#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qtu n SER 2 N 0.00 0.63 -2.78 1.61 3.41 -1.26 -3.93 113.62 111.31 1qtu n SER 2 Ca 0.00 0.69 -0.22 0.00 -0.26 0.00 0.00 58.87 59.08 1qtu n SER 2 Cb 0.00 -0.81 -0.07 0.00 -0.26 0.00 0.00 64.21 63.07 1qtu n SER 2 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 1qtu n MET 3 N -2.24 2.36 -2.21 4.33 3.85 -0.91 -4.75 117.12 117.56 1qtu n MET 3 Ca 0.01 -1.41 -0.42 0.00 -1.00 0.00 0.00 57.70 54.88 1qtu n MET 3 Cb 0.17 -2.33 -0.03 0.00 -1.05 0.00 0.00 33.22 29.98 1qtu n MET 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1qtu s ALA 4 N 2.23 3.56 0.00 3.17 0.00 -1.25 -3.17 121.76 126.29 1qtu s ALA 4 Ca 0.54 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.57 1qtu s ALA 4 Cb 0.19 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.78 1qtu s ALA 4 CO -0.03 -0.58 0.00 0.41 0.00 0.00 0.00 175.76 175.56 1qtu n GLY 5 N 3.44 1.52 2.78 0.00 0.00 -1.26 -4.53 105.19 107.14 1qtu n GLY 5 Ca 0.11 0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1qtu n GLY 5 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1qtu n GLU 6 N 0.00 2.52 -1.08 1.61 2.13 -1.26 -4.94 120.64 119.62 1qtu n GLU 6 Ca 0.00 -2.28 -0.31 0.00 0.66 0.00 0.00 57.16 55.23 1qtu n GLU 6 Cb 0.00 -3.09 0.13 0.00 0.27 0.00 0.00 31.44 28.75 1qtu n GLU 6 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1qtu s ASP 7 N 3.60 3.71 0.00 4.31 2.15 -1.19 -4.17 116.67 125.09 1qtu s ASP 7 Ca 0.52 1.82 0.00 0.00 0.43 0.00 0.00 52.55 55.32 1qtu s ASP 7 Cb 0.14 -2.44 0.00 0.00 -0.30 0.00 0.00 42.92 40.32 1qtu s ASP 7 CO -0.03 -2.54 0.50 0.52 -0.17 0.00 0.00 175.17 173.46 1qtu n VAL 8 N -3.85 0.19 0.00 1.11 0.31 -1.26 -4.99 118.33 109.84 1qtu n VAL 8 Ca 0.09 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1qtu n VAL 8 Cb 0.53 1.10 0.00 0.00 -0.91 0.00 0.00 33.84 34.56 1qtu n VAL 8 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1qtu n GLY 9 N -0.10 1.01 3.52 2.92 0.00 -1.26 -4.68 105.19 106.60 1qtu n GLY 9 Ca 0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.85 1qtu n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qtu s ALA 10 N 0.00 -1.61 0.94 4.61 0.00 -1.26 -5.17 121.76 119.27 1qtu s ALA 10 Ca 0.00 1.54 -0.11 0.00 0.00 0.00 0.00 51.96 53.39 1qtu s ALA 10 Cb 0.00 -0.60 0.15 0.00 0.00 0.00 0.00 23.12 22.67 1qtu s ALA 10 CO 0.00 -0.33 1.09 -1.25 0.00 0.00 0.00 175.76 175.28 1qtu s PRO 11 N -0.33 0.91 -0.40 0.00 0.04 -1.26 -4.91 135.00 129.06 1qtu s PRO 11 Ca -0.05 1.03 -0.28 0.00 0.04 0.00 0.00 61.00 61.74 1qtu s PRO 11 Cb -0.03 -1.75 -0.03 0.00 0.04 0.00 0.00 34.50 32.73 1qtu s PRO 11 CO 0.04 -2.54 1.98 -1.25 0.04 0.00 0.00 177.00 175.27 1qtu s PRO 12 N -4.78 2.96 0.60 0.56 0.04 -1.26 -4.85 135.00 128.26 1qtu s PRO 12 Ca 0.65 1.36 0.33 0.00 0.04 0.00 0.00 61.00 63.38 1qtu s PRO 12 Cb -0.20 -4.33 1.90 0.00 0.04 0.00 0.00 34.50 31.91 1qtu s PRO 12 CO 0.58 -2.31 2.24 0.22 0.04 0.00 0.00 177.00 177.78 1qtu h ASP 13 N 14.75 0.00 -3.99 6.66 3.58 -1.95 -3.40 116.42 132.07 1qtu h ASP 13 Ca -0.32 0.00 -0.32 0.00 0.42 0.00 0.00 57.03 56.81 1qtu h ASP 13 Cb 1.19 0.00 -0.15 0.00 1.72 0.00 0.00 39.33 42.10 1qtu h ASP 13 CO 1.08 0.02 -0.71 -1.38 -2.88 0.00 0.00 179.24 175.37 1qtu s HIS 14 N -4.38 1.26 -0.07 0.28 -3.43 -1.26 -0.77 115.29 106.92 1qtu s HIS 14 Ca -0.04 -0.77 0.03 0.00 -0.80 0.00 0.00 55.06 53.47 1qtu s HIS 14 Cb 0.14 -0.65 0.01 0.00 -1.43 0.00 0.00 32.58 30.65 1qtu s HIS 14 CO 0.52 0.07 -0.13 -0.51 -2.00 0.00 0.00 174.74 172.68 1qtu s LEU 15 N -3.17 1.70 -0.22 5.38 1.43 -0.72 -4.15 118.68 118.93 1qtu s LEU 15 Ca 0.17 -0.32 -0.02 0.00 -1.03 0.00 0.00 54.13 52.93 1qtu s LEU 15 Cb 0.03 -0.87 0.01 0.00 0.03 0.00 0.00 46.19 45.38 1qtu s LEU 15 CO 0.01 0.05 -0.09 0.26 0.23 0.00 0.00 176.35 176.81 1qtu s TRP 16 N 0.59 2.95 0.26 0.29 0.51 -0.89 -0.94 118.94 121.72 1qtu s TRP 16 Ca -0.14 -1.31 -0.30 0.00 -2.12 0.00 0.00 56.10 52.23 1qtu s TRP 16 Cb -0.16 -2.05 -0.10 0.00 -0.81 0.00 0.00 33.47 30.36 1qtu s TRP 16 CO 0.04 -0.67 1.31 0.54 -0.51 0.00 0.00 176.95 177.66 1qtu s VAL 17 N 1.38 2.99 0.00 4.03 0.11 0.02 -0.34 120.40 128.59 1qtu s VAL 17 Ca 0.04 0.89 0.00 0.00 -2.93 0.00 0.00 61.98 59.98 1qtu s VAL 17 Cb -0.15 -3.57 0.00 0.00 -1.53 0.00 0.00 36.38 31.13 1qtu s VAL 17 CO -0.06 0.17 0.00 1.57 -3.33 0.00 0.00 175.10 173.45 1qtu n HIS 18 N 1.83 0.00 -4.23 1.54 -0.00 -0.26 -4.90 115.22 109.20 1qtu n HIS 18 Ca 0.03 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.62 1qtu n HIS 18 Cb 0.42 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.31 1qtu n HIS 18 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 1qtu s GLN 19 N -1.11 1.28 -0.54 1.57 -0.21 -0.28 -0.91 119.66 119.46 1qtu s GLN 19 Ca 0.00 -1.68 -0.26 0.00 0.02 0.00 0.00 55.36 53.43 1qtu s GLN 19 Cb 0.00 0.18 -0.05 0.00 1.00 0.00 0.00 33.01 34.14 1qtu s GLN 19 CO 0.00 -0.39 2.21 -1.21 -2.12 0.00 0.00 175.29 173.78 1qtu s GLU 20 N -4.08 2.28 -0.85 2.91 0.41 -1.26 -0.32 118.70 117.78 1qtu s GLU 20 Ca 0.39 1.09 0.00 0.00 -0.41 0.00 0.00 54.97 56.04 1qtu s GLU 20 Cb 0.07 -4.52 0.00 0.00 -1.78 0.00 0.00 34.13 27.90 1qtu s GLU 20 CO 0.13 -3.11 0.00 0.41 -0.49 0.00 0.00 175.26 172.21 1qtu n GLY 21 N 5.91 0.99 2.91 -1.39 0.00 -1.26 -5.00 105.19 107.36 1qtu n GLY 21 Ca 0.31 -0.68 -0.27 0.00 0.00 0.00 0.00 46.02 45.38 1qtu n GLY 21 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qtu s ILE 22 N -2.30 1.06 0.48 -0.61 1.01 0.56 -0.17 121.20 121.23 1qtu s ILE 22 Ca 0.00 -0.36 0.01 0.00 0.00 0.00 0.00 60.65 60.29 1qtu s ILE 22 Cb 0.00 -1.11 0.01 0.00 0.01 0.00 0.00 42.46 41.37 1qtu s ILE 22 CO 0.00 0.33 0.70 -0.31 0.00 0.00 0.00 174.94 175.66 1qtu s TYR 23 N 1.69 3.12 0.04 3.97 1.51 0.12 -1.10 117.35 126.69 1qtu s TYR 23 Ca 0.04 0.16 0.06 0.00 -1.01 0.00 0.00 57.07 56.33 1qtu s TYR 23 Cb -0.13 -2.44 -0.02 0.00 -0.11 0.00 0.00 41.96 39.25 1qtu s TYR 23 CO -0.08 -0.51 -0.17 0.50 -1.11 0.00 0.00 175.55 174.17 1qtu s ARG 24 N -4.62 1.17 0.77 -0.62 3.52 0.53 -0.01 118.95 119.69 1qtu s ARG 24 Ca 0.51 -0.85 -0.12 0.00 -0.13 0.00 0.00 55.73 55.14 1qtu s ARG 24 Cb -0.10 -1.23 0.05 0.00 -1.56 0.00 0.00 34.95 32.11 1qtu s ARG 24 CO 0.38 0.31 1.13 0.34 -0.81 0.00 0.00 175.30 176.66 1qtu s ASP 25 N -1.15 4.87 0.45 -2.12 -1.08 0.37 -2.09 116.67 115.93 1qtu s ASP 25 Ca 0.05 0.99 0.20 0.00 -0.52 0.00 0.00 52.55 53.27 1qtu s ASP 25 Cb -0.08 -1.65 1.09 0.00 -1.46 0.00 0.00 42.92 40.82 1qtu s ASP 25 CO 0.02 -1.69 1.95 1.05 0.52 0.00 0.00 175.17 177.01 1qtu h GLU 26 N -0.90 0.00 -0.02 4.34 4.11 -1.89 -2.61 114.58 117.61 1qtu h GLU 26 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 1qtu h GLU 26 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1qtu h GLU 26 CO 0.64 0.22 0.00 0.66 0.07 0.00 0.00 179.01 180.60 1qtu n TYR 27 N -3.85 0.02 -2.05 2.06 4.01 -1.26 -4.89 117.16 111.20 1qtu n TYR 27 Ca -0.02 -0.01 -0.11 0.00 -0.16 0.00 0.00 57.90 57.61 1qtu n TYR 27 Cb 0.32 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.33 1qtu n TYR 27 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1qtu n GLN 28 N -0.67 -0.83 -4.26 -0.72 6.02 -0.98 -5.03 117.38 110.91 1qtu n GLN 28 Ca 0.15 0.58 -0.29 0.00 -0.01 0.00 0.00 57.00 57.42 1qtu n GLN 28 Cb 0.10 -4.64 -0.10 0.00 1.02 0.00 0.00 30.24 26.61 1qtu n GLN 28 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1qtu s ARG 29 N -4.25 1.98 0.15 -1.09 0.52 -1.26 -4.89 118.95 110.11 1qtu s ARG 29 Ca 0.00 -1.12 -0.12 0.00 -0.52 0.00 0.00 55.73 53.97 1qtu s ARG 29 Cb 0.00 -2.21 -0.07 0.00 0.52 0.00 0.00 34.95 33.20 1qtu s ARG 29 CO 0.00 0.49 0.51 0.95 0.02 0.00 0.00 175.30 177.27 1qtu s THR 30 N -1.26 4.93 -0.22 0.02 -4.23 -1.26 -0.48 115.64 113.15 1qtu s THR 30 Ca 0.20 0.65 -0.02 0.00 -1.18 0.00 0.00 61.69 61.34 1qtu s THR 30 Cb -0.11 -3.69 0.07 0.00 1.34 0.00 0.00 72.50 70.12 1qtu s THR 30 CO 0.13 0.17 0.03 0.26 -0.54 0.00 0.00 174.62 174.67 1qtu s TRP 31 N -1.54 1.34 -0.34 3.99 0.52 0.98 -1.27 118.94 122.63 1qtu s TRP 31 Ca 0.39 -1.15 -0.29 0.00 0.02 0.00 0.00 56.10 55.08 1qtu s TRP 31 Cb -0.14 -1.22 0.02 0.00 -1.15 0.00 0.00 33.47 30.97 1qtu s TRP 31 CO 0.20 -0.68 1.12 0.08 0.02 0.00 0.00 176.95 177.68 1qtu s VAL 32 N 1.75 4.41 -0.18 4.03 1.01 0.11 0.12 120.40 131.65 1qtu s VAL 32 Ca 0.00 1.61 -0.17 0.00 0.00 0.00 0.00 61.98 63.42 1qtu s VAL 32 Cb -0.17 -4.40 -0.04 0.00 0.00 0.00 0.00 36.38 31.77 1qtu s VAL 32 CO -0.11 -0.55 0.44 0.00 0.00 0.00 0.00 175.10 174.89 1qtu s ALA 33 N 3.86 3.54 0.43 5.51 0.00 0.76 -0.27 121.76 135.60 1qtu s ALA 33 Ca 0.47 -0.43 0.06 0.00 0.00 0.00 0.00 51.96 52.06 1qtu s ALA 33 Cb -0.12 -2.68 -0.06 0.00 0.00 0.00 0.00 23.12 20.26 1qtu s ALA 33 CO 0.19 -0.27 0.01 0.14 0.00 0.00 0.00 175.76 175.82 1qtu s VAL 34 N 1.25 1.79 0.06 0.00 -7.23 0.19 -4.77 120.40 111.69 1qtu s VAL 34 Ca 0.21 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.42 1qtu s VAL 34 Cb -0.15 -2.80 -0.03 0.00 0.56 0.00 0.00 36.38 33.96 1qtu s VAL 34 CO 0.09 0.00 -0.11 0.54 -0.31 0.00 0.00 175.10 175.30 1qtu s VAL 35 N -2.76 0.87 0.24 1.32 0.11 -1.26 -0.06 120.40 118.86 1qtu s VAL 35 Ca 0.28 -1.27 0.01 0.00 -2.93 0.00 0.00 61.98 58.07 1qtu s VAL 35 Cb 0.08 -0.94 -0.04 0.00 -1.53 0.00 0.00 36.38 33.95 1qtu s VAL 35 CO 0.14 -0.33 0.16 -1.83 -3.33 0.00 0.00 175.10 169.91 1qtu s GLU 36 N -1.84 1.38 0.21 1.54 1.03 0.37 -4.92 118.70 116.48 1qtu s GLU 36 Ca -0.04 -1.75 0.10 0.00 0.03 0.00 0.00 54.97 53.31 1qtu s GLU 36 Cb -0.09 0.17 -0.05 0.00 -0.80 0.00 0.00 34.13 33.36 1qtu s GLU 36 CO 0.01 -0.43 -0.20 -1.21 -1.33 0.00 0.00 175.26 172.10 1qtu s GLU 37 N -3.97 1.48 0.28 -4.83 8.01 -1.26 -0.08 118.70 118.32 1qtu s GLU 37 Ca 0.39 -1.57 0.02 0.00 0.01 0.00 0.00 54.97 53.82 1qtu s GLU 37 Cb 0.06 -1.61 -0.04 0.00 -4.31 0.00 0.00 34.13 28.23 1qtu s GLU 37 CO 0.16 0.32 0.15 -1.21 0.01 0.00 0.00 175.26 174.69 1qtu s GLU 38 N -3.04 1.52 0.10 1.61 2.02 -0.19 -4.93 118.70 115.79 1qtu s GLU 38 Ca 0.22 -1.85 0.08 0.00 0.02 0.00 0.00 54.97 53.44 1qtu s GLU 38 Cb -0.06 -0.07 0.42 0.00 0.10 0.00 0.00 34.13 34.53 1qtu s GLU 38 CO 0.10 -0.42 1.25 2.41 0.02 0.00 0.00 175.26 178.62 1qtu n THR 39 N -0.52 1.61 -2.14 3.63 -1.04 -1.26 -1.33 114.28 113.23 1qtu n THR 39 Ca 0.01 0.55 -0.02 0.00 -2.04 0.00 0.00 64.05 62.55 1qtu n THR 39 Cb 0.65 -1.53 -0.03 0.00 -1.82 0.00 0.00 70.33 67.60 1qtu n THR 39 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1qtu n SER 40 N -1.75 -0.22 -4.00 8.00 7.64 -1.26 -5.15 113.62 116.88 1qtu n SER 40 Ca -0.00 -1.86 -0.08 0.00 1.01 0.00 0.00 58.87 57.93 1qtu n SER 40 Cb 0.03 0.05 -0.09 0.00 -1.01 0.00 0.00 64.21 63.19 1qtu n SER 40 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1qtu s PHE 41 N 0.00 0.43 -0.01 1.43 0.08 -0.44 -3.77 117.98 115.69 1qtu s PHE 41 Ca 0.10 -0.88 0.07 0.00 0.12 0.00 0.00 56.93 56.34 1qtu s PHE 41 Cb 0.11 -0.24 -0.02 0.00 -0.57 0.00 0.00 43.02 42.30 1qtu s PHE 41 CO -0.05 -0.50 -0.24 -0.48 -0.10 0.00 0.00 175.22 173.85 1qtu s LEU 42 N -2.92 2.07 -0.21 -0.37 0.05 -1.24 -1.02 118.68 115.04 1qtu s LEU 42 Ca 0.10 -0.45 0.00 0.00 0.05 0.00 0.00 54.13 53.83 1qtu s LEU 42 Cb 0.06 -1.20 0.05 0.00 -2.05 0.00 0.00 46.19 43.05 1qtu s LEU 42 CO -0.07 0.28 -0.05 -0.60 -0.55 0.00 0.00 176.35 175.35 1qtu s ARG 43 N -0.68 1.53 -0.09 1.48 3.52 0.88 -0.42 118.95 125.17 1qtu s ARG 43 Ca 0.09 -0.78 -0.27 0.00 -0.13 0.00 0.00 55.73 54.65 1qtu s ARG 43 Cb -0.09 -2.35 -0.02 0.00 -1.56 0.00 0.00 34.95 30.92 1qtu s ARG 43 CO -0.00 -0.53 0.87 0.00 -0.81 0.00 0.00 175.30 174.82 1qtu s ALA 44 N 1.51 3.37 -0.44 6.12 0.00 0.12 -0.48 121.76 131.96 1qtu s ALA 44 Ca -0.03 0.24 -0.18 0.00 0.00 0.00 0.00 51.96 51.99 1qtu s ALA 44 Cb -0.17 -3.23 0.03 0.00 0.00 0.00 0.00 23.12 19.75 1qtu s ALA 44 CO -0.07 -0.41 0.49 0.50 0.00 0.00 0.00 175.76 176.27 1qtu s ARG 45 N 1.53 3.11 -0.13 0.00 3.52 0.91 -0.46 118.95 127.44 1qtu s ARG 45 Ca 0.43 -0.78 -0.13 0.00 -0.13 0.00 0.00 55.73 55.13 1qtu s ARG 45 Cb -0.18 -4.00 -0.05 0.00 -1.56 0.00 0.00 34.95 29.16 1qtu s ARG 45 CO 0.18 -0.94 0.28 0.08 -0.81 0.00 0.00 175.30 174.09 1qtu s VAL 46 N 2.26 5.29 -0.07 7.11 1.01 0.59 -0.63 120.40 135.97 1qtu s VAL 46 Ca 0.13 0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.64 1qtu s VAL 46 Cb -0.18 -3.60 0.02 0.00 0.00 0.00 0.00 36.38 32.63 1qtu s VAL 46 CO 0.13 0.47 -0.04 -1.58 0.00 0.00 0.00 175.10 174.08 1qtu s GLN 47 N -0.08 0.91 -0.33 2.72 0.74 0.63 -0.03 119.66 124.23 1qtu s GLN 47 Ca 0.17 -0.07 -0.27 0.00 0.05 0.00 0.00 55.36 55.24 1qtu s GLN 47 Cb -0.13 -1.03 0.01 0.00 1.10 0.00 0.00 33.01 32.96 1qtu s GLN 47 CO 0.05 -0.18 0.99 -1.14 -0.55 0.00 0.00 175.29 174.46 1qtu s GLN 48 N 1.40 4.00 -0.14 1.67 -0.44 0.98 0.10 119.66 127.23 1qtu s GLN 48 Ca -0.03 0.88 -0.13 0.00 -2.50 0.00 0.00 55.36 53.57 1qtu s GLN 48 Cb -0.13 -3.75 0.04 0.00 -1.64 0.00 0.00 33.01 27.53 1qtu s GLN 48 CO -0.03 -0.87 0.38 0.96 0.50 0.00 0.00 175.29 176.23 1qtu s ILE 49 N 3.48 -0.00 -0.30 -2.34 -4.36 -0.40 -3.86 121.20 113.42 1qtu s ILE 49 Ca 0.41 0.00 -0.29 0.00 -0.26 0.00 0.00 60.65 60.52 1qtu s ILE 49 Cb -0.12 -0.53 -0.01 0.00 1.25 0.00 0.00 42.46 43.05 1qtu s ILE 49 CO 0.15 0.00 1.51 -1.10 0.24 0.00 0.00 174.94 175.74 1qtu s GLN 50 N 0.22 3.73 0.08 0.37 1.11 -1.26 -4.23 119.66 119.68 1qtu s GLN 50 Ca -0.00 1.37 0.06 0.00 0.01 0.00 0.00 55.36 56.79 1qtu s GLN 50 Cb -0.03 -4.01 -0.03 0.00 -1.01 0.00 0.00 33.01 27.93 1qtu s GLN 50 CO 0.00 -1.37 -0.15 0.14 0.01 0.00 0.00 175.29 173.92 1qtu s VAL 51 N 5.21 1.21 -0.09 1.09 -7.23 -1.26 -5.06 120.40 114.26 1qtu s VAL 51 Ca 0.66 -1.36 -0.30 0.00 -1.81 0.00 0.00 61.98 59.18 1qtu s VAL 51 Cb -0.20 -1.16 -0.04 0.00 0.56 0.00 0.00 36.38 35.54 1qtu s VAL 51 CO 0.29 -0.21 1.56 -2.16 -0.31 0.00 0.00 175.10 174.26 1qtu s PRO 52 N -1.80 4.17 0.58 4.82 0.04 -1.26 -4.83 135.00 136.72 1qtu s PRO 52 Ca -0.00 2.03 -0.20 0.00 0.04 0.00 0.00 61.00 62.87 1qtu s PRO 52 Cb -0.10 -3.93 -0.05 0.00 0.04 0.00 0.00 34.50 30.46 1qtu s PRO 52 CO 0.03 -0.84 1.07 1.28 0.04 0.00 0.00 177.00 178.58 1qtu n LEU 53 N 7.08 4.13 0.00 -3.56 7.99 -1.26 -4.98 117.00 126.40 1qtu n LEU 53 Ca 0.16 0.86 0.00 0.00 -0.01 0.00 0.00 56.01 57.03 1qtu n LEU 53 Cb 0.43 -1.43 0.00 0.00 -0.11 0.00 0.00 43.42 42.31 1qtu n LEU 53 CO 0.61 -1.51 0.00 0.61 -1.51 0.00 0.00 177.39 175.58 1qtu n GLY 54 N 1.15 -0.72 3.64 -0.72 0.00 -1.26 -5.14 105.19 102.14 1qtu n GLY 54 Ca 0.13 0.70 -0.42 0.00 0.00 0.00 0.00 46.02 46.42 1qtu n GLY 54 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1qtu s ASP 55 N 0.00 6.15 -0.25 1.61 -1.08 -1.26 -4.79 116.67 117.05 1qtu s ASP 55 Ca 0.00 2.37 0.11 0.00 -0.52 0.00 0.00 52.55 54.51 1qtu s ASP 55 Cb 0.00 -2.52 0.74 0.00 -1.46 0.00 0.00 42.92 39.67 1qtu s ASP 55 CO 0.00 -1.34 1.69 0.00 0.52 0.00 0.00 175.17 176.04 1qtu n ALA 56 N 8.85 4.05 -0.11 3.66 0.00 -0.09 -4.95 120.51 131.92 1qtu n ALA 56 Ca 0.23 -1.91 0.00 0.00 0.00 0.00 0.00 53.44 51.75 1qtu n ALA 56 Cb 0.43 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.71 1qtu n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qtu n ALA 57 N 0.31 0.00 -2.98 0.00 0.00 -1.26 -4.39 120.51 112.19 1qtu n ALA 57 Ca 0.30 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.63 1qtu n ALA 57 Cb 1.20 -0.59 0.05 0.00 0.00 0.00 0.00 19.45 20.11 1qtu n ALA 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1qtu n ARG 58 N -1.92 -4.31 -0.07 0.00 1.74 -1.26 -4.98 116.66 105.86 1qtu n ARG 58 Ca 0.00 0.50 -0.13 0.00 -0.77 0.00 0.00 57.85 57.46 1qtu n ARG 58 Cb 0.00 -4.52 -0.06 0.00 -1.02 0.00 0.00 32.46 26.86 1qtu n ARG 58 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1qtu h PRO 59 N -1.34 0.43 -0.72 5.56 0.13 -2.00 -2.18 132.00 131.87 1qtu h PRO 59 Ca -0.35 -0.20 0.10 0.00 -0.87 0.00 0.00 66.00 64.68 1qtu h PRO 59 Cb 1.21 -0.01 -0.12 0.00 0.13 0.00 0.00 31.00 32.22 1qtu h PRO 59 CO 0.31 0.74 -0.45 0.66 -0.23 0.00 0.00 178.00 179.04 1qtu h SER 60 N 0.11 -1.58 1.14 1.44 4.64 -1.93 -0.65 113.55 116.71 1qtu h SER 60 Ca 0.04 0.27 -0.18 0.00 -0.47 0.00 0.00 61.79 61.45 1qtu h SER 60 Cb 0.63 0.74 -0.03 0.00 -0.31 0.00 0.00 62.40 63.43 1qtu h SER 60 CO 0.03 -0.31 -0.84 0.45 -0.87 0.00 0.00 176.83 175.29 1qtu h HIS 61 N -0.15 0.00 0.47 4.77 3.86 -1.89 0.54 115.15 122.75 1qtu h HIS 61 Ca 0.21 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.40 1qtu h HIS 61 Cb 0.55 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.02 1qtu h HIS 61 CO -0.79 0.84 -0.23 1.25 0.86 0.00 0.00 177.93 179.86 1qtu h LEU 62 N 0.00 -0.54 -0.25 2.43 6.46 -1.33 -0.31 115.31 121.78 1qtu h LEU 62 Ca -0.01 -0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 57.67 1qtu h LEU 62 Cb 1.63 0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 41.69 1qtu h LEU 62 CO 0.11 -0.23 0.12 0.25 -0.62 0.00 0.00 178.44 178.06 1qtu h LEU 63 N -0.85 0.33 0.00 2.25 5.85 -0.84 -3.07 115.31 118.98 1qtu h LEU 63 Ca -0.06 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.52 1qtu h LEU 63 Cb 0.58 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.52 1qtu h LEU 63 CO 0.11 0.37 0.00 0.35 -0.34 0.00 0.00 178.44 178.93 1qtu n THR 64 N -4.81 0.00 -2.12 1.05 -2.24 0.16 -4.90 114.28 101.41 1qtu n THR 64 Ca -0.03 1.13 -0.06 0.00 -2.27 0.00 0.00 64.05 62.82 1qtu n THR 64 Cb 0.11 -2.06 -0.01 0.00 -2.10 0.00 0.00 70.33 66.26 1qtu n THR 64 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1qtu n SER 65 N -1.61 -2.12 0.00 3.42 3.41 -0.12 -4.83 113.62 111.76 1qtu n SER 65 Ca 0.00 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.91 1qtu n SER 65 Cb 0.00 -1.97 0.00 0.00 -0.26 0.00 0.00 64.21 61.98 1qtu n SER 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qtu n GLN 66 N -2.30 0.00 -2.31 4.33 3.00 -1.26 -4.75 117.38 114.10 1qtu n GLN 66 Ca -0.06 0.37 -0.38 0.00 -0.01 0.00 0.00 57.00 56.92 1qtu n GLN 66 Cb 0.45 -1.23 -0.02 0.00 0.00 0.00 0.00 30.24 29.45 1qtu n GLN 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1qtu s LEU 67 N -3.22 4.18 0.76 1.08 1.02 -1.26 -5.01 118.68 116.21 1qtu s LEU 67 Ca 0.00 2.33 -0.04 0.00 0.02 0.00 0.00 54.13 56.44 1qtu s LEU 67 Cb 0.00 -4.05 0.13 0.00 0.02 0.00 0.00 46.19 42.30 1qtu s LEU 67 CO 0.00 -0.68 1.05 -2.16 0.02 0.00 0.00 176.35 174.57 1qtu s PRO 68 N -2.33 1.55 0.09 1.29 0.04 -1.26 -4.94 135.00 129.44 1qtu s PRO 68 Ca 0.57 -0.93 -0.17 0.00 0.04 0.00 0.00 61.00 60.52 1qtu s PRO 68 Cb -0.30 -2.24 -0.08 0.00 0.04 0.00 0.00 34.50 31.92 1qtu s PRO 68 CO 0.38 -1.58 1.46 1.25 0.04 0.00 0.00 177.00 178.54 1qtu h LEU 69 N -0.71 0.59 -7.78 -3.56 7.12 -1.95 -3.43 115.31 105.59 1qtu h LEU 69 Ca -0.38 -0.40 -0.18 0.00 0.13 0.00 0.00 57.88 57.04 1qtu h LEU 69 Cb 1.26 -0.16 -0.24 0.00 -0.53 0.00 0.00 40.66 40.99 1qtu h LEU 69 CO 0.41 0.86 -0.63 -0.32 -0.13 0.00 0.00 178.44 178.63 1qtu s MET 70 N -4.63 0.24 0.13 1.25 1.75 -1.26 -0.80 119.30 115.98 1qtu s MET 70 Ca -0.13 -0.24 0.07 0.00 -1.25 0.00 0.00 55.69 54.14 1qtu s MET 70 Cb 0.08 0.10 -0.04 0.00 2.84 0.00 0.00 34.83 37.81 1qtu s MET 70 CO 0.79 -0.04 -0.03 -1.58 -0.65 0.00 0.00 175.02 173.50 1qtu s TRP 71 N -0.75 2.85 -0.05 4.11 0.51 -0.11 -1.28 118.94 124.22 1qtu s TRP 71 Ca -0.08 -0.11 -0.02 0.00 -2.12 0.00 0.00 56.10 53.76 1qtu s TRP 71 Cb -0.05 -1.43 0.03 0.00 -0.81 0.00 0.00 33.47 31.21 1qtu s TRP 71 CO 0.00 0.48 0.07 -1.14 -0.51 0.00 0.00 176.95 175.86 1qtu s GLN 72 N -2.59 -0.06 0.49 4.98 2.00 0.85 -1.75 119.66 123.59 1qtu s GLN 72 Ca 0.25 0.36 -0.23 0.00 -2.00 0.00 0.00 55.36 53.74 1qtu s GLN 72 Cb -0.10 -0.59 -0.07 0.00 0.80 0.00 0.00 33.01 33.05 1qtu s GLN 72 CO 0.17 -0.36 1.35 -1.17 -0.50 0.00 0.00 175.29 174.78 1qtu s LEU 73 N 2.18 3.99 0.02 3.68 2.96 0.05 -0.04 118.68 131.52 1qtu s LEU 73 Ca 0.05 2.74 -0.02 0.00 -0.22 0.00 0.00 54.13 56.67 1qtu s LEU 73 Cb -0.12 -4.13 -0.02 0.00 0.50 0.00 0.00 46.19 42.42 1qtu s LEU 73 CO -0.04 -1.29 0.02 -0.47 -1.32 0.00 0.00 176.35 173.25 1qtu s TYR 74 N -1.30 0.23 1.01 5.38 5.04 0.75 -4.73 117.35 123.73 1qtu s TYR 74 Ca 0.66 -0.50 -0.14 0.00 -2.44 0.00 0.00 57.07 54.65 1qtu s TYR 74 Cb -0.40 -0.17 0.07 0.00 0.35 0.00 0.00 41.96 41.81 1qtu s TYR 74 CO 0.49 -0.25 0.35 -2.30 -1.34 0.00 0.00 175.55 172.50 1qtu n PRO 75 N 1.32 -0.77 -1.27 4.97 -0.02 -1.26 -1.70 135.00 136.27 1qtu n PRO 75 Ca -0.22 -0.19 -0.09 0.00 -2.02 0.00 0.00 63.50 60.98 1qtu n PRO 75 Cb 0.56 -1.85 -0.04 0.00 -0.02 0.00 0.00 33.50 32.15 1qtu n PRO 75 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1qtu n GLU 76 N -2.06 -1.35 -3.16 -0.52 2.13 -1.26 -3.00 120.64 111.42 1qtu n GLU 76 Ca 0.05 0.78 -0.06 0.00 0.66 0.00 0.00 57.16 58.59 1qtu n GLU 76 Cb 0.56 -4.98 0.00 0.00 0.27 0.00 0.00 31.44 27.29 1qtu n GLU 76 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1qtu n GLU 77 N -1.33 -1.53 -4.51 5.31 1.02 -1.20 -4.90 120.64 113.50 1qtu n GLU 77 Ca -0.09 1.48 -0.26 0.00 -0.02 0.00 0.00 57.16 58.26 1qtu n GLU 77 Cb 0.48 -5.09 -0.08 0.00 -0.02 0.00 0.00 31.44 26.74 1qtu n GLU 77 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1qtu s ARG 78 N -3.23 1.99 -0.10 3.49 0.52 -0.69 -1.79 118.95 119.14 1qtu s ARG 78 Ca 0.05 -2.23 -0.01 0.00 -0.52 0.00 0.00 55.73 53.02 1qtu s ARG 78 Cb -0.01 -0.47 0.03 0.00 0.52 0.00 0.00 34.95 35.02 1qtu s ARG 78 CO 0.78 -0.56 -0.03 0.71 0.02 0.00 0.00 175.30 176.22 1qtu s TYR 79 N -3.18 1.08 0.76 -0.53 1.51 0.14 -0.18 117.35 116.95 1qtu s TYR 79 Ca 0.23 -0.51 -0.11 0.00 -1.01 0.00 0.00 57.07 55.68 1qtu s TYR 79 Cb 0.01 -1.02 0.05 0.00 -0.11 0.00 0.00 41.96 40.89 1qtu s TYR 79 CO 0.16 -0.44 1.09 1.41 -1.11 0.00 0.00 175.55 176.66 1qtu s MET 80 N 1.84 2.35 0.35 -0.62 -2.45 0.95 0.01 119.30 121.73 1qtu s MET 80 Ca 0.04 1.16 0.08 0.00 -1.25 0.00 0.00 55.69 55.73 1qtu s MET 80 Cb -0.13 -1.91 -0.07 0.00 1.25 0.00 0.00 34.83 33.98 1qtu s MET 80 CO -0.07 -1.57 -0.07 0.16 1.05 0.00 0.00 175.02 174.52 1qtu s ASP 81 N -3.39 3.59 0.45 1.11 1.47 0.51 -0.10 116.67 120.31 1qtu s ASP 81 Ca 0.61 -1.24 0.31 0.00 1.18 0.00 0.00 52.55 53.41 1qtu s ASP 81 Cb -0.17 -0.33 1.52 0.00 -0.34 0.00 0.00 42.92 43.60 1qtu s ASP 81 CO 0.55 -0.28 1.93 -0.55 0.68 0.00 0.00 175.17 177.50 1qtu h ASN 82 N 2.01 0.00 -0.22 2.11 -1.07 -1.50 -0.40 115.58 116.51 1qtu h ASN 82 Ca -0.42 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.95 1qtu h ASN 82 Cb 1.25 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.50 1qtu h ASN 82 CO 0.72 0.00 0.00 -3.20 0.07 0.00 0.00 177.43 175.02 1qtu n ASN 83 N -2.63 1.59 -3.33 6.14 5.15 -1.26 -4.94 115.26 115.98 1qtu n ASN 83 Ca -0.01 -1.81 -0.24 0.00 -0.60 0.00 0.00 54.58 51.92 1qtu n ASN 83 Cb 0.13 -0.15 0.05 0.00 -0.53 0.00 0.00 39.78 39.29 1qtu n ASN 83 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1qtu n SER 84 N 0.31 -5.91 -4.75 1.20 7.64 -0.16 -5.03 113.62 106.92 1qtu n SER 84 Ca 0.14 -0.43 -0.29 0.00 1.01 0.00 0.00 58.87 59.30 1qtu n SER 84 Cb 0.29 -4.73 -0.07 0.00 -1.01 0.00 0.00 64.21 58.69 1qtu n SER 84 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1qtu s ARG 85 N -6.03 2.16 -0.04 1.43 0.52 -1.26 -4.95 118.95 110.78 1qtu s ARG 85 Ca 0.44 -2.13 -0.00 0.00 -0.52 0.00 0.00 55.73 53.52 1qtu s ARG 85 Cb -0.20 -1.76 0.03 0.00 0.52 0.00 0.00 34.95 33.53 1qtu s ARG 85 CO 0.55 -0.27 0.01 -1.17 0.02 0.00 0.00 175.30 174.44 1qtu s LEU 86 N -3.91 0.95 -0.28 2.53 0.20 -1.26 -0.36 118.68 116.54 1qtu s LEU 86 Ca 0.26 -0.02 -0.04 0.00 0.69 0.00 0.00 54.13 55.01 1qtu s LEU 86 Cb 0.03 -0.25 0.03 0.00 -0.43 0.00 0.00 46.19 45.57 1qtu s LEU 86 CO 0.14 -0.13 0.01 0.26 -0.29 0.00 0.00 176.35 176.34 1qtu s TRP 87 N 1.31 3.15 0.16 5.38 0.52 0.10 -1.12 118.94 128.44 1qtu s TRP 87 Ca -0.06 -1.41 -0.30 0.00 0.02 0.00 0.00 56.10 54.36 1qtu s TRP 87 Cb -0.13 -2.15 -0.07 0.00 -1.15 0.00 0.00 33.47 29.96 1qtu s TRP 87 CO -0.02 -0.69 0.98 -1.14 0.02 0.00 0.00 176.95 176.10 1qtu s GLN 88 N 1.38 4.72 0.23 4.98 0.74 0.86 0.26 119.66 132.82 1qtu s GLN 88 Ca -0.00 1.52 -0.30 0.00 0.05 0.00 0.00 55.36 56.63 1qtu s GLN 88 Cb -0.18 -3.33 -0.09 0.00 1.10 0.00 0.00 33.01 30.51 1qtu s GLN 88 CO -0.01 0.27 1.34 0.42 -0.55 0.00 0.00 175.29 176.76 1qtu s ILE 89 N -0.39 3.02 -0.06 -2.34 1.01 -0.74 0.09 121.20 121.79 1qtu s ILE 89 Ca 0.46 0.87 0.10 0.00 0.00 0.00 0.00 60.65 62.07 1qtu s ILE 89 Cb -0.25 -3.56 -0.14 0.00 0.01 0.00 0.00 42.46 38.52 1qtu s ILE 89 CO 0.32 0.14 0.13 0.00 0.00 0.00 0.00 174.94 175.53 1qtu n GLN 90 N 2.32 1.40 -3.55 2.79 1.13 0.13 -4.92 117.38 116.68 1qtu n GLN 90 Ca 0.05 -0.05 -0.12 0.00 -1.94 0.00 0.00 57.00 54.94 1qtu n GLN 90 Cb 0.42 -1.25 -0.05 0.00 0.11 0.00 0.00 30.24 29.47 1qtu n GLN 90 CO 0.00 0.00 0.00 -3.38 -1.44 0.00 0.00 177.06 172.24 1qtu s HIS 91 N -2.48 -0.44 -0.12 1.08 -3.43 -1.19 -4.90 115.29 103.82 1qtu s HIS 91 Ca -0.04 0.68 0.03 0.00 -0.80 0.00 0.00 55.06 54.93 1qtu s HIS 91 Cb 0.05 0.46 -0.00 0.00 -1.43 0.00 0.00 32.58 31.65 1qtu s HIS 91 CO 0.42 -0.44 -0.21 -1.58 -2.00 0.00 0.00 174.74 170.92 1qtu s HIS 92 N -1.47 2.64 0.36 0.38 2.46 -1.26 -0.14 115.29 118.25 1qtu s HIS 92 Ca -0.03 -1.06 -0.07 0.00 0.47 0.00 0.00 55.06 54.37 1qtu s HIS 92 Cb -0.00 -1.77 0.02 0.00 -0.13 0.00 0.00 32.58 30.70 1qtu s HIS 92 CO 0.02 -0.44 0.59 -0.48 -2.47 0.00 0.00 174.74 171.96 1qtu s LEU 93 N 0.48 0.64 -0.03 8.88 0.05 0.14 -2.13 118.68 126.72 1qtu s LEU 93 Ca -0.14 -1.35 -0.07 0.00 0.05 0.00 0.00 54.13 52.62 1qtu s LEU 93 Cb -0.17 1.97 0.01 0.00 -2.05 0.00 0.00 46.19 45.95 1qtu s LEU 93 CO 0.06 -1.43 0.15 -0.32 -0.55 0.00 0.00 176.35 174.25 1qtu s MET 94 N -2.82 0.36 -0.12 1.48 1.75 -1.26 -0.50 119.30 118.20 1qtu s MET 94 Ca 0.25 -0.13 -0.04 0.00 -1.25 0.00 0.00 55.69 54.52 1qtu s MET 94 Cb -0.02 0.15 0.06 0.00 2.84 0.00 0.00 34.83 37.86 1qtu s MET 94 CO 0.17 -0.08 0.14 0.08 -0.65 0.00 0.00 175.02 174.68 1qtu s VAL 95 N -0.75 -0.21 -0.79 10.11 1.01 0.28 -4.79 120.40 125.27 1qtu s VAL 95 Ca -0.08 0.17 -0.01 0.00 0.00 0.00 0.00 61.98 62.06 1qtu s VAL 95 Cb -0.05 -0.40 0.01 0.00 0.00 0.00 0.00 36.38 35.93 1qtu s VAL 95 CO 0.01 -0.01 0.03 0.54 0.00 0.00 0.00 175.10 175.68 1qtu n ARG 96 N 5.31 -2.50 -0.06 2.72 5.12 -1.26 -0.66 116.66 125.34 1qtu n ARG 96 Ca -0.05 0.43 0.00 0.00 -1.93 0.00 0.00 57.85 56.30 1qtu n ARG 96 Cb 0.50 -5.01 0.00 0.00 -1.16 0.00 0.00 32.46 26.79 1qtu n ARG 96 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1qtu n GLY 97 N -0.75 1.28 3.59 -0.13 0.00 -1.26 -5.02 105.19 102.91 1qtu n GLY 97 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 1qtu n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qtu s VAL 98 N -2.52 3.96 0.41 1.61 1.01 0.17 -4.98 120.40 120.07 1qtu s VAL 98 Ca 0.00 0.90 -0.24 0.00 0.00 0.00 0.00 61.98 62.64 1qtu s VAL 98 Cb 0.00 -4.52 -0.08 0.00 0.00 0.00 0.00 36.38 31.78 1qtu s VAL 98 CO 0.00 -1.11 1.12 -1.10 0.00 0.00 0.00 175.10 174.01 1qtu s GLN 99 N 5.02 4.03 0.06 2.72 -0.21 -1.25 -0.55 119.66 129.48 1qtu s GLN 99 Ca 0.50 1.70 0.04 0.00 0.02 0.00 0.00 55.36 57.62 1qtu s GLN 99 Cb -0.09 -2.56 -0.03 0.00 1.00 0.00 0.00 33.01 31.32 1qtu s GLN 99 CO 0.28 -0.30 -0.12 -2.00 -2.12 0.00 0.00 175.29 171.03 1qtu s GLU 100 N -2.46 0.72 -0.21 2.91 2.12 0.35 -0.01 118.70 122.11 1qtu s GLU 100 Ca 0.59 -0.89 -0.04 0.00 0.36 0.00 0.00 54.97 55.00 1qtu s GLU 100 Cb -0.27 -0.64 0.11 0.00 0.26 0.00 0.00 34.13 33.59 1qtu s GLU 100 CO 0.33 0.14 0.29 -1.17 -0.54 0.00 0.00 175.26 174.31 1qtu s LEU 101 N -1.68 -0.34 -0.22 2.70 2.96 0.95 -0.68 118.68 122.38 1qtu s LEU 101 Ca -0.05 0.03 -0.18 0.00 -0.22 0.00 0.00 54.13 53.71 1qtu s LEU 101 Cb -0.10 0.71 -0.03 0.00 0.50 0.00 0.00 46.19 47.27 1qtu s LEU 101 CO 0.02 -0.31 0.51 -0.76 -1.32 0.00 0.00 176.35 174.49 1qtu s LEU 102 N 2.42 4.11 -0.14 -0.68 1.43 0.81 -0.30 118.68 126.34 1qtu s LEU 102 Ca 0.09 0.61 0.02 0.00 -1.03 0.00 0.00 54.13 53.82 1qtu s LEU 102 Cb -0.15 -2.68 0.01 0.00 0.03 0.00 0.00 46.19 43.39 1qtu s LEU 102 CO -0.13 -0.21 -0.21 -0.76 0.23 0.00 0.00 176.35 175.26 1qtu s LEU 103 N 1.86 2.06 -0.32 1.79 1.43 0.39 -0.69 118.68 125.20 1qtu s LEU 103 Ca 0.23 -0.58 0.02 0.00 -1.03 0.00 0.00 54.13 52.77 1qtu s LEU 103 Cb -0.15 -1.40 0.10 0.00 0.03 0.00 0.00 46.19 44.76 1qtu s LEU 103 CO 0.09 0.07 0.06 -0.75 0.23 0.00 0.00 176.35 176.05 1qtu s LYS 104 N 0.83 1.25 -0.09 1.70 2.20 0.11 0.13 119.74 125.88 1qtu s LYS 104 Ca -0.07 -1.55 -0.29 0.00 -0.36 0.00 0.00 55.97 53.70 1qtu s LYS 104 Cb -0.15 -2.76 -0.07 0.00 -1.51 0.00 0.00 37.83 33.34 1qtu s LYS 104 CO -0.02 -0.93 2.02 -1.17 -0.36 0.00 0.00 175.35 174.90 1qtu s LEU 105 N 1.17 4.01 0.71 5.43 2.96 0.44 -0.10 118.68 133.30 1qtu s LEU 105 Ca 0.09 2.27 -0.16 0.00 -0.22 0.00 0.00 54.13 56.11 1qtu s LEU 105 Cb -0.18 -3.52 0.00 0.00 0.50 0.00 0.00 46.19 42.99 1qtu s LEU 105 CO -0.14 -1.41 1.03 0.18 -1.32 0.00 0.00 176.35 174.69 1qtu n LEU 106 N 9.18 3.96 -4.20 -0.68 4.77 -0.28 -3.64 117.00 126.11 1qtu n LEU 106 Ca 0.23 0.70 -0.60 0.00 -0.03 0.00 0.00 56.01 56.31 1qtu n LEU 106 Cb 0.43 -1.43 -0.10 0.00 -2.33 0.00 0.00 43.42 39.99 1qtu n LEU 106 CO 0.67 -1.85 1.20 -2.65 -1.33 0.00 0.00 177.39 173.42 1qtu n PRO 107 N -1.90 0.00 -4.43 3.23 -0.02 -1.25 -4.91 135.00 125.73 1qtu n PRO 107 Ca 0.14 0.00 -0.25 0.00 -2.02 0.00 0.00 63.50 61.37 1qtu n PRO 107 Cb 0.49 -1.37 -0.09 0.00 -0.02 0.00 0.00 33.50 32.51 1qtu n PRO 107 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1qtu s ASP 108 N 3.51 3.97 -1.15 2.55 -1.08 -1.26 -5.05 116.67 118.17 1qtu s ASP 108 Ca 1.00 -1.06 -0.20 0.00 -0.52 0.00 0.00 52.55 51.76 1qtu s ASP 108 Cb -1.37 -0.45 -0.05 0.00 -1.46 0.00 0.00 42.92 39.59 1qtu s ASP 108 CO 0.71 -0.18 1.92 -0.67 0.52 0.00 0.00 175.17 177.46 1qtu n ASP 109 N -0.86 3.47 -4.06 -0.34 2.03 -1.26 -4.87 116.55 110.67 1qtu n ASP 109 Ca -0.05 -2.76 -0.42 0.00 0.52 0.00 0.00 54.79 52.08 1qtu n ASP 109 Cb 0.62 -1.59 0.00 0.00 -0.72 0.00 0.00 41.12 39.44 1qtu n ASP 109 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1qtu n ARG 110 N 7.77 3.02 -1.49 -0.67 1.74 -1.26 -4.81 116.66 120.95 1qtu n ARG 110 Ca 0.48 -2.92 -0.36 0.00 -0.77 0.00 0.00 57.85 54.28 1qtu n ARG 110 Cb 0.44 -3.34 0.08 0.00 -1.02 0.00 0.00 32.46 28.62 1qtu n ARG 110 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1qtu n SER 111 N 6.83 1.01 -4.78 0.55 3.41 -1.26 -5.00 113.62 114.38 1qtu n SER 111 Ca 0.50 0.73 -0.33 0.00 -0.26 0.00 0.00 58.87 59.51 1qtu n SER 111 Cb 0.42 -1.45 0.04 0.00 -0.26 0.00 0.00 64.21 62.96 1qtu n SER 111 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1qtu s PRO 112 N -3.29 2.86 0.00 4.33 0.04 -1.26 -3.98 135.00 133.69 1qtu s PRO 112 Ca 0.77 1.34 0.00 0.00 0.04 0.00 0.00 61.00 63.15 1qtu s PRO 112 Cb -0.36 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.21 1qtu s PRO 112 CO 0.47 -1.20 0.00 0.41 0.04 0.00 0.00 177.00 176.72 1qtu n GLY 113 N -0.66 1.42 3.05 0.56 0.00 -1.26 -4.76 105.19 103.54 1qtu n GLY 113 Ca 0.10 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 1qtu n GLY 113 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1qtu s ILE 114 N 0.00 0.46 0.00 -0.61 1.10 -1.26 -5.20 121.20 115.69 1qtu s ILE 114 Ca 0.00 -1.12 0.00 0.00 -0.51 0.00 0.00 60.65 59.02 1qtu s ILE 114 Cb 0.00 -0.63 0.00 0.00 0.15 0.00 0.00 42.46 41.98 1qtu s ILE 114 CO 0.00 -0.45 0.00 0.00 -2.11 0.00 0.00 174.94 172.38