#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uud s VAL 2 N 0.00 4.24 -0.03 3.84 1.01 -1.24 -2.76 120.40 125.46 2uud s VAL 2 Ca 0.00 1.57 0.02 0.00 0.00 0.00 0.00 61.98 63.56 2uud s VAL 2 Cb 0.00 -4.01 0.01 0.00 0.00 0.00 0.00 36.38 32.38 2uud s VAL 2 CO 0.00 0.01 -0.06 -0.75 0.00 0.00 0.00 175.10 174.30 2uud s LYS 3 N 2.14 0.73 -0.10 2.72 2.47 0.16 -4.96 119.74 122.89 2uud s LYS 3 Ca 0.56 -0.17 -0.02 0.00 -1.56 0.00 0.00 55.97 54.78 2uud s LYS 3 Cb -0.25 -0.72 0.03 0.00 -1.46 0.00 0.00 37.83 35.43 2uud s LYS 3 CO 0.22 0.02 0.00 -0.51 0.16 0.00 0.00 175.35 175.25 2uud s LEU 4 N 0.44 0.77 -0.06 5.43 1.02 -1.26 -1.59 118.68 123.44 2uud s LEU 4 Ca -0.06 -0.26 0.04 0.00 0.02 0.00 0.00 54.13 53.87 2uud s LEU 4 Cb -0.10 -0.51 0.00 0.00 0.02 0.00 0.00 46.19 45.60 2uud s LEU 4 CO 0.00 -0.21 -0.18 -0.69 0.02 0.00 0.00 176.35 175.29 2uud s VAL 5 N 1.92 1.54 0.40 -1.59 1.01 -0.80 -3.85 120.40 119.03 2uud s VAL 5 Ca 0.04 -0.75 0.08 0.00 0.00 0.00 0.00 61.98 61.35 2uud s VAL 5 Cb -0.13 -1.34 -0.00 0.00 0.00 0.00 0.00 36.38 34.91 2uud s VAL 5 CO -0.06 0.44 0.50 -1.61 0.00 0.00 0.00 175.10 174.37 2uud s GLU 6 N 0.24 2.83 0.00 2.72 8.01 -1.26 0.05 118.70 131.29 2uud s GLU 6 Ca -0.10 -1.25 0.00 0.00 0.01 0.00 0.00 54.97 53.63 2uud s GLU 6 Cb -0.14 -2.68 0.00 0.00 -4.31 0.00 0.00 34.13 27.00 2uud s GLU 6 CO 0.04 -0.16 0.00 -1.13 0.01 0.00 0.00 175.26 174.02 2uud n SER 7 N -1.72 0.00 0.00 -0.19 3.41 -0.72 -4.88 113.62 109.52 2uud n SER 7 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 2uud n SER 7 Cb 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 2uud n SER 7 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2uud n GLY 8 N -0.22 1.53 3.90 5.00 0.00 -1.26 -1.24 105.19 112.90 2uud n GLY 8 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 2uud n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2uud s GLY 9 N -1.62 1.61 0.00 -0.02 0.00 -1.26 -4.58 107.32 101.45 2uud s GLY 9 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 44.72 44.21 2uud s GLY 9 CO 0.00 -0.20 0.00 0.61 0.00 0.00 0.00 173.10 173.51 2uud n GLY 10 N -2.73 -0.98 3.36 0.20 0.00 -1.00 -4.90 105.19 99.13 2uud n GLY 10 Ca 0.05 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 2uud n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2uud s LEU 11 N 0.00 3.97 0.32 0.99 2.96 -1.26 -1.51 118.68 124.15 2uud s LEU 11 Ca 0.00 -0.72 0.09 0.00 -0.22 0.00 0.00 54.13 53.28 2uud s LEU 11 Cb 0.00 -1.91 -0.06 0.00 0.50 0.00 0.00 46.19 44.72 2uud s LEU 11 CO 0.00 -0.21 -0.11 0.54 -1.32 0.00 0.00 176.35 175.25 2uud s VAL 12 N 1.52 2.18 0.15 1.68 0.11 -0.61 -4.99 120.40 120.44 2uud s VAL 12 Ca 0.03 -2.22 -0.10 0.00 -2.93 0.00 0.00 61.98 56.75 2uud s VAL 12 Cb -0.17 -2.56 -0.06 0.00 -1.53 0.00 0.00 36.38 32.06 2uud s VAL 12 CO 0.03 -0.25 0.47 -1.10 -3.33 0.00 0.00 175.10 170.92 2uud s GLN 13 N -3.61 3.79 0.47 1.54 -1.52 -1.26 -3.90 119.66 115.17 2uud s GLN 13 Ca 0.31 0.22 -0.20 0.00 -1.95 0.00 0.00 55.36 53.75 2uud s GLN 13 Cb 0.01 -2.85 -0.13 0.00 -0.22 0.00 0.00 33.01 29.82 2uud s GLN 13 CO 0.15 0.46 0.25 -0.35 -0.25 0.00 0.00 175.29 175.55 2uud n PRO 14 N 0.43 0.26 -1.26 2.91 -0.04 -1.26 -4.39 135.00 131.65 2uud n PRO 14 Ca -0.04 0.10 0.16 0.00 -0.04 0.00 0.00 63.50 63.68 2uud n PRO 14 Cb 0.52 -1.29 -0.06 0.00 -0.04 0.00 0.00 33.50 32.63 2uud n PRO 14 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2uud n GLY 15 N 2.12 -2.48 0.00 0.55 0.00 0.57 -4.88 105.19 101.06 2uud n GLY 15 Ca 0.10 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.97 2uud n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2uud n GLY 16 N -4.06 -0.87 4.00 -0.02 0.00 -1.26 -4.02 105.19 98.96 2uud n GLY 16 Ca -0.03 -1.52 -0.23 0.00 0.00 0.00 0.00 46.02 44.24 2uud n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2uud s SER 17 N -2.08 4.29 -0.13 1.61 1.04 -1.26 -1.24 113.70 115.94 2uud s SER 17 Ca 0.00 -0.50 -0.30 0.00 0.48 0.00 0.00 55.95 55.62 2uud s SER 17 Cb 0.00 0.19 0.13 0.00 0.10 0.00 0.00 66.02 66.43 2uud s SER 17 CO 0.00 -1.91 1.03 -0.22 0.98 0.00 0.00 173.24 173.12 2uud s LEU 18 N -5.13 -0.31 -0.25 2.42 2.96 -0.16 -4.96 118.68 113.25 2uud s LEU 18 Ca 0.67 0.21 -0.01 0.00 -0.22 0.00 0.00 54.13 54.78 2uud s LEU 18 Cb -0.04 1.77 0.08 0.00 0.50 0.00 0.00 46.19 48.49 2uud s LEU 18 CO 0.44 -0.37 0.05 -0.60 -1.32 0.00 0.00 176.35 174.55 2uud s ARG 19 N -1.82 0.82 0.41 1.98 3.52 -1.26 -0.42 118.95 122.19 2uud s ARG 19 Ca 0.03 -0.79 -0.17 0.00 -0.13 0.00 0.00 55.73 54.66 2uud s ARG 19 Cb -0.01 -2.13 -0.09 0.00 -1.56 0.00 0.00 34.95 31.16 2uud s ARG 19 CO -0.03 -0.78 0.88 -0.51 -0.81 0.00 0.00 175.30 174.04 2uud s LEU 20 N 1.69 3.91 0.04 -0.88 1.02 -0.15 -4.68 118.68 119.64 2uud s LEU 20 Ca 0.03 1.50 -0.01 0.00 0.02 0.00 0.00 54.13 55.67 2uud s LEU 20 Cb -0.17 -4.35 -0.03 0.00 0.02 0.00 0.00 46.19 41.65 2uud s LEU 20 CO -0.15 -0.35 -0.03 -0.94 0.02 0.00 0.00 176.35 174.90 2uud s SER 21 N -2.44 0.39 -0.07 2.29 1.04 -0.37 -0.93 113.70 113.61 2uud s SER 21 Ca 0.58 -0.81 -0.03 0.00 0.48 0.00 0.00 55.95 56.18 2uud s SER 21 Cb -0.10 0.16 0.04 0.00 0.10 0.00 0.00 66.02 66.22 2uud s SER 21 CO 0.19 -0.49 0.07 0.00 0.98 0.00 0.00 173.24 173.99 2uud s ALA 23 N 2.17 3.50 0.01 0.00 0.00 0.11 -0.86 121.76 126.69 2uud s ALA 23 Ca 0.04 -0.04 0.03 0.00 0.00 0.00 0.00 51.96 51.99 2uud s ALA 23 Cb -0.13 -2.62 -0.03 0.00 0.00 0.00 0.00 23.12 20.33 2uud s ALA 23 CO -0.04 0.41 -0.04 0.99 0.00 0.00 0.00 175.76 177.08 2uud s THR 24 N -1.57 3.84 -0.19 0.00 2.01 -0.70 -1.90 115.64 117.13 2uud s THR 24 Ca 0.42 -0.72 -0.13 0.00 0.31 0.00 0.00 61.69 61.57 2uud s THR 24 Cb -0.15 -2.69 0.06 0.00 0.01 0.00 0.00 72.50 69.73 2uud s THR 24 CO 0.20 0.38 0.48 -0.55 -0.69 0.00 0.00 174.62 174.43 2uud s SER 25 N -1.50 -0.59 0.00 3.53 0.15 -0.62 -4.95 113.70 109.72 2uud s SER 25 Ca 0.18 1.02 0.00 0.00 0.70 0.00 0.00 55.95 57.86 2uud s SER 25 Cb -0.11 0.94 0.00 0.00 -1.71 0.00 0.00 66.02 65.14 2uud s SER 25 CO 0.09 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.94 2uud n GLY 26 N 3.85 0.76 3.48 9.45 0.00 -1.11 0.37 105.19 121.98 2uud n GLY 26 Ca -0.20 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.66 2uud n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2uud s PHE 27 N -2.30 -0.59 -0.78 1.61 -0.12 -1.26 -4.48 117.98 110.07 2uud s PHE 27 Ca 0.00 1.11 -0.24 0.00 -0.05 0.00 0.00 56.93 57.74 2uud s PHE 27 Cb 0.00 0.32 -0.19 0.00 -0.63 0.00 0.00 43.02 42.52 2uud s PHE 27 CO 0.00 -0.52 1.88 0.45 -0.05 0.00 0.00 175.22 176.99 2uud n SER 28 N 1.34 2.27 -0.14 1.98 2.88 -1.26 -4.74 113.62 115.94 2uud n SER 28 Ca -0.18 -2.63 0.12 0.00 -1.33 0.00 0.00 58.87 54.84 2uud n SER 28 Cb 0.57 -1.24 0.20 0.00 -0.75 0.00 0.00 64.21 62.98 2uud n SER 28 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 2uud n PHE 29 N 11.05 0.18 0.18 0.66 7.35 -1.26 0.02 117.46 135.64 2uud n PHE 29 Ca 0.47 0.18 0.04 0.00 -0.76 0.00 0.00 57.45 57.38 2uud n PHE 29 Cb 0.43 -0.50 0.34 0.00 0.35 0.00 0.00 39.48 40.11 2uud n PHE 29 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2uud h THR 30 N 0.00 1.04 -0.57 -2.13 1.03 -1.87 -3.22 112.91 107.19 2uud h THR 30 Ca 0.25 -1.51 -0.31 0.00 -0.01 0.00 0.00 66.41 64.83 2uud h THR 30 Cb 0.85 1.88 -0.17 0.00 -1.07 0.00 0.00 68.15 69.63 2uud h THR 30 CO -0.12 0.39 0.39 0.47 -0.01 0.00 0.00 175.52 176.65 2uud n ASP 31 N -3.70 3.95 -3.82 0.00 10.43 0.10 -2.06 116.55 121.45 2uud n ASP 31 Ca -0.01 -2.96 -0.12 0.00 2.57 0.00 0.00 54.79 54.27 2uud n ASP 31 Cb 0.49 -0.75 -0.10 0.00 1.84 0.00 0.00 41.12 42.60 2uud n ASP 31 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 2uud s TYR 32 N -1.92 -0.10 0.29 1.24 1.51 -1.22 -4.88 117.35 112.27 2uud s TYR 32 Ca 0.33 0.20 -0.29 0.00 -1.01 0.00 0.00 57.07 56.30 2uud s TYR 32 Cb 0.27 0.03 -0.10 0.00 -0.11 0.00 0.00 41.96 42.06 2uud s TYR 32 CO 0.05 -0.25 1.11 0.71 -1.11 0.00 0.00 175.55 176.06 2uud s TYR 33 N -0.85 3.51 0.13 2.71 1.51 -1.26 -3.65 117.35 119.45 2uud s TYR 33 Ca -0.09 1.67 0.07 0.00 -1.01 0.00 0.00 57.07 57.71 2uud s TYR 33 Cb -0.05 -3.30 -0.04 0.00 -0.11 0.00 0.00 41.96 38.46 2uud s TYR 33 CO 0.02 -0.66 -0.15 -1.64 -1.11 0.00 0.00 175.55 172.01 2uud s MET 34 N -1.56 1.09 0.33 -0.62 -1.94 0.40 -0.27 119.30 116.72 2uud s MET 34 Ca 0.46 -1.29 -0.03 0.00 -1.71 0.00 0.00 55.69 53.12 2uud s MET 34 Cb -0.32 -1.02 -0.00 0.00 2.01 0.00 0.00 34.83 35.50 2uud s MET 34 CO 0.41 0.20 0.45 0.00 -0.01 0.00 0.00 175.02 176.06 2uud s ALA 35 N -2.12 0.75 -0.15 3.03 0.00 -0.78 0.12 121.76 122.60 2uud s ALA 35 Ca 0.11 -1.49 -0.04 0.00 0.00 0.00 0.00 51.96 50.53 2uud s ALA 35 Cb -0.05 1.18 0.05 0.00 0.00 0.00 0.00 23.12 24.30 2uud s ALA 35 CO 0.04 -0.78 0.08 -1.58 0.00 0.00 0.00 175.76 173.52 2uud s TRP 36 N -3.23 0.29 0.10 0.00 0.52 -1.05 -2.63 118.94 112.95 2uud s TRP 36 Ca 0.31 -0.30 0.03 0.00 0.02 0.00 0.00 56.10 56.16 2uud s TRP 36 Cb 0.00 -0.71 -0.04 0.00 -1.15 0.00 0.00 33.47 31.57 2uud s TRP 36 CO 0.19 -0.47 0.10 0.08 0.02 0.00 0.00 176.95 176.87 2uud s VAL 37 N 2.10 4.56 -0.03 4.03 1.01 -1.09 -2.07 120.40 128.91 2uud s VAL 37 Ca 0.02 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.19 2uud s VAL 37 Cb -0.15 -3.23 0.01 0.00 0.00 0.00 0.00 36.38 33.00 2uud s VAL 37 CO -0.08 0.07 -0.07 -0.60 0.00 0.00 0.00 175.10 174.42 2uud s ARG 38 N -2.58 0.92 -0.39 2.72 3.52 -0.01 -0.82 118.95 122.32 2uud s ARG 38 Ca 0.30 -0.23 0.02 0.00 -0.13 0.00 0.00 55.73 55.69 2uud s ARG 38 Cb -0.12 -0.87 0.12 0.00 -1.56 0.00 0.00 34.95 32.53 2uud s ARG 38 CO 0.23 0.04 0.16 -1.14 -0.81 0.00 0.00 175.30 173.77 2uud s GLN 39 N 0.46 1.20 0.56 5.12 0.74 -1.05 -0.53 119.66 126.16 2uud s GLN 39 Ca -0.07 -1.75 -0.21 0.00 0.05 0.00 0.00 55.36 53.39 2uud s GLN 39 Cb -0.11 -2.47 -0.05 0.00 1.10 0.00 0.00 33.01 31.48 2uud s GLN 39 CO 0.01 -1.06 1.25 -0.35 -0.55 0.00 0.00 175.29 174.59 2uud n PRO 40 N 4.04 1.46 -0.60 1.67 -0.04 -1.26 -2.74 135.00 137.53 2uud n PRO 40 Ca 0.04 0.54 0.47 0.00 -0.04 0.00 0.00 63.50 64.51 2uud n PRO 40 Cb 0.38 -2.45 0.76 0.00 -0.04 0.00 0.00 33.50 32.14 2uud n PRO 40 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 2uud h PRO 41 N 1.17 0.00 0.00 0.54 0.11 -1.95 -2.35 132.00 129.53 2uud h PRO 41 Ca -0.50 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2uud h PRO 41 Cb 1.32 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 2uud h PRO 41 CO 0.55 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.76 2uud n GLY 42 N -1.73 -1.72 0.00 -0.55 0.00 -1.26 -5.02 105.19 94.91 2uud n GLY 42 Ca 0.43 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.58 2uud n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2uud n LYS 43 N -0.23 0.00 -1.20 1.61 5.02 -0.88 -5.16 118.16 117.32 2uud n LYS 43 Ca 0.00 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.90 2uud n LYS 43 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.00 2uud n LYS 43 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2uud n ALA 44 N -3.00 -2.85 -1.78 7.82 0.00 -1.26 -4.55 120.51 114.89 2uud n ALA 44 Ca 0.00 0.13 -0.37 0.00 0.00 0.00 0.00 53.44 53.21 2uud n ALA 44 Cb 0.00 -1.36 -0.05 0.00 0.00 0.00 0.00 19.45 18.03 2uud n ALA 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2uud s LEU 45 N 3.87 4.25 -0.17 0.00 1.02 -1.26 -4.32 118.68 122.07 2uud s LEU 45 Ca 0.55 1.94 -0.05 0.00 0.02 0.00 0.00 54.13 56.59 2uud s LEU 45 Cb -0.61 -4.09 0.06 0.00 0.02 0.00 0.00 46.19 41.58 2uud s LEU 45 CO 0.57 -0.27 0.11 -0.70 0.02 0.00 0.00 176.35 176.08 2uud s GLU 46 N -2.25 0.08 0.21 1.70 2.12 0.31 -4.96 118.70 115.91 2uud s GLU 46 Ca 0.54 -0.01 -0.30 0.00 0.36 0.00 0.00 54.97 55.55 2uud s GLU 46 Cb -0.20 -1.67 -0.10 0.00 0.26 0.00 0.00 34.13 32.42 2uud s GLU 46 CO 0.26 -0.65 1.45 -0.46 -0.54 0.00 0.00 175.26 175.31 2uud s TRP 47 N 2.17 3.08 -0.16 5.30 -0.00 -1.26 -0.83 118.94 127.25 2uud s TRP 47 Ca 0.03 0.96 -0.11 0.00 -0.00 0.00 0.00 56.10 56.97 2uud s TRP 47 Cb -0.16 -3.80 -0.07 0.00 -0.00 0.00 0.00 33.47 29.44 2uud s TRP 47 CO -0.09 -2.71 -0.26 1.28 -0.00 0.00 0.00 176.95 175.17 2uud n LEU 48 N 2.89 1.54 -3.57 5.86 4.32 -0.88 -4.68 117.00 122.48 2uud n LEU 48 Ca 0.09 0.26 -0.16 0.00 -0.02 0.00 0.00 56.01 56.18 2uud n LEU 48 Cb 0.40 -0.61 -0.06 0.00 -1.62 0.00 0.00 43.42 41.53 2uud n LEU 48 CO 0.60 0.07 0.47 0.00 -1.22 0.00 0.00 177.39 177.31 2uud s ALA 49 N -2.49 -1.80 0.06 -1.18 0.00 -1.25 0.22 121.76 115.32 2uud s ALA 49 Ca -0.25 1.62 0.06 0.00 0.00 0.00 0.00 51.96 53.39 2uud s ALA 49 Cb 0.07 -0.54 -0.03 0.00 0.00 0.00 0.00 23.12 22.63 2uud s ALA 49 CO 0.33 -0.35 -0.17 0.12 0.00 0.00 0.00 175.76 175.70 2uud s PHE 50 N -0.56 1.44 -0.09 0.00 5.36 0.86 -2.52 117.98 122.47 2uud s PHE 50 Ca -0.06 -0.39 0.02 0.00 -0.96 0.00 0.00 56.93 55.54 2uud s PHE 50 Cb -0.02 -0.83 0.01 0.00 -0.34 0.00 0.00 43.02 41.84 2uud s PHE 50 CO 0.05 0.08 -0.15 -1.50 -1.46 0.00 0.00 175.22 172.25 2uud s ILE 51 N -1.00 1.40 0.60 3.12 1.10 0.31 -1.67 121.20 125.07 2uud s ILE 51 Ca 0.03 -0.62 -0.00 0.00 -0.51 0.00 0.00 60.65 59.55 2uud s ILE 51 Cb -0.09 -1.27 0.05 0.00 0.15 0.00 0.00 42.46 41.30 2uud s ILE 51 CO 0.02 0.42 0.84 -0.13 -2.11 0.00 0.00 174.94 173.98 2uud s ARG 52 N 0.73 2.38 0.99 3.50 0.52 -0.64 0.15 118.95 126.60 2uud s ARG 52 Ca -0.12 -0.73 -0.16 0.00 -0.52 0.00 0.00 55.73 54.20 2uud s ARG 52 Cb -0.16 -2.42 0.20 0.00 0.52 0.00 0.00 34.95 33.09 2uud s ARG 52 CO 0.03 -0.89 1.21 0.54 0.02 0.00 0.00 175.30 176.22 2uud s ASN 52 N -4.48 2.80 0.55 0.23 6.03 -1.24 -3.80 114.94 115.04 2uud s ASN 52 Ca 0.59 0.57 0.24 0.00 -1.03 0.00 0.00 52.86 53.22 2uud s ASN 52 Cb -0.10 -0.83 1.51 0.00 -3.03 0.00 0.00 41.25 38.81 2uud s ASN 52 CO 0.40 -2.95 2.14 0.50 -2.03 0.00 0.00 177.10 175.16 2uud h LYS 52 N -1.78 0.00 -0.04 3.55 3.64 -1.75 0.93 116.57 121.12 2uud h LYS 52 Ca -0.46 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 58.90 2uud h LYS 52 Cb 1.28 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.10 2uud h LYS 52 CO 0.45 0.00 -0.06 0.00 -2.27 0.00 0.00 179.45 177.57 2uud h ALA 52 N 1.90 1.83 -0.33 5.00 0.00 -1.92 -2.36 119.26 123.38 2uud h ALA 52 Ca 0.06 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 2uud h ALA 52 Cb 0.28 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 2uud h ALA 52 CO -0.00 0.13 0.01 0.09 0.00 0.00 0.00 179.25 179.48 2uud n ASN 53 N -4.43 3.53 -1.58 0.00 4.13 0.27 -4.96 115.26 112.22 2uud n ASN 53 Ca -0.02 -3.26 -0.17 0.00 1.68 0.00 0.00 54.58 52.80 2uud n ASN 53 Cb 0.16 -0.59 -0.05 0.00 -1.54 0.00 0.00 39.78 37.76 2uud n ASN 53 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2uud n GLY 54 N -0.69 0.88 3.88 7.41 0.00 -0.89 -3.35 105.19 112.43 2uud n GLY 54 Ca 0.27 -0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 2uud n GLY 54 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2uud n TYR 55 N -3.11 -2.12 -0.91 1.61 4.01 -0.89 -4.96 117.16 110.79 2uud n TYR 55 Ca -0.19 0.87 -0.29 0.00 -0.16 0.00 0.00 57.90 58.13 2uud n TYR 55 Cb 0.60 -4.01 0.19 0.00 -0.31 0.00 0.00 39.34 35.80 2uud n TYR 55 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2uud s THR 56 N -3.45 2.27 -0.10 -0.72 -4.23 -1.21 -4.60 115.64 103.61 2uud s THR 56 Ca 0.45 0.09 -0.08 0.00 -1.18 0.00 0.00 61.69 60.96 2uud s THR 56 Cb -0.23 -2.37 0.03 0.00 1.34 0.00 0.00 72.50 71.28 2uud s THR 56 CO 0.84 -0.12 0.26 0.28 -0.54 0.00 0.00 174.62 175.34 2uud s THR 57 N -2.74 -0.01 0.03 3.99 -1.32 -1.26 -1.62 115.64 112.71 2uud s THR 57 Ca 0.66 0.02 0.04 0.00 -1.21 0.00 0.00 61.69 61.20 2uud s THR 57 Cb -0.21 -0.37 -0.02 0.00 -1.51 0.00 0.00 72.50 70.39 2uud s THR 57 CO 0.60 0.01 -0.12 -1.81 -2.21 0.00 0.00 174.62 171.09 2uud s ASP 58 N 0.33 1.36 0.13 8.08 1.01 -0.67 -4.98 116.67 121.94 2uud s ASP 58 Ca -0.02 -0.39 0.07 0.00 0.71 0.00 0.00 52.55 52.92 2uud s ASP 58 Cb -0.03 -0.09 -0.04 0.00 1.01 0.00 0.00 42.92 43.77 2uud s ASP 58 CO -0.01 0.02 -0.16 -0.31 0.21 0.00 0.00 175.17 174.92 2uud s TYR 59 N -0.75 1.54 0.81 4.23 1.51 -1.26 -0.10 117.35 123.32 2uud s TYR 59 Ca 0.00 -0.52 -0.12 0.00 -1.01 0.00 0.00 57.07 55.42 2uud s TYR 59 Cb -0.07 -0.79 0.08 0.00 -0.11 0.00 0.00 41.96 41.07 2uud s TYR 59 CO 0.01 0.20 1.11 -1.12 -1.11 0.00 0.00 175.55 174.64 2uud s SER 60 N -2.48 4.42 0.36 2.29 0.01 0.58 -4.85 113.70 114.02 2uud s SER 60 Ca 0.11 1.15 0.19 0.00 1.31 0.00 0.00 55.95 58.70 2uud s SER 60 Cb -0.05 -1.83 0.41 0.00 0.21 0.00 0.00 66.02 64.75 2uud s SER 60 CO 0.04 -2.00 1.60 0.00 0.41 0.00 0.00 173.24 173.29 2uud h ALA 61 N -1.11 0.84 0.00 1.44 0.00 -1.95 -1.72 119.26 116.76 2uud h ALA 61 Ca -0.47 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.12 2uud h ALA 61 Cb 1.29 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2uud h ALA 61 CO 0.61 0.44 0.00 -1.13 0.00 0.00 0.00 179.25 179.17 2uud n SER 62 N -3.28 0.00 0.00 0.00 3.41 -1.26 -2.23 113.62 110.26 2uud n SER 62 Ca 0.01 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 2uud n SER 62 Cb 0.60 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 2uud n SER 62 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2uud n VAL 63 N -1.25 0.00 -0.36 -3.33 0.24 -1.17 -4.94 118.33 107.53 2uud n VAL 63 Ca 0.02 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.36 2uud n VAL 63 Cb 0.03 0.75 0.12 0.00 -1.47 0.00 0.00 33.84 33.26 2uud n VAL 63 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2uud n LYS 64 N 0.00 -0.12 -0.09 7.34 4.76 -0.66 -1.97 118.16 127.42 2uud n LYS 64 Ca 0.00 1.52 -0.09 0.00 -2.87 0.00 0.00 58.31 56.87 2uud n LYS 64 Cb 0.41 -2.27 -0.14 0.00 -1.84 0.00 0.00 35.03 31.19 2uud n LYS 64 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2uud n GLY 65 N -1.58 -0.88 0.00 0.72 0.00 -1.26 -4.76 105.19 97.42 2uud n GLY 65 Ca 0.14 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2uud n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2uud n ARG 66 N -2.71 0.00 -1.38 1.61 1.74 -1.11 -4.85 116.66 109.96 2uud n ARG 66 Ca -0.31 0.23 -0.34 0.00 -0.77 0.00 0.00 57.85 56.67 2uud n ARG 66 Cb 1.09 -0.99 0.10 0.00 -1.02 0.00 0.00 32.46 31.64 2uud n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2uud s PHE 67 N -1.21 2.02 -0.14 -1.55 0.40 -0.83 -3.93 117.98 112.73 2uud s PHE 67 Ca 0.00 1.61 -0.07 0.00 -0.60 0.00 0.00 56.93 57.87 2uud s PHE 67 Cb 0.00 -3.47 0.06 0.00 0.51 0.00 0.00 43.02 40.12 2uud s PHE 67 CO 0.00 -2.64 0.34 0.99 0.70 0.00 0.00 175.22 174.61 2uud s THR 68 N -2.03 -0.12 0.47 0.64 2.01 -0.27 -4.77 115.64 111.57 2uud s THR 68 Ca 0.74 0.14 0.00 0.00 0.31 0.00 0.00 61.69 62.88 2uud s THR 68 Cb -0.29 -0.52 0.00 0.00 0.01 0.00 0.00 72.50 71.71 2uud s THR 68 CO 0.46 0.06 0.70 -0.51 -0.69 0.00 0.00 174.62 174.64 2uud s ILE 69 N 1.55 3.82 0.02 1.82 2.07 -1.26 -1.00 121.20 128.22 2uud s ILE 69 Ca -0.08 -0.48 -0.28 0.00 -1.41 0.00 0.00 60.65 58.39 2uud s ILE 69 Cb -0.10 -3.42 0.10 0.00 0.13 0.00 0.00 42.46 39.17 2uud s ILE 69 CO -0.11 -0.30 0.95 -0.94 -1.91 0.00 0.00 174.94 172.63 2uud s SER 70 N -4.25 -0.28 -0.13 4.50 1.04 -1.02 -4.95 113.70 108.61 2uud s SER 70 Ca 0.50 -0.12 -0.06 0.00 0.48 0.00 0.00 55.95 56.75 2uud s SER 70 Cb -0.10 0.38 0.06 0.00 0.10 0.00 0.00 66.02 66.46 2uud s SER 70 CO 0.38 -0.65 0.29 0.00 0.98 0.00 0.00 173.24 174.24 2uud s ARG 71 N -3.08 0.23 -0.93 4.02 1.70 -1.26 -1.60 118.95 118.03 2uud s ARG 71 Ca 0.08 0.66 -0.17 0.00 -0.47 0.00 0.00 55.73 55.83 2uud s ARG 71 Cb -0.01 -0.06 0.16 0.00 -0.57 0.00 0.00 34.95 34.48 2uud s ARG 71 CO -0.05 -0.20 1.05 0.34 -1.08 0.00 0.00 175.30 175.36 2uud s ASP 72 N 1.65 6.73 0.54 -2.89 3.68 0.13 -4.87 116.67 121.62 2uud s ASP 72 Ca -0.06 -2.36 0.22 0.00 2.13 0.00 0.00 52.55 52.47 2uud s ASP 72 Cb -0.10 -2.34 1.45 0.00 -1.45 0.00 0.00 42.92 40.48 2uud s ASP 72 CO -0.10 -0.87 2.16 0.78 0.13 0.00 0.00 175.17 177.28 2uud h ASN 73 N 8.32 0.00 0.04 -0.34 4.21 -1.96 1.55 115.58 127.40 2uud h ASN 73 Ca 0.16 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.67 2uud h ASN 73 Cb 1.01 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.21 2uud h ASN 73 CO 1.01 0.03 -0.02 0.28 -1.29 0.00 0.00 177.43 177.45 2uud h SER 74 N 0.00 -0.05 1.38 5.81 0.02 -1.96 -3.30 113.55 115.45 2uud h SER 74 Ca -0.00 -0.64 0.00 0.00 -0.84 0.00 0.00 61.79 60.31 2uud h SER 74 Cb 0.07 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.62 2uud h SER 74 CO 0.00 0.69 0.00 0.00 -1.14 0.00 0.00 176.83 176.39 2uud n GLN 75 N -4.75 0.25 -3.01 3.45 1.13 -1.11 -4.96 117.38 108.39 2uud n GLN 75 Ca -0.08 0.24 -0.13 0.00 -1.94 0.00 0.00 57.00 55.09 2uud n GLN 75 Cb 0.33 -1.81 0.06 0.00 0.11 0.00 0.00 30.24 28.93 2uud n GLN 75 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 2uud n SER 76 N -2.26 -6.02 -4.03 1.08 7.64 0.52 -4.80 113.62 105.75 2uud n SER 76 Ca 0.05 -0.61 -0.13 0.00 1.01 0.00 0.00 58.87 59.20 2uud n SER 76 Cb 0.40 -4.57 -0.12 0.00 -1.01 0.00 0.00 64.21 58.92 2uud n SER 76 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2uud s ILE 77 N -3.33 0.45 -0.06 0.44 1.09 -0.64 -1.71 121.20 117.44 2uud s ILE 77 Ca 0.39 -0.92 0.05 0.00 -1.10 0.00 0.00 60.65 59.07 2uud s ILE 77 Cb -0.05 -0.51 -0.02 0.00 -1.06 0.00 0.00 42.46 40.82 2uud s ILE 77 CO 0.64 -0.32 -0.21 -0.22 -0.10 0.00 0.00 174.94 174.72 2uud s LEU 78 N -1.34 2.31 0.21 2.97 1.98 -0.04 0.18 118.68 124.96 2uud s LEU 78 Ca -0.09 -0.40 0.10 0.00 -2.89 0.00 0.00 54.13 50.85 2uud s LEU 78 Cb -0.09 -1.44 -0.05 0.00 0.66 0.00 0.00 46.19 45.28 2uud s LEU 78 CO 0.00 0.28 -0.20 -0.31 -1.89 0.00 0.00 176.35 174.23 2uud s TYR 79 N -0.35 2.08 -0.29 5.38 2.02 -0.63 0.44 117.35 126.00 2uud s TYR 79 Ca 0.02 -0.41 -0.04 0.00 -0.37 0.00 0.00 57.07 56.27 2uud s TYR 79 Cb -0.12 -0.98 0.10 0.00 -0.40 0.00 0.00 41.96 40.56 2uud s TYR 79 CO 0.02 0.50 0.13 -1.17 -1.57 0.00 0.00 175.55 173.46 2uud s LEU 80 N -3.02 0.54 -0.16 -1.29 2.96 -0.11 -2.44 118.68 115.17 2uud s LEU 80 Ca 0.22 -1.29 -0.25 0.00 -0.22 0.00 0.00 54.13 52.59 2uud s LEU 80 Cb -0.05 -0.35 -0.02 0.00 0.50 0.00 0.00 46.19 46.27 2uud s LEU 80 CO 0.10 -0.44 0.82 -1.58 -1.32 0.00 0.00 176.35 173.94 2uud s GLN 81 N 2.10 4.31 -0.15 1.98 0.74 -0.17 -0.97 119.66 127.48 2uud s GLN 81 Ca 0.09 1.01 -0.02 0.00 0.05 0.00 0.00 55.36 56.49 2uud s GLN 81 Cb -0.16 -3.57 -0.02 0.00 1.10 0.00 0.00 33.01 30.37 2uud s GLN 81 CO -0.37 -0.30 -0.09 -1.64 -0.55 0.00 0.00 175.29 172.34 2uud s MET 82 N 2.07 3.46 0.21 1.67 -1.94 0.44 -1.12 119.30 124.10 2uud s MET 82 Ca 0.38 -0.63 0.10 0.00 -1.71 0.00 0.00 55.69 53.84 2uud s MET 82 Cb -0.17 -2.78 -0.04 0.00 2.01 0.00 0.00 34.83 33.85 2uud s MET 82 CO 0.13 0.15 -0.13 -0.80 -0.01 0.00 0.00 175.02 174.35 2uud s ASN 82 N 0.56 4.00 -1.13 3.03 -0.87 -1.25 -0.99 114.94 118.29 2uud s ASN 82 Ca -0.06 -0.73 -0.26 0.00 -1.57 0.00 0.00 52.86 50.24 2uud s ASN 82 Cb -0.15 -0.56 0.04 0.00 -0.02 0.00 0.00 41.25 40.55 2uud s ASN 82 CO 0.03 0.08 0.49 1.07 -2.57 0.00 0.00 177.10 176.20 2uud n THR 82 N -0.18 -2.03 -0.48 1.60 5.66 -1.01 -4.71 114.28 113.13 2uud n THR 82 Ca -0.09 -0.51 -0.29 0.00 -3.05 0.00 0.00 64.05 60.11 2uud n THR 82 Cb 0.57 -1.75 0.25 0.00 -1.55 0.00 0.00 70.33 67.84 2uud n THR 82 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2uud n LEU 82 N -4.54 -1.92 0.00 1.09 4.77 -0.37 -4.55 117.00 111.47 2uud n LEU 82 Ca -0.13 -0.26 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 2uud n LEU 82 Cb 0.52 -1.15 0.00 0.00 -2.33 0.00 0.00 43.42 40.46 2uud n LEU 82 CO 0.68 -3.42 0.00 -1.14 -1.33 0.00 0.00 177.39 172.18 2uud n ARG 83 N -4.41 0.00 0.31 3.23 0.00 -1.26 -0.31 116.66 114.22 2uud n ARG 83 Ca 0.03 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.75 2uud n ARG 83 Cb 0.56 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.96 2uud n ARG 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2uud h ALA 84 N 1.90 -1.21 0.00 5.13 0.00 -1.97 -2.74 119.26 120.38 2uud h ALA 84 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2uud h ALA 84 Cb 0.00 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2uud h ALA 84 CO 0.00 -1.15 0.02 0.39 0.00 0.00 0.00 179.25 178.51 2uud n GLU 85 N -4.20 0.00 0.07 0.00 4.71 -1.26 -0.91 120.64 119.04 2uud n GLU 85 Ca -0.10 0.25 -0.03 0.00 -0.01 0.00 0.00 57.16 57.27 2uud n GLU 85 Cb 0.32 -1.52 -0.08 0.00 -1.01 0.00 0.00 31.44 29.15 2uud n GLU 85 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 2uud h ASP 86 N 0.00 0.00 -2.04 1.62 3.32 -1.83 -3.45 116.42 114.04 2uud h ASP 86 Ca 0.00 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.47 2uud h ASP 86 Cb 0.05 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.60 2uud h ASP 86 CO 0.00 0.79 1.39 -1.20 -1.72 0.00 0.00 179.24 178.50 2uud n SER 87 N -3.20 3.48 -3.62 6.45 7.64 -0.09 -4.87 113.62 119.42 2uud n SER 87 Ca -0.03 0.47 -0.00 0.00 1.01 0.00 0.00 58.87 60.32 2uud n SER 87 Cb 0.88 -1.52 -0.01 0.00 -1.01 0.00 0.00 64.21 62.56 2uud n SER 87 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2uud s ALA 88 N 6.84 -2.18 -0.43 -0.43 0.00 -0.04 -4.34 121.76 121.17 2uud s ALA 88 Ca 0.97 0.92 -0.25 0.00 0.00 0.00 0.00 51.96 53.61 2uud s ALA 88 Cb -0.42 0.24 0.02 0.00 0.00 0.00 0.00 23.12 22.96 2uud s ALA 88 CO 0.39 -0.93 0.89 0.99 0.00 0.00 0.00 175.76 177.10 2uud s THR 89 N -2.44 4.55 -0.20 0.00 2.01 -1.11 -1.57 115.64 116.89 2uud s THR 89 Ca 0.13 0.78 -0.22 0.00 0.31 0.00 0.00 61.69 62.69 2uud s THR 89 Cb 0.03 -4.37 -0.02 0.00 0.01 0.00 0.00 72.50 68.15 2uud s THR 89 CO -0.04 -0.72 0.67 -0.31 -0.69 0.00 0.00 174.62 173.53 2uud s TYR 90 N 3.56 3.38 0.33 4.92 1.51 0.85 -2.53 117.35 129.35 2uud s TYR 90 Ca 0.35 0.99 0.07 0.00 -1.01 0.00 0.00 57.07 57.47 2uud s TYR 90 Cb -0.11 -2.85 -0.02 0.00 -0.11 0.00 0.00 41.96 38.87 2uud s TYR 90 CO 0.23 -0.20 0.36 0.71 -1.11 0.00 0.00 175.55 175.54 2uud s TYR 91 N 2.01 3.02 -0.06 2.71 1.51 -0.00 -1.38 117.35 125.15 2uud s TYR 91 Ca 0.30 -0.25 0.03 0.00 -1.01 0.00 0.00 57.07 56.15 2uud s TYR 91 Cb -0.16 -1.85 -0.02 0.00 -0.11 0.00 0.00 41.96 39.82 2uud s TYR 91 CO 0.11 0.13 -0.16 0.00 -1.11 0.00 0.00 175.55 174.52 2uud s ALA 93 N -0.49 0.44 -0.09 0.00 0.00 -1.08 -0.62 121.76 119.92 2uud s ALA 93 Ca 0.06 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.32 2uud s ALA 93 Cb -0.12 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.10 2uud s ALA 93 CO 0.02 -0.06 -0.07 0.50 0.00 0.00 0.00 175.76 176.15 2uud s ARG 94 N -1.51 1.35 0.98 0.00 3.52 -0.98 -1.86 118.95 120.45 2uud s ARG 94 Ca -0.11 -0.21 -0.14 0.00 -0.13 0.00 0.00 55.73 55.13 2uud s ARG 94 Cb -0.10 -1.39 0.03 0.00 -1.56 0.00 0.00 34.95 31.93 2uud s ARG 94 CO -0.00 -0.20 0.24 0.41 -0.81 0.00 0.00 175.30 174.94 2uud n GLY 95 N 4.69 -2.29 3.75 8.12 0.00 0.62 -2.01 105.19 118.07 2uud n GLY 95 Ca -0.15 -0.75 -0.30 0.00 0.00 0.00 0.00 46.02 44.82 2uud n GLY 95 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2uud s ASP 96 N -1.91 5.36 0.00 1.61 2.15 0.13 -4.66 116.67 119.36 2uud s ASP 96 Ca 0.55 -0.08 0.00 0.00 0.43 0.00 0.00 52.55 53.46 2uud s ASP 96 Cb -0.19 -1.39 0.00 0.00 -0.30 0.00 0.00 42.92 41.04 2uud s ASP 96 CO 0.69 0.16 0.81 0.00 -0.17 0.00 0.00 175.17 176.65 2uud n TYR 97 N 0.42 0.00 -4.02 -5.34 4.11 -1.26 -4.31 117.16 106.75 2uud n TYR 97 Ca -0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 57.90 57.80 2uud n TYR 97 Cb 0.52 -0.31 -0.00 0.00 -0.00 0.00 0.00 39.34 39.55 2uud n TYR 97 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.86 177.52 2uud n TYR 98 N -1.31 0.03 -0.26 -3.48 4.01 -1.26 -4.99 117.16 109.91 2uud n TYR 98 Ca 0.00 -0.07 -0.16 0.00 -0.16 0.00 0.00 57.90 57.51 2uud n TYR 98 Cb 0.18 -0.01 -0.04 0.00 -0.31 0.00 0.00 39.34 39.16 2uud n TYR 98 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2uud n GLY 99 N 4.84 1.07 3.03 2.72 0.00 -1.26 -4.71 105.19 110.88 2uud n GLY 99 Ca -0.01 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.54 2uud n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2uud s ALA 100 N 5.40 -0.59 -0.07 4.61 0.00 -1.26 -5.04 121.76 124.81 2uud s ALA 100 Ca 0.25 0.98 -0.21 0.00 0.00 0.00 0.00 51.96 52.99 2uud s ALA 100 Cb 0.05 -0.94 -0.29 0.00 0.00 0.00 0.00 23.12 21.94 2uud s ALA 100 CO 0.13 -0.54 0.77 -1.49 0.00 0.00 0.00 175.76 174.62 2uud h TRP 100 N 8.02 0.46 -2.39 0.00 4.06 -1.90 0.37 115.95 124.58 2uud h TRP 100 Ca -0.21 -0.34 -0.67 0.00 2.06 0.00 0.00 58.89 59.74 2uud h TRP 100 Cb 1.12 -0.02 -0.37 0.00 -1.00 0.00 0.00 29.16 28.89 2uud h TRP 100 CO 0.36 1.37 -0.14 1.19 -3.56 0.00 0.00 178.44 177.66 2uud n PHE 100 N -4.11 3.29 0.12 0.49 3.72 -1.26 -0.94 117.46 118.77 2uud n PHE 100 Ca -0.17 -3.62 -0.02 0.00 -0.05 0.00 0.00 57.45 53.58 2uud n PHE 100 Cb 0.82 -0.77 0.10 0.00 -0.94 0.00 0.00 39.48 38.69 2uud n PHE 100 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2uud h ALA 101 N 4.34 0.79 -3.24 4.37 0.00 -1.65 -3.43 119.26 120.44 2uud h ALA 101 Ca 0.21 -0.64 -0.48 0.00 0.00 0.00 0.00 54.91 54.00 2uud h ALA 101 Cb 0.60 -0.11 -0.39 0.00 0.00 0.00 0.00 17.79 17.89 2uud h ALA 101 CO 0.99 0.88 -0.76 0.71 0.00 0.00 0.00 179.25 181.06 2uud s TYR 102 N -3.33 0.81 0.26 0.00 2.02 -1.20 -4.99 117.35 110.92 2uud s TYR 102 Ca -0.00 -0.56 0.01 0.00 -0.37 0.00 0.00 57.07 56.15 2uud s TYR 102 Cb 0.12 -0.91 -0.04 0.00 -0.40 0.00 0.00 41.96 40.73 2uud s TYR 102 CO 0.77 -0.50 0.44 -1.58 -1.57 0.00 0.00 175.55 173.11 2uud s TRP 103 N 1.93 3.48 0.53 2.71 0.52 -1.26 -2.33 118.94 124.52 2uud s TRP 103 Ca 0.01 0.28 -0.04 0.00 0.02 0.00 0.00 56.10 56.38 2uud s TRP 103 Cb -0.15 -1.82 0.11 0.00 -1.15 0.00 0.00 33.47 30.46 2uud s TRP 103 CO -0.07 0.31 0.72 0.41 0.02 0.00 0.00 176.95 178.34 2uud n GLY 104 N -1.15 -0.09 0.14 0.98 0.00 0.21 -4.76 105.19 100.52 2uud n GLY 104 Ca -0.05 -1.89 0.13 0.00 0.00 0.00 0.00 46.02 44.21 2uud n GLY 104 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2uud h GLN 105 N 0.00 0.00 0.00 1.61 -0.00 -1.91 -3.44 115.11 111.36 2uud h GLN 105 Ca -0.24 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.41 2uud h GLN 105 Cb 0.77 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.25 2uud h GLN 105 CO 0.21 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.45 2uud n GLY 106 N 1.06 -1.60 3.08 0.06 0.00 -1.26 -5.03 105.19 101.50 2uud n GLY 106 Ca 0.05 -1.36 -0.26 0.00 0.00 0.00 0.00 46.02 44.44 2uud n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2uud s THR 107 N -2.94 1.34 0.21 2.61 -1.32 -0.48 -4.87 115.64 110.19 2uud s THR 107 Ca 0.00 -0.62 -0.20 0.00 -1.21 0.00 0.00 61.69 59.66 2uud s THR 107 Cb 0.00 -1.18 -0.08 0.00 -1.51 0.00 0.00 72.50 69.73 2uud s THR 107 CO 0.00 0.40 0.73 -0.22 -2.21 0.00 0.00 174.62 173.31 2uud s LEU 108 N 0.40 4.37 -0.01 9.08 0.20 -1.26 -0.11 118.68 131.35 2uud s LEU 108 Ca -0.11 1.44 0.03 0.00 0.69 0.00 0.00 54.13 56.18 2uud s LEU 108 Cb -0.14 -3.55 -0.01 0.00 -0.43 0.00 0.00 46.19 42.06 2uud s LEU 108 CO 0.04 0.05 -0.11 -0.69 -0.29 0.00 0.00 176.35 175.35 2uud s VAL 109 N -1.48 0.90 -0.14 1.68 1.01 -0.61 -2.38 120.40 119.38 2uud s VAL 109 Ca 0.42 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.91 2uud s VAL 109 Cb -0.17 -0.76 0.04 0.00 0.00 0.00 0.00 36.38 35.49 2uud s VAL 109 CO 0.21 0.26 -0.03 -0.89 0.00 0.00 0.00 175.10 174.66 2uud s THR 110 N -0.19 0.84 -0.30 3.92 2.01 -0.57 -0.86 115.64 120.49 2uud s THR 110 Ca 0.03 -0.42 0.01 0.00 0.31 0.00 0.00 61.69 61.62 2uud s THR 110 Cb -0.05 -1.05 0.09 0.00 0.01 0.00 0.00 72.50 71.50 2uud s THR 110 CO -0.00 0.12 0.06 -0.69 -0.69 0.00 0.00 174.62 173.42 2uud s VAL 111 N 1.76 1.35 0.00 3.82 1.01 -1.26 -1.57 120.40 125.51 2uud s VAL 111 Ca 0.02 -1.59 0.00 0.00 0.00 0.00 0.00 61.98 60.41 2uud s VAL 111 Cb -0.15 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.30 2uud s VAL 111 CO -0.07 -0.54 0.00 -0.24 0.00 0.00 0.00 175.10 174.25 2uud n SER 112 N 4.67 0.00 -0.34 3.32 2.88 -1.25 -3.63 113.62 119.25 2uud n SER 112 Ca -0.02 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.56 2uud n SER 112 Cb 0.43 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.92 2uud n SER 112 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81