#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 1.89 -1.45 0.00 3.41 -1.26 -4.92 113.62 111.28 1cx1 n SER 2 Ca 0.00 0.44 -0.13 0.00 -0.26 0.00 0.00 58.87 58.92 1cx1 n SER 2 Cb 0.00 -0.81 -0.05 0.00 -0.26 0.00 0.00 64.21 63.08 1cx1 n SER 2 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1cx1 n LEU 3 N -4.48 -1.00 -4.57 1.04 0.00 -1.26 -4.76 117.00 101.96 1cx1 n LEU 3 Ca -0.18 0.32 -0.19 0.00 0.00 0.00 0.00 56.01 55.96 1cx1 n LEU 3 Cb 0.49 -2.04 -0.08 0.00 0.00 0.00 0.00 43.42 41.79 1cx1 n LEU 3 CO 0.15 -0.67 1.24 -1.81 0.00 0.00 0.00 177.39 176.30 1cx1 s ASP 4 N -2.13 4.08 0.56 1.96 1.11 -1.26 -4.65 116.67 116.34 1cx1 s ASP 4 Ca 0.00 -0.86 0.00 0.00 0.18 0.00 0.00 52.55 51.87 1cx1 s ASP 4 Cb 0.00 -2.58 0.00 0.00 1.07 0.00 0.00 42.92 41.41 1cx1 s ASP 4 CO 0.00 -3.96 0.00 -0.24 1.18 0.00 0.00 175.17 172.15 1cx1 n SER 5 N 17.64 -7.99 -3.51 0.27 2.88 -1.26 -4.84 113.62 116.81 1cx1 n SER 5 Ca 0.43 1.76 -0.23 0.00 -1.33 0.00 0.00 58.87 59.51 1cx1 n SER 5 Cb 0.46 -4.96 0.21 0.00 -0.75 0.00 0.00 64.21 59.17 1cx1 n SER 5 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1cx1 n GLU 6 N -2.69 -3.23 -3.00 -1.46 4.71 -1.26 -4.96 120.64 108.75 1cx1 n GLU 6 Ca -0.00 -0.96 -0.15 0.00 -0.01 0.00 0.00 57.16 56.04 1cx1 n GLU 6 Cb 0.47 -1.66 -0.02 0.00 -1.01 0.00 0.00 31.44 29.21 1cx1 n GLU 6 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1cx1 n VAL 7 N -4.95 -0.44 -1.18 2.62 0.31 -1.26 -4.98 118.33 108.45 1cx1 n VAL 7 Ca 0.08 -2.37 -0.35 0.00 -0.01 0.00 0.00 64.34 61.70 1cx1 n VAL 7 Cb 0.45 -0.15 -0.12 0.00 -0.91 0.00 0.00 33.84 33.11 1cx1 n VAL 7 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1cx1 n GLU 8 N 2.24 0.00 -0.37 5.55 4.07 -1.26 -4.62 120.64 126.25 1cx1 n GLU 8 Ca 0.19 0.00 0.09 0.00 -0.06 0.00 0.00 57.16 57.39 1cx1 n GLU 8 Cb 0.55 -1.20 0.28 0.00 -0.06 0.00 0.00 31.44 31.01 1cx1 n GLU 8 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1cx1 n LEU 9 N 8.12 3.83 -4.21 4.31 4.77 -1.18 -4.86 117.00 127.79 1cx1 n LEU 9 Ca 0.52 -2.14 -0.35 0.00 -0.03 0.00 0.00 56.01 54.01 1cx1 n LEU 9 Cb 0.02 -0.44 -0.14 0.00 -2.33 0.00 0.00 43.42 40.53 1cx1 n LEU 9 CO 0.75 0.87 -0.38 -0.22 -1.33 0.00 0.00 177.39 177.08 1cx1 s LEU 10 N -1.26 3.45 0.00 2.23 2.96 -1.26 -4.82 118.68 119.98 1cx1 s LEU 10 Ca 0.42 -0.97 0.00 0.00 -0.22 0.00 0.00 54.13 53.36 1cx1 s LEU 10 Cb 0.24 -1.70 0.00 0.00 0.50 0.00 0.00 46.19 45.23 1cx1 s LEU 10 CO 0.26 -0.17 0.00 -2.65 -1.32 0.00 0.00 176.35 172.46 1cx1 n PRO 11 N 4.68 0.00 -3.64 0.98 -0.02 -1.26 -4.40 135.00 131.33 1cx1 n PRO 11 Ca -0.15 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.27 1cx1 n PRO 11 Cb 0.46 -0.75 -0.07 0.00 -0.02 0.00 0.00 33.50 33.12 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 -0.50 -0.41 -0.38 6.00 5.65 -1.26 -5.05 115.29 119.33 1cx1 s HIS 12 Ca 0.00 0.93 0.01 0.00 0.25 0.00 0.00 55.06 56.25 1cx1 s HIS 12 Cb 0.00 0.36 0.27 0.00 -1.18 0.00 0.00 32.58 32.04 1cx1 s HIS 12 CO 0.00 -0.20 1.15 -2.37 -0.65 0.00 0.00 174.74 172.67 1cx1 n THR 13 N 2.54 0.00 -2.87 0.89 5.66 -1.26 -4.75 114.28 114.49 1cx1 n THR 13 Ca -0.14 -0.96 0.00 0.00 -3.05 0.00 0.00 64.05 59.91 1cx1 n THR 13 Cb 0.56 1.23 0.01 0.00 -1.55 0.00 0.00 70.33 70.58 1cx1 n THR 13 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1cx1 s SER 14 N -0.74 -0.74 -0.36 1.09 0.01 -1.26 -4.56 113.70 107.15 1cx1 s SER 14 Ca 0.27 -0.49 -0.01 0.00 1.31 0.00 0.00 55.95 57.03 1cx1 s SER 14 Cb 0.23 0.95 0.20 0.00 0.21 0.00 0.00 66.02 67.61 1cx1 s SER 14 CO -0.14 -0.07 2.14 0.49 0.41 0.00 0.00 173.24 176.07 1cx1 n PHE 15 N 3.66 1.64 0.00 2.43 3.01 0.18 -4.74 117.46 123.64 1cx1 n PHE 15 Ca 0.09 -2.03 0.00 0.00 1.01 0.00 0.00 57.45 56.52 1cx1 n PHE 15 Cb 0.61 -1.05 0.00 0.00 -0.01 0.00 0.00 39.48 39.03 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 0.36 0.00 -1.65 4.37 0.00 -1.22 -4.11 120.51 118.26 1cx1 n ALA 16 Ca 0.35 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.50 1cx1 n ALA 16 Cb 0.58 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.09 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 0.00 3.08 -3.65 0.00 1.02 -1.26 -3.70 120.64 116.13 1cx1 n GLU 17 Ca 0.00 -3.69 -0.02 0.00 -0.02 0.00 0.00 57.16 53.43 1cx1 n GLU 17 Cb 0.00 -2.27 -0.04 0.00 -0.02 0.00 0.00 31.44 29.11 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 -2.67 -0.03 0.04 1.62 0.01 -1.26 -4.97 113.70 106.45 1cx1 s SER 18 Ca 0.58 0.03 0.21 0.00 1.31 0.00 0.00 55.95 58.08 1cx1 s SER 18 Cb 0.46 0.03 0.88 0.00 0.21 0.00 0.00 66.02 67.59 1cx1 s SER 18 CO 0.01 -0.02 1.67 0.00 0.41 0.00 0.00 173.24 175.31 1cx1 n LEU 19 N 0.63 0.13 0.00 2.44 -0.00 -1.26 -4.31 117.00 114.63 1cx1 n LEU 19 Ca -0.01 0.52 0.00 0.00 -0.00 0.00 0.00 56.01 56.52 1cx1 n LEU 19 Cb 0.59 -0.49 0.00 0.00 -0.00 0.00 0.00 43.42 43.51 1cx1 n LEU 19 CO 0.06 -0.20 0.00 0.61 -0.00 0.00 0.00 177.39 177.87 1cx1 n GLY 20 N 0.60 0.28 0.16 1.47 0.00 -1.26 -3.61 105.19 102.82 1cx1 n GLY 20 Ca 0.05 -0.93 0.06 0.00 0.00 0.00 0.00 46.02 45.20 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 -5.71 1.61 0.13 -1.96 -3.46 132.00 122.60 1cx1 h PRO 21 Ca 0.00 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.95 1cx1 h PRO 21 Cb 0.00 0.00 0.10 0.00 0.13 0.00 0.00 31.00 31.23 1cx1 h PRO 21 CO 0.00 0.29 -0.39 0.91 -0.23 0.00 0.00 178.00 178.57 1cx1 n TRP 22 N -3.12 -1.91 -4.21 1.56 7.02 -1.24 -4.95 117.44 110.59 1cx1 n TRP 22 Ca 0.02 0.26 -0.24 0.00 -1.02 0.00 0.00 57.50 56.52 1cx1 n TRP 22 Cb 0.66 -1.39 -0.07 0.00 -2.42 0.00 0.00 31.31 28.10 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 -1.59 4.46 -0.23 -0.99 0.01 0.11 -4.85 113.70 110.63 1cx1 s SER 23 Ca 0.25 -0.86 -0.15 0.00 1.31 0.00 0.00 55.95 56.49 1cx1 s SER 23 Cb -0.03 -0.65 0.07 0.00 0.21 0.00 0.00 66.02 65.62 1cx1 s SER 23 CO 0.26 -0.26 0.58 -0.76 0.41 0.00 0.00 173.24 173.47 1cx1 s LEU 24 N -3.78 -0.51 0.00 2.44 1.43 -1.26 -2.40 118.68 114.59 1cx1 s LEU 24 Ca 0.36 1.25 0.00 0.00 -1.03 0.00 0.00 54.13 54.71 1cx1 s LEU 24 Cb -0.02 1.98 0.00 0.00 0.03 0.00 0.00 46.19 48.19 1cx1 s LEU 24 CO 0.21 -0.22 0.00 0.00 0.23 0.00 0.00 176.35 176.57 1cx1 n TYR 25 N 3.89 0.00 0.00 0.29 0.18 -1.14 -4.99 117.16 115.39 1cx1 n TYR 25 Ca -0.19 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.59 1cx1 n TYR 25 Cb 0.57 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.53 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 1.71 0.00 -7.48 0.00 -1.26 -2.48 105.19 95.68 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 0.00 0.00 -1.37 2.61 5.66 -1.25 -4.22 114.28 115.72 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 -4.54 1.09 3.41 -1.25 -4.98 113.62 107.35 1cx1 n SER 28 Ca 0.00 -0.28 -0.43 0.00 -0.26 0.00 0.00 58.87 57.91 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 0.51 3.45 0.32 4.33 2.02 -1.26 -4.79 118.70 123.28 1cx1 s GLU 29 Ca 0.00 -0.14 -0.27 0.00 0.02 0.00 0.00 54.97 54.58 1cx1 s GLU 29 Cb 0.00 -3.90 -0.13 0.00 0.10 0.00 0.00 34.13 30.20 1cx1 s GLU 29 CO 0.00 -0.95 0.98 -2.30 0.02 0.00 0.00 175.26 173.01 1cx1 n PRO 30 N 6.33 1.29 -3.82 0.39 -0.02 -1.26 -4.90 135.00 133.01 1cx1 n PRO 30 Ca -0.00 0.45 -0.28 0.00 -2.02 0.00 0.00 63.50 61.65 1cx1 n PRO 30 Cb 0.48 -1.84 -0.16 0.00 -0.02 0.00 0.00 33.50 31.96 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 -1.11 0.89 -0.14 -1.45 1.01 -1.16 -4.96 120.40 113.48 1cx1 s VAL 31 Ca 0.59 -0.68 -0.20 0.00 0.00 0.00 0.00 61.98 61.69 1cx1 s VAL 31 Cb -0.68 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 1cx1 s VAL 31 CO 0.59 -0.07 0.57 0.72 0.00 0.00 0.00 175.10 176.92 1cx1 s PHE 32 N 1.70 3.46 0.00 5.22 -0.12 -1.26 -2.72 117.98 124.27 1cx1 s PHE 32 Ca -0.01 0.95 0.00 0.00 -0.05 0.00 0.00 56.93 57.82 1cx1 s PHE 32 Cb -0.17 -2.69 0.00 0.00 -0.63 0.00 0.00 43.02 39.53 1cx1 s PHE 32 CO -0.07 0.01 0.00 0.00 -0.05 0.00 0.00 175.22 175.11 1cx1 n ALA 33 N 4.26 0.00 -0.20 1.99 0.00 0.56 -4.85 120.51 122.26 1cx1 n ALA 33 Ca -0.04 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.23 1cx1 n ALA 33 Cb 0.51 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.91 1cx1 n ALA 33 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1cx1 n ASP 34 N 0.00 0.46 0.00 0.00 5.75 -1.26 -3.93 116.55 117.56 1cx1 n ASP 34 Ca 0.00 -2.19 0.00 0.00 -0.01 0.00 0.00 54.79 52.59 1cx1 n ASP 34 Cb 0.00 -0.52 0.00 0.00 -1.03 0.00 0.00 41.12 39.57 1cx1 n ASP 34 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cx1 n GLY 35 N 4.36 1.40 3.90 6.12 0.00 -1.26 -4.91 105.19 114.80 1cx1 n GLY 35 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 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 2.54 0.18 1.61 1.70 -1.24 -3.43 118.95 120.31 1cx1 s ARG 36 Ca 0.00 -1.53 -0.10 0.00 -0.47 0.00 0.00 55.73 53.63 1cx1 s ARG 36 Cb 0.00 -2.41 -0.01 0.00 -0.57 0.00 0.00 34.95 31.96 1cx1 s ARG 36 CO 0.00 -0.25 0.32 0.00 -1.08 0.00 0.00 175.30 174.29 1cx1 s MET 37 N -4.18 1.23 0.00 3.89 0.23 -0.96 0.21 119.30 119.72 1cx1 s MET 37 Ca 0.49 -1.19 -0.10 0.00 -1.03 0.00 0.00 55.69 53.85 1cx1 s MET 37 Cb -0.04 0.39 0.01 0.00 -1.53 0.00 0.00 34.83 33.66 1cx1 s MET 37 CO 0.28 -0.47 0.20 0.00 -2.03 0.00 0.00 175.02 173.01 1cx1 s VAL 39 N -1.57 2.71 -0.56 0.00 -7.23 -0.75 -2.99 120.40 110.01 1cx1 s VAL 39 Ca -0.13 -1.46 -0.26 0.00 -1.81 0.00 0.00 61.98 58.32 1cx1 s VAL 39 Cb -0.06 -2.21 0.04 0.00 0.56 0.00 0.00 36.38 34.71 1cx1 s VAL 39 CO 0.02 0.17 1.04 -1.81 -0.31 0.00 0.00 175.10 174.20 1cx1 s ASP 40 N -1.93 6.38 -0.84 4.85 1.11 -1.26 -3.15 116.67 121.82 1cx1 s ASP 40 Ca 0.16 -0.18 0.01 0.00 0.18 0.00 0.00 52.55 52.72 1cx1 s ASP 40 Cb -0.10 -2.48 0.22 0.00 1.07 0.00 0.00 42.92 41.62 1cx1 s ASP 40 CO 0.08 -1.33 0.77 0.18 1.18 0.00 0.00 175.17 176.05 1cx1 n LEU 41 N 7.86 4.06 0.00 1.23 7.99 -0.28 -3.79 117.00 134.07 1cx1 n LEU 41 Ca 0.04 -5.19 0.00 0.00 -0.01 0.00 0.00 56.01 50.85 1cx1 n LEU 41 Cb 0.48 -0.99 0.00 0.00 -0.11 0.00 0.00 43.42 42.80 1cx1 n LEU 41 CO 0.67 1.67 0.00 -0.81 -1.51 0.00 0.00 177.39 177.41 1cx1 n PRO 42 N 1.99 1.10 -2.95 3.23 -0.04 -1.22 0.19 135.00 137.30 1cx1 n PRO 42 Ca 0.23 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.36 1cx1 n PRO 42 Cb 0.37 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.80 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 4.31 5.58 2.15 0.55 0.00 -1.26 -3.12 105.19 113.41 1cx1 n GLY 43 Ca 0.00 -2.71 -0.01 0.00 0.00 0.00 0.00 46.02 43.29 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 0.19 1.45 3.50 -0.02 0.00 -1.26 -4.70 105.19 104.34 1cx1 n GLY 44 Ca 0.35 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.07 3.24 0.06 1.61 -1.52 -1.26 -4.91 119.66 115.80 1cx1 s GLN 45 Ca 0.17 -0.83 0.03 0.00 -1.95 0.00 0.00 55.36 52.79 1cx1 s GLN 45 Cb 0.31 -3.89 0.17 0.00 -0.22 0.00 0.00 33.01 29.37 1cx1 s GLN 45 CO -0.08 -0.60 0.98 0.41 -0.25 0.00 0.00 175.29 175.74 1cx1 n GLY 46 N 5.13 -0.43 3.51 3.09 0.00 -1.26 -4.51 105.19 110.72 1cx1 n GLY 46 Ca -0.12 0.03 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.91 -0.42 0.34 1.61 2.20 -1.26 -5.04 114.94 109.45 1cx1 s ASN 47 Ca -0.00 0.17 0.16 0.00 -0.94 0.00 0.00 52.86 52.25 1cx1 s ASN 47 Cb 0.01 0.41 0.55 0.00 -2.00 0.00 0.00 41.25 40.22 1cx1 s ASN 47 CO 0.03 -0.60 1.68 1.55 -2.94 0.00 0.00 177.10 176.82 1cx1 h PRO 48 N 2.24 0.00 -1.42 3.55 0.13 -1.81 -3.17 132.00 131.52 1cx1 h PRO 48 Ca -0.23 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.79 1cx1 h PRO 48 Cb 1.22 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.29 1cx1 h PRO 48 CO 0.33 0.46 0.14 -2.67 -0.23 0.00 0.00 178.00 176.03 1cx1 n TRP 49 N -3.60 0.59 -2.66 1.56 2.14 -1.26 -3.98 117.44 110.23 1cx1 n TRP 49 Ca -0.00 -1.08 -0.09 0.00 2.07 0.00 0.00 57.50 58.40 1cx1 n TRP 49 Cb 0.55 -0.53 0.03 0.00 -0.81 0.00 0.00 31.31 30.55 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 0.63 2.01 0.00 -0.67 9.92 -1.20 -5.03 116.55 122.22 1cx1 n ASP 50 Ca 0.11 -2.66 0.00 0.00 -0.53 0.00 0.00 54.79 51.72 1cx1 n ASP 50 Cb 0.62 -0.50 0.00 0.00 -0.64 0.00 0.00 41.12 40.61 1cx1 n ASP 50 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1cx1 n ALA 51 N -0.31 0.00 0.00 2.24 0.00 -1.25 -3.75 120.51 117.44 1cx1 n ALA 51 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1cx1 n ALA 51 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.26 1cx1 n ALA 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cx1 n GLY 52 N 0.00 0.90 1.03 0.00 0.00 -1.03 -3.19 105.19 102.89 1cx1 n GLY 52 Ca 0.00 -1.95 -0.09 0.00 0.00 0.00 0.00 46.02 43.97 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 -3.75 0.99 4.32 -1.05 -2.89 117.00 114.62 1cx1 n LEU 53 Ca 0.00 -0.90 -0.07 0.00 -0.02 0.00 0.00 56.01 55.03 1cx1 n LEU 53 Cb 0.00 0.10 -0.02 0.00 -1.62 0.00 0.00 43.42 41.88 1cx1 n LEU 53 CO 0.00 -0.13 0.54 -0.69 -1.22 0.00 0.00 177.39 175.88 1cx1 s VAL 54 N -1.50 0.00 -0.02 4.08 1.01 -1.01 -1.64 120.40 121.33 1cx1 s VAL 54 Ca 0.00 -0.71 -0.30 0.00 0.00 0.00 0.00 61.98 60.98 1cx1 s VAL 54 Cb -0.00 -1.79 0.12 0.00 0.00 0.00 0.00 36.38 34.71 1cx1 s VAL 54 CO 0.00 0.00 1.30 -0.47 0.00 0.00 0.00 175.10 175.93 1cx1 s TYR 55 N -3.69 -0.02 0.00 5.22 5.04 -0.89 0.09 117.35 123.10 1cx1 s TYR 55 Ca 0.09 -0.09 0.00 0.00 -2.44 0.00 0.00 57.07 54.64 1cx1 s TYR 55 Cb -0.04 0.55 0.00 0.00 0.35 0.00 0.00 41.96 42.82 1cx1 s TYR 55 CO 0.02 -0.26 0.00 0.09 -1.34 0.00 0.00 175.55 174.06 1cx1 n ASN 56 N -0.67 1.83 -1.50 4.32 5.03 -1.26 -2.26 115.26 120.74 1cx1 n ASN 56 Ca -0.05 -0.46 -0.00 0.00 0.87 0.00 0.00 54.58 54.94 1cx1 n ASN 56 Cb 0.62 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.38 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 0.33 2.61 7.41 0.00 -1.19 -4.78 105.19 114.57 1cx1 n GLY 57 Ca 0.00 -0.24 -0.13 0.00 0.00 0.00 0.00 46.02 45.65 1cx1 n GLY 57 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1cx1 n VAL 58 N -1.26 -0.47 -2.55 1.61 0.24 -1.26 -4.67 118.33 109.96 1cx1 n VAL 58 Ca -0.00 -1.95 -0.43 0.00 -2.04 0.00 0.00 64.34 59.92 1cx1 n VAL 58 Cb 0.50 -0.03 -0.02 0.00 -1.47 0.00 0.00 33.84 32.82 1cx1 n VAL 58 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1cx1 s PRO 59 N 0.54 4.26 -0.26 7.34 0.04 -1.26 -4.24 135.00 141.41 1cx1 s PRO 59 Ca 0.31 1.50 -0.08 0.00 0.04 0.00 0.00 61.00 62.78 1cx1 s PRO 59 Cb 0.02 -3.69 -0.03 0.00 0.04 0.00 0.00 34.50 30.84 1cx1 s PRO 59 CO -0.11 -0.65 0.09 0.08 0.04 0.00 0.00 177.00 176.45 1cx1 s VAL 60 N 3.27 4.43 -0.37 -0.36 1.01 -0.86 -5.02 120.40 122.50 1cx1 s VAL 60 Ca 0.49 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 62.29 1cx1 s VAL 60 Cb -0.18 -3.11 0.11 0.00 0.00 0.00 0.00 36.38 33.20 1cx1 s VAL 60 CO 0.11 0.28 0.15 -0.83 0.00 0.00 0.00 175.10 174.80 1cx1 s GLY 61 N 1.62 1.50 0.26 4.51 0.00 -1.26 -0.68 107.32 113.27 1cx1 s GLY 61 Ca 0.06 -2.22 -0.18 0.00 0.00 0.00 0.00 44.72 42.38 1cx1 s GLY 61 CO 0.05 1.45 0.15 -1.84 0.00 0.00 0.00 173.10 172.91 1cx1 n GLU 62 N 4.20 0.00 0.00 2.90 0.00 -1.18 -2.24 120.64 124.32 1cx1 n GLU 62 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.19 1cx1 n GLU 62 Cb 0.39 -0.76 0.00 0.00 0.00 0.00 0.00 31.44 31.07 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 1.71 2.72 4.03 -1.84 0.00 -1.25 -4.81 105.19 105.75 1cx1 n GLY 63 Ca 0.10 -0.63 -0.20 0.00 0.00 0.00 0.00 46.02 45.30 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 2.28 -0.09 1.61 2.02 -0.95 -4.99 118.70 118.58 1cx1 s GLU 64 Ca 0.00 -1.63 -0.01 0.00 0.02 0.00 0.00 54.97 53.35 1cx1 s GLU 64 Cb 0.00 -2.64 0.03 0.00 0.10 0.00 0.00 34.13 31.62 1cx1 s GLU 64 CO 0.00 -0.88 -0.04 -1.12 0.02 0.00 0.00 175.26 173.24 1cx1 s SER 65 N -4.67 1.90 0.41 -0.19 0.01 -1.26 -4.07 113.70 105.82 1cx1 s SER 65 Ca 0.62 -0.20 0.01 0.00 1.31 0.00 0.00 55.95 57.69 1cx1 s SER 65 Cb -0.06 -0.64 -0.01 0.00 0.21 0.00 0.00 66.02 65.52 1cx1 s SER 65 CO 0.39 -0.16 0.62 -0.31 0.41 0.00 0.00 173.24 174.19 1cx1 s TYR 66 N 1.84 3.31 -0.23 2.43 2.02 -1.08 -4.62 117.35 121.02 1cx1 s TYR 66 Ca 0.05 0.24 -0.03 0.00 -0.37 0.00 0.00 57.07 56.96 1cx1 s TYR 66 Cb -0.12 -2.15 0.11 0.00 -0.40 0.00 0.00 41.96 39.40 1cx1 s TYR 66 CO -0.07 -0.17 0.27 0.08 -1.57 0.00 0.00 175.55 174.09 1cx1 s VAL 67 N -2.45 -0.40 0.03 0.71 1.01 -0.97 -2.80 120.40 115.54 1cx1 s VAL 67 Ca 0.45 -0.16 -0.08 0.00 0.00 0.00 0.00 61.98 62.20 1cx1 s VAL 67 Cb -0.10 -0.76 -0.05 0.00 0.00 0.00 0.00 36.38 35.48 1cx1 s VAL 67 CO 0.37 -0.22 0.32 -0.22 0.00 0.00 0.00 175.10 175.34 1cx1 s LEU 68 N 2.38 4.36 -0.24 3.92 0.20 -1.18 -1.22 118.68 126.91 1cx1 s LEU 68 Ca 0.09 0.64 -0.04 0.00 0.69 0.00 0.00 54.13 55.51 1cx1 s LEU 68 Cb -0.15 -2.79 0.08 0.00 -0.43 0.00 0.00 46.19 42.90 1cx1 s LEU 68 CO -0.16 0.22 0.10 -0.55 -0.29 0.00 0.00 176.35 175.68 1cx1 s SER 69 N -1.73 3.05 0.05 3.68 0.15 -0.84 -2.60 113.70 115.46 1cx1 s SER 69 Ca 0.30 -1.01 -0.11 0.00 0.70 0.00 0.00 55.95 55.83 1cx1 s SER 69 Cb -0.13 -0.37 -0.06 0.00 -1.71 0.00 0.00 66.02 63.75 1cx1 s SER 69 CO 0.17 -0.39 0.39 0.72 1.20 0.00 0.00 173.24 175.33 1cx1 s PHE 70 N 2.06 3.62 -0.66 3.44 -0.71 -1.12 -2.84 117.98 121.76 1cx1 s PHE 70 Ca 0.05 0.83 -0.17 0.00 -1.04 0.00 0.00 56.93 56.61 1cx1 s PHE 70 Cb -0.16 -2.19 0.14 0.00 -1.21 0.00 0.00 43.02 39.61 1cx1 s PHE 70 CO -0.22 0.56 0.68 0.95 -1.34 0.00 0.00 175.22 175.85 1cx1 s THR 71 N -1.29 5.16 0.28 -4.49 -4.23 -0.17 -2.79 115.64 108.11 1cx1 s THR 71 Ca 0.30 -1.60 -0.19 0.00 -1.18 0.00 0.00 61.69 59.02 1cx1 s THR 71 Cb -0.15 -4.45 0.07 0.00 1.34 0.00 0.00 72.50 69.31 1cx1 s THR 71 CO 0.16 -1.04 0.92 0.00 -0.54 0.00 0.00 174.62 174.12 1cx1 s ALA 72 N 1.65 -1.18 0.03 3.99 0.00 -1.15 -2.38 121.76 122.71 1cx1 s ALA 72 Ca 0.12 -0.53 -0.15 0.00 0.00 0.00 0.00 51.96 51.40 1cx1 s ALA 72 Cb -0.21 0.72 0.02 0.00 0.00 0.00 0.00 23.12 23.65 1cx1 s ALA 72 CO 0.00 -1.03 0.33 -1.54 0.00 0.00 0.00 175.76 173.52 1cx1 s SER 73 N -3.23 -0.17 -0.06 0.00 1.04 -1.09 -2.17 113.70 108.02 1cx1 s SER 73 Ca 0.18 -0.09 -0.12 0.00 0.48 0.00 0.00 55.95 56.41 1cx1 s SER 73 Cb -0.04 0.36 -0.05 0.00 0.10 0.00 0.00 66.02 66.39 1cx1 s SER 73 CO 0.08 -0.58 0.31 0.00 0.98 0.00 0.00 173.24 174.02 1cx1 s ALA 74 N -2.24 3.75 -0.13 5.32 0.00 -0.67 -3.10 121.76 124.69 1cx1 s ALA 74 Ca -0.07 -0.39 -0.03 0.00 0.00 0.00 0.00 51.96 51.47 1cx1 s ALA 74 Cb -0.02 -2.25 0.05 0.00 0.00 0.00 0.00 23.12 20.90 1cx1 s ALA 74 CO -0.01 0.48 0.05 0.95 0.00 0.00 0.00 175.76 177.23 1cx1 s THR 75 N -0.88 0.18 0.00 0.00 -4.23 -1.12 -3.50 115.64 106.10 1cx1 s THR 75 Ca 0.20 -0.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.62 1cx1 s THR 75 Cb -0.15 -0.61 0.00 0.00 1.34 0.00 0.00 72.50 73.09 1cx1 s THR 75 CO 0.09 -0.05 0.00 -0.81 -0.54 0.00 0.00 174.62 173.32 1cx1 n PRO 76 N 5.19 2.79 -3.33 3.99 -0.04 -1.26 -1.76 135.00 140.59 1cx1 n PRO 76 Ca -0.07 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.08 1cx1 n PRO 76 Cb 0.49 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.90 1cx1 n PRO 76 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1cx1 s ASP 77 N -1.77 6.62 0.00 3.54 1.11 -1.25 -4.52 116.67 120.40 1cx1 s ASP 77 Ca 0.00 0.97 0.00 0.00 0.18 0.00 0.00 52.55 53.70 1cx1 s ASP 77 Cb 0.00 -2.25 0.00 0.00 1.07 0.00 0.00 42.92 41.74 1cx1 s ASP 77 CO 0.00 -0.13 0.00 0.23 1.18 0.00 0.00 175.17 176.45 1cx1 n MET 78 N -0.33 0.00 -2.65 8.23 2.81 -1.13 -4.99 117.12 119.06 1cx1 n MET 78 Ca 0.01 0.00 -0.35 0.00 -1.81 0.00 0.00 57.70 55.55 1cx1 n MET 78 Cb 0.53 0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 32.99 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 -2.02 4.13 0.12 0.03 0.04 -1.26 -2.66 135.00 133.38 1cx1 s PRO 79 Ca 0.00 1.34 0.01 0.00 0.04 0.00 0.00 61.00 62.39 1cx1 s PRO 79 Cb 0.00 -2.35 0.01 0.00 0.04 0.00 0.00 34.50 32.20 1cx1 s PRO 79 CO 0.00 -0.14 0.08 1.33 0.04 0.00 0.00 177.00 178.31 1cx1 n VAL 80 N -0.39 0.00 -4.92 -0.36 0.24 0.18 -4.85 118.33 108.23 1cx1 n VAL 80 Ca 0.06 -0.48 -0.28 0.00 -2.04 0.00 0.00 64.34 61.60 1cx1 n VAL 80 Cb 0.52 -0.34 -0.15 0.00 -1.47 0.00 0.00 33.84 32.40 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 -2.48 1.69 -0.01 7.34 3.52 -0.65 -2.69 118.95 125.67 1cx1 s ARG 81 Ca 0.06 -0.94 -0.11 0.00 -0.13 0.00 0.00 55.73 54.61 1cx1 s ARG 81 Cb -0.00 -1.75 0.01 0.00 -1.56 0.00 0.00 34.95 31.64 1cx1 s ARG 81 CO 0.04 0.46 0.22 0.54 -0.81 0.00 0.00 175.30 175.75 1cx1 s VAL 82 N -0.69 0.07 0.00 7.11 0.11 -1.02 -2.75 120.40 123.22 1cx1 s VAL 82 Ca 0.09 -0.55 -0.17 0.00 -2.93 0.00 0.00 61.98 58.42 1cx1 s VAL 82 Cb -0.09 -0.50 0.03 0.00 -1.53 0.00 0.00 36.38 34.28 1cx1 s VAL 82 CO 0.01 -0.30 0.36 -1.48 -3.33 0.00 0.00 175.10 170.36 1cx1 s LEU 83 N -1.25 0.63 0.23 2.54 2.34 -1.06 -2.93 118.68 119.18 1cx1 s LEU 83 Ca -0.13 0.09 -0.12 0.00 0.06 0.00 0.00 54.13 54.03 1cx1 s LEU 83 Cb -0.06 1.49 -0.01 0.00 -0.56 0.00 0.00 46.19 47.05 1cx1 s LEU 83 CO 0.03 -0.53 0.44 -0.69 -1.06 0.00 0.00 176.35 174.54 1cx1 s VAL 84 N -1.70 0.01 -5.00 1.48 1.01 -0.71 -2.37 120.40 113.12 1cx1 s VAL 84 Ca -0.11 -1.41 0.00 0.00 0.00 0.00 0.00 61.98 60.46 1cx1 s VAL 84 Cb -0.03 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 34.19 1cx1 s VAL 84 CO 0.03 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.70 1cx1 n GLY 85 N -0.36 0.62 1.65 4.51 0.00 -0.82 -2.51 105.19 108.28 1cx1 n GLY 85 Ca -0.02 -1.61 -0.10 0.00 0.00 0.00 0.00 46.02 44.28 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 0.17 -2.18 1.61 0.00 -1.26 -1.19 120.64 117.78 1cx1 n GLU 86 Ca 0.00 -1.11 -0.01 0.00 0.00 0.00 0.00 57.16 56.04 1cx1 n GLU 86 Cb 0.00 -0.33 0.04 0.00 0.00 0.00 0.00 31.44 31.15 1cx1 n GLU 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1cx1 n GLY 87 N 1.67 1.46 2.42 -1.84 0.00 -1.26 -4.57 105.19 103.06 1cx1 n GLY 87 Ca 0.07 -0.59 -0.27 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.51 4.57 7.00 -0.02 0.00 -1.06 -4.78 105.19 110.40 1cx1 n GLY 88 Ca -0.06 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.12 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 0.44 3.76 0.02 -0.02 0.00 -1.26 -2.36 105.19 105.77 1cx1 n GLY 89 Ca 0.47 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 11.96 0.24 -1.58 4.61 0.00 -1.26 -4.08 120.51 130.40 1cx1 n ALA 90 Ca 0.00 0.01 -0.14 0.00 0.00 0.00 0.00 53.44 53.31 1cx1 n ALA 90 Cb 0.00 -0.25 -0.12 0.00 0.00 0.00 0.00 19.45 19.08 1cx1 n ALA 90 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1cx1 s TYR 91 N -2.35 1.17 1.10 0.00 1.51 -0.99 -4.89 117.35 112.90 1cx1 s TYR 91 Ca -0.00 2.45 -0.18 0.00 -1.01 0.00 0.00 57.07 58.33 1cx1 s TYR 91 Cb 0.00 -3.28 0.14 0.00 -0.11 0.00 0.00 41.96 38.71 1cx1 s TYR 91 CO 0.01 -0.61 0.11 0.54 -1.11 0.00 0.00 175.55 174.49 1cx1 n ARG 92 N 8.15 -2.01 -4.64 -0.62 3.00 -1.26 -4.45 116.66 114.83 1cx1 n ARG 92 Ca 0.41 -0.58 -0.29 0.00 -0.01 0.00 0.00 57.85 57.38 1cx1 n ARG 92 Cb 0.47 -1.61 -0.09 0.00 0.00 0.00 0.00 32.46 31.23 1cx1 n ARG 92 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 1cx1 s THR 93 N -2.16 1.36 0.00 0.55 -1.32 -1.26 -4.28 115.64 108.53 1cx1 s THR 93 Ca 0.49 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.97 1cx1 s THR 93 Cb -0.09 -2.55 0.00 0.00 -1.51 0.00 0.00 72.50 68.35 1cx1 s THR 93 CO 0.54 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.95 1cx1 n ALA 94 N -1.04 1.33 -1.04 11.08 0.00 -1.25 -4.74 120.51 124.85 1cx1 n ALA 94 Ca -0.10 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.13 1cx1 n ALA 94 Cb 0.67 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.14 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 -0.93 1.72 -2.69 0.00 -0.00 -1.05 -4.82 117.46 109.69 1cx1 n PHE 95 Ca 0.00 -2.07 -0.43 0.00 -0.00 0.00 0.00 57.45 54.95 1cx1 n PHE 95 Cb 0.00 -1.08 -0.00 0.00 -0.00 0.00 0.00 39.48 38.40 1cx1 n PHE 95 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.76 174.76 1cx1 s GLU 96 N -2.00 3.97 -0.18 -4.13 2.12 -1.26 -1.73 118.70 115.49 1cx1 s GLU 96 Ca 0.39 -2.08 0.00 0.00 0.36 0.00 0.00 54.97 53.64 1cx1 s GLU 96 Cb 0.29 -5.37 0.04 0.00 0.26 0.00 0.00 34.13 29.35 1cx1 s GLU 96 CO -0.04 -2.10 -0.07 -1.14 -0.54 0.00 0.00 175.26 171.36 1cx1 s GLN 97 N 3.51 1.68 -0.23 4.30 0.74 -1.15 -4.98 119.66 123.54 1cx1 s GLN 97 Ca 0.50 -0.66 0.14 0.00 0.05 0.00 0.00 55.36 55.39 1cx1 s GLN 97 Cb 0.02 -2.18 0.62 0.00 1.10 0.00 0.00 33.01 32.56 1cx1 s GLN 97 CO 0.04 -0.43 1.56 0.41 -0.55 0.00 0.00 175.29 176.32 1cx1 n GLY 98 N 4.79 3.90 3.14 2.59 0.00 -1.25 -2.44 105.19 115.93 1cx1 n GLY 98 Ca -0.13 -1.04 -0.38 0.00 0.00 0.00 0.00 46.02 44.47 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 -1.64 5.52 -0.49 1.61 0.01 -1.26 -4.30 113.70 113.15 1cx1 s SER 99 Ca 0.47 -2.79 0.03 0.00 1.31 0.00 0.00 55.95 54.98 1cx1 s SER 99 Cb 0.38 -1.92 0.15 0.00 0.21 0.00 0.00 66.02 64.84 1cx1 s SER 99 CO 0.10 -0.42 0.30 0.00 0.41 0.00 0.00 173.24 173.63 1cx1 s ALA 100 N 0.04 2.50 -0.02 1.44 0.00 -1.09 -4.96 121.76 119.67 1cx1 s ALA 100 Ca 0.17 -2.89 -0.31 0.00 0.00 0.00 0.00 51.96 48.93 1cx1 s ALA 100 Cb -0.19 -1.93 -0.09 0.00 0.00 0.00 0.00 23.12 20.91 1cx1 s ALA 100 CO -0.04 -2.05 1.99 -2.30 0.00 0.00 0.00 175.76 173.35 1cx1 n PRO 101 N 3.11 2.63 -4.57 0.00 -0.02 -1.26 -0.65 135.00 134.24 1cx1 n PRO 101 Ca 0.13 0.94 -0.26 0.00 -2.02 0.00 0.00 63.50 62.29 1cx1 n PRO 101 Cb 0.36 -2.95 -0.11 0.00 -0.02 0.00 0.00 33.50 30.78 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 4.80 2.76 0.00 2.45 1.43 -1.09 -4.90 118.68 124.13 1cx1 s LEU 102 Ca 0.91 -1.30 0.01 0.00 -1.03 0.00 0.00 54.13 52.72 1cx1 s LEU 102 Cb -0.48 -0.88 -0.00 0.00 0.03 0.00 0.00 46.19 44.85 1cx1 s LEU 102 CO 0.44 -0.37 0.03 1.07 0.23 0.00 0.00 176.35 177.74 1cx1 n THR 103 N -0.87 0.00 -2.04 5.49 5.66 -1.26 -2.84 114.28 118.42 1cx1 n THR 103 Ca -0.05 -1.92 -0.39 0.00 -3.05 0.00 0.00 64.05 58.64 1cx1 n THR 103 Cb 0.66 0.47 -0.00 0.00 -1.55 0.00 0.00 70.33 69.90 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 5.28 3.65 1.09 0.00 -1.23 -1.67 105.19 112.37 1cx1 n GLY 104 Ca -0.14 -2.11 -0.02 0.00 0.00 0.00 0.00 46.02 43.75 1cx1 n GLY 104 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1cx1 s GLU 105 N -1.63 0.30 -0.34 1.61 2.12 -1.26 -5.01 118.70 114.48 1cx1 s GLU 105 Ca 0.53 0.49 -0.44 0.00 0.36 0.00 0.00 54.97 55.90 1cx1 s GLU 105 Cb 0.20 0.08 -0.19 0.00 0.26 0.00 0.00 34.13 34.47 1cx1 s GLU 105 CO -0.11 -0.06 1.48 -2.30 -0.54 0.00 0.00 175.26 173.73 1cx1 n PRO 106 N 3.27 0.15 -3.58 4.30 -0.02 -1.26 -4.67 135.00 133.19 1cx1 n PRO 106 Ca -0.17 0.05 -0.14 0.00 -2.02 0.00 0.00 63.50 61.23 1cx1 n PRO 106 Cb 0.57 -1.58 -0.06 0.00 -0.02 0.00 0.00 33.50 32.41 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 2.28 -1.85 0.24 3.55 0.00 -0.92 -4.97 121.76 120.08 1cx1 s ALA 107 Ca 1.00 1.64 -0.09 0.00 0.00 0.00 0.00 51.96 54.51 1cx1 s ALA 107 Cb -1.39 -0.70 -0.07 0.00 0.00 0.00 0.00 23.12 20.96 1cx1 s ALA 107 CO 0.73 -0.32 0.56 0.95 0.00 0.00 0.00 175.76 177.68 1cx1 s THR 108 N -0.58 4.93 0.12 0.00 -4.23 -1.26 -2.93 115.64 111.70 1cx1 s THR 108 Ca -0.04 0.46 0.08 0.00 -1.18 0.00 0.00 61.69 61.01 1cx1 s THR 108 Cb -0.02 -3.62 -0.04 0.00 1.34 0.00 0.00 72.50 70.16 1cx1 s THR 108 CO 0.03 -0.09 -0.18 -0.13 -0.54 0.00 0.00 174.62 173.71 1cx1 s ARG 109 N -2.87 1.11 0.20 3.99 1.81 -1.12 -4.96 118.95 117.11 1cx1 s ARG 109 Ca 0.47 -1.22 0.09 0.00 -1.72 0.00 0.00 55.73 53.35 1cx1 s ARG 109 Cb -0.11 -1.22 -0.05 0.00 -0.45 0.00 0.00 34.95 33.12 1cx1 s ARG 109 CO 0.22 0.26 -0.17 -1.21 -0.68 0.00 0.00 175.30 173.73 1cx1 s GLU 110 N -2.28 1.36 -0.29 3.54 8.01 -1.26 -2.81 118.70 124.97 1cx1 s GLU 110 Ca 0.09 -1.55 0.03 0.00 0.01 0.00 0.00 54.97 53.54 1cx1 s GLU 110 Cb -0.08 -1.29 0.20 0.00 -4.31 0.00 0.00 34.13 28.64 1cx1 s GLU 110 CO 0.04 0.24 0.61 0.71 0.01 0.00 0.00 175.26 176.87 1cx1 s TYR 111 N -2.57 -1.73 0.41 1.61 2.02 -1.07 -4.98 117.35 111.03 1cx1 s TYR 111 Ca 0.21 1.26 0.07 0.00 -0.37 0.00 0.00 57.07 58.25 1cx1 s TYR 111 Cb -0.03 0.39 -0.05 0.00 -0.40 0.00 0.00 41.96 41.87 1cx1 s TYR 111 CO 0.08 -0.99 0.17 0.00 -1.57 0.00 0.00 175.55 173.24 1cx1 s ALA 112 N 2.84 3.56 -0.01 3.71 0.00 -1.26 -3.10 121.76 127.50 1cx1 s ALA 112 Ca 0.14 -2.10 -0.10 0.00 0.00 0.00 0.00 51.96 49.90 1cx1 s ALA 112 Cb -0.11 -0.38 0.03 0.00 0.00 0.00 0.00 23.12 22.66 1cx1 s ALA 112 CO -0.24 -0.15 0.46 1.97 0.00 0.00 0.00 175.76 177.80 1cx1 n PHE 113 N -1.22 -0.19 -4.39 0.00 -1.74 -1.12 -4.96 117.46 103.84 1cx1 n PHE 113 Ca -0.01 -0.24 -0.29 0.00 -0.56 0.00 0.00 57.45 56.36 1cx1 n PHE 113 Cb 0.64 0.11 -0.13 0.00 1.52 0.00 0.00 39.48 41.62 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 -2.09 2.33 0.61 1.97 -4.23 -1.26 -2.64 115.64 110.33 1cx1 s THR 114 Ca 0.11 -1.80 -0.02 0.00 -1.18 0.00 0.00 61.69 58.80 1cx1 s THR 114 Cb -0.00 -2.05 0.04 0.00 1.34 0.00 0.00 72.50 71.83 1cx1 s THR 114 CO -0.00 0.05 0.86 -0.94 -0.54 0.00 0.00 174.62 174.05 1cx1 s SER 115 N -2.20 5.12 0.00 3.99 1.04 -1.26 -4.92 113.70 115.47 1cx1 s SER 115 Ca 0.16 0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.77 1cx1 s SER 115 Cb -0.10 -0.99 0.00 0.00 0.10 0.00 0.00 66.02 65.04 1cx1 s SER 115 CO 0.07 -1.30 0.00 0.59 0.98 0.00 0.00 173.24 173.58 1cx1 n ASN 116 N -2.56 3.73 -4.42 7.02 4.13 -1.26 -3.75 115.26 118.16 1cx1 n ASN 116 Ca 0.08 0.00 -0.22 0.00 1.68 0.00 0.00 54.58 56.12 1cx1 n ASN 116 Cb 0.60 0.74 -0.10 0.00 -1.54 0.00 0.00 39.78 39.47 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 -2.27 2.14 -0.49 3.41 0.20 -1.26 -4.80 118.68 115.61 1cx1 s LEU 117 Ca 0.00 -1.41 -0.22 0.00 0.69 0.00 0.00 54.13 53.19 1cx1 s LEU 117 Cb 0.00 -0.34 0.04 0.00 -0.43 0.00 0.00 46.19 45.46 1cx1 s LEU 117 CO 0.00 -0.65 0.77 0.42 -0.29 0.00 0.00 176.35 176.60 1cx1 s THR 118 N -3.31 4.66 -0.74 3.68 -4.23 -1.26 -3.12 115.64 111.32 1cx1 s THR 118 Ca 0.35 0.12 0.04 0.00 -1.18 0.00 0.00 61.69 61.01 1cx1 s THR 118 Cb 0.08 -4.36 0.22 0.00 1.34 0.00 0.00 72.50 69.78 1cx1 s THR 118 CO 0.15 -0.83 0.70 0.49 -0.54 0.00 0.00 174.62 174.59 1cx1 n PHE 119 N 6.73 3.53 -1.66 3.99 3.72 0.14 -5.04 117.46 128.86 1cx1 n PHE 119 Ca -0.01 -4.13 -0.30 0.00 -0.05 0.00 0.00 57.45 52.96 1cx1 n PHE 119 Cb 0.47 -0.73 0.06 0.00 -0.94 0.00 0.00 39.48 38.34 1cx1 n PHE 119 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1cx1 s PRO 120 N -1.90 2.57 0.13 -1.08 0.04 -1.26 -2.03 135.00 131.47 1cx1 s PRO 120 Ca 0.31 0.68 0.27 0.00 0.04 0.00 0.00 61.00 62.30 1cx1 s PRO 120 Cb 0.03 -1.97 0.97 0.00 0.04 0.00 0.00 34.50 33.57 1cx1 s PRO 120 CO -0.09 -1.28 1.83 -0.35 0.04 0.00 0.00 177.00 177.15 1cx1 n PRO 121 N -3.21 0.16 -4.40 0.56 -0.04 -1.24 -4.19 135.00 122.64 1cx1 n PRO 121 Ca 0.07 0.13 -0.34 0.00 -0.04 0.00 0.00 63.50 63.33 1cx1 n PRO 121 Cb 0.56 -1.69 -0.12 0.00 -0.04 0.00 0.00 33.50 32.20 1cx1 n PRO 121 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1cx1 s ASP 122 N -3.95 4.73 0.00 3.54 1.47 -1.26 -3.01 116.67 118.18 1cx1 s ASP 122 Ca 0.12 -0.15 0.00 0.00 1.18 0.00 0.00 52.55 53.70 1cx1 s ASP 122 Cb 0.15 -1.77 0.00 0.00 -0.34 0.00 0.00 42.92 40.96 1cx1 s ASP 122 CO 0.57 0.16 0.00 0.61 0.68 0.00 0.00 175.17 177.19 1cx1 n GLY 123 N 3.59 2.56 2.49 2.12 0.00 -1.26 -4.79 105.19 109.91 1cx1 n GLY 123 Ca -0.17 -0.69 -0.04 0.00 0.00 0.00 0.00 46.02 45.12 1cx1 n GLY 123 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1cx1 n ASP 124 N 0.00 -1.14 0.00 1.61 -0.08 -1.26 -5.03 116.55 110.65 1cx1 n ASP 124 Ca 0.00 -1.75 0.00 0.00 -1.51 0.00 0.00 54.79 51.53 1cx1 n ASP 124 Cb 0.00 0.83 0.00 0.00 2.34 0.00 0.00 41.12 44.29 1cx1 n ASP 124 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1cx1 n ALA 125 N -0.54 0.00 0.00 -1.67 0.00 -1.26 -2.55 120.51 114.49 1cx1 n ALA 125 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1cx1 n ALA 125 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.13 1cx1 n ALA 125 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1cx1 n PRO 126 N 0.00 0.00 0.00 0.00 -0.04 -1.16 -3.69 135.00 130.10 1cx1 n PRO 126 Ca 0.00 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1cx1 n PRO 126 Cb 0.00 -1.58 0.00 0.00 -0.04 0.00 0.00 33.50 31.88 1cx1 n PRO 126 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1cx1 n GLY 127 N -0.84 3.54 3.07 0.55 0.00 -1.26 -3.15 105.19 107.10 1cx1 n GLY 127 Ca 0.00 -1.69 -0.12 0.00 0.00 0.00 0.00 46.02 44.20 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 -3.98 0.22 -0.35 1.61 -0.44 -0.33 -4.47 119.66 111.92 1cx1 s GLN 128 Ca 0.00 0.56 0.04 0.00 -2.50 0.00 0.00 55.36 53.46 1cx1 s GLN 128 Cb 0.00 -0.11 0.17 0.00 -1.64 0.00 0.00 33.01 31.42 1cx1 s GLN 128 CO 0.00 -0.17 0.46 0.54 0.50 0.00 0.00 175.29 176.63 1cx1 s VAL 129 N 1.31 -0.64 -0.13 1.34 0.11 -0.96 -1.94 120.40 119.48 1cx1 s VAL 129 Ca -0.09 -0.45 -0.06 0.00 -2.93 0.00 0.00 61.98 58.45 1cx1 s VAL 129 Cb -0.10 -0.64 -0.04 0.00 -1.53 0.00 0.00 36.38 34.07 1cx1 s VAL 129 CO -0.09 -0.30 0.08 0.00 -3.33 0.00 0.00 175.10 171.46 1cx1 s ALA 130 N 2.00 3.57 -0.58 1.54 0.00 -1.00 -2.10 121.76 125.19 1cx1 s ALA 130 Ca 0.14 -0.72 -0.10 0.00 0.00 0.00 0.00 51.96 51.29 1cx1 s ALA 130 Cb -0.11 -1.84 0.15 0.00 0.00 0.00 0.00 23.12 21.32 1cx1 s ALA 130 CO -0.15 0.45 0.47 -0.06 0.00 0.00 0.00 175.76 176.47 1cx1 s PHE 131 N -0.49 3.48 -0.21 0.00 0.40 -0.65 -2.55 117.98 117.95 1cx1 s PHE 131 Ca 0.11 -2.02 -0.10 0.00 -0.60 0.00 0.00 56.93 54.32 1cx1 s PHE 131 Cb -0.12 -3.54 -0.05 0.00 0.51 0.00 0.00 43.02 39.83 1cx1 s PHE 131 CO 0.02 -0.97 0.14 -1.01 0.70 0.00 0.00 175.22 174.10 1cx1 s HIS 132 N 0.85 3.39 0.00 0.36 3.76 -1.11 -2.53 115.29 120.01 1cx1 s HIS 132 Ca 0.10 0.31 0.00 0.00 -0.15 0.00 0.00 55.06 55.33 1cx1 s HIS 132 Cb -0.22 -2.18 0.00 0.00 1.11 0.00 0.00 32.58 31.29 1cx1 s HIS 132 CO -0.03 0.25 0.00 1.28 -0.85 0.00 0.00 174.74 175.39 1cx1 n LEU 133 N 3.66 0.00 -4.46 0.89 4.32 -1.19 -1.64 117.00 118.58 1cx1 n LEU 133 Ca -0.16 0.00 -0.42 0.00 -0.02 0.00 0.00 56.01 55.41 1cx1 n LEU 133 Cb 0.52 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.32 1cx1 n LEU 133 CO 0.37 0.00 0.10 0.61 -1.22 0.00 0.00 177.39 177.25 1cx1 n GLY 134 N 1.41 -1.41 3.63 -0.72 0.00 -1.25 -4.68 105.19 102.17 1cx1 n GLY 134 Ca 0.00 0.08 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 1cx1 n GLY 134 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cx1 s LYS 135 N -1.55 0.69 0.63 1.61 1.02 -1.26 -4.60 119.74 116.29 1cx1 s LYS 135 Ca 0.63 0.74 0.03 0.00 0.02 0.00 0.00 55.97 57.38 1cx1 s LYS 135 Cb -0.63 0.33 0.11 0.00 -0.52 0.00 0.00 37.83 37.12 1cx1 s LYS 135 CO 0.58 -0.10 1.00 0.00 -0.92 0.00 0.00 175.35 175.91 1cx1 n ALA 136 N 2.28 0.12 -1.40 5.17 0.00 -1.26 0.35 120.51 125.76 1cx1 n ALA 136 Ca -0.13 0.04 0.04 0.00 0.00 0.00 0.00 53.44 53.38 1cx1 n ALA 136 Cb 0.56 -0.07 0.05 0.00 0.00 0.00 0.00 19.45 19.99 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 -1.49 1.86 0.00 0.00 0.00 -1.26 -4.09 105.19 100.21 1cx1 n GLY 137 Ca 0.03 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.55 0.00 -2.00 4.61 0.00 1.08 -4.81 120.51 118.85 1cx1 n ALA 138 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1cx1 n ALA 138 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 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 -1.62 0.00 -4.12 0.00 4.11 0.51 -4.50 117.16 111.55 1cx1 n TYR 139 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.90 57.76 1cx1 n TYR 139 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 39.34 39.23 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 2.08 0.68 -0.07 -3.48 2.02 -0.72 -1.12 118.70 118.09 1cx1 s GLU 140 Ca 0.00 -0.96 -0.00 0.00 0.02 0.00 0.00 54.97 54.03 1cx1 s GLU 140 Cb 0.00 -0.40 0.02 0.00 0.10 0.00 0.00 34.13 33.86 1cx1 s GLU 140 CO 0.00 0.06 -0.03 0.12 0.02 0.00 0.00 175.26 175.44 1cx1 s PHE 141 N -1.95 0.80 -0.23 1.61 5.36 -1.19 -2.78 117.98 119.61 1cx1 s PHE 141 Ca -0.02 -0.26 -0.03 0.00 -0.96 0.00 0.00 56.93 55.66 1cx1 s PHE 141 Cb -0.06 -0.80 0.00 0.00 -0.34 0.00 0.00 43.02 41.82 1cx1 s PHE 141 CO -0.00 -0.30 -0.05 0.00 -1.46 0.00 0.00 175.22 173.41 1cx1 s ILE 143 N 1.44 1.25 0.00 0.00 2.07 -0.44 -2.68 121.20 122.84 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 -0.15 -1.11 0.00 0.00 0.13 0.00 0.00 42.46 41.33 1cx1 s ILE 143 CO -0.04 0.08 0.00 -1.54 -1.91 0.00 0.00 174.94 171.54 1cx1 n SER 144 N 1.96 1.13 -3.87 4.50 3.41 -1.00 -2.27 113.62 117.47 1cx1 n SER 144 Ca -0.17 -0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.34 1cx1 n SER 144 Cb 0.54 0.23 -0.06 0.00 -0.26 0.00 0.00 64.21 64.66 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 -0.46 1.08 -0.30 4.33 -1.52 -1.25 0.50 119.66 122.05 1cx1 s GLN 145 Ca 0.00 -1.03 -0.18 0.00 -1.95 0.00 0.00 55.36 52.20 1cx1 s GLN 145 Cb 0.00 0.39 0.19 0.00 -0.22 0.00 0.00 33.01 33.38 1cx1 s GLN 145 CO 0.00 -0.40 1.23 0.54 -0.25 0.00 0.00 175.29 176.41 1cx1 s VAL 146 N -3.91 -0.09 -0.09 1.09 0.11 -1.26 -1.00 120.40 115.24 1cx1 s VAL 146 Ca 0.11 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.86 1cx1 s VAL 146 Cb 0.03 -1.00 0.10 0.00 -1.53 0.00 0.00 36.38 33.99 1cx1 s VAL 146 CO -0.05 0.00 0.87 -0.44 -3.33 0.00 0.00 175.10 172.15 1cx1 s SER 147 N 1.78 -0.47 0.45 3.54 0.01 -1.13 -4.26 113.70 113.63 1cx1 s SER 147 Ca -0.03 0.44 0.06 0.00 1.31 0.00 0.00 55.95 57.73 1cx1 s SER 147 Cb -0.02 0.40 -0.04 0.00 0.21 0.00 0.00 66.02 66.57 1cx1 s SER 147 CO -0.14 -0.48 0.14 -1.48 0.41 0.00 0.00 173.24 171.68 1cx1 s LEU 148 N -1.36 2.82 0.00 2.44 2.34 -1.26 -1.98 118.68 121.67 1cx1 s LEU 148 Ca -0.04 -1.30 0.00 0.00 0.06 0.00 0.00 54.13 52.86 1cx1 s LEU 148 Cb -0.00 -1.13 0.00 0.00 -0.56 0.00 0.00 46.19 44.50 1cx1 s LEU 148 CO 0.02 -0.68 0.00 1.07 -1.06 0.00 0.00 176.35 175.71 1cx1 n THR 149 N -1.27 0.00 -1.60 5.48 5.66 -0.36 -3.12 114.28 119.08 1cx1 n THR 149 Ca -0.06 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.94 1cx1 n THR 149 Cb 0.66 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.44 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 -3.32 1.09 5.66 -1.26 -2.29 114.28 114.16 1cx1 n THR 150 Ca 0.00 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.89 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 -0.94 -3.05 0.00 0.00 175.07 171.08 1cx1 s SER 151 N 2.00 0.61 0.10 1.09 1.04 -1.26 -4.63 113.70 112.66 1cx1 s SER 151 Ca 0.00 -0.51 -0.02 0.00 0.48 0.00 0.00 55.95 55.90 1cx1 s SER 151 Cb 0.00 0.99 0.01 0.00 0.10 0.00 0.00 66.02 67.12 1cx1 s SER 151 CO 0.00 -0.35 0.18 0.00 0.98 0.00 0.00 173.24 174.05 1cx1 n ALA 152 N 5.29 -0.31 -0.59 5.32 0.00 -1.26 -4.20 120.51 124.75 1cx1 n ALA 152 Ca 0.01 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1cx1 n ALA 152 Cb 0.49 0.32 0.00 0.00 0.00 0.00 0.00 19.45 20.26 1cx1 n ALA 152 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91