#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uud n VAL 2 N 0.00 0.26 -3.78 6.31 0.31 -1.24 -3.74 118.33 116.46 2uud n VAL 2 Ca 0.00 -0.06 -0.14 0.00 -0.01 0.00 0.00 64.34 64.13 2uud n VAL 2 Cb 0.00 -1.69 -0.15 0.00 -0.91 0.00 0.00 33.84 31.09 2uud n VAL 2 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2uud s LYS 3 N 0.62 0.02 -0.10 5.55 -0.14 0.14 -4.94 119.74 120.89 2uud s LYS 3 Ca 0.75 0.24 0.00 0.00 -1.36 0.00 0.00 55.97 55.59 2uud s LYS 3 Cb -0.61 -0.18 0.02 0.00 -1.68 0.00 0.00 37.83 35.38 2uud s LYS 3 CO 0.39 -0.14 -0.09 -0.51 -0.76 0.00 0.00 175.35 174.24 2uud s LEU 4 N 0.95 1.29 -0.29 3.17 1.02 -1.26 -0.57 118.68 122.99 2uud s LEU 4 Ca -0.08 -0.30 0.02 0.00 0.02 0.00 0.00 54.13 53.79 2uud s LEU 4 Cb -0.10 -0.83 0.08 0.00 0.02 0.00 0.00 46.19 45.36 2uud s LEU 4 CO -0.04 -0.08 0.02 -0.69 0.02 0.00 0.00 176.35 175.58 2uud s VAL 5 N 1.46 1.64 0.40 -1.59 1.01 -0.32 -3.73 120.40 119.28 2uud s VAL 5 Ca 0.00 -1.67 -0.24 0.00 0.00 0.00 0.00 61.98 60.07 2uud s VAL 5 Cb -0.13 -2.09 -0.09 0.00 0.00 0.00 0.00 36.38 34.07 2uud s VAL 5 CO -0.06 -0.42 1.03 -1.61 0.00 0.00 0.00 175.10 174.05 2uud s GLU 6 N 1.27 4.17 0.18 2.72 8.01 -1.26 -1.99 118.70 131.80 2uud s GLU 6 Ca 0.04 1.46 0.04 0.00 0.01 0.00 0.00 54.97 56.52 2uud s GLU 6 Cb -0.19 -2.50 -0.01 0.00 -4.31 0.00 0.00 34.13 27.12 2uud s GLU 6 CO -0.12 -0.13 0.14 0.43 0.01 0.00 0.00 175.26 175.60 2uud n SER 7 N -0.13 -0.20 0.00 -0.19 7.64 -0.79 -4.81 113.62 115.14 2uud n SER 7 Ca 0.05 -2.14 0.00 0.00 1.01 0.00 0.00 58.87 57.79 2uud n SER 7 Cb 0.50 0.84 0.00 0.00 -1.01 0.00 0.00 64.21 64.54 2uud n SER 7 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2uud n GLY 8 N -0.22 0.62 0.00 0.23 0.00 -1.26 -2.22 105.19 102.35 2uud n GLY 8 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2uud n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2uud n GLY 9 N -2.73 -1.92 0.00 -0.02 0.00 -1.26 -4.28 105.19 94.98 2uud n GLY 9 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.56 2uud n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2uud n GLY 10 N 3.00 1.96 3.50 -0.02 0.00 -0.30 -4.96 105.19 108.36 2uud n GLY 10 Ca 0.00 -1.90 -0.43 0.00 0.00 0.00 0.00 46.02 43.69 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 4.72 -0.10 0.99 1.98 -1.26 -2.77 118.68 122.24 2uud s LEU 11 Ca 0.00 -0.53 0.04 0.00 -2.89 0.00 0.00 54.13 50.74 2uud s LEU 11 Cb 0.00 -2.50 -0.00 0.00 0.66 0.00 0.00 46.19 44.35 2uud s LEU 11 CO 0.00 -0.63 -0.22 0.54 -1.89 0.00 0.00 176.35 174.15 2uud s VAL 12 N 2.35 2.24 0.65 1.68 0.11 -0.51 -5.03 120.40 121.90 2uud s VAL 12 Ca 0.16 -0.96 -0.16 0.00 -2.93 0.00 0.00 61.98 58.09 2uud s VAL 12 Cb -0.16 -1.86 -0.00 0.00 -1.53 0.00 0.00 36.38 32.82 2uud s VAL 12 CO 0.15 0.56 1.14 0.00 -3.33 0.00 0.00 175.10 173.61 2uud s GLN 13 N 0.27 2.75 0.91 1.54 -2.07 -1.26 -3.20 119.66 118.60 2uud s GLN 13 Ca -0.15 1.51 -0.12 0.00 -1.82 0.00 0.00 55.36 54.78 2uud s GLN 13 Cb -0.17 -1.93 0.07 0.00 -1.09 0.00 0.00 33.01 29.88 2uud s GLN 13 CO 0.08 -1.31 0.69 -0.35 -1.32 0.00 0.00 175.29 173.08 2uud n PRO 14 N -2.28 -0.25 0.00 9.60 -0.04 -1.26 -2.16 135.00 138.61 2uud n PRO 14 Ca 0.11 -0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 2uud n PRO 14 Cb 0.51 -2.05 0.00 0.00 -0.04 0.00 0.00 33.50 31.93 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 1.09 1.99 3.13 0.55 0.00 0.38 -4.83 105.19 107.50 2uud n GLY 15 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.82 -2.83 2.52 -0.02 0.00 -0.92 -2.06 105.19 101.07 2uud n GLY 16 Ca 0.00 -0.45 -0.29 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.39 3.26 0.38 1.61 1.04 -1.26 -1.20 113.70 116.13 2uud s SER 17 Ca 0.45 -1.93 -0.03 0.00 0.48 0.00 0.00 55.95 54.93 2uud s SER 17 Cb -0.01 -0.47 -0.04 0.00 0.10 0.00 0.00 66.02 65.61 2uud s SER 17 CO 0.67 -0.35 0.63 -0.76 0.98 0.00 0.00 173.24 174.41 2uud s LEU 18 N 1.34 3.90 -0.44 2.42 1.02 -0.63 -4.88 118.68 121.41 2uud s LEU 18 Ca 0.15 0.67 0.02 0.00 0.02 0.00 0.00 54.13 54.99 2uud s LEU 18 Cb -0.21 -3.55 0.14 0.00 0.02 0.00 0.00 46.19 42.59 2uud s LEU 18 CO -0.12 -0.37 0.26 -0.60 0.02 0.00 0.00 176.35 175.54 2uud s ARG 19 N -4.29 1.27 0.72 1.70 3.52 -1.26 -1.35 118.95 119.26 2uud s ARG 19 Ca 0.43 -2.03 -0.13 0.00 -0.13 0.00 0.00 55.73 53.88 2uud s ARG 19 Cb -0.10 -2.26 0.03 0.00 -1.56 0.00 0.00 34.95 31.07 2uud s ARG 19 CO 0.38 -1.19 1.11 -0.51 -0.81 0.00 0.00 175.30 174.28 2uud s LEU 20 N 0.30 3.20 0.39 -0.88 1.43 -1.20 -4.52 118.68 117.39 2uud s LEU 20 Ca 0.19 1.94 0.06 0.00 -1.03 0.00 0.00 54.13 55.28 2uud s LEU 20 Cb -0.21 -4.54 -0.02 0.00 0.03 0.00 0.00 46.19 41.44 2uud s LEU 20 CO -0.02 -1.90 0.20 -0.94 0.23 0.00 0.00 176.35 173.93 2uud s SER 21 N -2.95 2.42 -0.31 2.29 1.04 -0.94 -2.14 113.70 113.11 2uud s SER 21 Ca 0.64 -1.75 0.02 0.00 0.48 0.00 0.00 55.95 55.35 2uud s SER 21 Cb -0.19 0.59 0.16 0.00 0.10 0.00 0.00 66.02 66.67 2uud s SER 21 CO 0.49 -1.02 0.40 0.00 0.98 0.00 0.00 173.24 174.09 2uud s ALA 23 N 2.35 2.82 0.02 0.00 0.00 -0.84 -0.86 121.76 125.25 2uud s ALA 23 Ca 0.11 0.55 -0.03 0.00 0.00 0.00 0.00 51.96 52.58 2uud s ALA 23 Cb -0.13 -3.25 -0.01 0.00 0.00 0.00 0.00 23.12 19.73 2uud s ALA 23 CO -0.26 -0.50 0.05 0.95 0.00 0.00 0.00 175.76 175.99 2uud s THR 24 N -2.13 0.11 -0.04 0.00 -4.23 -0.85 -1.17 115.64 107.33 2uud s THR 24 Ca 0.66 -0.92 -0.14 0.00 -1.18 0.00 0.00 61.69 60.11 2uud s THR 24 Cb -0.17 -0.50 0.03 0.00 1.34 0.00 0.00 72.50 73.20 2uud s THR 24 CO 0.26 -0.51 0.33 -0.55 -0.54 0.00 0.00 174.62 173.61 2uud s SER 25 N -1.64 -0.24 0.00 3.99 0.15 0.27 -4.87 113.70 111.36 2uud s SER 25 Ca -0.12 0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.78 2uud s SER 25 Cb -0.07 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 2uud s SER 25 CO -0.01 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.67 2uud n GLY 26 N 1.66 0.79 3.64 9.45 0.00 -1.24 0.28 105.19 119.76 2uud n GLY 26 Ca -0.19 -0.55 -0.07 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.00 -0.43 -0.73 1.61 -0.12 -1.26 -3.99 117.98 111.06 2uud s PHE 27 Ca 0.00 1.01 -0.26 0.00 -0.05 0.00 0.00 56.93 57.64 2uud s PHE 27 Cb 0.00 0.37 -0.11 0.00 -0.63 0.00 0.00 43.02 42.65 2uud s PHE 27 CO 0.00 -0.21 2.36 -1.12 -0.05 0.00 0.00 175.22 176.19 2uud s SER 28 N 0.42 4.15 0.15 1.98 0.01 -1.26 -4.73 113.70 114.42 2uud s SER 28 Ca 0.01 0.23 0.05 0.00 1.31 0.00 0.00 55.95 57.55 2uud s SER 28 Cb -0.05 -2.54 0.26 0.00 0.21 0.00 0.00 66.02 63.91 2uud s SER 28 CO -0.09 -3.53 0.94 0.33 0.41 0.00 0.00 173.24 171.31 2uud n PHE 29 N 17.52 0.16 0.09 2.43 7.35 -1.26 -1.85 117.46 141.91 2uud n PHE 29 Ca 0.43 0.09 -0.06 0.00 -0.76 0.00 0.00 57.45 57.15 2uud n PHE 29 Cb 0.46 -0.37 0.06 0.00 0.35 0.00 0.00 39.48 39.98 2uud n PHE 29 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 2uud h THR 30 N 0.00 1.47 -0.96 -2.13 2.02 -1.91 -3.36 112.91 108.04 2uud h THR 30 Ca 0.00 -2.39 -0.59 0.00 0.77 0.00 0.00 66.41 64.19 2uud h THR 30 Cb 0.65 2.29 -0.29 0.00 -1.74 0.00 0.00 68.15 69.06 2uud h THR 30 CO 0.00 0.70 0.68 0.47 0.37 0.00 0.00 175.52 177.73 2uud n ASP 31 N -3.73 5.94 -3.88 4.18 10.43 -0.77 -2.59 116.55 126.14 2uud n ASP 31 Ca -0.02 -3.73 -0.10 0.00 2.57 0.00 0.00 54.79 53.51 2uud n ASP 31 Cb 0.72 -0.88 -0.09 0.00 1.84 0.00 0.00 41.12 42.71 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 -3.61 0.11 -0.12 1.24 2.02 -1.26 -4.89 117.35 110.84 2uud s TYR 32 Ca 0.61 -0.37 -0.29 0.00 -0.37 0.00 0.00 57.07 56.64 2uud s TYR 32 Cb 0.49 -0.07 -0.01 0.00 -0.40 0.00 0.00 41.96 41.97 2uud s TYR 32 CO 0.03 -0.41 1.02 0.71 -1.57 0.00 0.00 175.55 175.33 2uud s TYR 33 N -2.64 3.48 -0.37 2.71 1.51 -1.26 -3.90 117.35 116.88 2uud s TYR 33 Ca -0.05 1.57 -0.04 0.00 -1.01 0.00 0.00 57.07 57.55 2uud s TYR 33 Cb -0.01 -3.21 0.08 0.00 -0.11 0.00 0.00 41.96 38.72 2uud s TYR 33 CO -0.04 -0.29 0.14 -1.64 -1.11 0.00 0.00 175.55 172.61 2uud s MET 34 N 2.19 2.26 0.63 -0.62 -1.94 -0.29 -2.10 119.30 119.43 2uud s MET 34 Ca 0.48 -1.55 0.03 0.00 -1.71 0.00 0.00 55.69 52.94 2uud s MET 34 Cb -0.18 -3.48 0.09 0.00 2.01 0.00 0.00 34.83 33.28 2uud s MET 34 CO 0.16 -0.88 0.88 0.00 -0.01 0.00 0.00 175.02 175.17 2uud s ALA 35 N 1.23 4.04 -0.02 3.03 0.00 0.13 -2.09 121.76 128.08 2uud s ALA 35 Ca 0.03 -1.75 0.01 0.00 0.00 0.00 0.00 51.96 50.24 2uud s ALA 35 Cb -0.22 -1.86 0.01 0.00 0.00 0.00 0.00 23.12 21.05 2uud s ALA 35 CO -0.02 -1.11 -0.02 -1.58 0.00 0.00 0.00 175.76 173.03 2uud s TRP 36 N -2.91 0.35 -0.17 0.00 0.52 -1.20 -2.55 118.94 112.99 2uud s TRP 36 Ca 0.63 -0.05 -0.06 0.00 0.02 0.00 0.00 56.10 56.65 2uud s TRP 36 Cb -0.07 -0.33 0.08 0.00 -1.15 0.00 0.00 33.47 32.00 2uud s TRP 36 CO 0.41 -0.07 0.34 0.14 0.02 0.00 0.00 176.95 177.79 2uud s VAL 37 N 0.47 -0.53 0.53 4.03 -7.23 -0.84 -2.29 120.40 114.54 2uud s VAL 37 Ca -0.05 0.20 -0.00 0.00 -1.81 0.00 0.00 61.98 60.32 2uud s VAL 37 Cb -0.08 -0.58 0.02 0.00 0.56 0.00 0.00 36.38 36.31 2uud s VAL 37 CO -0.01 0.07 0.77 0.00 -0.31 0.00 0.00 175.10 175.62 2uud s ARG 38 N 2.52 2.72 -0.33 4.82 1.70 -1.10 -0.20 118.95 129.07 2uud s ARG 38 Ca 0.01 -0.59 0.01 0.00 -0.47 0.00 0.00 55.73 54.69 2uud s ARG 38 Cb -0.12 -2.47 0.14 0.00 -0.57 0.00 0.00 34.95 31.93 2uud s ARG 38 CO -0.11 -0.61 0.30 -1.14 -1.08 0.00 0.00 175.30 172.66 2uud s GLN 39 N -4.75 0.47 0.32 3.89 0.74 0.12 -2.25 119.66 118.20 2uud s GLN 39 Ca 0.54 -0.66 -0.28 0.00 0.05 0.00 0.00 55.36 55.02 2uud s GLN 39 Cb -0.10 -0.83 -0.13 0.00 1.10 0.00 0.00 33.01 33.04 2uud s GLN 39 CO 0.39 -1.12 1.10 -0.35 -0.55 0.00 0.00 175.29 174.75 2uud n PRO 40 N 4.68 1.60 -1.57 1.67 -0.04 -1.26 -2.32 135.00 137.75 2uud n PRO 40 Ca 0.05 0.56 -0.13 0.00 -0.04 0.00 0.00 63.50 63.94 2uud n PRO 40 Cb 0.44 -2.02 -0.08 0.00 -0.04 0.00 0.00 33.50 31.80 2uud n PRO 40 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2uud s PRO 41 N -1.71 1.50 0.00 0.54 0.04 -1.26 -3.23 135.00 130.88 2uud s PRO 41 Ca 0.58 0.32 0.00 0.00 0.04 0.00 0.00 61.00 61.94 2uud s PRO 41 Cb -0.64 -4.82 0.00 0.00 0.04 0.00 0.00 34.50 29.08 2uud s PRO 41 CO 0.60 -4.68 0.00 0.41 0.04 0.00 0.00 177.00 173.37 2uud n GLY 42 N 6.70 -1.51 3.41 0.56 0.00 -1.26 -5.13 105.19 107.95 2uud n GLY 42 Ca 0.46 0.53 -0.14 0.00 0.00 0.00 0.00 46.02 46.87 2uud n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2uud s LYS 43 N 0.00 1.10 0.39 1.61 1.02 -1.20 -5.14 119.74 117.52 2uud s LYS 43 Ca 0.00 -0.27 0.00 0.00 0.02 0.00 0.00 55.97 55.72 2uud s LYS 43 Cb 0.00 0.51 0.00 0.00 -0.52 0.00 0.00 37.83 37.82 2uud s LYS 43 CO 0.00 -0.42 0.00 0.00 -0.92 0.00 0.00 175.35 174.01 2uud n ALA 44 N 0.22 -2.07 -2.14 5.17 0.00 -1.26 -4.58 120.51 115.85 2uud n ALA 44 Ca -0.18 0.41 -0.37 0.00 0.00 0.00 0.00 53.44 53.30 2uud n ALA 44 Cb 0.61 -1.32 -0.06 0.00 0.00 0.00 0.00 19.45 18.68 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 -2.42 4.45 -0.16 0.00 1.43 -1.26 -4.41 118.68 116.30 2uud s LEU 45 Ca 0.00 1.40 -0.02 0.00 -1.03 0.00 0.00 54.13 54.48 2uud s LEU 45 Cb 0.00 -3.32 0.05 0.00 0.03 0.00 0.00 46.19 42.95 2uud s LEU 45 CO 0.00 0.14 -0.01 -0.70 0.23 0.00 0.00 176.35 176.01 2uud s GLU 46 N -1.58 0.97 0.04 1.70 2.12 -0.96 -5.05 118.70 115.94 2uud s GLU 46 Ca 0.37 -0.38 -0.31 0.00 0.36 0.00 0.00 54.97 55.02 2uud s GLU 46 Cb -0.19 -1.88 -0.06 0.00 0.26 0.00 0.00 34.13 32.26 2uud s GLU 46 CO 0.22 -0.50 1.37 -0.46 -0.54 0.00 0.00 175.26 175.35 2uud s TRP 47 N 1.78 3.05 0.00 5.30 -0.00 -1.26 -2.69 118.94 125.11 2uud s TRP 47 Ca 0.01 0.92 0.00 0.00 -0.00 0.00 0.00 56.10 57.03 2uud s TRP 47 Cb -0.16 -3.64 0.00 0.00 -0.00 0.00 0.00 33.47 29.68 2uud s TRP 47 CO -0.07 -2.28 0.00 1.28 -0.00 0.00 0.00 176.95 175.88 2uud n LEU 48 N 4.76 0.00 -4.95 5.86 4.77 -0.97 -4.75 117.00 121.72 2uud n LEU 48 Ca 0.12 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.82 2uud n LEU 48 Cb 0.44 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.70 2uud n LEU 48 CO 0.58 0.00 0.80 0.00 -1.33 0.00 0.00 177.39 177.44 2uud s ALA 49 N -2.56 2.60 0.00 -1.18 0.00 -1.25 -3.38 121.76 115.99 2uud s ALA 49 Ca 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 51.96 50.52 2uud s ALA 49 Cb 0.00 -2.53 0.00 0.00 0.00 0.00 0.00 23.12 20.59 2uud s ALA 49 CO 0.00 -2.29 0.00 0.34 0.00 0.00 0.00 175.76 173.81 2uud n PHE 50 N -3.58 0.00 -4.18 0.00 -0.00 -1.00 -3.21 117.46 105.50 2uud n PHE 50 Ca 0.16 0.00 -0.18 0.00 -0.00 0.00 0.00 57.45 57.44 2uud n PHE 50 Cb 0.60 0.00 -0.15 0.00 -0.00 0.00 0.00 39.48 39.92 2uud n PHE 50 CO 0.00 0.00 0.00 -1.50 -0.00 0.00 0.00 176.76 175.26 2uud s ILE 51 N -0.76 0.47 0.76 -2.13 2.07 -0.89 -2.14 121.20 118.60 2uud s ILE 51 Ca 0.00 -0.19 -0.08 0.00 -1.41 0.00 0.00 60.65 58.97 2uud s ILE 51 Cb 0.00 -0.45 0.09 0.00 0.13 0.00 0.00 42.46 42.23 2uud s ILE 51 CO 0.00 0.17 1.09 -0.60 -1.91 0.00 0.00 174.94 173.68 2uud s ARG 52 N 0.30 1.88 0.31 3.50 6.06 -0.02 -1.14 118.95 129.84 2uud s ARG 52 Ca -0.03 -0.29 -0.03 0.00 -2.50 0.00 0.00 55.73 52.88 2uud s ARG 52 Cb -0.07 -2.10 0.07 0.00 0.06 0.00 0.00 34.95 32.91 2uud s ARG 52 CO -0.00 -1.50 0.43 0.27 -2.50 0.00 0.00 175.30 172.00 2uud n ASN 52 N -3.11 0.24 0.17 -2.12 0.23 -1.25 -4.04 115.26 105.37 2uud n ASN 52 Ca 0.10 -1.28 -0.14 0.00 -0.53 0.00 0.00 54.58 52.73 2uud n ASN 52 Cb 0.60 -0.31 -0.08 0.00 -2.08 0.00 0.00 39.78 37.91 2uud n ASN 52 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 2uud h LYS 52 N 0.00 -0.38 0.00 -3.83 3.64 -1.84 0.40 116.57 114.56 2uud h LYS 52 Ca -0.14 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 2uud h LYS 52 Cb 0.44 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 2uud h LYS 52 CO 0.12 -0.14 0.21 0.00 -2.27 0.00 0.00 179.45 177.37 2uud n ALA 52 N -2.36 0.63 -1.59 5.00 0.00 -1.26 0.40 120.51 121.32 2uud n ALA 52 Ca -0.10 0.02 0.06 0.00 0.00 0.00 0.00 53.44 53.43 2uud n ALA 52 Cb 0.23 -0.65 0.13 0.00 0.00 0.00 0.00 19.45 19.15 2uud n ALA 52 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2uud n ASN 53 N -1.44 1.61 -3.21 0.00 4.13 -0.99 -5.01 115.26 110.35 2uud n ASN 53 Ca -0.00 -3.09 -0.23 0.00 1.68 0.00 0.00 54.58 52.94 2uud n ASN 53 Cb 0.21 -0.42 0.02 0.00 -1.54 0.00 0.00 39.78 38.05 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 -0.86 -0.51 4.11 7.41 0.00 0.16 -3.32 105.19 112.19 2uud n GLY 54 Ca 0.13 0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.94 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 -4.32 -1.38 -2.10 1.61 4.01 0.10 -4.87 117.16 110.21 2uud n TYR 55 Ca -0.06 0.56 -0.40 0.00 -0.16 0.00 0.00 57.90 57.84 2uud n TYR 55 Cb 0.58 -1.82 -0.02 0.00 -0.31 0.00 0.00 39.34 37.78 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 -3.01 2.69 -0.11 -0.72 -4.23 -1.21 -4.48 115.64 104.57 2uud s THR 56 Ca 0.66 0.68 0.02 0.00 -1.18 0.00 0.00 61.69 61.87 2uud s THR 56 Cb -0.38 -3.42 0.01 0.00 1.34 0.00 0.00 72.50 70.05 2uud s THR 56 CO 0.81 0.14 -0.16 0.42 -0.54 0.00 0.00 174.62 175.29 2uud s THR 57 N -1.18 1.58 0.24 3.99 -4.23 -1.26 -0.84 115.64 113.94 2uud s THR 57 Ca 0.51 -0.70 0.10 0.00 -1.18 0.00 0.00 61.69 60.43 2uud s THR 57 Cb -0.39 -1.43 -0.04 0.00 1.34 0.00 0.00 72.50 71.98 2uud s THR 57 CO 0.52 0.46 -0.09 -1.81 -0.54 0.00 0.00 174.62 173.15 2uud s ASP 58 N 0.90 4.14 0.04 3.99 1.11 -0.91 -4.99 116.67 120.96 2uud s ASP 58 Ca -0.08 -0.75 0.00 0.00 0.18 0.00 0.00 52.55 51.90 2uud s ASP 58 Cb -0.15 -0.63 -0.00 0.00 1.07 0.00 0.00 42.92 43.21 2uud s ASP 58 CO -0.01 0.04 0.05 -1.22 1.18 0.00 0.00 175.17 175.22 2uud n TYR 59 N -0.53 -0.39 -4.35 4.23 0.53 -1.26 -2.37 117.16 113.01 2uud n TYR 59 Ca -0.07 -0.31 -0.19 0.00 -1.02 0.00 0.00 57.90 56.30 2uud n TYR 59 Cb 0.58 0.06 -0.10 0.00 -1.03 0.00 0.00 39.34 38.85 2uud n TYR 59 CO 0.00 0.00 0.00 -1.54 -1.02 0.00 0.00 176.86 174.30 2uud s SER 60 N -1.28 2.67 0.13 7.72 1.04 -1.22 -4.91 113.70 117.86 2uud s SER 60 Ca 0.04 -1.00 -0.28 0.00 0.48 0.00 0.00 55.95 55.19 2uud s SER 60 Cb 0.00 -0.15 -0.04 0.00 0.10 0.00 0.00 66.02 65.92 2uud s SER 60 CO 0.03 -0.14 1.59 0.00 0.98 0.00 0.00 173.24 175.70 2uud h ALA 61 N 2.62 -0.54 0.00 5.32 0.00 -1.96 1.84 119.26 126.54 2uud h ALA 61 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2uud h ALA 61 Cb 1.22 0.76 0.00 0.00 0.00 0.00 0.00 17.79 19.78 2uud h ALA 61 CO 0.60 -0.90 0.56 -1.13 0.00 0.00 0.00 179.25 178.38 2uud n SER 62 N -5.43 0.08 0.00 0.00 3.41 -1.26 -2.51 113.62 107.91 2uud n SER 62 Ca -0.04 0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 2uud n SER 62 Cb 0.36 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 2uud n SER 62 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2uud n VAL 63 N -1.66 0.00 -1.64 -3.33 0.31 0.30 -4.96 118.33 107.36 2uud n VAL 63 Ca -0.00 0.00 -0.48 0.00 -0.01 0.00 0.00 64.34 63.85 2uud n VAL 63 Cb 0.56 -0.11 -0.05 0.00 -0.91 0.00 0.00 33.84 33.33 2uud n VAL 63 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 2uud n LYS 64 N -0.73 2.01 0.00 5.55 2.85 0.60 -0.83 118.16 127.61 2uud n LYS 64 Ca 0.00 0.70 0.00 0.00 -1.05 0.00 0.00 58.31 57.96 2uud n LYS 64 Cb 0.06 -2.71 0.00 0.00 -0.65 0.00 0.00 35.03 31.73 2uud n LYS 64 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2uud n GLY 65 N 4.92 3.19 0.09 2.58 0.00 -1.26 -4.85 105.19 109.85 2uud n GLY 65 Ca 0.26 -1.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.11 2uud n GLY 65 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2uud h ARG 66 N 0.00 0.07 -6.24 1.61 3.08 -1.34 -3.47 114.38 108.09 2uud h ARG 66 Ca 0.00 -0.12 -0.67 0.00 0.07 0.00 0.00 59.98 59.27 2uud h ARG 66 Cb 0.00 0.04 -0.14 0.00 0.08 0.00 0.00 29.97 29.95 2uud h ARG 66 CO 0.00 1.06 -0.67 -0.06 -1.07 0.00 0.00 179.97 179.23 2uud s PHE 67 N -2.31 2.99 0.19 3.04 0.08 -0.40 -3.46 117.98 118.11 2uud s PHE 67 Ca -0.20 0.02 0.08 0.00 0.12 0.00 0.00 56.93 56.94 2uud s PHE 67 Cb 0.00 -1.62 -0.05 0.00 -0.57 0.00 0.00 43.02 40.79 2uud s PHE 67 CO 0.70 0.44 -0.15 0.95 -0.10 0.00 0.00 175.22 177.05 2uud s THR 68 N -1.10 1.72 0.41 0.64 -4.23 -0.88 -4.67 115.64 107.53 2uud s THR 68 Ca 0.20 -2.13 0.07 0.00 -1.18 0.00 0.00 61.69 58.65 2uud s THR 68 Cb -0.11 -1.97 -0.05 0.00 1.34 0.00 0.00 72.50 71.71 2uud s THR 68 CO 0.11 -0.54 0.22 -0.63 -0.54 0.00 0.00 174.62 173.24 2uud s ILE 69 N -2.76 2.40 -0.18 2.99 1.01 -1.26 -0.63 121.20 122.77 2uud s ILE 69 Ca 0.20 -1.62 -0.35 0.00 0.00 0.00 0.00 60.65 58.88 2uud s ILE 69 Cb -0.02 -3.00 0.14 0.00 0.01 0.00 0.00 42.46 39.60 2uud s ILE 69 CO 0.06 -0.01 1.31 -0.94 0.00 0.00 0.00 174.94 175.37 2uud s SER 70 N -3.95 -0.07 0.32 3.58 1.04 -1.19 -4.92 113.70 108.51 2uud s SER 70 Ca 0.42 -0.03 0.03 0.00 0.48 0.00 0.00 55.95 56.86 2uud s SER 70 Cb 0.02 0.09 -0.04 0.00 0.10 0.00 0.00 66.02 66.19 2uud s SER 70 CO 0.24 -0.15 0.11 -0.13 0.98 0.00 0.00 173.24 174.29 2uud s ARG 71 N -2.25 1.62 -0.42 4.02 0.52 -1.26 -1.71 118.95 119.46 2uud s ARG 71 Ca 0.12 -1.92 0.08 0.00 -0.52 0.00 0.00 55.73 53.49 2uud s ARG 71 Cb 0.01 -0.42 0.28 0.00 0.52 0.00 0.00 34.95 35.34 2uud s ARG 71 CO -0.04 -0.35 0.77 -3.47 0.02 0.00 0.00 175.30 172.23 2uud n ASP 72 N -0.81 -0.90 -0.59 0.23 2.03 -0.87 -4.97 116.55 110.68 2uud n ASP 72 Ca -0.01 -3.11 0.47 0.00 0.52 0.00 0.00 54.79 52.66 2uud n ASP 72 Cb 0.66 0.46 0.79 0.00 -0.72 0.00 0.00 41.12 42.30 2uud n ASP 72 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 2uud h ASN 73 N 3.58 0.03 -0.59 1.67 2.35 -1.95 1.34 115.58 122.00 2uud h ASN 73 Ca -0.01 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 2uud h ASN 73 Cb 0.98 0.01 -0.03 0.00 0.05 0.00 0.00 38.32 39.33 2uud h ASN 73 CO 0.38 -0.02 0.34 0.28 -1.65 0.00 0.00 177.43 176.76 2uud h SER 74 N 0.01 0.74 -0.33 5.81 0.02 -1.95 -2.92 113.55 114.94 2uud h SER 74 Ca 0.84 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.74 2uud h SER 74 Cb 3.28 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 65.64 2uud h SER 74 CO -0.05 0.59 0.00 0.00 -1.14 0.00 0.00 176.83 176.23 2uud n GLN 75 N -4.39 2.89 -3.99 3.45 6.02 0.45 -4.99 117.38 116.82 2uud n GLN 75 Ca 0.06 -2.14 -0.27 0.00 -0.01 0.00 0.00 57.00 54.64 2uud n GLN 75 Cb 0.09 -1.34 -0.03 0.00 1.02 0.00 0.00 30.24 29.99 2uud n GLN 75 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2uud n SER 76 N 0.36 -0.65 -4.21 1.08 7.64 -0.43 -4.77 113.62 112.64 2uud n SER 76 Ca 0.13 -1.06 -0.19 0.00 1.01 0.00 0.00 58.87 58.76 2uud n SER 76 Cb 0.48 -2.82 -0.12 0.00 -1.01 0.00 0.00 64.21 60.75 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 -3.97 1.26 0.17 0.44 1.01 -1.22 -2.01 121.20 116.88 2uud s ILE 77 Ca 0.06 -1.49 0.10 0.00 0.00 0.00 0.00 60.65 59.31 2uud s ILE 77 Cb -0.02 -1.30 -0.04 0.00 0.01 0.00 0.00 42.46 41.10 2uud s ILE 77 CO 0.91 -0.28 -0.22 -0.22 0.00 0.00 0.00 174.94 175.12 2uud s LEU 78 N -2.04 2.41 0.09 2.97 1.98 -0.04 -2.04 118.68 122.01 2uud s LEU 78 Ca 0.03 -0.83 0.02 0.00 -2.89 0.00 0.00 54.13 50.46 2uud s LEU 78 Cb -0.08 -1.02 -0.04 0.00 0.66 0.00 0.00 46.19 45.71 2uud s LEU 78 CO 0.03 0.07 -0.08 -0.31 -1.89 0.00 0.00 176.35 174.17 2uud s TYR 79 N -1.68 0.89 -0.31 5.38 2.02 -0.70 -0.12 117.35 122.84 2uud s TYR 79 Ca 0.17 -0.76 -0.02 0.00 -0.37 0.00 0.00 57.07 56.09 2uud s TYR 79 Cb -0.08 -0.51 0.11 0.00 -0.40 0.00 0.00 41.96 41.08 2uud s TYR 79 CO 0.08 -0.09 0.13 -1.17 -1.57 0.00 0.00 175.55 172.93 2uud s LEU 80 N -2.59 1.31 -0.28 -1.29 2.96 -0.91 -3.19 118.68 114.69 2uud s LEU 80 Ca 0.06 -1.58 -0.29 0.00 -0.22 0.00 0.00 54.13 52.10 2uud s LEU 80 Cb -0.00 -0.58 -0.02 0.00 0.50 0.00 0.00 46.19 46.09 2uud s LEU 80 CO -0.02 -0.41 1.74 -1.58 -1.32 0.00 0.00 176.35 174.76 2uud s GLN 81 N 1.73 3.51 -0.20 1.98 2.00 0.20 -3.24 119.66 125.64 2uud s GLN 81 Ca 0.11 1.54 -0.02 0.00 -2.00 0.00 0.00 55.36 54.99 2uud s GLN 81 Cb -0.18 -4.14 -0.00 0.00 0.80 0.00 0.00 33.01 29.49 2uud s GLN 81 CO -0.27 -1.64 -0.09 -1.64 -0.50 0.00 0.00 175.29 171.15 2uud s MET 82 N 5.29 3.27 0.15 1.67 -1.94 -0.45 -2.07 119.30 125.22 2uud s MET 82 Ca 0.77 -0.69 0.06 0.00 -1.71 0.00 0.00 55.69 54.13 2uud s MET 82 Cb -0.24 -2.86 -0.04 0.00 2.01 0.00 0.00 34.83 33.70 2uud s MET 82 CO 0.33 -0.17 -0.14 -0.80 -0.01 0.00 0.00 175.02 174.23 2uud s ASN 82 N 1.34 2.18 -0.61 3.03 0.01 -1.23 -1.60 114.94 118.06 2uud s ASN 82 Ca 0.04 -0.90 -0.17 0.00 -0.71 0.00 0.00 52.86 51.13 2uud s ASN 82 Cb -0.14 -0.09 0.02 0.00 0.41 0.00 0.00 41.25 41.46 2uud s ASN 82 CO -0.05 -0.17 0.64 0.41 -1.51 0.00 0.00 177.10 176.42 2uud n THR 82 N 0.17 -5.89 -3.07 1.60 -1.04 -0.46 -4.81 114.28 100.78 2uud n THR 82 Ca -0.13 0.14 -0.39 0.00 -2.04 0.00 0.00 64.05 61.63 2uud n THR 82 Cb 0.58 -4.49 -0.05 0.00 -1.82 0.00 0.00 70.33 64.55 2uud n THR 82 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2uud s LEU 82 N -3.54 4.43 0.52 -4.42 2.01 -0.35 -4.74 118.68 112.58 2uud s LEU 82 Ca 0.18 1.32 0.05 0.00 0.01 0.00 0.00 54.13 55.69 2uud s LEU 82 Cb -0.03 -3.10 0.02 0.00 0.01 0.00 0.00 46.19 43.09 2uud s LEU 82 CO 0.85 0.04 0.31 -0.13 1.01 0.00 0.00 176.35 178.42 2uud s ARG 83 N -0.03 2.26 0.18 1.70 0.52 -1.26 0.14 118.95 122.46 2uud s ARG 83 Ca 0.36 -2.04 -0.13 0.00 -0.52 0.00 0.00 55.73 53.40 2uud s ARG 83 Cb -0.19 -2.01 0.13 0.00 0.52 0.00 0.00 34.95 33.40 2uud s ARG 83 CO 0.20 -0.50 1.80 0.00 0.02 0.00 0.00 175.30 176.82 2uud h ALA 84 N 0.94 0.67 0.00 2.13 0.00 -1.98 -2.59 119.26 118.42 2uud h ALA 84 Ca -0.39 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2uud h ALA 84 Cb 1.30 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2uud h ALA 84 CO 0.61 -0.05 0.00 -1.91 0.00 0.00 0.00 179.25 177.90 2uud n GLU 85 N -4.85 0.92 -0.00 0.00 4.07 -1.26 -2.51 120.64 117.00 2uud n GLU 85 Ca 0.04 0.00 0.04 0.00 -0.06 0.00 0.00 57.16 57.18 2uud n GLU 85 Cb 0.12 -1.13 -0.06 0.00 -0.06 0.00 0.00 31.44 30.32 2uud n GLU 85 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 2uud n ASP 86 N 0.43 1.95 -4.68 4.31 8.00 -0.98 -4.95 116.55 120.64 2uud n ASP 86 Ca 0.00 -0.29 -0.42 0.00 0.71 0.00 0.00 54.79 54.78 2uud n ASP 86 Cb 0.41 1.22 -0.03 0.00 -0.02 0.00 0.00 41.12 42.70 2uud n ASP 86 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2uud s SER 87 N -2.44 6.66 -0.00 -2.24 1.04 -1.05 -4.87 113.70 110.81 2uud s SER 87 Ca -0.00 2.34 -0.14 0.00 0.48 0.00 0.00 55.95 58.63 2uud s SER 87 Cb 0.06 -2.55 0.05 0.00 0.10 0.00 0.00 66.02 63.67 2uud s SER 87 CO 0.33 -0.87 0.64 0.00 0.98 0.00 0.00 173.24 174.32 2uud n ALA 88 N 6.10 -1.79 -2.97 5.32 0.00 0.25 -4.41 120.51 123.01 2uud n ALA 88 Ca 0.16 -0.42 -0.38 0.00 0.00 0.00 0.00 53.44 52.80 2uud n ALA 88 Cb 0.42 0.10 -0.12 0.00 0.00 0.00 0.00 19.45 19.85 2uud n ALA 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2uud s THR 89 N -2.11 4.39 -0.30 0.00 2.01 -0.98 -0.28 115.64 118.37 2uud s THR 89 Ca 0.15 -0.51 -0.20 0.00 0.31 0.00 0.00 61.69 61.44 2uud s THR 89 Cb -0.00 -3.25 -0.01 0.00 0.01 0.00 0.00 72.50 69.25 2uud s THR 89 CO -0.00 0.07 0.62 -0.31 -0.69 0.00 0.00 174.62 174.31 2uud s TYR 90 N 1.58 3.22 0.21 4.92 1.51 0.52 -0.70 117.35 128.61 2uud s TYR 90 Ca 0.04 0.57 -0.03 0.00 -1.01 0.00 0.00 57.07 56.64 2uud s TYR 90 Cb -0.17 -2.97 -0.05 0.00 -0.11 0.00 0.00 41.96 38.66 2uud s TYR 90 CO 0.05 -0.46 0.43 0.71 -1.11 0.00 0.00 175.55 175.17 2uud s TYR 91 N 2.58 3.48 0.09 2.71 2.02 0.71 -2.47 117.35 126.47 2uud s TYR 91 Ca 0.25 0.47 0.04 0.00 -0.37 0.00 0.00 57.07 57.46 2uud s TYR 91 Cb -0.15 -1.96 -0.04 0.00 -0.40 0.00 0.00 41.96 39.41 2uud s TYR 91 CO 0.12 0.33 0.06 0.00 -1.57 0.00 0.00 175.55 174.49 2uud s ALA 93 N -1.38 -1.87 0.02 0.00 0.00 -1.06 -1.63 121.76 115.83 2uud s ALA 93 Ca 0.28 1.62 0.02 0.00 0.00 0.00 0.00 51.96 53.89 2uud s ALA 93 Cb -0.12 -0.71 -0.01 0.00 0.00 0.00 0.00 23.12 22.28 2uud s ALA 93 CO 0.21 -0.32 -0.08 -0.98 0.00 0.00 0.00 175.76 174.60 2uud s ARG 94 N -0.67 0.55 0.43 0.00 1.70 -1.06 0.17 118.95 120.08 2uud s ARG 94 Ca -0.03 -0.45 -0.07 0.00 -0.47 0.00 0.00 55.73 54.70 2uud s ARG 94 Cb -0.02 -0.47 0.11 0.00 -0.57 0.00 0.00 34.95 34.00 2uud s ARG 94 CO 0.02 0.12 0.43 0.41 -1.08 0.00 0.00 175.30 175.20 2uud n GLY 95 N 2.34 -2.22 3.45 3.88 0.00 -0.78 -0.89 105.19 110.97 2uud n GLY 95 Ca -0.17 -1.52 -0.30 0.00 0.00 0.00 0.00 46.02 44.03 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 -2.66 3.68 0.08 1.61 2.15 -0.30 -4.60 116.67 116.64 2uud s ASP 96 Ca 0.27 -0.57 -0.26 0.00 0.43 0.00 0.00 52.55 52.41 2uud s ASP 96 Cb -0.02 -0.47 -0.11 0.00 -0.30 0.00 0.00 42.92 42.02 2uud s ASP 96 CO 0.20 0.20 1.42 0.22 -0.17 0.00 0.00 175.17 177.05 2uud h TYR 97 N 4.05 -1.21 -3.53 -5.34 -0.00 -1.96 -3.31 116.97 105.68 2uud h TYR 97 Ca -0.49 0.04 -0.54 0.00 -0.00 0.00 0.00 58.73 57.73 2uud h TYR 97 Cb 1.16 0.53 0.20 0.00 -0.00 0.00 0.00 36.73 38.62 2uud h TYR 97 CO 0.57 -0.45 -0.32 0.66 -0.00 0.00 0.00 178.16 178.62 2uud n TYR 98 N -4.77 -0.67 0.00 -3.82 4.01 -1.26 -4.61 117.16 106.03 2uud n TYR 98 Ca -0.06 0.31 0.00 0.00 -0.16 0.00 0.00 57.90 57.99 2uud n TYR 98 Cb 0.31 -1.89 0.00 0.00 -0.31 0.00 0.00 39.34 37.45 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 1.32 0.03 3.85 2.72 0.00 -1.26 -4.85 105.19 107.01 2uud n GLY 99 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 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 0.48 3.70 -0.23 4.61 0.00 -1.24 -4.97 121.76 124.10 2uud s ALA 100 Ca 0.00 -0.30 -0.19 0.00 0.00 0.00 0.00 51.96 51.48 2uud s ALA 100 Cb 0.00 -2.33 -0.16 0.00 0.00 0.00 0.00 23.12 20.62 2uud s ALA 100 CO 0.00 0.52 0.01 0.91 0.00 0.00 0.00 175.76 177.20 2uud n TRP 100 N 1.28 0.67 -3.83 0.00 7.02 -1.26 -1.15 117.44 120.18 2uud n TRP 100 Ca -0.10 0.29 -0.31 0.00 -1.02 0.00 0.00 57.50 56.36 2uud n TRP 100 Cb 0.52 -1.06 -0.11 0.00 -2.42 0.00 0.00 31.31 28.25 2uud n TRP 100 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 2uud s PHE 100 N -2.41 3.61 -0.16 -5.99 0.08 -1.26 -1.86 117.98 109.99 2uud s PHE 100 Ca -0.32 -3.21 0.17 0.00 0.12 0.00 0.00 56.93 53.69 2uud s PHE 100 Cb 0.09 -2.89 -0.02 0.00 -0.57 0.00 0.00 43.02 39.62 2uud s PHE 100 CO 0.55 -0.64 1.15 0.00 -0.10 0.00 0.00 175.22 176.18 2uud h ALA 101 N 5.78 0.66 -3.65 5.36 0.00 -1.27 -3.46 119.26 122.68 2uud h ALA 101 Ca 0.11 -0.57 -0.27 0.00 0.00 0.00 0.00 54.91 54.18 2uud h ALA 101 Cb 0.80 0.08 -0.31 0.00 0.00 0.00 0.00 17.79 18.36 2uud h ALA 101 CO 0.75 0.68 -0.73 0.71 0.00 0.00 0.00 179.25 180.67 2uud s TYR 102 N -2.98 0.06 -0.00 0.00 1.51 -1.14 -5.01 117.35 109.79 2uud s TYR 102 Ca 0.01 0.04 0.07 0.00 -1.01 0.00 0.00 57.07 56.18 2uud s TYR 102 Cb 0.08 -0.13 -0.02 0.00 -0.11 0.00 0.00 41.96 41.78 2uud s TYR 102 CO 0.78 -0.04 -0.23 -1.58 -1.11 0.00 0.00 175.55 173.36 2uud s TRP 103 N 0.44 2.05 1.05 2.71 0.52 -1.26 -2.55 118.94 121.90 2uud s TRP 103 Ca -0.04 -0.39 -0.14 0.00 0.02 0.00 0.00 56.10 55.56 2uud s TRP 103 Cb -0.06 -1.29 0.22 0.00 -1.15 0.00 0.00 33.47 31.18 2uud s TRP 103 CO -0.01 0.00 1.09 0.20 0.02 0.00 0.00 176.95 178.26 2uud s GLY 104 N -0.72 1.56 0.42 0.98 0.00 -0.65 -4.81 107.32 104.11 2uud s GLY 104 Ca 0.09 -0.48 0.13 0.00 0.00 0.00 0.00 44.72 44.46 2uud s GLY 104 CO -0.00 0.19 1.94 0.06 0.00 0.00 0.00 173.10 175.30 2uud h GLN 105 N -2.08 0.05 0.00 2.90 -0.00 -1.93 -3.43 115.11 110.63 2uud h GLN 105 Ca -0.54 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.10 2uud h GLN 105 Cb 1.33 -0.01 0.00 0.00 -0.00 0.00 0.00 27.48 28.80 2uud h GLN 105 CO 0.54 0.26 0.00 0.41 -0.00 0.00 0.00 178.83 180.04 2uud n GLY 106 N -0.88 2.88 2.93 0.06 0.00 -1.26 -5.04 105.19 103.88 2uud n GLY 106 Ca -0.02 -1.92 -0.10 0.00 0.00 0.00 0.00 46.02 43.98 2uud n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2uud s THR 107 N -2.86 0.07 -0.25 2.61 2.01 -1.03 -4.75 115.64 111.45 2uud s THR 107 Ca 0.00 -0.52 -0.11 0.00 0.31 0.00 0.00 61.69 61.36 2uud s THR 107 Cb 0.00 -0.16 -0.05 0.00 0.01 0.00 0.00 72.50 72.30 2uud s THR 107 CO 0.00 -0.28 0.20 -0.22 -0.69 0.00 0.00 174.62 173.63 2uud s LEU 108 N -0.83 4.10 -0.27 4.42 2.96 -1.26 -0.35 118.68 127.44 2uud s LEU 108 Ca -0.09 0.13 0.01 0.00 -0.22 0.00 0.00 54.13 53.96 2uud s LEU 108 Cb -0.06 -2.16 0.05 0.00 0.50 0.00 0.00 46.19 44.53 2uud s LEU 108 CO -0.01 0.02 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.28 2uud s VAL 109 N 1.27 2.52 -0.24 1.68 1.01 0.61 -1.15 120.40 126.09 2uud s VAL 109 Ca 0.09 -1.49 -0.03 0.00 0.00 0.00 0.00 61.98 60.55 2uud s VAL 109 Cb -0.14 -2.44 0.01 0.00 0.00 0.00 0.00 36.38 33.80 2uud s VAL 109 CO 0.06 -0.03 -0.04 0.42 0.00 0.00 0.00 175.10 175.52 2uud s THR 110 N 1.18 3.27 -0.84 3.92 -4.23 -1.11 0.84 115.64 118.65 2uud s THR 110 Ca -0.07 -0.69 -0.13 0.00 -1.18 0.00 0.00 61.69 59.62 2uud s THR 110 Cb -0.19 -2.57 0.22 0.00 1.34 0.00 0.00 72.50 71.30 2uud s THR 110 CO -0.04 0.31 0.78 -0.69 -0.54 0.00 0.00 174.62 174.44 2uud s VAL 111 N 1.43 5.50 0.37 2.29 1.01 -1.26 -1.42 120.40 128.31 2uud s VAL 111 Ca 0.04 -2.63 0.05 0.00 0.00 0.00 0.00 61.98 59.45 2uud s VAL 111 Cb -0.15 -4.40 -0.07 0.00 0.00 0.00 0.00 36.38 31.76 2uud s VAL 111 CO -0.03 -1.03 0.03 -0.44 0.00 0.00 0.00 175.10 173.62 2uud s SER 112 N 1.93 3.13 0.00 3.32 0.01 -1.19 -4.52 113.70 116.38 2uud s SER 112 Ca 0.19 -1.37 0.25 0.00 1.31 0.00 0.00 55.95 56.33 2uud s SER 112 Cb -0.11 -0.24 1.49 0.00 0.21 0.00 0.00 66.02 67.37 2uud s SER 112 CO -0.09 -0.52 1.85 0.00 0.41 0.00 0.00 173.24 174.90