#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 -4.88 -2.81 0.00 2.88 -0.42 -4.73 113.62 103.66 1cx1 n SER 2 Ca 0.00 -0.73 -0.09 0.00 -1.33 0.00 0.00 58.87 56.72 1cx1 n SER 2 Cb 0.00 -4.16 0.06 0.00 -0.75 0.00 0.00 64.21 59.36 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 -4.73 0.00 0.00 2.46 4.77 -1.26 -4.99 117.00 113.26 1cx1 n LEU 3 Ca 0.01 -0.65 0.00 0.00 -0.03 0.00 0.00 56.01 55.33 1cx1 n LEU 3 Cb 0.54 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1cx1 n LEU 3 CO 0.73 -0.75 0.00 -0.67 -1.33 0.00 0.00 177.39 175.36 1cx1 n ASP 4 N -3.13 0.00 -3.05 -1.43 2.03 -1.26 -4.89 116.55 104.82 1cx1 n ASP 4 Ca 0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.37 1cx1 n ASP 4 Cb 0.21 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.61 1cx1 n ASP 4 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1cx1 n SER 5 N 0.00 -0.78 -4.64 1.67 2.88 -1.26 -4.71 113.62 106.77 1cx1 n SER 5 Ca 0.00 0.00 -0.46 0.00 -1.33 0.00 0.00 58.87 57.08 1cx1 n SER 5 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1cx1 n SER 5 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1cx1 n GLU 6 N -0.78 1.77 -2.03 -1.46 0.00 -1.26 -4.79 120.64 112.08 1cx1 n GLU 6 Ca 0.00 0.63 -0.39 0.00 0.00 0.00 0.00 57.16 57.40 1cx1 n GLU 6 Cb 0.00 -2.22 -0.03 0.00 0.00 0.00 0.00 31.44 29.19 1cx1 n GLU 6 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1cx1 n VAL 7 N 1.62 2.91 -2.47 3.84 0.31 -1.26 -4.91 118.33 118.37 1cx1 n VAL 7 Ca 0.12 -2.87 -0.43 0.00 -0.01 0.00 0.00 64.34 61.15 1cx1 n VAL 7 Cb 0.30 -2.34 -0.02 0.00 -0.91 0.00 0.00 33.84 30.86 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 4.80 3.58 -0.11 5.55 2.12 -1.26 -3.81 118.70 129.57 1cx1 s GLU 8 Ca 0.57 0.67 -0.28 0.00 0.36 0.00 0.00 54.97 56.29 1cx1 s GLU 8 Cb 0.06 -4.00 -0.25 0.00 0.26 0.00 0.00 34.13 30.21 1cx1 s GLU 8 CO 0.07 -1.56 0.87 -0.07 -0.54 0.00 0.00 175.26 174.03 1cx1 h LEU 9 N 11.95 -0.00 -8.48 2.70 3.38 -1.84 -3.42 115.31 119.60 1cx1 h LEU 9 Ca -0.26 -0.88 -0.70 0.00 0.09 0.00 0.00 57.88 56.14 1cx1 h LEU 9 Cb 1.08 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.64 1cx1 h LEU 9 CO 1.12 0.88 -0.17 -0.22 0.09 0.00 0.00 178.44 180.15 1cx1 s LEU 10 N -8.44 4.97 0.00 1.67 0.20 -1.26 -4.93 118.68 110.89 1cx1 s LEU 10 Ca -0.18 -0.79 0.00 0.00 0.69 0.00 0.00 54.13 53.85 1cx1 s LEU 10 Cb -0.02 -2.38 0.00 0.00 -0.43 0.00 0.00 46.19 43.36 1cx1 s LEU 10 CO 0.68 -0.65 0.85 -0.81 -0.29 0.00 0.00 176.35 176.13 1cx1 n PRO 11 N 5.67 0.88 -3.48 0.98 -0.04 -1.26 -4.37 135.00 133.39 1cx1 n PRO 11 Ca -0.08 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.12 1cx1 n PRO 11 Cb 0.47 -1.09 -0.09 0.00 -0.04 0.00 0.00 33.50 32.75 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 0.51 2.68 -1.83 0.54 -0.00 -1.26 -4.89 115.22 110.97 1cx1 n HIS 12 Ca 0.00 -4.05 -0.29 0.00 -0.00 0.00 0.00 57.72 53.38 1cx1 n HIS 12 Cb 0.42 -0.49 0.04 0.00 -0.00 0.00 0.00 29.99 29.96 1cx1 n HIS 12 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.34 173.97 1cx1 n THR 13 N 1.26 2.95 -3.18 3.57 5.66 -1.25 -4.73 114.28 118.56 1cx1 n THR 13 Ca 0.27 -3.87 -0.25 0.00 -3.05 0.00 0.00 64.05 57.14 1cx1 n THR 13 Cb 0.42 -1.17 -0.06 0.00 -1.55 0.00 0.00 70.33 67.98 1cx1 n THR 13 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1cx1 n SER 14 N -0.74 2.87 -0.55 1.09 7.64 -1.26 -3.38 113.62 119.29 1cx1 n SER 14 Ca 0.50 -3.32 0.00 0.00 1.01 0.00 0.00 58.87 57.06 1cx1 n SER 14 Cb 0.79 -0.62 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 1cx1 n SER 14 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1cx1 n PHE 15 N 0.48 0.00 0.10 1.43 3.01 0.58 -2.66 117.46 120.40 1cx1 n PHE 15 Ca 0.28 -0.02 0.11 0.00 1.01 0.00 0.00 57.45 58.83 1cx1 n PHE 15 Cb 0.47 -0.05 -0.01 0.00 -0.01 0.00 0.00 39.48 39.88 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 0.37 2.47 -1.39 4.37 0.00 -1.09 -2.54 120.51 122.71 1cx1 n ALA 16 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1cx1 n ALA 16 Cb 0.10 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 -2.69 0.00 -4.05 0.00 1.02 -1.09 -3.65 120.64 110.18 1cx1 n GLU 17 Ca -0.01 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.84 1cx1 n GLU 17 Cb 0.57 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.94 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 -0.01 5.62 0.20 1.62 0.01 -1.26 -4.77 113.70 115.11 1cx1 s SER 18 Ca 0.00 -0.02 -0.12 0.00 1.31 0.00 0.00 55.95 57.12 1cx1 s SER 18 Cb 0.00 -1.52 0.24 0.00 0.21 0.00 0.00 66.02 64.95 1cx1 s SER 18 CO 0.00 0.13 1.69 0.25 0.41 0.00 0.00 173.24 175.72 1cx1 h LEU 19 N 2.95 -0.16 0.00 2.44 5.85 -1.91 -3.42 115.31 121.07 1cx1 h LEU 19 Ca -0.47 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.37 1cx1 h LEU 19 Cb 1.18 0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.41 1cx1 h LEU 19 CO 0.66 -0.06 0.00 0.61 -0.34 0.00 0.00 178.44 179.31 1cx1 n GLY 20 N -1.32 -2.13 0.24 3.75 0.00 -1.26 -4.54 105.19 99.93 1cx1 n GLY 20 Ca 0.07 -2.11 0.16 0.00 0.00 0.00 0.00 46.02 44.14 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 1.14 0.00 0.00 1.61 0.13 -1.95 -3.44 132.00 129.49 1cx1 h PRO 21 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1cx1 h PRO 21 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1cx1 h PRO 21 CO 0.00 0.00 0.00 0.91 -0.23 0.00 0.00 178.00 178.68 1cx1 n TRP 22 N -2.83 -1.10 -3.72 1.56 7.02 -1.26 -5.01 117.44 112.09 1cx1 n TRP 22 Ca 0.01 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.36 1cx1 n TRP 22 Cb 0.26 0.00 -0.10 0.00 -2.42 0.00 0.00 31.31 29.05 1cx1 n TRP 22 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 1cx1 s SER 23 N -2.06 -0.46 0.08 -0.99 0.01 -1.11 -4.99 113.70 104.18 1cx1 s SER 23 Ca 0.00 0.85 0.04 0.00 1.31 0.00 0.00 55.95 58.14 1cx1 s SER 23 Cb 0.00 0.82 -0.03 0.00 0.21 0.00 0.00 66.02 67.01 1cx1 s SER 23 CO 0.00 -0.16 -0.10 -0.22 0.41 0.00 0.00 173.24 173.17 1cx1 s LEU 24 N 0.60 2.34 0.00 2.44 0.20 -1.26 -1.08 118.68 121.92 1cx1 s LEU 24 Ca -0.03 -0.70 0.00 0.00 0.69 0.00 0.00 54.13 54.09 1cx1 s LEU 24 Cb -0.05 -0.31 0.00 0.00 -0.43 0.00 0.00 46.19 45.40 1cx1 s LEU 24 CO -0.04 -0.21 0.00 0.00 -0.29 0.00 0.00 176.35 175.82 1cx1 n TYR 25 N 0.96 0.00 0.00 5.38 0.18 -0.99 -5.01 117.16 117.67 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 0.56 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.52 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 -0.66 2.81 0.00 -7.48 0.00 -1.26 -1.75 105.19 96.86 1cx1 n GLY 26 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1cx1 n GLY 26 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1cx1 n THR 27 N 0.00 0.00 -3.36 2.61 5.66 -1.26 -4.83 114.28 113.11 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 -0.00 6.97 -0.06 1.09 1.04 -1.24 -4.94 113.70 116.56 1cx1 s SER 28 Ca 0.00 1.15 -0.35 0.00 0.48 0.00 0.00 55.95 57.24 1cx1 s SER 28 Cb 0.00 -2.32 -0.17 0.00 0.10 0.00 0.00 66.02 63.63 1cx1 s SER 28 CO 0.00 0.28 0.97 -0.62 0.98 0.00 0.00 173.24 174.85 1cx1 n GLU 29 N 1.70 0.00 -1.50 4.02 4.71 -1.26 -4.25 120.64 124.06 1cx1 n GLU 29 Ca -0.11 0.00 -0.31 0.00 -0.01 0.00 0.00 57.16 56.72 1cx1 n GLU 29 Cb 0.51 -1.27 0.07 0.00 -1.01 0.00 0.00 31.44 29.74 1cx1 n GLU 29 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 1cx1 s PRO 30 N 0.34 2.64 -0.15 3.49 0.04 -1.26 -4.83 135.00 135.27 1cx1 s PRO 30 Ca 0.79 1.14 -0.04 0.00 0.04 0.00 0.00 61.00 62.93 1cx1 s PRO 30 Cb -1.10 -1.94 0.07 0.00 0.04 0.00 0.00 34.50 31.57 1cx1 s PRO 30 CO 0.51 -1.35 0.23 0.08 0.04 0.00 0.00 177.00 176.52 1cx1 s VAL 31 N -2.82 -0.36 -0.92 -0.36 1.01 -1.12 -4.93 120.40 110.90 1cx1 s VAL 31 Ca 0.61 0.15 -0.22 0.00 0.00 0.00 0.00 61.98 62.53 1cx1 s VAL 31 Cb -0.17 -0.51 -0.12 0.00 0.00 0.00 0.00 36.38 35.58 1cx1 s VAL 31 CO 0.52 0.01 1.94 2.22 0.00 0.00 0.00 175.10 179.78 1cx1 n PHE 32 N 5.34 2.25 0.00 5.22 1.16 -1.25 -2.93 117.46 127.25 1cx1 n PHE 32 Ca -0.05 -1.82 0.00 0.00 -1.87 0.00 0.00 57.45 53.70 1cx1 n PHE 32 Cb 0.50 -1.99 0.00 0.00 -1.61 0.00 0.00 39.48 36.38 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 9.02 0.00 -1.31 1.98 0.00 0.38 -4.44 120.51 126.14 1cx1 n ALA 33 Ca 0.49 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.80 1cx1 n ALA 33 Cb 0.42 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.74 1cx1 n ALA 33 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1cx1 n ASP 34 N 0.00 -1.43 -3.77 0.00 8.00 -1.26 -2.16 116.55 115.93 1cx1 n ASP 34 Ca 0.00 -1.01 -0.26 0.00 0.71 0.00 0.00 54.79 54.23 1cx1 n ASP 34 Cb 0.00 -0.66 -0.07 0.00 -0.02 0.00 0.00 41.12 40.38 1cx1 n ASP 34 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1cx1 n GLY 35 N 5.19 -0.18 3.58 0.44 0.00 -1.26 -4.84 105.19 108.12 1cx1 n GLY 35 Ca 0.39 0.09 -0.14 0.00 0.00 0.00 0.00 46.02 46.37 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 -5.89 0.79 -0.20 1.61 1.70 -0.92 -4.08 118.95 111.96 1cx1 s ARG 36 Ca 0.28 0.41 -0.05 0.00 -0.47 0.00 0.00 55.73 55.90 1cx1 s ARG 36 Cb -0.16 0.38 -0.02 0.00 -0.57 0.00 0.00 34.95 34.57 1cx1 s ARG 36 CO 0.74 -0.20 -0.01 1.41 -1.08 0.00 0.00 175.30 176.16 1cx1 s MET 37 N -0.66 3.60 0.16 3.89 1.75 -0.15 0.14 119.30 128.03 1cx1 s MET 37 Ca -0.04 -0.53 0.09 0.00 -1.25 0.00 0.00 55.69 53.95 1cx1 s MET 37 Cb -0.02 -3.05 -0.04 0.00 2.84 0.00 0.00 34.83 34.56 1cx1 s MET 37 CO 0.03 0.02 -0.19 0.00 -0.65 0.00 0.00 175.02 174.23 1cx1 s VAL 39 N -2.01 1.46 -0.38 0.00 -7.23 -0.83 -2.81 120.40 108.61 1cx1 s VAL 39 Ca 0.16 -2.10 -0.15 0.00 -1.81 0.00 0.00 61.98 58.08 1cx1 s VAL 39 Cb -0.06 -2.37 0.00 0.00 0.56 0.00 0.00 36.38 34.51 1cx1 s VAL 39 CO 0.07 -0.34 0.31 -1.81 -0.31 0.00 0.00 175.10 173.02 1cx1 s ASP 40 N -3.39 6.12 -0.73 4.85 1.01 -1.26 -3.17 116.67 120.10 1cx1 s ASP 40 Ca 0.28 -0.60 -0.00 0.00 0.71 0.00 0.00 52.55 52.94 1cx1 s ASP 40 Cb 0.04 -2.17 0.18 0.00 1.01 0.00 0.00 42.92 41.98 1cx1 s ASP 40 CO 0.10 -0.38 0.55 -0.76 0.21 0.00 0.00 175.17 174.90 1cx1 s LEU 41 N 1.81 5.16 0.00 1.23 2.01 -0.02 -3.63 118.68 125.24 1cx1 s LEU 41 Ca 0.07 -3.40 0.00 0.00 0.01 0.00 0.00 54.13 50.82 1cx1 s LEU 41 Cb -0.18 -1.80 0.00 0.00 0.01 0.00 0.00 46.19 44.22 1cx1 s LEU 41 CO 0.11 -0.23 0.00 -0.81 1.01 0.00 0.00 176.35 176.43 1cx1 n PRO 42 N 2.71 0.00 0.00 1.29 -0.04 -1.26 0.13 135.00 137.83 1cx1 n PRO 42 Ca 0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1cx1 n PRO 42 Cb 0.36 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.82 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 3.29 3.40 3.92 0.55 0.00 -1.24 -1.84 105.19 113.27 1cx1 n GLY 43 Ca 0.00 -0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.25 3.73 -0.02 0.00 -1.26 -4.70 105.19 102.68 1cx1 n GLY 44 Ca 0.00 0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 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 -6.10 4.19 0.26 1.61 -1.52 -1.26 -4.96 119.66 111.88 1cx1 s GLN 45 Ca 0.46 -0.21 0.07 0.00 -1.95 0.00 0.00 55.36 53.72 1cx1 s GLN 45 Cb -0.27 -3.43 0.76 0.00 -0.22 0.00 0.00 33.01 29.86 1cx1 s GLN 45 CO 0.81 0.29 1.24 0.41 -0.25 0.00 0.00 175.29 177.78 1cx1 n GLY 46 N 3.56 -0.90 3.65 3.09 0.00 -1.26 -4.67 105.19 108.65 1cx1 n GLY 46 Ca -0.16 0.73 -0.02 0.00 0.00 0.00 0.00 46.02 46.57 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 -4.87 -0.00 0.46 1.61 4.22 -1.26 -5.01 114.94 110.09 1cx1 s ASN 47 Ca -0.09 0.00 0.32 0.00 -2.14 0.00 0.00 52.86 50.95 1cx1 s ASN 47 Cb 0.24 0.00 1.46 0.00 1.28 0.00 0.00 41.25 44.23 1cx1 s ASN 47 CO 0.61 -0.00 1.63 -0.65 -2.04 0.00 0.00 177.10 176.65 1cx1 h PRO 48 N 2.00 0.08 -2.30 3.55 0.11 -1.83 -1.25 132.00 132.36 1cx1 h PRO 48 Ca -0.03 -0.00 -0.79 0.00 0.11 0.00 0.00 66.00 65.29 1cx1 h PRO 48 Cb 1.14 -0.02 -0.28 0.00 0.11 0.00 0.00 31.00 31.95 1cx1 h PRO 48 CO 0.19 0.05 0.87 -2.67 -0.21 0.00 0.00 178.00 176.24 1cx1 n TRP 49 N -4.58 2.84 -0.83 0.65 2.14 -1.26 -4.22 117.44 112.18 1cx1 n TRP 49 Ca 0.37 -2.69 0.00 0.00 2.07 0.00 0.00 57.50 57.25 1cx1 n TRP 49 Cb 1.47 -1.14 0.00 0.00 -0.81 0.00 0.00 31.31 30.83 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 0.04 0.19 -1.17 -0.67 9.92 -0.47 -5.11 116.55 119.28 1cx1 n ASP 50 Ca 0.44 -1.02 -0.01 0.00 -0.53 0.00 0.00 54.79 53.68 1cx1 n ASP 50 Cb 0.28 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.76 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 -0.01 -0.18 0.00 2.24 0.00 -1.26 -4.64 120.51 116.66 1cx1 n ALA 51 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1cx1 n ALA 51 Cb 0.23 0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.76 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 -0.05 -0.68 3.31 0.00 0.00 -0.71 -4.49 105.19 102.57 1cx1 n GLY 52 Ca -0.01 -2.01 -0.19 0.00 0.00 0.00 0.00 46.02 43.81 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 2.49 0.00 0.99 2.34 -1.13 -2.35 118.68 121.02 1cx1 s LEU 53 Ca 0.00 -0.93 0.05 0.00 0.06 0.00 0.00 54.13 53.30 1cx1 s LEU 53 Cb 0.00 -0.67 -0.02 0.00 -0.56 0.00 0.00 46.19 44.94 1cx1 s LEU 53 CO 0.00 -0.14 0.18 0.55 -1.06 0.00 0.00 176.35 175.88 1cx1 n VAL 54 N -0.00 0.00 0.00 1.48 3.14 -0.24 -0.23 118.33 122.48 1cx1 n VAL 54 Ca -0.11 -1.67 0.00 0.00 -2.96 0.00 0.00 64.34 59.60 1cx1 n VAL 54 Cb 0.59 0.79 0.00 0.00 -1.06 0.00 0.00 33.84 34.16 1cx1 n VAL 54 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1cx1 n TYR 55 N -0.47 0.00 -4.58 1.45 9.36 -0.77 -2.74 117.16 119.40 1cx1 n TYR 55 Ca 0.04 0.00 -0.33 0.00 3.32 0.00 0.00 57.90 60.92 1cx1 n TYR 55 Cb 0.42 0.00 -0.13 0.00 -0.63 0.00 0.00 39.34 38.99 1cx1 n TYR 55 CO 0.00 0.00 0.00 -0.80 0.22 0.00 0.00 176.86 176.28 1cx1 s ASN 56 N 0.00 4.36 0.00 2.98 0.02 -1.26 -1.52 114.94 119.53 1cx1 s ASN 56 Ca 0.00 -0.24 0.00 0.00 -1.02 0.00 0.00 52.86 51.60 1cx1 s ASN 56 Cb 0.00 -1.69 0.00 0.00 0.02 0.00 0.00 41.25 39.58 1cx1 s ASN 56 CO 0.00 0.16 0.00 0.61 0.02 0.00 0.00 177.10 177.89 1cx1 n GLY 57 N 3.58 -0.12 2.70 0.66 0.00 -1.16 -4.65 105.19 106.19 1cx1 n GLY 57 Ca -0.18 0.26 -0.06 0.00 0.00 0.00 0.00 46.02 46.05 1cx1 n GLY 57 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1cx1 n VAL 58 N 0.00 0.00 -0.87 1.61 3.14 -1.26 -4.76 118.33 116.19 1cx1 n VAL 58 Ca 0.00 -0.98 -0.34 0.00 -2.96 0.00 0.00 64.34 60.06 1cx1 n VAL 58 Cb 0.00 1.23 0.10 0.00 -1.06 0.00 0.00 33.84 34.11 1cx1 n VAL 58 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 1cx1 n PRO 59 N 1.63 -0.19 -3.19 1.45 -0.02 -1.26 -4.66 135.00 128.75 1cx1 n PRO 59 Ca 0.05 -0.02 -0.13 0.00 -2.02 0.00 0.00 63.50 61.38 1cx1 n PRO 59 Cb 0.67 -1.67 -0.05 0.00 -0.02 0.00 0.00 33.50 32.44 1cx1 n PRO 59 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1cx1 s VAL 60 N -2.28 -0.48 -0.41 -1.45 1.01 -0.99 -4.96 120.40 110.84 1cx1 s VAL 60 Ca 0.54 -1.16 -0.23 0.00 0.00 0.00 0.00 61.98 61.13 1cx1 s VAL 60 Cb -0.21 -0.50 0.02 0.00 0.00 0.00 0.00 36.38 35.68 1cx1 s VAL 60 CO 0.70 -0.47 0.75 -0.83 0.00 0.00 0.00 175.10 175.25 1cx1 s GLY 61 N 1.08 1.65 0.06 4.51 0.00 -1.26 -2.30 107.32 111.05 1cx1 s GLY 61 Ca 0.23 -0.88 -0.19 0.00 0.00 0.00 0.00 44.72 43.89 1cx1 s GLY 61 CO -0.07 1.71 0.44 1.18 0.00 0.00 0.00 173.10 176.36 1cx1 n GLU 62 N 6.48 0.00 0.00 2.90 1.02 -0.39 -0.30 120.64 130.35 1cx1 n GLU 62 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 1cx1 n GLU 62 Cb 0.48 -0.69 0.00 0.00 -0.02 0.00 0.00 31.44 31.22 1cx1 n GLU 62 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1cx1 n GLY 63 N 0.97 2.45 3.91 0.62 0.00 0.23 -4.90 105.19 108.46 1cx1 n GLY 63 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.77 3.45 -0.11 1.61 2.02 0.59 -4.73 118.70 120.75 1cx1 s GLU 64 Ca 0.00 -0.34 -0.00 0.00 0.02 0.00 0.00 54.97 54.65 1cx1 s GLU 64 Cb 0.00 -3.08 -0.02 0.00 0.10 0.00 0.00 34.13 31.12 1cx1 s GLU 64 CO 0.00 0.66 -0.09 -1.12 0.02 0.00 0.00 175.26 174.73 1cx1 s SER 65 N -2.05 4.38 0.54 -0.19 0.01 -1.26 0.20 113.70 115.32 1cx1 s SER 65 Ca 0.29 -0.18 0.06 0.00 1.31 0.00 0.00 55.95 57.42 1cx1 s SER 65 Cb -0.13 -1.45 0.04 0.00 0.21 0.00 0.00 66.02 64.69 1cx1 s SER 65 CO 0.21 0.24 0.40 -0.31 0.41 0.00 0.00 173.24 174.19 1cx1 s TYR 66 N -0.06 1.68 0.19 2.43 1.51 -1.05 -4.35 117.35 117.70 1cx1 s TYR 66 Ca -0.01 -0.82 -0.13 0.00 -1.01 0.00 0.00 57.07 55.10 1cx1 s TYR 66 Cb -0.14 -1.93 0.01 0.00 -0.11 0.00 0.00 41.96 39.80 1cx1 s TYR 66 CO 0.03 -0.46 0.42 0.08 -1.11 0.00 0.00 175.55 174.51 1cx1 s VAL 67 N -2.76 0.04 -0.21 0.71 1.01 0.92 -2.72 120.40 117.39 1cx1 s VAL 67 Ca 0.35 -1.11 -0.04 0.00 0.00 0.00 0.00 61.98 61.18 1cx1 s VAL 67 Cb -0.02 -1.76 0.10 0.00 0.00 0.00 0.00 36.38 34.70 1cx1 s VAL 67 CO 0.22 -0.18 0.28 -0.22 0.00 0.00 0.00 175.10 175.19 1cx1 s LEU 68 N -2.93 -0.30 -0.60 3.92 2.96 -0.80 -2.95 118.68 117.97 1cx1 s LEU 68 Ca 0.14 0.02 -0.05 0.00 -0.22 0.00 0.00 54.13 54.01 1cx1 s LEU 68 Cb 0.01 0.66 0.16 0.00 0.50 0.00 0.00 46.19 47.51 1cx1 s LEU 68 CO -0.00 -0.31 0.44 -0.94 -1.32 0.00 0.00 176.35 174.22 1cx1 s SER 69 N 2.41 5.54 0.06 3.68 1.04 -1.12 -2.84 113.70 122.46 1cx1 s SER 69 Ca 0.08 -2.58 -0.11 0.00 0.48 0.00 0.00 55.95 53.82 1cx1 s SER 69 Cb -0.15 -1.93 -0.06 0.00 0.10 0.00 0.00 66.02 63.98 1cx1 s SER 69 CO -0.13 -0.47 0.40 0.72 0.98 0.00 0.00 173.24 174.74 1cx1 s PHE 70 N 0.35 3.62 -0.42 5.02 -0.71 -1.14 -3.08 117.98 121.62 1cx1 s PHE 70 Ca 0.14 0.84 -0.14 0.00 -1.04 0.00 0.00 56.93 56.74 1cx1 s PHE 70 Cb -0.20 -2.19 0.04 0.00 -1.21 0.00 0.00 43.02 39.45 1cx1 s PHE 70 CO -0.04 0.55 0.30 0.95 -1.34 0.00 0.00 175.22 175.64 1cx1 s THR 71 N -1.32 5.01 -0.14 -4.49 -4.23 -0.23 -2.88 115.64 107.37 1cx1 s THR 71 Ca 0.31 -0.86 -0.20 0.00 -1.18 0.00 0.00 61.69 59.76 1cx1 s THR 71 Cb -0.15 -3.86 0.05 0.00 1.34 0.00 0.00 72.50 69.88 1cx1 s THR 71 CO 0.17 -0.37 0.51 0.00 -0.54 0.00 0.00 174.62 174.38 1cx1 s ALA 72 N 1.62 -1.27 -0.15 3.99 0.00 -1.18 -2.77 121.76 121.99 1cx1 s ALA 72 Ca 0.04 1.23 -0.01 0.00 0.00 0.00 0.00 51.96 53.22 1cx1 s ALA 72 Cb -0.21 -0.55 -0.01 0.00 0.00 0.00 0.00 23.12 22.36 1cx1 s ALA 72 CO 0.08 -0.27 -0.12 -1.54 0.00 0.00 0.00 175.76 173.91 1cx1 s SER 73 N -0.25 4.02 -0.18 0.00 1.04 -0.82 -2.12 113.70 115.39 1cx1 s SER 73 Ca -0.04 -0.36 -0.13 0.00 0.48 0.00 0.00 55.95 55.90 1cx1 s SER 73 Cb -0.03 -1.63 -0.05 0.00 0.10 0.00 0.00 66.02 64.41 1cx1 s SER 73 CO 0.03 0.12 0.24 0.00 0.98 0.00 0.00 173.24 174.61 1cx1 s ALA 74 N 0.65 3.62 -0.14 5.32 0.00 0.18 -3.04 121.76 128.35 1cx1 s ALA 74 Ca -0.06 -0.56 -0.01 0.00 0.00 0.00 0.00 51.96 51.32 1cx1 s ALA 74 Cb -0.15 -2.34 0.04 0.00 0.00 0.00 0.00 23.12 20.66 1cx1 s ALA 74 CO 0.03 0.06 -0.01 0.95 0.00 0.00 0.00 175.76 176.78 1cx1 s THR 75 N 0.55 0.72 0.00 0.00 -4.23 -1.17 -2.41 115.64 109.09 1cx1 s THR 75 Ca 0.14 -0.34 0.00 0.00 -1.18 0.00 0.00 61.69 60.31 1cx1 s THR 75 Cb -0.13 -0.96 0.00 0.00 1.34 0.00 0.00 72.50 72.76 1cx1 s THR 75 CO 0.02 0.11 0.00 -2.65 -0.54 0.00 0.00 174.62 171.56 1cx1 n PRO 76 N 5.01 3.04 -4.07 3.99 -0.02 -1.26 -1.96 135.00 139.74 1cx1 n PRO 76 Ca -0.10 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.08 1cx1 n PRO 76 Cb 0.49 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.90 1cx1 n PRO 76 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1cx1 s ASP 77 N -1.71 5.42 0.00 2.55 1.01 -1.25 -4.50 116.67 118.19 1cx1 s ASP 77 Ca 0.00 -0.05 0.00 0.00 0.71 0.00 0.00 52.55 53.21 1cx1 s ASP 77 Cb 0.00 -1.42 0.00 0.00 1.01 0.00 0.00 42.92 42.51 1cx1 s ASP 77 CO 0.00 0.17 0.00 1.15 0.21 0.00 0.00 175.17 176.70 1cx1 n MET 78 N 0.43 0.00 -2.32 8.23 0.00 -1.14 -5.01 117.12 117.30 1cx1 n MET 78 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 57.70 57.19 1cx1 n MET 78 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.71 1cx1 n MET 78 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1cx1 s PRO 79 N -2.00 4.27 0.65 3.17 0.04 -1.26 -3.06 135.00 136.81 1cx1 s PRO 79 Ca 0.00 1.82 0.02 0.00 0.04 0.00 0.00 61.00 62.88 1cx1 s PRO 79 Cb 0.00 -3.68 0.10 0.00 0.04 0.00 0.00 34.50 30.95 1cx1 s PRO 79 CO 0.00 -0.62 0.90 0.14 0.04 0.00 0.00 177.00 177.46 1cx1 s VAL 80 N 2.92 2.28 0.03 -0.36 -7.23 0.18 -4.79 120.40 113.42 1cx1 s VAL 80 Ca 0.60 -0.69 0.03 0.00 -1.81 0.00 0.00 61.98 60.11 1cx1 s VAL 80 Cb -0.27 -2.59 -0.04 0.00 0.56 0.00 0.00 36.38 34.05 1cx1 s VAL 80 CO 0.22 0.00 -0.04 -0.60 -0.31 0.00 0.00 175.10 174.36 1cx1 s ARG 81 N -4.95 2.57 0.02 4.82 6.06 -1.13 -2.91 118.95 123.41 1cx1 s ARG 81 Ca 0.63 -0.74 -0.11 0.00 -2.50 0.00 0.00 55.73 53.01 1cx1 s ARG 81 Cb -0.07 -2.53 0.01 0.00 0.06 0.00 0.00 34.95 32.43 1cx1 s ARG 81 CO 0.42 0.59 0.22 0.54 -2.50 0.00 0.00 175.30 174.57 1cx1 s VAL 82 N -1.09 0.09 -0.05 7.11 0.11 -0.85 -2.55 120.40 123.17 1cx1 s VAL 82 Ca 0.19 -0.72 -0.24 0.00 -2.93 0.00 0.00 61.98 58.29 1cx1 s VAL 82 Cb -0.11 -0.72 0.05 0.00 -1.53 0.00 0.00 36.38 34.06 1cx1 s VAL 82 CO 0.10 -0.39 0.52 -1.48 -3.33 0.00 0.00 175.10 170.52 1cx1 s LEU 83 N -1.72 -0.01 0.02 2.54 0.05 -1.10 -2.53 118.68 115.93 1cx1 s LEU 83 Ca -0.10 0.49 -0.07 0.00 0.05 0.00 0.00 54.13 54.50 1cx1 s LEU 83 Cb -0.04 1.98 -0.00 0.00 -2.05 0.00 0.00 46.19 46.08 1cx1 s LEU 83 CO -0.00 -0.51 0.13 -0.69 -0.55 0.00 0.00 176.35 174.72 1cx1 s VAL 84 N -1.14 0.11 -2.94 1.48 1.01 -1.06 -1.90 120.40 115.95 1cx1 s VAL 84 Ca -0.11 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 60.99 1cx1 s VAL 84 Cb -0.02 -0.68 0.00 0.00 0.00 0.00 0.00 36.38 35.67 1cx1 s VAL 84 CO 0.07 -0.48 0.00 0.61 0.00 0.00 0.00 175.10 175.30 1cx1 n GLY 85 N 1.07 -0.62 0.00 4.51 0.00 -0.98 -2.66 105.19 106.50 1cx1 n GLY 85 Ca -0.21 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1cx1 n GLY 85 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1cx1 n GLU 86 N 0.00 1.25 0.00 1.61 -0.00 -1.26 -0.48 120.64 121.75 1cx1 n GLU 86 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 1cx1 n GLU 86 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.44 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 5.00 -0.47 0.00 -1.84 0.00 -1.26 -4.48 105.19 102.15 1cx1 n GLY 87 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.04 -1.28 1.87 -0.02 0.00 -1.26 -4.90 105.19 99.64 1cx1 n GLY 88 Ca 0.00 -0.90 -0.06 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.03 0.59 0.00 -0.02 0.00 -1.26 -4.08 105.19 100.39 1cx1 n GLY 89 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.10 0.00 -0.31 4.61 0.00 -1.26 -5.00 120.51 118.66 1cx1 n ALA 90 Ca -0.06 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.53 1cx1 n ALA 90 Cb 0.26 0.00 0.34 0.00 0.00 0.00 0.00 19.45 20.05 1cx1 n ALA 90 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1cx1 h TYR 91 N 0.00 0.53 -0.14 0.00 0.05 -1.91 -3.41 116.97 112.09 1cx1 h TYR 91 Ca 0.00 0.05 -0.63 0.00 0.05 0.00 0.00 58.73 58.19 1cx1 h TYR 91 Cb 0.00 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 37.63 1cx1 h TYR 91 CO 0.00 -0.18 0.97 2.89 -1.05 0.00 0.00 178.16 180.79 1cx1 n ARG 92 N -5.16 0.00 -3.52 4.88 1.85 -1.26 -4.64 116.66 108.81 1cx1 n ARG 92 Ca 0.24 0.00 -0.19 0.00 -1.00 0.00 0.00 57.85 56.90 1cx1 n ARG 92 Cb 0.75 -1.20 -0.01 0.00 -1.05 0.00 0.00 32.46 30.95 1cx1 n ARG 92 CO 0.00 0.00 0.00 -0.08 -0.01 0.00 0.00 177.63 177.54 1cx1 s THR 93 N 4.37 4.15 -0.05 8.89 -1.32 -1.26 -4.75 115.64 125.67 1cx1 s THR 93 Ca 0.94 -1.01 0.04 0.00 -1.21 0.00 0.00 61.69 60.45 1cx1 s THR 93 Cb -1.20 -3.44 -0.06 0.00 -1.51 0.00 0.00 72.50 66.29 1cx1 s THR 93 CO 0.55 -0.17 0.11 0.00 -2.21 0.00 0.00 174.62 172.90 1cx1 n ALA 94 N -1.61 2.24 -0.59 11.08 0.00 -1.25 -4.58 120.51 125.80 1cx1 n ALA 94 Ca -0.01 -0.10 -0.16 0.00 0.00 0.00 0.00 53.44 53.17 1cx1 n ALA 94 Cb 0.58 -0.14 0.07 0.00 0.00 0.00 0.00 19.45 19.95 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 -1.52 1.68 -2.46 0.00 -0.00 -1.09 -4.84 117.46 109.24 1cx1 n PHE 95 Ca -0.00 -1.68 -0.38 0.00 -0.00 0.00 0.00 57.45 55.38 1cx1 n PHE 95 Cb 0.10 -0.83 -0.03 0.00 -0.00 0.00 0.00 39.48 38.72 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 -1.91 3.42 0.10 -4.13 2.12 -1.26 -2.57 118.70 114.48 1cx1 s GLU 96 Ca 0.33 -1.08 0.10 0.00 0.36 0.00 0.00 54.97 54.67 1cx1 s GLU 96 Cb 0.26 -5.33 -0.04 0.00 0.26 0.00 0.00 34.13 29.29 1cx1 s GLU 96 CO 0.02 -2.48 -0.24 1.14 -0.54 0.00 0.00 175.26 173.16 1cx1 s GLN 97 N 5.30 1.36 -0.04 4.30 -2.07 -1.05 -5.03 119.66 122.43 1cx1 s GLN 97 Ca 0.52 -1.22 0.24 0.00 -1.82 0.00 0.00 55.36 53.07 1cx1 s GLN 97 Cb -0.01 -1.72 0.43 0.00 -1.09 0.00 0.00 33.01 30.62 1cx1 s GLN 97 CO -0.05 0.41 1.18 0.41 -1.32 0.00 0.00 175.29 175.92 1cx1 n GLY 98 N 1.16 1.68 2.66 2.60 0.00 -1.26 -2.01 105.19 110.02 1cx1 n GLY 98 Ca -0.18 -0.93 -0.31 0.00 0.00 0.00 0.00 46.02 44.60 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 0.23 4.68 -4.13 1.61 7.64 -1.26 -4.66 113.62 117.73 1cx1 n SER 99 Ca 0.08 -3.52 -0.38 0.00 1.01 0.00 0.00 58.87 56.06 1cx1 n SER 99 Cb 1.07 -0.78 -0.09 0.00 -1.01 0.00 0.00 64.21 63.40 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 -2.94 3.52 -0.25 -0.43 0.00 -1.15 -4.94 121.76 115.57 1cx1 s ALA 100 Ca 0.41 -3.04 -0.29 0.00 0.00 0.00 0.00 51.96 49.04 1cx1 s ALA 100 Cb 0.17 -2.70 0.01 0.00 0.00 0.00 0.00 23.12 20.59 1cx1 s ALA 100 CO -0.03 -2.04 1.12 -1.25 0.00 0.00 0.00 175.76 173.57 1cx1 s PRO 101 N 0.36 4.16 0.21 0.00 0.04 -1.26 0.50 135.00 139.01 1cx1 s PRO 101 Ca 0.14 1.32 0.11 0.00 0.04 0.00 0.00 61.00 62.62 1cx1 s PRO 101 Cb -0.21 -3.72 -0.05 0.00 0.04 0.00 0.00 34.50 30.57 1cx1 s PRO 101 CO -0.04 -0.78 -0.22 -0.51 0.04 0.00 0.00 177.00 175.49 1cx1 s LEU 102 N 3.52 2.48 0.00 -3.56 1.43 -1.17 -4.98 118.68 116.40 1cx1 s LEU 102 Ca 0.48 -0.91 0.00 0.00 -1.03 0.00 0.00 54.13 52.67 1cx1 s LEU 102 Cb -0.16 -1.11 0.00 0.00 0.03 0.00 0.00 46.19 44.95 1cx1 s LEU 102 CO 0.12 0.08 0.00 1.07 0.23 0.00 0.00 176.35 177.85 1cx1 n THR 103 N 0.02 0.00 0.14 5.49 5.66 -1.26 -2.90 114.28 121.43 1cx1 n THR 103 Ca -0.11 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 60.91 1cx1 n THR 103 Cb 0.57 -0.48 0.05 0.00 -1.55 0.00 0.00 70.33 68.92 1cx1 n THR 103 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 1cx1 h GLY 104 N 0.00 0.00 -2.87 1.09 0.00 -1.70 0.52 103.07 100.10 1cx1 h GLY 104 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.89 1cx1 h GLY 104 CO 0.00 0.00 -0.36 -0.54 0.00 0.00 0.00 176.54 175.64 1cx1 s GLU 105 N -3.01 3.19 -0.42 4.80 8.01 -1.26 -4.57 118.70 125.44 1cx1 s GLU 105 Ca 0.03 -0.94 -0.44 0.00 0.01 0.00 0.00 54.97 53.63 1cx1 s GLU 105 Cb 0.08 -2.83 -0.18 0.00 -4.31 0.00 0.00 34.13 26.89 1cx1 s GLU 105 CO 0.75 0.14 1.72 -2.30 0.01 0.00 0.00 175.26 175.58 1cx1 n PRO 106 N -1.60 0.45 -3.76 0.39 -0.02 -1.26 -4.54 135.00 124.66 1cx1 n PRO 106 Ca -0.02 0.16 -0.24 0.00 -2.02 0.00 0.00 63.50 61.38 1cx1 n PRO 106 Cb 0.58 -1.75 -0.17 0.00 -0.02 0.00 0.00 33.50 32.13 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 3.64 0.77 0.19 3.55 0.00 -0.90 -4.94 121.76 124.08 1cx1 s ALA 107 Ca 1.04 -0.25 -0.10 0.00 0.00 0.00 0.00 51.96 52.66 1cx1 s ALA 107 Cb -1.32 -0.84 -0.07 0.00 0.00 0.00 0.00 23.12 20.89 1cx1 s ALA 107 CO 0.74 -0.60 0.51 0.95 0.00 0.00 0.00 175.76 177.36 1cx1 s THR 108 N 1.95 4.97 -0.01 0.00 -4.23 -1.26 -3.13 115.64 113.92 1cx1 s THR 108 Ca 0.04 0.45 0.05 0.00 -1.18 0.00 0.00 61.69 61.05 1cx1 s THR 108 Cb -0.13 -3.63 -0.01 0.00 1.34 0.00 0.00 72.50 70.06 1cx1 s THR 108 CO -0.06 0.01 -0.16 -0.13 -0.54 0.00 0.00 174.62 173.75 1cx1 s ARG 109 N -2.62 1.30 -0.29 3.99 1.81 -1.14 -4.96 118.95 117.04 1cx1 s ARG 109 Ca 0.44 -0.56 0.03 0.00 -1.72 0.00 0.00 55.73 53.92 1cx1 s ARG 109 Cb -0.12 -1.25 0.08 0.00 -0.45 0.00 0.00 34.95 33.21 1cx1 s ARG 109 CO 0.21 0.33 -0.01 -1.21 -0.68 0.00 0.00 175.30 173.94 1cx1 s GLU 110 N -0.34 1.68 -0.15 3.54 2.02 -1.25 -2.88 118.70 121.32 1cx1 s GLU 110 Ca 0.05 -1.49 -0.03 0.00 0.02 0.00 0.00 54.97 53.52 1cx1 s GLU 110 Cb -0.06 -2.90 -0.03 0.00 0.10 0.00 0.00 34.13 31.24 1cx1 s GLU 110 CO -0.00 -0.77 -0.05 0.71 0.02 0.00 0.00 175.26 175.17 1cx1 s TYR 111 N 1.11 3.00 0.14 1.61 2.02 -1.13 -4.86 117.35 119.24 1cx1 s TYR 111 Ca 0.02 -0.35 0.06 0.00 -0.37 0.00 0.00 57.07 56.42 1cx1 s TYR 111 Cb -0.19 -1.95 -0.04 0.00 -0.40 0.00 0.00 41.96 39.38 1cx1 s TYR 111 CO -0.08 -0.07 -0.13 0.00 -1.57 0.00 0.00 175.55 173.70 1cx1 s ALA 112 N 0.40 1.58 0.31 3.71 0.00 -1.26 -1.91 121.76 124.59 1cx1 s ALA 112 Ca -0.05 -1.41 0.01 0.00 0.00 0.00 0.00 51.96 50.51 1cx1 s ALA 112 Cb -0.14 -0.05 -0.00 0.00 0.00 0.00 0.00 23.12 22.93 1cx1 s ALA 112 CO 0.03 0.04 0.38 1.97 0.00 0.00 0.00 175.76 178.19 1cx1 n PHE 113 N 0.18 -1.16 -4.46 0.00 -1.74 -1.10 -4.96 117.46 104.21 1cx1 n PHE 113 Ca -0.13 -2.18 -0.34 0.00 -0.56 0.00 0.00 57.45 54.24 1cx1 n PHE 113 Cb 0.59 0.43 -0.11 0.00 1.52 0.00 0.00 39.48 41.90 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 -2.88 4.01 -0.06 1.97 -4.23 -1.26 -2.52 115.64 110.67 1cx1 s THR 114 Ca 0.28 -0.35 -0.30 0.00 -1.18 0.00 0.00 61.69 60.15 1cx1 s THR 114 Cb -0.00 -2.69 -0.06 0.00 1.34 0.00 0.00 72.50 71.08 1cx1 s THR 114 CO 0.20 0.57 1.82 -0.55 -0.54 0.00 0.00 174.62 176.12 1cx1 s SER 115 N -0.49 6.43 -0.01 3.99 0.15 0.55 -4.82 113.70 119.49 1cx1 s SER 115 Ca 0.08 2.29 0.11 0.00 0.70 0.00 0.00 55.95 59.13 1cx1 s SER 115 Cb -0.12 -2.53 -0.17 0.00 -1.71 0.00 0.00 66.02 61.49 1cx1 s SER 115 CO 0.02 -1.12 0.27 0.59 1.20 0.00 0.00 173.24 174.20 1cx1 n ASN 116 N 7.89 2.24 -0.36 5.45 4.13 -1.26 -0.60 115.26 132.76 1cx1 n ASN 116 Ca 0.20 -0.09 0.00 0.00 1.68 0.00 0.00 54.58 56.37 1cx1 n ASN 116 Cb 0.43 1.45 0.00 0.00 -1.54 0.00 0.00 39.78 40.11 1cx1 n ASN 116 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 1cx1 n LEU 117 N -1.81 0.00 -4.28 3.41 0.00 -1.26 -4.82 117.00 108.23 1cx1 n LEU 117 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 56.01 55.68 1cx1 n LEU 117 Cb 0.27 0.00 -0.16 0.00 0.00 0.00 0.00 43.42 43.53 1cx1 n LEU 117 CO 0.23 0.00 -0.54 0.42 0.00 0.00 0.00 177.39 177.50 1cx1 s THR 118 N -0.61 2.24 -0.46 1.96 -4.23 -1.25 -1.27 115.64 112.02 1cx1 s THR 118 Ca 0.00 -0.99 0.07 0.00 -1.18 0.00 0.00 61.69 59.59 1cx1 s THR 118 Cb 0.00 -1.84 0.24 0.00 1.34 0.00 0.00 72.50 72.24 1cx1 s THR 118 CO 0.00 0.56 0.76 0.49 -0.54 0.00 0.00 174.62 175.90 1cx1 n PHE 119 N 3.10 -2.44 -0.55 3.99 3.72 -0.97 -4.95 117.46 119.35 1cx1 n PHE 119 Ca -0.18 -2.30 -0.30 0.00 -0.05 0.00 0.00 57.45 54.62 1cx1 n PHE 119 Cb 0.52 0.97 0.23 0.00 -0.94 0.00 0.00 39.48 40.26 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 1.65 -2.18 0.06 -1.08 -0.02 -1.26 -2.36 135.00 129.81 1cx1 n PRO 120 Ca 0.13 -0.61 -0.10 0.00 -2.02 0.00 0.00 63.50 60.90 1cx1 n PRO 120 Cb 0.59 -1.97 -0.13 0.00 -0.02 0.00 0.00 33.50 31.97 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 -2.47 0.07 0.00 0.52 0.13 -1.89 -3.38 132.00 124.99 1cx1 h PRO 121 Ca -0.59 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 64.41 1cx1 h PRO 121 Cb 1.35 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.52 1cx1 h PRO 121 CO 0.45 1.01 -0.23 -3.47 -0.23 0.00 0.00 178.00 175.53 1cx1 n ASP 122 N -3.37 0.96 -3.12 1.44 2.03 -1.26 -3.99 116.55 109.24 1cx1 n ASP 122 Ca -0.04 -0.42 0.00 0.00 0.52 0.00 0.00 54.79 54.85 1cx1 n ASP 122 Cb 0.97 1.01 0.00 0.00 -0.72 0.00 0.00 41.12 42.38 1cx1 n ASP 122 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1cx1 n GLY 123 N 1.30 -2.62 0.00 0.27 0.00 -1.26 -4.74 105.19 98.13 1cx1 n GLY 123 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 0.00 0.00 -4.51 1.61 9.92 -1.26 -4.54 116.55 117.77 1cx1 n ASP 124 Ca 0.00 0.42 -0.29 0.00 -0.53 0.00 0.00 54.79 54.38 1cx1 n ASP 124 Cb 0.00 -0.01 -0.11 0.00 -0.64 0.00 0.00 41.12 40.36 1cx1 n ASP 124 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1cx1 s ALA 125 N -2.48 2.74 1.00 2.24 0.00 -1.26 -4.99 121.76 119.01 1cx1 s ALA 125 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 50.62 1cx1 s ALA 125 Cb 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 23.12 22.42 1cx1 s ALA 125 CO 0.00 0.60 0.00 -0.35 0.00 0.00 0.00 175.76 176.01 1cx1 n PRO 126 N 0.76 1.29 -2.06 0.00 -0.04 -1.26 -4.45 135.00 129.24 1cx1 n PRO 126 Ca -0.15 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.03 1cx1 n PRO 126 Cb 0.53 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.04 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 -0.82 1.62 -0.07 0.55 0.00 -1.26 -4.14 107.32 103.20 1cx1 s GLY 127 Ca 0.00 -0.58 -0.10 0.00 0.00 0.00 0.00 44.72 44.04 1cx1 s GLY 127 CO 0.00 -0.20 0.25 1.62 0.00 0.00 0.00 173.10 174.77 1cx1 s GLN 128 N -5.30 0.38 -0.30 2.90 0.74 0.36 -3.00 119.66 115.44 1cx1 s GLN 128 Ca 0.58 0.19 -0.05 0.00 0.05 0.00 0.00 55.36 56.14 1cx1 s GLN 128 Cb -0.11 0.18 0.18 0.00 1.10 0.00 0.00 33.01 34.36 1cx1 s GLN 128 CO 0.48 -0.07 0.71 0.54 -0.55 0.00 0.00 175.29 176.41 1cx1 s VAL 129 N -0.25 -0.84 -0.09 1.34 0.11 -0.57 -2.32 120.40 117.78 1cx1 s VAL 129 Ca -0.04 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.05 1cx1 s VAL 129 Cb -0.03 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.81 1cx1 s VAL 129 CO 0.01 0.00 -0.22 0.00 -3.33 0.00 0.00 175.10 171.56 1cx1 s ALA 130 N 2.87 2.26 -0.38 1.54 0.00 -0.80 -1.85 121.76 125.41 1cx1 s ALA 130 Ca 0.14 -0.98 -0.13 0.00 0.00 0.00 0.00 51.96 50.98 1cx1 s ALA 130 Cb -0.14 -0.83 0.01 0.00 0.00 0.00 0.00 23.12 22.16 1cx1 s ALA 130 CO -0.19 0.34 0.26 -0.06 0.00 0.00 0.00 175.76 176.11 1cx1 s PHE 131 N 0.12 3.23 -0.18 0.00 0.40 0.68 -2.72 117.98 119.50 1cx1 s PHE 131 Ca -0.11 -0.55 -0.10 0.00 -0.60 0.00 0.00 56.93 55.57 1cx1 s PHE 131 Cb -0.16 -2.52 -0.05 0.00 0.51 0.00 0.00 43.02 40.80 1cx1 s PHE 131 CO 0.06 -0.53 0.16 -1.01 0.70 0.00 0.00 175.22 174.60 1cx1 s HIS 132 N 1.67 3.44 0.00 0.36 3.76 -1.05 -2.84 115.29 120.62 1cx1 s HIS 132 Ca 0.05 0.40 0.00 0.00 -0.15 0.00 0.00 55.06 55.35 1cx1 s HIS 132 Cb -0.18 -2.17 0.00 0.00 1.11 0.00 0.00 32.58 31.34 1cx1 s HIS 132 CO 0.09 0.33 0.00 1.28 -0.85 0.00 0.00 174.74 175.59 1cx1 n LEU 133 N 3.36 0.66 -4.29 0.89 4.77 -1.26 -2.86 117.00 118.28 1cx1 n LEU 133 Ca -0.16 0.00 -0.58 0.00 -0.03 0.00 0.00 56.01 55.25 1cx1 n LEU 133 Cb 0.52 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.53 1cx1 n LEU 133 CO 0.37 -0.00 0.68 0.61 -1.33 0.00 0.00 177.39 177.71 1cx1 n GLY 134 N 2.12 -0.15 3.64 -0.72 0.00 -1.26 -4.56 105.19 104.26 1cx1 n GLY 134 Ca 0.00 0.77 -0.08 0.00 0.00 0.00 0.00 46.02 46.72 1cx1 n GLY 134 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cx1 s LYS 135 N 0.73 0.59 0.66 1.61 1.02 -1.26 -4.06 119.74 119.03 1cx1 s LYS 135 Ca 0.89 0.86 0.01 0.00 0.02 0.00 0.00 55.97 57.74 1cx1 s LYS 135 Cb -1.25 0.21 0.03 0.00 -0.52 0.00 0.00 37.83 36.30 1cx1 s LYS 135 CO 0.60 -0.10 1.02 0.00 -0.92 0.00 0.00 175.35 175.95 1cx1 h ALA 136 N 5.57 1.98 0.00 5.17 0.00 -1.84 4.79 119.26 134.93 1cx1 h ALA 136 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1cx1 h ALA 136 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1cx1 h ALA 136 CO 0.13 -0.98 -0.05 0.41 0.00 0.00 0.00 179.25 178.76 1cx1 n GLY 137 N -1.49 2.83 0.00 0.00 0.00 -1.25 -4.48 105.19 100.79 1cx1 n GLY 137 Ca -0.00 -0.43 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 -0.75 0.00 -2.00 4.61 0.00 1.57 -5.02 120.51 118.92 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 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 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 -1.53 0.00 -5.05 0.00 4.11 0.36 -4.76 117.16 110.29 1cx1 n TYR 139 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.90 57.58 1cx1 n TYR 139 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 39.34 39.19 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 4.03 2.70 -0.28 -3.48 2.02 -0.83 -0.84 118.70 122.01 1cx1 s GLU 140 Ca 0.00 -0.80 0.02 0.00 0.02 0.00 0.00 54.97 54.21 1cx1 s GLU 140 Cb 0.00 -2.32 0.06 0.00 0.10 0.00 0.00 34.13 31.97 1cx1 s GLU 140 CO 0.00 0.43 -0.05 0.12 0.02 0.00 0.00 175.26 175.77 1cx1 s PHE 141 N -0.25 3.34 -0.41 1.61 5.36 -1.19 -3.01 117.98 123.43 1cx1 s PHE 141 Ca 0.00 -2.31 -0.04 0.00 -0.96 0.00 0.00 56.93 53.62 1cx1 s PHE 141 Cb -0.13 -2.14 0.11 0.00 -0.34 0.00 0.00 43.02 40.52 1cx1 s PHE 141 CO 0.03 -0.87 0.22 0.00 -1.46 0.00 0.00 175.22 173.13 1cx1 s ILE 143 N 1.19 3.30 0.00 0.00 2.07 -0.56 -1.94 121.20 125.27 1cx1 s ILE 143 Ca 0.07 -0.88 0.00 0.00 -1.41 0.00 0.00 60.65 58.42 1cx1 s ILE 143 Cb -0.23 -2.40 0.00 0.00 0.13 0.00 0.00 42.46 39.96 1cx1 s ILE 143 CO -0.03 0.41 0.09 -1.54 -1.91 0.00 0.00 174.94 171.96 1cx1 n SER 144 N 1.68 0.17 -3.63 4.50 3.41 -1.12 -0.98 113.62 117.66 1cx1 n SER 144 Ca -0.16 -0.54 -0.10 0.00 -0.26 0.00 0.00 58.87 57.81 1cx1 n SER 144 Cb 0.52 0.24 -0.04 0.00 -0.26 0.00 0.00 64.21 64.67 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 -0.24 1.08 -0.30 4.33 -0.21 -1.25 0.22 119.66 123.28 1cx1 s GLN 145 Ca 0.00 -0.70 -0.18 0.00 0.02 0.00 0.00 55.36 54.50 1cx1 s GLN 145 Cb 0.00 0.47 0.20 0.00 1.00 0.00 0.00 33.01 34.68 1cx1 s GLN 145 CO 0.00 -0.42 1.26 0.54 -2.12 0.00 0.00 175.29 174.54 1cx1 s VAL 146 N -3.80 -0.05 -0.04 1.09 0.11 -1.22 -1.06 120.40 115.43 1cx1 s VAL 146 Ca 0.03 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.06 1cx1 s VAL 146 Cb 0.02 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.89 1cx1 s VAL 146 CO -0.12 0.00 0.08 -0.55 -3.33 0.00 0.00 175.10 171.18 1cx1 s SER 147 N 1.64 -0.05 -0.00 3.54 0.15 -1.18 -3.96 113.70 113.83 1cx1 s SER 147 Ca -0.03 0.16 0.02 0.00 0.70 0.00 0.00 55.95 56.79 1cx1 s SER 147 Cb -0.02 0.11 -0.04 0.00 -1.71 0.00 0.00 66.02 64.37 1cx1 s SER 147 CO -0.14 -0.08 -0.01 -0.22 1.20 0.00 0.00 173.24 174.00 1cx1 s LEU 148 N 0.54 3.45 0.00 3.45 0.20 -1.26 -2.81 118.68 122.25 1cx1 s LEU 148 Ca -0.04 -0.03 -0.06 0.00 0.69 0.00 0.00 54.13 54.69 1cx1 s LEU 148 Cb -0.06 -1.97 0.02 0.00 -0.43 0.00 0.00 46.19 43.75 1cx1 s LEU 148 CO -0.02 0.28 0.31 1.07 -0.29 0.00 0.00 176.35 177.70 1cx1 n THR 149 N 1.44 0.00 0.00 3.68 5.66 -1.15 -2.49 114.28 121.42 1cx1 n THR 149 Ca -0.15 -0.25 0.00 0.00 -3.05 0.00 0.00 64.05 60.61 1cx1 n THR 149 Cb 0.53 0.29 0.00 0.00 -1.55 0.00 0.00 70.33 69.59 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 -0.21 0.00 -1.13 1.09 5.66 -1.25 -0.05 114.28 118.38 1cx1 n THR 150 Ca -0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.98 1cx1 n THR 150 Cb 0.19 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.97 1cx1 n THR 150 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1cx1 n SER 151 N 0.00 -1.51 0.00 1.09 2.88 -1.26 -4.66 113.62 110.15 1cx1 n SER 151 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1cx1 n SER 151 Cb 0.00 -0.76 0.00 0.00 -0.75 0.00 0.00 64.21 62.70 1cx1 n SER 151 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1cx1 n ALA 152 N 0.07 0.00 -1.04 -1.46 0.00 -1.26 -4.69 120.51 112.12 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 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1cx1 n ALA 152 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91