 1.01 -1.25 -4.58 116.67 119.43 1cx1 s ASP 77 Ca 0.00 1.02 0.00 0.00 0.71 0.00 0.00 52.55 54.28 1cx1 s ASP 77 Cb 0.00 -2.27 0.00 0.00 1.01 0.00 0.00 42.92 41.66 1cx1 s ASP 77 CO 0.00 -0.08 0.00 0.23 0.21 0.00 0.00 175.17 175.53 1cx1 n MET 78 N -0.07 0.00 -2.77 8.23 2.81 -1.16 -5.04 117.12 119.12 1cx1 n MET 78 Ca 0.00 0.00 -0.33 0.00 -1.81 0.00 0.00 57.70 55.57 1cx1 n MET 78 Cb 0.52 0.00 -0.06 0.00 -0.71 0.00 0.00 33.22 32.97 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 -2.01 4.17 0.40 0.03 0.04 -1.26 -2.53 135.00 133.83 1cx1 s PRO 79 Ca 0.00 1.07 0.08 0.00 0.04 0.00 0.00 61.00 62.18 1cx1 s PRO 79 Cb 0.00 -2.19 -0.06 0.00 0.04 0.00 0.00 34.50 32.29 1cx1 s PRO 79 CO 0.00 -0.06 0.09 0.14 0.04 0.00 0.00 177.00 177.21 1cx1 s VAL 80 N -2.25 2.27 -0.07 -0.36 -7.23 0.24 -4.91 120.40 108.10 1cx1 s VAL 80 Ca 0.61 -1.84 0.03 0.00 -1.81 0.00 0.00 61.98 58.96 1cx1 s VAL 80 Cb -0.09 -2.96 -0.02 0.00 0.56 0.00 0.00 36.38 33.87 1cx1 s VAL 80 CO 0.16 -0.04 -0.14 -0.60 -0.31 0.00 0.00 175.10 174.17 1cx1 s ARG 81 N -3.81 2.70 0.02 4.82 3.52 -1.10 -2.89 118.95 122.21 1cx1 s ARG 81 Ca 0.38 -0.70 0.00 0.00 -0.13 0.00 0.00 55.73 55.28 1cx1 s ARG 81 Cb 0.05 -2.43 -0.02 0.00 -1.56 0.00 0.00 34.95 30.99 1cx1 s ARG 81 CO 0.21 0.53 -0.03 0.54 -0.81 0.00 0.00 175.30 175.73 1cx1 s VAL 82 N -0.48 0.12 -0.03 7.11 0.11 -1.14 -2.90 120.40 123.19 1cx1 s VAL 82 Ca 0.06 -0.87 -0.11 0.00 -2.93 0.00 0.00 61.98 58.13 1cx1 s VAL 82 Cb -0.12 -0.26 0.02 0.00 -1.53 0.00 0.00 36.38 34.49 1cx1 s VAL 82 CO 0.02 -0.47 0.25 -1.48 -3.33 0.00 0.00 175.10 170.09 1cx1 s LEU 83 N -1.38 1.10 -0.03 2.54 2.34 -1.03 -3.31 118.68 118.91 1cx1 s LEU 83 Ca -0.15 0.13 -0.18 0.00 0.06 0.00 0.00 54.13 53.99 1cx1 s LEU 83 Cb -0.09 0.99 0.03 0.00 -0.56 0.00 0.00 46.19 46.56 1cx1 s LEU 83 CO -0.01 -0.32 0.39 -0.69 -1.06 0.00 0.00 176.35 174.66 1cx1 s VAL 84 N -0.92 0.04 -3.41 1.48 1.01 -1.03 -2.50 120.40 115.07 1cx1 s VAL 84 Ca -0.10 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.52 1cx1 s VAL 84 Cb -0.05 -0.69 0.00 0.00 0.00 0.00 0.00 36.38 35.64 1cx1 s VAL 84 CO 0.02 -0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.54 1cx1 n GLY 85 N 1.27 -0.50 3.98 4.51 0.00 -0.91 -2.60 105.19 110.94 1cx1 n GLY 85 Ca -0.21 -0.66 -0.24 0.00 0.00 0.00 0.00 46.02 44.91 1cx1 n GLY 85 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1cx1 s GLU 86 N -1.94 1.62 -0.07 1.61 1.03 -1.26 -0.28 118.70 119.42 1cx1 s GLU 86 Ca 0.00 -0.95 0.12 0.00 0.03 0.00 0.00 54.97 54.17 1cx1 s GLU 86 Cb 0.00 -2.27 0.22 0.00 -0.80 0.00 0.00 34.13 31.28 1cx1 s GLU 86 CO 0.00 -1.52 1.11 0.41 -1.33 0.00 0.00 175.26 173.93 1cx1 n GLY 87 N -2.93 2.65 3.58 -3.83 0.00 -1.21 -4.59 105.19 98.85 1cx1 n GLY 87 Ca 0.14 -0.68 -0.12 0.00 0.00 0.00 0.00 46.02 45.36 1cx1 n GLY 87 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1cx1 s GLY 88 N -2.07 -0.33 0.49 -0.02 0.00 -1.25 -4.77 107.32 99.36 1cx1 s GLY 88 Ca 0.21 1.96 0.00 0.00 0.00 0.00 0.00 44.72 46.89 1cx1 s GLY 88 CO -0.03 1.16 0.00 0.61 0.00 0.00 0.00 173.10 174.85 1cx1 n GLY 89 N 1.07 -3.60 3.24 0.20 0.00 -0.52 -3.69 105.19 101.89 1cx1 n GLY 89 Ca -0.13 -0.62 -0.28 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.87 -2.20 0.34 4.61 0.00 -1.26 -4.59 120.51 115.53 1cx1 n ALA 90 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1cx1 n ALA 90 Cb 0.24 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.35 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 -0.93 0.00 -2.92 0.00 4.01 -1.26 -4.63 117.16 111.43 1cx1 n TYR 91 Ca -0.15 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.17 1cx1 n TYR 91 Cb 0.56 -0.01 -0.05 0.00 -0.31 0.00 0.00 39.34 39.53 1cx1 n TYR 91 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 1cx1 s ARG 92 N -1.42 3.96 0.44 -0.72 1.70 -1.26 -5.02 118.95 116.64 1cx1 s ARG 92 Ca 0.00 0.62 0.08 0.00 -0.47 0.00 0.00 55.73 55.96 1cx1 s ARG 92 Cb 0.00 -3.73 -0.00 0.00 -0.57 0.00 0.00 34.95 30.65 1cx1 s ARG 92 CO 0.00 -0.71 0.45 -0.08 -1.08 0.00 0.00 175.30 173.88 1cx1 s THR 93 N 3.03 2.57 -0.06 4.99 -1.32 -1.26 -4.79 115.64 118.79 1cx1 s THR 93 Ca 0.33 -1.27 0.10 0.00 -1.21 0.00 0.00 61.69 59.65 1cx1 s THR 93 Cb -0.14 -2.84 -0.15 0.00 -1.51 0.00 0.00 72.50 67.86 1cx1 s THR 93 CO 0.13 0.00 0.14 0.00 -2.21 0.00 0.00 174.62 172.68 1cx1 n ALA 94 N -1.68 2.09 -0.51 11.08 0.00 -1.25 -4.47 120.51 125.77 1cx1 n ALA 94 Ca 0.05 -0.46 -0.16 0.00 0.00 0.00 0.00 53.44 52.87 1cx1 n ALA 94 Cb 0.62 -0.18 0.08 0.00 0.00 0.00 0.00 19.45 19.96 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 -2.12 1.73 -1.34 0.00 -0.00 -1.07 -4.69 117.46 109.97 1cx1 n PHE 95 Ca -0.09 -1.58 -0.37 0.00 -0.00 0.00 0.00 57.45 55.41 1cx1 n PHE 95 Cb 0.55 -0.79 -0.04 0.00 -0.00 0.00 0.00 39.48 39.21 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 -0.19 3.65 -4.03 -4.13 4.07 -1.26 -2.47 120.64 116.28 1cx1 n GLU 96 Ca 0.34 -2.21 -0.25 0.00 -0.06 0.00 0.00 57.16 54.97 1cx1 n GLU 96 Cb 0.93 -2.73 -0.04 0.00 -0.06 0.00 0.00 31.44 29.55 1cx1 n GLU 96 CO 0.00 0.00 0.00 -1.14 -0.06 0.00 0.00 177.13 175.93 1cx1 s GLN 97 N 1.81 3.15 0.00 5.31 0.74 -1.21 -5.00 119.66 124.47 1cx1 s GLN 97 Ca 0.69 -0.79 0.00 0.00 0.05 0.00 0.00 55.36 55.30 1cx1 s GLN 97 Cb 0.19 -2.77 0.00 0.00 1.10 0.00 0.00 33.01 31.53 1cx1 s GLN 97 CO -0.06 0.48 0.30 0.41 -0.55 0.00 0.00 175.29 175.87 1cx1 n GLY 98 N -0.69 -1.41 2.64 2.59 0.00 -1.26 -2.89 105.19 104.17 1cx1 n GLY 98 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 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 7.42 -4.39 1.61 7.64 -1.26 -4.42 113.62 120.22 1cx1 n SER 99 Ca 0.00 -3.66 -0.43 0.00 1.01 0.00 0.00 58.87 55.79 1cx1 n SER 99 Cb 0.46 -1.18 -0.09 0.00 -1.01 0.00 0.00 64.21 62.39 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 -4.11 3.46 0.12 -0.43 0.00 -1.14 -4.97 121.76 114.69 1cx1 s ALA 100 Ca 0.41 -1.94 -0.30 0.00 0.00 0.00 0.00 51.96 50.13 1cx1 s ALA 100 Cb 0.20 -2.89 -0.06 0.00 0.00 0.00 0.00 23.12 20.37 1cx1 s ALA 100 CO -0.14 -1.59 1.03 -1.25 0.00 0.00 0.00 175.76 173.81 1cx1 s PRO 101 N 1.61 4.63 0.12 0.00 0.04 -1.26 0.83 135.00 140.98 1cx1 s PRO 101 Ca 0.04 1.56 0.05 0.00 0.04 0.00 0.00 61.00 62.69 1cx1 s PRO 101 Cb -0.22 -3.35 -0.04 0.00 0.04 0.00 0.00 34.50 30.94 1cx1 s PRO 101 CO 0.07 0.11 -0.12 -0.51 0.04 0.00 0.00 177.00 176.60 1cx1 s LEU 102 N 0.03 2.45 0.00 -3.56 1.43 -1.05 -4.90 118.68 113.07 1cx1 s LEU 102 Ca 0.49 -0.88 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 1cx1 s LEU 102 Cb -0.26 -0.41 0.00 0.00 0.03 0.00 0.00 46.19 45.55 1cx1 s LEU 102 CO 0.31 -0.24 0.00 1.07 0.23 0.00 0.00 176.35 177.72 1cx1 n THR 103 N 0.30 0.00 -1.50 5.49 5.66 -1.26 -3.01 114.28 119.95 1cx1 n THR 103 Ca -0.14 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 60.81 1cx1 n THR 103 Cb 0.58 -0.43 0.19 0.00 -1.55 0.00 0.00 70.33 69.12 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 5.04 3.37 1.09 0.00 -1.23 -2.02 105.19 116.43 1cx1 n GLY 104 Ca 0.00 -1.34 -0.15 0.00 0.00 0.00 0.00 46.02 44.53 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 -3.29 0.85 -0.18 1.61 2.02 -1.26 -4.95 118.70 113.49 1cx1 s GLU 105 Ca 0.45 0.02 -0.41 0.00 0.02 0.00 0.00 54.97 55.05 1cx1 s GLU 105 Cb 0.41 0.39 -0.19 0.00 0.10 0.00 0.00 34.13 34.84 1cx1 s GLU 105 CO -0.01 -0.25 1.22 -2.30 0.02 0.00 0.00 175.26 173.95 1cx1 n PRO 106 N 1.12 0.00 -3.64 0.39 -0.02 -1.26 -4.54 135.00 127.05 1cx1 n PRO 106 Ca -0.20 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.20 1cx1 n PRO 106 Cb 0.56 -1.44 -0.07 0.00 -0.02 0.00 0.00 33.50 32.53 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 1.10 -1.98 0.06 3.55 0.00 -1.20 -4.95 121.76 118.34 1cx1 s ALA 107 Ca 0.93 2.24 -0.16 0.00 0.00 0.00 0.00 51.96 54.97 1cx1 s ALA 107 Cb -1.31 -1.46 -0.06 0.00 0.00 0.00 0.00 23.12 20.29 1cx1 s ALA 107 CO 0.64 -0.35 0.49 0.95 0.00 0.00 0.00 175.76 177.49 1cx1 s THR 108 N 1.19 4.90 0.03 0.00 -4.23 -1.26 -3.02 115.64 113.25 1cx1 s THR 108 Ca -0.07 0.94 0.09 0.00 -1.18 0.00 0.00 61.69 61.47 1cx1 s THR 108 Cb -0.05 -3.78 -0.03 0.00 1.34 0.00 0.00 72.50 69.99 1cx1 s THR 108 CO -0.14 0.48 -0.26 -0.13 -0.54 0.00 0.00 174.62 174.03 1cx1 s ARG 109 N -1.33 1.84 -0.19 3.99 3.00 -1.15 -4.95 118.95 120.16 1cx1 s ARG 109 Ca 0.29 -1.08 -0.00 0.00 0.00 0.00 0.00 55.73 54.94 1cx1 s ARG 109 Cb -0.17 -1.97 0.05 0.00 0.00 0.00 0.00 34.95 32.86 1cx1 s ARG 109 CO 0.17 0.52 -0.04 -1.21 0.00 0.00 0.00 175.30 174.74 1cx1 s GLU 110 N -1.13 1.37 -0.26 3.54 2.02 -1.26 -2.76 118.70 120.22 1cx1 s GLU 110 Ca 0.11 -0.65 -0.03 0.00 0.02 0.00 0.00 54.97 54.42 1cx1 s GLU 110 Cb -0.10 -2.21 0.02 0.00 0.10 0.00 0.00 34.13 31.94 1cx1 s GLU 110 CO 0.02 -0.52 -0.03 0.71 0.02 0.00 0.00 175.26 175.46 1cx1 s TYR 111 N 1.59 3.08 0.43 1.61 2.02 -1.15 -4.91 117.35 120.03 1cx1 s TYR 111 Ca -0.02 -1.39 0.06 0.00 -0.37 0.00 0.00 57.07 55.35 1cx1 s TYR 111 Cb -0.17 -2.11 -0.06 0.00 -0.40 0.00 0.00 41.96 39.23 1cx1 s TYR 111 CO -0.07 -0.69 0.07 0.00 -1.57 0.00 0.00 175.55 173.29 1cx1 s ALA 112 N 1.37 3.50 0.05 3.71 0.00 -1.26 -2.92 121.76 126.22 1cx1 s ALA 112 Ca 0.01 -1.87 -0.27 0.00 0.00 0.00 0.00 51.96 49.83 1cx1 s ALA 112 Cb -0.17 -0.04 0.09 0.00 0.00 0.00 0.00 23.12 23.01 1cx1 s ALA 112 CO -0.03 -0.13 1.19 -0.59 0.00 0.00 0.00 175.76 176.20 1cx1 s PHE 113 N -2.71 0.00 -0.39 0.00 -0.12 -1.14 -4.99 117.98 108.63 1cx1 s PHE 113 Ca 0.31 -0.20 -0.23 0.00 -0.05 0.00 0.00 56.93 56.76 1cx1 s PHE 113 Cb 0.06 0.60 0.01 0.00 -0.63 0.00 0.00 43.02 43.07 1cx1 s PHE 113 CO 0.17 -0.50 0.78 0.95 -0.05 0.00 0.00 175.22 176.57 1cx1 s THR 114 N -2.32 4.71 -0.32 -4.49 -4.23 -1.26 -2.29 115.64 105.44 1cx1 s THR 114 Ca 0.21 0.76 -0.34 0.00 -1.18 0.00 0.00 61.69 61.14 1cx1 s THR 114 Cb 0.01 -4.24 -0.10 0.00 1.34 0.00 0.00 72.50 69.50 1cx1 s THR 114 CO 0.00 -0.51 2.20 -0.24 -0.54 0.00 0.00 174.62 175.52 1cx1 n SER 115 N 6.51 2.36 -0.91 3.99 2.88 0.52 -4.76 113.62 124.20 1cx1 n SER 115 Ca 0.03 0.37 0.05 0.00 -1.33 0.00 0.00 58.87 57.99 1cx1 n SER 115 Cb 0.48 -1.32 0.12 0.00 -0.75 0.00 0.00 64.21 62.74 1cx1 n SER 115 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1cx1 n ASN 116 N 10.23 1.37 -3.81 -3.46 4.13 -1.26 0.67 115.26 123.13 1cx1 n ASN 116 Ca 0.39 -2.97 -0.25 0.00 1.68 0.00 0.00 54.58 53.43 1cx1 n ASN 116 Cb 0.27 -0.41 -0.17 0.00 -1.54 0.00 0.00 39.78 37.93 1cx1 n ASN 116 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1cx1 s LEU 117 N -1.73 0.88 -0.03 3.41 2.96 -1.26 -4.91 118.68 118.00 1cx1 s LEU 117 Ca 0.34 -0.27 -0.30 0.00 -0.22 0.00 0.00 54.13 53.68 1cx1 s LEU 117 Cb 0.35 -0.60 -0.03 0.00 0.50 0.00 0.00 46.19 46.41 1cx1 s LEU 117 CO -0.10 -0.19 1.09 0.42 -1.32 0.00 0.00 176.35 176.26 1cx1 s THR 118 N 1.87 4.51 -0.34 3.68 -4.23 -1.25 -3.23 115.64 116.64 1cx1 s THR 118 Ca 0.04 1.80 0.03 0.00 -1.18 0.00 0.00 61.69 62.39 1cx1 s THR 118 Cb -0.13 -4.16 0.19 0.00 1.34 0.00 0.00 72.50 69.74 1cx1 s THR 118 CO -0.07 0.06 0.71 -0.36 -0.54 0.00 0.00 174.62 174.43 1cx1 s PHE 119 N 1.64 -1.48 0.74 3.99 0.08 -0.87 -4.98 117.98 117.09 1cx1 s PHE 119 Ca 0.53 0.53 -0.12 0.00 0.12 0.00 0.00 56.93 58.00 1cx1 s PHE 119 Cb -0.23 0.26 0.03 0.00 -0.57 0.00 0.00 43.02 42.52 1cx1 s PHE 119 CO 0.24 -0.94 1.12 -1.25 -0.10 0.00 0.00 175.22 174.29 1cx1 s PRO 120 N 2.33 2.60 0.22 0.24 0.04 -1.26 -1.31 135.00 137.87 1cx1 s PRO 120 Ca 0.15 0.39 0.26 0.00 0.04 0.00 0.00 61.00 61.84 1cx1 s PRO 120 Cb -0.05 -2.00 0.80 0.00 0.04 0.00 0.00 34.50 33.29 1cx1 s PRO 120 CO -0.16 -1.20 1.77 -0.35 0.04 0.00 0.00 177.00 177.10 1cx1 n PRO 121 N -3.11 0.27 -3.95 0.56 -0.04 -1.26 -3.90 135.00 123.57 1cx1 n PRO 121 Ca 0.07 0.22 -0.35 0.00 -0.04 0.00 0.00 63.50 63.40 1cx1 n PRO 121 Cb 0.58 -1.82 -0.13 0.00 -0.04 0.00 0.00 33.50 32.09 1cx1 n PRO 121 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1cx1 s ASP 122 N -4.58 4.61 0.00 3.54 1.01 -1.26 -4.59 116.67 115.40 1cx1 s ASP 122 Ca 0.11 -0.30 0.00 0.00 0.71 0.00 0.00 52.55 53.07 1cx1 s ASP 122 Cb 0.12 -1.80 0.00 0.00 1.01 0.00 0.00 42.92 42.25 1cx1 s ASP 122 CO 0.60 0.01 0.00 0.61 0.21 0.00 0.00 175.17 176.60 1cx1 n GLY 123 N 4.62 0.79 2.11 0.21 0.00 -1.26 -4.82 105.19 106.84 1cx1 n GLY 123 Ca -0.17 -2.13 -0.21 0.00 0.00 0.00 0.00 46.02 43.50 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 1.45 6.46 -2.66 1.61 8.00 -1.26 -4.10 116.55 126.05 1cx1 n ASP 124 Ca 0.00 -2.51 -0.04 0.00 0.71 0.00 0.00 54.79 52.95 1cx1 n ASP 124 Cb 0.00 -1.46 0.09 0.00 -0.02 0.00 0.00 41.12 39.73 1cx1 n ASP 124 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cx1 n ALA 125 N 2.88 -3.51 -1.00 2.24 0.00 -1.24 -1.43 120.51 118.44 1cx1 n ALA 125 Ca 0.55 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1cx1 n ALA 125 Cb 0.68 -3.30 0.00 0.00 0.00 0.00 0.00 19.45 16.83 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 1.07 1.22 -2.21 0.00 -0.04 -1.25 -4.09 135.00 129.69 1cx1 n PRO 126 Ca -0.02 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.12 1cx1 n PRO 126 Cb 0.73 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.18 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 -0.87 1.84 -0.12 0.55 0.00 -1.26 -3.31 107.32 104.15 1cx1 s GLY 127 Ca 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 44.72 44.65 1cx1 s GLY 127 CO 0.00 0.25 0.26 1.62 0.00 0.00 0.00 173.10 175.23 1cx1 s GLN 128 N -4.59 0.20 -0.40 2.90 0.74 0.62 -4.31 119.66 114.81 1cx1 s GLN 128 Ca 0.56 0.62 0.04 0.00 0.05 0.00 0.00 55.36 56.63 1cx1 s GLN 128 Cb -0.10 -0.08 0.16 0.00 1.10 0.00 0.00 33.01 34.08 1cx1 s GLN 128 CO 0.42 -0.20 0.40 0.08 -0.55 0.00 0.00 175.29 175.44 1cx1 s VAL 129 N 1.67 -0.17 -0.21 1.34 1.01 -0.40 -2.14 120.40 121.50 1cx1 s VAL 129 Ca -0.06 -1.60 -0.08 0.00 0.00 0.00 0.00 61.98 60.25 1cx1 s VAL 129 Cb -0.11 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 1cx1 s VAL 129 CO -0.09 -0.75 0.09 0.00 0.00 0.00 0.00 175.10 174.35 1cx1 s ALA 130 N 0.87 3.41 -0.57 5.51 0.00 -1.04 -0.93 121.76 129.00 1cx1 s ALA 130 Ca 0.24 -0.85 -0.10 0.00 0.00 0.00 0.00 51.96 51.25 1cx1 s ALA 130 Cb -0.08 -2.04 0.15 0.00 0.00 0.00 0.00 23.12 21.15 1cx1 s ALA 130 CO -0.08 -0.02 0.47 -0.06 0.00 0.00 0.00 175.76 176.07 1cx1 s PHE 131 N 0.74 3.46 -0.12 0.00 0.40 0.20 -2.47 117.98 120.18 1cx1 s PHE 131 Ca 0.04 -1.92 -0.08 0.00 -0.60 0.00 0.00 56.93 54.38 1cx1 s PHE 131 Cb -0.13 -3.57 -0.04 0.00 0.51 0.00 0.00 43.02 39.78 1cx1 s PHE 131 CO 0.02 -0.98 0.16 -1.01 0.70 0.00 0.00 175.22 174.11 1cx1 s HIS 132 N 0.97 3.58 0.00 0.36 3.76 -1.14 -2.15 115.29 120.67 1cx1 s HIS 132 Ca 0.09 0.54 0.00 0.00 -0.15 0.00 0.00 55.06 55.54 1cx1 s HIS 132 Cb -0.23 -2.01 0.00 0.00 1.11 0.00 0.00 32.58 31.45 1cx1 s HIS 132 CO -0.02 0.66 0.29 1.28 -0.85 0.00 0.00 174.74 176.09 1cx1 n LEU 133 N 2.22 0.00 -4.75 0.89 4.32 -1.23 -2.72 117.00 115.74 1cx1 n LEU 133 Ca -0.19 -0.03 -0.38 0.00 -0.02 0.00 0.00 56.01 55.40 1cx1 n LEU 133 Cb 0.54 0.00 0.04 0.00 -1.62 0.00 0.00 43.42 42.38 1cx1 n LEU 133 CO 0.33 0.04 0.94 -0.83 -1.22 0.00 0.00 177.39 176.64 1cx1 s GLY 134 N 0.00 2.85 0.00 -0.72 0.00 -1.26 -4.70 107.32 103.50 1cx1 s GLY 134 Ca 0.00 1.23 0.00 0.00 0.00 0.00 0.00 44.72 45.95 1cx1 s GLY 134 CO 0.00 1.71 0.00 0.28 0.00 0.00 0.00 173.10 175.09 1cx1 n LYS 135 N -1.21 0.00 0.03 2.90 5.02 -1.08 -3.39 118.16 120.44 1cx1 n LYS 135 Ca 0.11 0.00 0.21 0.00 -2.02 0.00 0.00 58.31 56.61 1cx1 n LYS 135 Cb 0.46 0.00 0.58 0.00 -0.02 0.00 0.00 35.03 36.05 1cx1 n LYS 135 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1cx1 h ALA 136 N 0.00 2.32 -0.44 7.82 0.00 0.94 4.94 119.26 134.83 1cx1 h ALA 136 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1cx1 h ALA 136 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1cx1 h ALA 136 CO 0.00 -1.05 0.00 0.41 0.00 0.00 0.00 179.25 178.61 1cx1 n GLY 137 N -1.54 2.30 0.00 0.00 0.00 -1.26 -4.54 105.19 100.15 1cx1 n GLY 137 Ca 0.11 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 0.99 0.00 -2.00 4.61 0.00 1.61 -5.02 120.51 120.70 1cx1 n ALA 138 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1cx1 n ALA 138 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 -1.11 0.00 -4.23 0.00 0.18 0.03 -4.78 117.16 107.25 1cx1 n TYR 139 Ca 0.00 0.00 -0.18 0.00 1.88 0.00 0.00 57.90 59.60 1cx1 n TYR 139 Cb 0.00 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 38.85 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 2.20 0.99 -0.05 -3.48 8.01 0.22 0.13 118.70 126.72 1cx1 s GLU 140 Ca 0.00 -1.19 -0.00 0.00 0.01 0.00 0.00 54.97 53.79 1cx1 s GLU 140 Cb 0.00 -0.89 0.03 0.00 -4.31 0.00 0.00 34.13 28.96 1cx1 s GLU 140 CO 0.00 0.18 -0.01 0.12 0.01 0.00 0.00 175.26 175.56 1cx1 s PHE 141 N -1.99 0.52 -0.39 1.61 5.36 -1.18 -1.92 117.98 120.00 1cx1 s PHE 141 Ca 0.07 -0.09 0.02 0.00 -0.96 0.00 0.00 56.93 55.97 1cx1 s PHE 141 Cb -0.06 -0.60 0.11 0.00 -0.34 0.00 0.00 43.02 42.14 1cx1 s PHE 141 CO 0.03 -0.21 0.13 0.00 -1.46 0.00 0.00 175.22 173.71 1cx1 s ILE 143 N 0.81 3.83 0.00 0.00 2.07 -0.15 -2.74 121.20 125.01 1cx1 s ILE 143 Ca 0.11 -0.68 0.00 0.00 -1.41 0.00 0.00 60.65 58.68 1cx1 s ILE 143 Cb -0.21 -2.67 0.00 0.00 0.13 0.00 0.00 42.46 39.72 1cx1 s ILE 143 CO -0.06 0.42 0.00 -1.54 -1.91 0.00 0.00 174.94 171.85 1cx1 n SER 144 N 1.59 2.25 -3.88 4.50 3.41 -0.06 -0.25 113.62 121.19 1cx1 n SER 144 Ca -0.15 -0.05 -0.09 0.00 -0.26 0.00 0.00 58.87 58.31 1cx1 n SER 144 Cb 0.53 0.56 -0.05 0.00 -0.26 0.00 0.00 64.21 64.98 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 -1.00 1.40 -0.35 4.33 -0.21 -1.24 0.22 119.66 122.81 1cx1 s GLN 145 Ca 0.00 -1.07 -0.03 0.00 0.02 0.00 0.00 55.36 54.28 1cx1 s GLN 145 Cb 0.00 0.48 0.19 0.00 1.00 0.00 0.00 33.01 34.67 1cx1 s GLN 145 CO 0.00 -0.58 0.89 0.54 -2.12 0.00 0.00 175.29 174.02 1cx1 s VAL 146 N -3.94 -0.50 0.06 1.09 0.11 -0.70 -1.62 120.40 114.89 1cx1 s VAL 146 Ca 0.15 0.00 -0.17 0.00 -2.93 0.00 0.00 61.98 59.03 1cx1 s VAL 146 Cb -0.00 -0.07 -0.06 0.00 -1.53 0.00 0.00 36.38 34.71 1cx1 s VAL 146 CO 0.02 0.00 0.51 -0.55 -3.33 0.00 0.00 175.10 171.76 1cx1 s SER 147 N 2.06 6.95 -0.41 3.54 0.15 -1.16 -4.60 113.70 120.24 1cx1 s SER 147 Ca 0.16 1.14 0.03 0.00 0.70 0.00 0.00 55.95 57.98 1cx1 s SER 147 Cb -0.00 -2.31 0.12 0.00 -1.71 0.00 0.00 66.02 62.11 1cx1 s SER 147 CO -0.14 0.27 0.16 -0.22 1.20 0.00 0.00 173.24 174.51 1cx1 s LEU 148 N -1.22 3.73 0.00 3.45 2.96 -1.26 -2.98 118.68 123.37 1cx1 s LEU 148 Ca 0.28 -2.42 0.00 0.00 -0.22 0.00 0.00 54.13 51.77 1cx1 s LEU 148 Cb -0.18 -1.37 0.00 0.00 0.50 0.00 0.00 46.19 45.14 1cx1 s LEU 148 CO 0.17 -0.32 0.00 1.07 -1.32 0.00 0.00 176.35 175.96 1cx1 n THR 149 N 3.86 0.00 -3.08 3.68 5.66 -1.14 -2.18 114.28 121.08 1cx1 n THR 149 Ca 0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.04 1cx1 n THR 149 Cb 0.37 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.15 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 0.43 0.00 -0.76 1.09 5.66 -1.26 -2.16 114.28 117.27 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 -0.13 -1.56 -3.24 1.09 2.88 -1.26 -4.42 113.62 106.97 1cx1 n SER 151 Ca 0.00 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 1cx1 n SER 151 Cb 0.00 -0.78 -0.03 0.00 -0.75 0.00 0.00 64.21 62.65 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 0.00 -1.79 0.00 -1.46 0.00 -1.26 -4.97 121.76 112.28 1cx1 s ALA 152 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.13 1cx1 s ALA 152 Cb 0.00 -2.44 0.00 0.00 0.00 0.00 0.00 23.12 20.68 1cx1 s ALA 152 CO 0.00 -2.03 0.50 2.41 0.00 0.00 0.00 175.76 176.64