#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knl s PHE 6 N 0.00 3.00 0.00 2.11 0.40 -1.26 -4.93 117.98 117.30 3knl s PHE 6 Ca 0.00 -0.18 0.00 0.00 -0.60 0.00 0.00 56.93 56.15 3knl s PHE 6 Cb 0.00 -3.57 0.00 0.00 0.51 0.00 0.00 43.02 39.96 3knl s PHE 6 CO 0.00 -1.02 0.00 -1.91 0.70 0.00 0.00 175.22 172.99 3knl n GLU 7 N 6.50 0.00 -0.42 0.44 2.13 -0.85 -3.97 120.64 124.46 3knl n GLU 7 Ca -0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.80 3knl n GLU 7 Cb 0.47 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.18 3knl n GLU 7 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 3knl n GLU 8 N 0.00 -1.21 -3.53 5.31 2.13 -1.22 -4.96 120.64 117.16 3knl n GLU 8 Ca 0.00 0.90 -0.14 0.00 0.66 0.00 0.00 57.16 58.58 3knl n GLU 8 Cb 0.00 -1.01 -0.05 0.00 0.27 0.00 0.00 31.44 30.65 3knl n GLU 8 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 3knl s LYS 9 N -5.34 1.10 -0.09 5.31 2.20 -0.51 -4.98 119.74 117.42 3knl s LYS 9 Ca 0.00 -0.26 0.01 0.00 -0.36 0.00 0.00 55.97 55.36 3knl s LYS 9 Cb 0.00 0.50 -0.02 0.00 -1.51 0.00 0.00 37.83 36.80 3knl s LYS 9 CO 0.00 -0.42 -0.12 1.41 -0.36 0.00 0.00 175.35 175.87 3knl s MET 10 N -2.68 2.99 -0.08 4.03 -2.45 -1.26 -0.84 119.30 119.00 3knl s MET 10 Ca -0.04 -0.65 0.20 0.00 -1.25 0.00 0.00 55.69 53.95 3knl s MET 10 Cb -0.00 -2.56 -0.29 0.00 1.25 0.00 0.00 34.83 33.23 3knl s MET 10 CO -0.04 0.44 0.36 -0.89 1.05 0.00 0.00 175.02 175.95 3knl n ILE 11 N 2.88 0.59 -3.81 10.11 5.41 -0.96 -4.97 119.36 128.60 3knl n ILE 11 Ca -0.18 -0.64 -0.12 0.00 1.00 0.00 0.00 62.75 62.81 3knl n ILE 11 Cb 0.53 -0.22 -0.11 0.00 -0.71 0.00 0.00 39.64 39.13 3knl n ILE 11 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 3knl s LEU 12 N -4.96 1.19 -0.20 1.39 0.20 -0.92 -4.97 118.68 110.40 3knl s LEU 12 Ca -0.08 0.28 -0.04 0.00 0.69 0.00 0.00 54.13 54.98 3knl s LEU 12 Cb 0.11 0.81 0.10 0.00 -0.43 0.00 0.00 46.19 46.78 3knl s LEU 12 CO 0.87 -0.18 0.30 -0.63 -0.29 0.00 0.00 176.35 176.43 3knl s ILE 13 N -0.35 -0.47 0.21 6.68 -1.09 -1.26 -1.27 121.20 123.66 3knl s ILE 13 Ca -0.05 0.03 0.03 0.00 -2.23 0.00 0.00 60.65 58.43 3knl s ILE 13 Cb -0.03 -0.67 -0.05 0.00 -1.58 0.00 0.00 42.46 40.13 3knl s ILE 13 CO 0.01 -0.07 0.01 0.00 -1.23 0.00 0.00 174.94 173.66 3knl s ARG 14 N 2.45 1.27 -0.49 2.79 1.70 0.74 -4.97 118.95 122.44 3knl s ARG 14 Ca 0.07 -1.63 0.03 0.00 -0.47 0.00 0.00 55.73 53.73 3knl s ARG 14 Cb -0.14 -0.46 0.13 0.00 -0.57 0.00 0.00 34.95 33.91 3knl s ARG 14 CO -0.13 -0.13 0.25 0.50 -1.08 0.00 0.00 175.30 174.72 3knl s ARG 15 N -3.90 1.75 0.00 3.89 3.52 -1.26 -0.06 118.95 122.89 3knl s ARG 15 Ca 0.28 -2.42 0.00 0.00 -0.13 0.00 0.00 55.73 53.46 3knl s ARG 15 Cb 0.06 -3.01 0.00 0.00 -1.56 0.00 0.00 34.95 30.44 3knl s ARG 15 CO 0.08 -1.12 0.00 0.25 -0.81 0.00 0.00 175.30 173.69 3knl n THR 16 N 3.26 0.00 -3.21 4.11 -2.24 -0.83 -4.82 114.28 110.54 3knl n THR 16 Ca 0.06 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.87 3knl n THR 16 Cb 0.33 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.52 3knl n THR 16 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3knl s ALA 17 N -2.31 -3.23 0.26 6.98 0.00 -1.26 -4.30 121.76 117.89 3knl s ALA 17 Ca 0.00 1.80 0.10 0.00 0.00 0.00 0.00 51.96 53.86 3knl s ALA 17 Cb 0.00 -2.28 -0.04 0.00 0.00 0.00 0.00 23.12 20.80 3knl s ALA 17 CO 0.00 -1.01 -0.07 -0.98 0.00 0.00 0.00 175.76 173.70 3knl s ARG 18 N 2.18 2.08 0.25 0.00 1.70 0.10 -5.00 118.95 120.26 3knl s ARG 18 Ca -0.00 -1.49 0.05 0.00 -0.47 0.00 0.00 55.73 53.81 3knl s ARG 18 Cb -0.02 -2.05 -0.03 0.00 -0.57 0.00 0.00 34.95 32.28 3knl s ARG 18 CO -0.16 0.37 0.38 -1.64 -1.08 0.00 0.00 175.30 173.16 3knl s MET 19 N -3.50 3.41 -0.27 3.89 -1.94 -1.26 -1.96 119.30 117.67 3knl s MET 19 Ca 0.30 -0.78 -0.27 0.00 -1.71 0.00 0.00 55.69 53.23 3knl s MET 19 Cb -0.06 -2.88 0.17 0.00 2.01 0.00 0.00 34.83 34.07 3knl s MET 19 CO 0.18 0.39 1.27 -1.14 -0.01 0.00 0.00 175.02 175.71 3knl s GLN 20 N -4.01 0.23 -0.41 2.03 0.74 -1.24 -4.88 119.66 112.11 3knl s GLN 20 Ca 0.35 0.18 -0.40 0.00 0.05 0.00 0.00 55.36 55.54 3knl s GLN 20 Cb -0.09 0.11 -0.15 0.00 1.10 0.00 0.00 33.01 33.98 3knl s GLN 20 CO 0.29 -0.05 2.10 0.00 -0.55 0.00 0.00 175.29 177.09 3knl n ALA 21 N 1.34 0.48 -0.61 1.58 0.00 -1.26 -3.95 120.51 118.09 3knl n ALA 21 Ca -0.08 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3knl n ALA 21 Cb 0.57 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.74 3knl n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3knl n GLY 22 N 6.62 -1.09 1.34 0.00 0.00 -1.26 -5.04 105.19 105.76 3knl n GLY 22 Ca 0.45 -0.68 0.18 0.00 0.00 0.00 0.00 46.02 45.97 3knl n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knl n GLY 23 N 0.84 -2.14 3.08 -0.02 0.00 -1.25 -4.88 105.19 100.82 3knl n GLY 23 Ca 0.00 -1.16 -0.27 0.00 0.00 0.00 0.00 46.02 44.58 3knl n GLY 23 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3knl s ARG 24 N -2.53 2.16 0.01 1.61 1.70 -1.26 -3.73 118.95 116.92 3knl s ARG 24 Ca 0.00 -0.57 -0.05 0.00 -0.47 0.00 0.00 55.73 54.65 3knl s ARG 24 Cb 0.00 -1.75 -0.04 0.00 -0.57 0.00 0.00 34.95 32.59 3knl s ARG 24 CO 0.00 0.05 0.24 1.03 -1.08 0.00 0.00 175.30 175.53 3knl s ARG 25 N 0.66 3.52 0.00 3.89 0.52 -0.83 -4.92 118.95 121.79 3knl s ARG 25 Ca -0.14 -0.20 0.00 0.00 -0.52 0.00 0.00 55.73 54.88 3knl s ARG 25 Cb -0.16 -3.07 0.00 0.00 0.52 0.00 0.00 34.95 32.24 3knl s ARG 25 CO 0.04 0.65 0.00 1.19 0.02 0.00 0.00 175.30 177.19 3knl n PHE 26 N 0.94 0.00 0.00 -0.53 3.01 -1.26 -0.72 117.46 118.90 3knl n PHE 26 Ca -0.10 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.36 3knl n PHE 26 Cb 0.53 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.00 3knl n PHE 26 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 3knl n ARG 27 N 0.00 0.00 -3.03 -1.08 0.63 -1.26 -4.78 116.66 107.13 3knl n ARG 27 Ca 0.00 0.00 -0.37 0.00 -0.92 0.00 0.00 57.85 56.56 3knl n ARG 27 Cb 0.00 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 32.85 3knl n ARG 27 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 3knl s PHE 28 N 0.00 3.75 0.13 -0.14 0.40 -0.73 -1.97 117.98 119.42 3knl s PHE 28 Ca 0.00 1.51 0.11 0.00 -0.60 0.00 0.00 56.93 57.95 3knl s PHE 28 Cb 0.00 -2.70 -0.04 0.00 0.51 0.00 0.00 43.02 40.79 3knl s PHE 28 CO 0.00 0.40 -0.26 0.20 0.70 0.00 0.00 175.22 176.26 3knl s GLY 29 N -1.44 1.59 -0.03 4.36 0.00 0.91 -1.07 107.32 111.63 3knl s GLY 29 Ca 0.40 -1.45 -0.00 0.00 0.00 0.00 0.00 44.72 43.67 3knl s GLY 29 CO 0.23 -1.43 0.02 0.00 0.00 0.00 0.00 173.10 171.93 3knl s ALA 30 N -1.06 0.24 -0.22 3.20 0.00 0.33 -0.19 121.76 124.07 3knl s ALA 30 Ca 0.14 0.20 -0.08 0.00 0.00 0.00 0.00 51.96 52.23 3knl s ALA 30 Cb -0.10 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 3knl s ALA 30 CO 0.06 -0.19 0.07 -1.17 0.00 0.00 0.00 175.76 174.54 3knl s LEU 31 N 1.32 3.67 0.09 0.00 1.98 -0.40 -0.25 118.68 125.10 3knl s LEU 31 Ca -0.06 -0.04 0.04 0.00 -2.89 0.00 0.00 54.13 51.18 3knl s LEU 31 Cb -0.13 -1.96 -0.03 0.00 0.66 0.00 0.00 46.19 44.73 3knl s LEU 31 CO -0.03 0.07 -0.10 -0.69 -1.89 0.00 0.00 176.35 173.72 3knl s VAL 32 N 0.97 0.91 -0.08 1.68 1.01 0.97 -2.17 120.40 123.69 3knl s VAL 32 Ca 0.04 -1.59 0.03 0.00 0.00 0.00 0.00 61.98 60.46 3knl s VAL 32 Cb -0.14 -1.30 -0.02 0.00 0.00 0.00 0.00 36.38 34.92 3knl s VAL 32 CO 0.03 -0.54 -0.17 -0.69 0.00 0.00 0.00 175.10 173.74 3knl s VAL 33 N -2.34 2.80 -0.23 2.92 1.01 -0.02 -0.16 120.40 124.38 3knl s VAL 33 Ca 0.04 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.25 3knl s VAL 33 Cb -0.03 -2.11 0.05 0.00 0.00 0.00 0.00 36.38 34.29 3knl s VAL 33 CO 0.00 0.56 -0.11 -0.69 0.00 0.00 0.00 175.10 174.86 3knl s VAL 34 N -0.19 1.94 0.20 2.92 1.01 0.73 -1.43 120.40 125.58 3knl s VAL 34 Ca -0.01 -1.32 0.01 0.00 0.00 0.00 0.00 61.98 60.66 3knl s VAL 34 Cb -0.13 -2.01 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 3knl s VAL 34 CO 0.03 0.10 0.07 -0.83 0.00 0.00 0.00 175.10 174.47 3knl s GLY 35 N 1.24 1.39 -0.00 4.51 0.00 -1.25 0.04 107.32 113.24 3knl s GLY 35 Ca -0.04 -1.68 0.04 0.00 0.00 0.00 0.00 44.72 43.04 3knl s GLY 35 CO -0.07 -1.49 0.14 2.09 0.00 0.00 0.00 173.10 173.77 3knl n ASP 36 N -0.29 1.70 -0.50 1.64 3.85 -0.89 -2.02 116.55 120.05 3knl n ASP 36 Ca -0.02 -0.36 -0.06 0.00 -0.71 0.00 0.00 54.79 53.63 3knl n ASP 36 Cb 0.65 1.08 -0.03 0.00 -1.35 0.00 0.00 41.12 41.47 3knl n ASP 36 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 3knl n ARG 37 N -1.31 -0.48 -0.02 0.11 1.74 -0.81 -4.84 116.66 111.05 3knl n ARG 37 Ca 0.00 0.71 -0.01 0.00 -0.77 0.00 0.00 57.85 57.79 3knl n ARG 37 Cb 0.08 -4.49 -0.04 0.00 -1.02 0.00 0.00 32.46 26.99 3knl n ARG 37 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3knl n GLN 38 N -2.75 2.17 0.00 5.56 1.13 -1.21 -4.23 117.38 118.05 3knl n GLN 38 Ca -0.06 -0.02 0.00 0.00 -1.94 0.00 0.00 57.00 54.98 3knl n GLN 38 Cb 0.22 -1.13 0.00 0.00 0.11 0.00 0.00 30.24 29.44 3knl n GLN 38 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3knl n GLY 39 N 2.52 -0.69 3.27 1.08 0.00 -0.49 -4.92 105.19 105.96 3knl n GLY 39 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 3knl n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3knl s ARG 40 N 0.00 2.79 -0.18 1.61 0.52 -1.26 -3.02 118.95 119.42 3knl s ARG 40 Ca 0.00 -0.87 -0.23 0.00 -0.52 0.00 0.00 55.73 54.11 3knl s ARG 40 Cb 0.00 -2.26 0.06 0.00 0.52 0.00 0.00 34.95 33.27 3knl s ARG 40 CO 0.00 0.31 0.60 0.14 0.02 0.00 0.00 175.30 176.37 3knl s VAL 41 N 0.02 0.00 0.09 3.52 -7.23 -1.26 -2.38 120.40 113.17 3knl s VAL 41 Ca -0.09 -0.04 0.03 0.00 -1.81 0.00 0.00 61.98 60.08 3knl s VAL 41 Cb -0.15 -0.86 -0.03 0.00 0.56 0.00 0.00 36.38 35.89 3knl s VAL 41 CO 0.05 -0.02 -0.10 -0.83 -0.31 0.00 0.00 175.10 173.89 3knl s GLY 42 N -0.11 0.80 -0.05 2.32 0.00 0.11 -2.95 107.32 107.43 3knl s GLY 42 Ca -0.03 -1.13 0.06 0.00 0.00 0.00 0.00 44.72 43.61 3knl s GLY 42 CO 0.03 -1.20 -0.22 -2.27 0.00 0.00 0.00 173.10 169.44 3knl s LEU 43 N -2.31 2.02 -0.09 0.66 2.96 -1.25 -0.19 118.68 120.48 3knl s LEU 43 Ca 0.03 -0.46 -0.04 0.00 -0.22 0.00 0.00 54.13 53.45 3knl s LEU 43 Cb -0.04 -1.24 0.05 0.00 0.50 0.00 0.00 46.19 45.46 3knl s LEU 43 CO -0.00 0.22 0.19 -0.83 -1.32 0.00 0.00 176.35 174.61 3knl s GLY 44 N -0.11 -0.05 -0.18 7.98 0.00 0.77 -4.44 107.32 111.31 3knl s GLY 44 Ca -0.03 0.76 -0.06 0.00 0.00 0.00 0.00 44.72 45.39 3knl s GLY 44 CO 0.03 1.43 0.02 -0.12 0.00 0.00 0.00 173.10 174.46 3knl s PHE 45 N 1.75 3.13 0.00 1.90 5.36 -1.26 -0.02 117.98 128.84 3knl s PHE 45 Ca -0.04 -0.14 0.01 0.00 -0.96 0.00 0.00 56.93 55.80 3knl s PHE 45 Cb -0.12 -2.04 -0.01 0.00 -0.34 0.00 0.00 43.02 40.52 3knl s PHE 45 CO -0.07 0.02 -0.03 0.20 -1.46 0.00 0.00 175.22 173.88 3knl s GLY 46 N 0.48 0.18 0.11 13.12 0.00 0.65 -4.84 107.32 117.01 3knl s GLY 46 Ca 0.00 -0.23 0.06 0.00 0.00 0.00 0.00 44.72 44.55 3knl s GLY 46 CO 0.02 -0.23 -0.04 0.54 0.00 0.00 0.00 173.10 173.38 3knl s LYS 47 N -0.37 2.34 -0.06 2.90 3.01 -1.26 -0.51 119.74 125.79 3knl s LYS 47 Ca -0.02 -0.97 -0.29 0.00 -1.01 0.00 0.00 55.97 53.68 3knl s LYS 47 Cb -0.03 -2.41 0.10 0.00 -1.01 0.00 0.00 37.83 34.48 3knl s LYS 47 CO -0.00 0.51 0.83 0.00 0.51 0.00 0.00 175.35 177.20 3knl s ALA 48 N -1.35 -1.82 -0.44 5.17 0.00 -0.24 -4.86 121.76 118.23 3knl s ALA 48 Ca 0.24 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.47 3knl s ALA 48 Cb -0.11 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 22.93 3knl s ALA 48 CO 0.16 -0.46 0.41 -2.30 0.00 0.00 0.00 175.76 173.58 3knl n PRO 49 N 0.46 0.53 -3.60 0.00 -0.02 -1.26 -1.78 135.00 129.34 3knl n PRO 49 Ca -0.13 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.26 3knl n PRO 49 Cb 0.59 -1.25 -0.05 0.00 -0.02 0.00 0.00 33.50 32.77 3knl n PRO 49 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3knl s GLU 50 N -0.17 0.46 0.05 -0.52 2.56 -1.26 -4.82 118.70 115.00 3knl s GLU 50 Ca 0.00 0.16 -0.29 0.00 0.00 0.00 0.00 54.97 54.83 3knl s GLU 50 Cb 0.00 0.22 -0.18 0.00 2.00 0.00 0.00 34.13 36.17 3knl s GLU 50 CO 0.00 -0.14 1.50 0.28 -0.56 0.00 0.00 175.26 176.35 3knl h VAL 51 N 2.57 0.48 -0.23 3.70 2.07 -1.89 -0.07 116.25 122.88 3knl h VAL 51 Ca -0.17 -0.17 0.03 0.00 0.82 0.00 0.00 66.70 67.21 3knl h VAL 51 Cb 1.17 0.56 -0.06 0.00 -1.52 0.00 0.00 31.29 31.44 3knl h VAL 51 CO 0.27 0.03 -0.47 -0.65 0.02 0.00 0.00 177.57 176.77 3knl h PRO 52 N -0.79 -0.40 -0.33 1.57 0.11 -1.98 0.20 132.00 130.38 3knl h PRO 52 Ca -0.07 0.03 0.10 0.00 0.11 0.00 0.00 66.00 66.16 3knl h PRO 52 Cb 0.57 0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.76 3knl h PRO 52 CO 0.11 -0.27 0.27 -0.07 -0.21 0.00 0.00 178.00 177.84 3knl h LEU 53 N -0.42 0.00 -0.29 2.35 4.07 -1.97 -0.99 115.31 118.06 3knl h LEU 53 Ca 0.04 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.95 3knl h LEU 53 Cb 0.55 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.28 3knl h LEU 53 CO -0.44 0.00 -0.04 0.00 -1.08 0.00 0.00 178.44 176.87 3knl h ALA 54 N 1.77 0.40 -0.14 1.53 0.00 0.13 -1.51 119.26 121.44 3knl h ALA 54 Ca 0.16 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 3knl h ALA 54 Cb 0.70 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3knl h ALA 54 CO -0.00 0.19 -0.26 0.28 0.00 0.00 0.00 179.25 179.46 3knl h VAL 55 N 0.32 1.24 0.00 0.00 2.07 0.17 -2.66 116.25 117.39 3knl h VAL 55 Ca 0.08 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 66.45 3knl h VAL 55 Cb 0.51 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 3knl h VAL 55 CO 0.02 0.35 0.00 0.00 0.02 0.00 0.00 177.57 177.96 3knl n GLN 56 N -4.15 0.00 -0.31 1.57 1.13 -0.62 -2.53 117.38 112.46 3knl n GLN 56 Ca -0.01 0.20 0.09 0.00 -1.94 0.00 0.00 57.00 55.35 3knl n GLN 56 Cb 0.37 -1.15 0.19 0.00 0.11 0.00 0.00 30.24 29.76 3knl n GLN 56 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3knl n LYS 57 N -1.01 -0.07 0.01 -1.09 5.02 -0.60 -1.78 118.16 118.63 3knl n LYS 57 Ca 0.00 1.35 -0.05 0.00 -2.02 0.00 0.00 58.31 57.59 3knl n LYS 57 Cb 0.00 -2.07 -0.03 0.00 -0.02 0.00 0.00 35.03 32.91 3knl n LYS 57 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3knl h ALA 58 N 1.76 -0.62 -0.98 7.82 0.00 -1.44 0.12 119.26 125.92 3knl h ALA 58 Ca 0.48 -0.02 0.24 0.00 0.00 0.00 0.00 54.91 55.60 3knl h ALA 58 Cb 0.86 0.68 -0.12 0.00 0.00 0.00 0.00 17.79 19.21 3knl h ALA 58 CO -0.87 -0.67 0.55 0.78 0.00 0.00 0.00 179.25 179.04 3knl h GLY 59 N -0.21 1.83 0.84 0.00 0.00 -1.05 0.51 103.07 104.99 3knl h GLY 59 Ca 0.01 -0.28 -0.04 0.00 0.00 0.00 0.00 47.33 47.01 3knl h GLY 59 CO -0.13 -0.25 -0.48 -1.82 0.00 0.00 0.00 176.54 173.87 3knl h TYR 60 N 0.55 -1.26 -0.91 5.60 5.03 -0.82 0.10 116.97 125.26 3knl h TYR 60 Ca 0.63 -0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.93 3knl h TYR 60 Cb 1.19 0.44 -0.05 0.00 1.55 0.00 0.00 36.73 39.86 3knl h TYR 60 CO -0.03 -0.73 0.60 1.88 -1.32 0.00 0.00 178.16 178.56 3knl h TYR 61 N -1.22 1.14 0.06 -3.82 0.05 0.08 -2.78 116.97 110.48 3knl h TYR 61 Ca -0.11 0.03 0.01 0.00 0.05 0.00 0.00 58.73 58.70 3knl h TYR 61 Cb 0.96 -0.38 -0.02 0.00 1.01 0.00 0.00 36.73 38.29 3knl h TYR 61 CO -0.06 0.71 -0.26 0.00 -1.05 0.00 0.00 178.16 177.50 3knl h ALA 62 N 1.34 -0.77 -1.24 3.88 0.00 0.24 -1.06 119.26 121.64 3knl h ALA 62 Ca 0.34 -0.05 0.36 0.00 0.00 0.00 0.00 54.91 55.55 3knl h ALA 62 Cb -0.13 0.67 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 3knl h ALA 62 CO -0.08 -0.84 0.89 0.00 0.00 0.00 0.00 179.25 179.23 3knl h ARG 63 N -0.37 0.00 -1.67 0.00 3.08 -0.68 0.36 114.38 115.10 3knl h ARG 63 Ca -0.00 -0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.68 3knl h ARG 63 Cb 0.37 -0.00 -0.15 0.00 0.08 0.00 0.00 29.97 30.27 3knl h ARG 63 CO -0.14 0.00 0.38 -2.13 -1.07 0.00 0.00 179.97 177.01 3knl n ARG 64 N -4.17 1.96 0.00 0.04 0.63 -0.40 -4.62 116.66 110.10 3knl n ARG 64 Ca 0.27 -1.74 0.00 0.00 -0.92 0.00 0.00 57.85 55.45 3knl n ARG 64 Cb 1.30 -1.76 0.00 0.00 0.45 0.00 0.00 32.46 32.44 3knl n ARG 64 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 3knl n ASN 65 N 0.57 0.00 0.00 6.15 5.15 0.12 -4.99 115.26 122.26 3knl n ASN 65 Ca 0.35 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.33 3knl n ASN 65 Cb 0.58 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.83 3knl n ASN 65 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 3knl n MET 66 N 0.00 1.93 -3.53 1.20 2.81 -1.26 -3.45 117.12 114.83 3knl n MET 66 Ca 0.00 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.80 3knl n MET 66 Cb 0.00 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 32.48 3knl n MET 66 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3knl s VAL 67 N 0.91 0.00 -0.03 2.03 0.11 -1.15 -4.87 120.40 117.40 3knl s VAL 67 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 3knl s VAL 67 Cb 0.00 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.89 3knl s VAL 67 CO 0.00 0.00 1.05 -1.84 -3.33 0.00 0.00 175.10 170.98 3knl n GLU 68 N 0.12 1.08 -0.69 1.54 0.28 -1.26 -4.38 120.64 117.32 3knl n GLU 68 Ca -0.09 -0.18 -0.12 0.00 -0.16 0.00 0.00 57.16 56.61 3knl n GLU 68 Cb 0.60 -1.07 -0.10 0.00 1.43 0.00 0.00 31.44 32.30 3knl n GLU 68 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 3knl n VAL 69 N 0.40 0.00 -0.14 3.84 0.31 -1.17 -4.64 118.33 116.94 3knl n VAL 69 Ca 0.04 -0.19 -0.01 0.00 -0.01 0.00 0.00 64.34 64.17 3knl n VAL 69 Cb 0.57 -0.04 -0.02 0.00 -0.91 0.00 0.00 33.84 33.44 3knl n VAL 69 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3knl n PRO 70 N 2.78 0.27 -0.99 5.55 -0.02 -1.26 -4.73 135.00 136.59 3knl n PRO 70 Ca 0.31 -0.10 -0.05 0.00 -2.02 0.00 0.00 63.50 61.64 3knl n PRO 70 Cb 0.06 -1.52 -0.02 0.00 -0.02 0.00 0.00 33.50 32.00 3knl n PRO 70 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3knl n LEU 71 N 2.51 -1.01 -4.38 2.45 4.77 -1.26 -4.51 117.00 115.57 3knl n LEU 71 Ca 0.04 -1.05 -0.37 0.00 -0.03 0.00 0.00 56.01 54.60 3knl n LEU 71 Cb 0.13 -0.38 -0.03 0.00 -2.33 0.00 0.00 43.42 40.81 3knl n LEU 71 CO 0.14 -1.49 1.89 0.00 -1.33 0.00 0.00 177.39 176.60 3knl n GLN 72 N 4.59 2.38 -2.34 3.23 6.02 -0.90 -4.35 117.38 126.02 3knl n GLN 72 Ca 0.07 -2.75 -0.03 0.00 -0.01 0.00 0.00 57.00 54.29 3knl n GLN 72 Cb 0.37 -3.50 0.00 0.00 1.02 0.00 0.00 30.24 28.13 3knl n GLN 72 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3knl n ASN 73 N 10.29 -5.93 0.00 1.08 4.05 -1.26 -3.98 115.26 119.50 3knl n ASN 73 Ca 0.48 0.65 0.00 0.00 0.45 0.00 0.00 54.58 56.16 3knl n ASN 73 Cb 0.45 -3.87 0.00 0.00 1.23 0.00 0.00 39.78 37.59 3knl n ASN 73 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3knl n GLY 74 N 0.05 0.00 3.22 8.20 0.00 -1.26 -4.79 105.19 110.61 3knl n GLY 74 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 3knl n GLY 74 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3knl n THR 75 N 0.00 0.00 -3.43 2.61 5.66 -1.26 0.15 114.28 118.01 3knl n THR 75 Ca 0.00 -1.77 -0.19 0.00 -3.05 0.00 0.00 64.05 59.04 3knl n THR 75 Cb 0.00 -0.25 -0.00 0.00 -1.55 0.00 0.00 70.33 68.53 3knl n THR 75 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 3knl s ILE 76 N -2.21 4.09 0.00 1.09 -4.36 -1.26 -2.11 121.20 116.44 3knl s ILE 76 Ca 0.34 -0.95 0.00 0.00 -0.26 0.00 0.00 60.65 59.77 3knl s ILE 76 Cb -0.03 -3.42 0.00 0.00 1.25 0.00 0.00 42.46 40.26 3knl s ILE 76 CO 0.21 -0.17 0.33 -0.81 0.24 0.00 0.00 174.94 174.74 3knl n PRO 77 N -1.68 0.00 -4.26 0.37 -0.04 -1.26 -4.60 135.00 123.54 3knl n PRO 77 Ca -0.00 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.14 3knl n PRO 77 Cb 0.58 -0.81 -0.09 0.00 -0.04 0.00 0.00 33.50 33.14 3knl n PRO 77 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 3knl s HIS 78 N -0.65 2.99 0.32 0.54 -3.43 -1.26 -4.81 115.29 108.99 3knl s HIS 78 Ca 0.00 0.01 -0.29 0.00 -0.80 0.00 0.00 55.06 53.98 3knl s HIS 78 Cb 0.00 -1.60 -0.10 0.00 -1.43 0.00 0.00 32.58 29.45 3knl s HIS 78 CO 0.00 0.45 1.38 -1.83 -2.00 0.00 0.00 174.74 172.74 3knl s GLU 79 N -1.83 4.28 -0.16 -0.38 4.04 -1.26 -4.85 118.70 118.53 3knl s GLU 79 Ca 0.21 2.32 -0.18 0.00 0.04 0.00 0.00 54.97 57.37 3knl s GLU 79 Cb -0.11 -3.06 0.05 0.00 0.02 0.00 0.00 34.13 31.03 3knl s GLU 79 CO 0.13 -0.33 0.49 0.96 -1.84 0.00 0.00 175.26 174.67 3knl s ILE 80 N -0.85 0.00 -0.00 1.83 -4.36 -1.03 -5.01 121.20 111.78 3knl s ILE 80 Ca 0.52 -0.04 0.03 0.00 -0.26 0.00 0.00 60.65 60.91 3knl s ILE 80 Cb -0.42 -0.70 -0.03 0.00 1.25 0.00 0.00 42.46 42.56 3knl s ILE 80 CO 0.53 -0.02 -0.07 -1.61 0.24 0.00 0.00 174.94 174.00 3knl s GLU 81 N 0.05 2.54 -0.02 0.37 2.02 -1.26 -2.42 118.70 119.98 3knl s GLU 81 Ca -0.02 -0.72 0.00 0.00 0.02 0.00 0.00 54.97 54.25 3knl s GLU 81 Cb -0.03 -2.49 0.03 0.00 0.10 0.00 0.00 34.13 31.74 3knl s GLU 81 CO 0.01 0.60 0.02 0.08 0.02 0.00 0.00 175.26 176.00 3knl s VAL 82 N -0.98 -0.00 0.07 2.63 1.01 -0.42 -4.97 120.40 117.74 3knl s VAL 82 Ca 0.17 0.19 -0.06 0.00 0.00 0.00 0.00 61.98 62.28 3knl s VAL 82 Cb -0.11 -0.13 -0.05 0.00 0.00 0.00 0.00 36.38 36.09 3knl s VAL 82 CO 0.07 0.10 0.32 -1.61 0.00 0.00 0.00 175.10 173.98 3knl s GLU 83 N 1.08 3.61 -0.30 2.72 2.02 -1.26 -1.55 118.70 125.03 3knl s GLU 83 Ca -0.09 -0.07 0.01 0.00 0.02 0.00 0.00 54.97 54.84 3knl s GLU 83 Cb -0.13 -2.99 0.14 0.00 0.10 0.00 0.00 34.13 31.26 3knl s GLU 83 CO -0.03 0.57 0.33 0.12 0.02 0.00 0.00 175.26 176.27 3knl s PHE 84 N -1.45 -0.59 0.00 1.61 5.36 0.17 -4.97 117.98 118.10 3knl s PHE 84 Ca 0.34 -0.11 0.00 0.00 -0.96 0.00 0.00 56.93 56.20 3knl s PHE 84 Cb -0.13 -0.38 0.00 0.00 -0.34 0.00 0.00 43.02 42.17 3knl s PHE 84 CO 0.20 -0.94 0.00 0.41 -1.46 0.00 0.00 175.22 173.43 3knl n GLY 85 N 5.23 2.64 0.49 13.12 0.00 -1.26 -0.67 105.19 124.75 3knl n GLY 85 Ca -0.00 0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.14 3knl n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3knl n ALA 86 N 10.42 2.65 -2.56 4.61 0.00 -1.26 -4.89 120.51 129.47 3knl n ALA 86 Ca 0.00 -0.58 -0.40 0.00 0.00 0.00 0.00 53.44 52.46 3knl n ALA 86 Cb 0.00 -0.48 -0.09 0.00 0.00 0.00 0.00 19.45 18.87 3knl n ALA 86 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3knl s SER 87 N -1.35 6.17 -0.00 0.00 0.01 0.16 -2.27 113.70 116.42 3knl s SER 87 Ca 0.15 -0.10 0.07 0.00 1.31 0.00 0.00 55.95 57.38 3knl s SER 87 Cb 0.12 -2.19 -0.02 0.00 0.21 0.00 0.00 66.02 64.14 3knl s SER 87 CO 0.23 -0.27 -0.22 -0.75 0.41 0.00 0.00 173.24 172.64 3knl s LYS 88 N 1.99 1.71 0.14 12.44 2.20 -1.13 0.43 119.74 137.52 3knl s LYS 88 Ca 0.12 -0.83 0.07 0.00 -0.36 0.00 0.00 55.97 54.97 3knl s LYS 88 Cb -0.16 -1.69 -0.04 0.00 -1.51 0.00 0.00 37.83 34.42 3knl s LYS 88 CO 0.11 0.46 -0.15 -1.50 -0.36 0.00 0.00 175.35 173.91 3knl s ILE 89 N -0.57 1.48 -0.03 5.43 2.07 -0.59 -1.43 121.20 127.55 3knl s ILE 89 Ca 0.08 -1.83 0.02 0.00 -1.41 0.00 0.00 60.65 57.51 3knl s ILE 89 Cb -0.09 -1.68 0.01 0.00 0.13 0.00 0.00 42.46 40.83 3knl s ILE 89 CO -0.00 -0.43 -0.09 -0.69 -1.91 0.00 0.00 174.94 171.82 3knl s VAL 90 N -2.26 0.79 0.04 4.00 1.01 -0.67 -1.30 120.40 122.00 3knl s VAL 90 Ca 0.12 -0.34 0.07 0.00 0.00 0.00 0.00 61.98 61.83 3knl s VAL 90 Cb -0.04 -0.72 -0.02 0.00 0.00 0.00 0.00 36.38 35.59 3knl s VAL 90 CO 0.04 0.26 -0.19 -0.76 0.00 0.00 0.00 175.10 174.45 3knl s LEU 91 N 0.37 2.15 -0.09 3.92 2.01 -1.02 -2.09 118.68 123.94 3knl s LEU 91 Ca -0.06 -0.49 -0.03 0.00 0.01 0.00 0.00 54.13 53.56 3knl s LEU 91 Cb -0.11 -0.90 0.05 0.00 0.01 0.00 0.00 46.19 45.24 3knl s LEU 91 CO 0.01 0.15 0.12 -0.54 1.01 0.00 0.00 176.35 177.09 3knl s LYS 92 N -1.08 0.01 0.69 1.70 1.02 0.28 -2.47 119.74 119.89 3knl s LYS 92 Ca 0.06 0.39 -0.16 0.00 0.02 0.00 0.00 55.97 56.28 3knl s LYS 92 Cb -0.08 -0.63 0.02 0.00 -0.52 0.00 0.00 37.83 36.62 3knl s LYS 92 CO 0.01 -0.39 1.25 -1.25 -0.92 0.00 0.00 175.35 174.05 3knl s PRO 93 N 2.23 2.31 0.07 -1.68 0.04 -1.26 0.15 135.00 136.86 3knl s PRO 93 Ca 0.04 1.90 -0.04 0.00 0.04 0.00 0.00 61.00 62.94 3knl s PRO 93 Cb -0.13 -1.84 -0.02 0.00 0.04 0.00 0.00 34.50 32.55 3knl s PRO 93 CO -0.06 -1.74 0.07 0.00 0.04 0.00 0.00 177.00 175.31 3knl s ALA 94 N -1.71 0.24 0.84 8.56 0.00 -1.11 -4.71 121.76 123.88 3knl s ALA 94 Ca 0.78 -1.00 -0.11 0.00 0.00 0.00 0.00 51.96 51.64 3knl s ALA 94 Cb -0.33 0.40 0.10 0.00 0.00 0.00 0.00 23.12 23.29 3knl s ALA 94 CO 0.43 -0.44 1.10 0.00 0.00 0.00 0.00 175.76 176.85 3knl s ALA 95 N -3.91 1.85 0.95 0.00 0.00 -1.26 -4.68 121.76 114.70 3knl s ALA 95 Ca 0.08 0.29 -0.11 0.00 0.00 0.00 0.00 51.96 52.21 3knl s ALA 95 Cb 0.07 -3.31 0.14 0.00 0.00 0.00 0.00 23.12 20.02 3knl s ALA 95 CO -0.09 -2.19 0.99 -2.30 0.00 0.00 0.00 175.76 172.17 3knl n PRO 96 N -3.81 -0.59 0.00 0.00 -0.02 -1.26 -3.08 135.00 126.24 3knl n PRO 96 Ca 0.09 -0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 3knl n PRO 96 Cb 0.53 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 3knl n PRO 96 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3knl n GLY 97 N 0.57 2.96 0.37 -1.23 0.00 -1.26 -4.86 105.19 101.73 3knl n GLY 97 Ca 0.10 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.20 3knl n GLY 97 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3knl h THR 98 N 0.00 0.95 0.00 2.61 2.02 -1.89 -3.49 112.91 113.11 3knl h THR 98 Ca 0.00 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.89 3knl h THR 98 Cb 0.00 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.44 3knl h THR 98 CO 0.00 0.15 0.00 0.61 0.37 0.00 0.00 175.52 176.65 3knl n GLY 99 N -1.41 -2.08 3.14 2.16 0.00 -1.25 -4.66 105.19 101.09 3knl n GLY 99 Ca 0.15 -1.44 -0.36 0.00 0.00 0.00 0.00 46.02 44.37 3knl n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3knl s VAL 100 N 0.00 3.18 -0.65 1.61 1.01 -1.15 -3.38 120.40 121.03 3knl s VAL 100 Ca 0.00 -1.81 -0.19 0.00 0.00 0.00 0.00 61.98 59.98 3knl s VAL 100 Cb 0.00 -3.06 0.11 0.00 0.00 0.00 0.00 36.38 33.43 3knl s VAL 100 CO 0.00 -0.48 0.79 0.27 0.00 0.00 0.00 175.10 175.67 3knl s ILE 101 N 1.18 4.79 0.10 2.22 -0.00 -1.19 -4.98 121.20 123.32 3knl s ILE 101 Ca 0.04 -1.06 -0.03 0.00 -0.00 0.00 0.00 60.65 59.60 3knl s ILE 101 Cb -0.21 -4.55 -0.03 0.00 -0.00 0.00 0.00 42.46 37.67 3knl s ILE 101 CO -0.03 -1.21 0.07 0.00 -0.00 0.00 0.00 174.94 173.77 3knl s ALA 102 N 2.72 0.49 0.00 2.27 0.00 -1.26 -1.75 121.76 124.23 3knl s ALA 102 Ca 0.15 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 50.92 3knl s ALA 102 Cb -0.20 0.60 0.00 0.00 0.00 0.00 0.00 23.12 23.52 3knl s ALA 102 CO 0.04 -0.47 0.00 0.41 0.00 0.00 0.00 175.76 175.75 3knl n GLY 103 N -0.03 -2.46 1.57 0.00 0.00 -1.26 -4.75 105.19 98.27 3knl n GLY 103 Ca -0.10 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3knl n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3knl n ALA 104 N -3.00 3.00 -0.09 4.61 0.00 -1.26 -4.60 120.51 119.17 3knl n ALA 104 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 3knl n ALA 104 Cb 0.00 0.19 -0.04 0.00 0.00 0.00 0.00 19.45 19.60 3knl n ALA 104 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3knl h VAL 105 N 0.00 1.25 -0.09 0.00 2.07 -1.94 -2.36 116.25 115.18 3knl h VAL 105 Ca 0.00 -0.87 -0.03 0.00 0.82 0.00 0.00 66.70 66.61 3knl h VAL 105 Cb 0.35 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 3knl h VAL 105 CO 0.00 0.28 -0.10 1.55 0.02 0.00 0.00 177.57 179.32 3knl h PRO 106 N 0.24 0.13 0.08 1.57 0.13 -1.87 -2.59 132.00 129.69 3knl h PRO 106 Ca 0.07 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 65.18 3knl h PRO 106 Cb 0.39 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.50 3knl h PRO 106 CO 0.01 0.24 -0.04 -0.09 -0.23 0.00 0.00 178.00 177.89 3knl h ARG 107 N 0.13 -0.11 -1.16 0.86 2.43 -1.78 -2.35 114.38 112.41 3knl h ARG 107 Ca 0.03 0.01 0.33 0.00 -0.81 0.00 0.00 59.98 59.54 3knl h ARG 107 Cb 0.26 0.02 -0.09 0.00 -0.42 0.00 0.00 29.97 29.75 3knl h ARG 107 CO 0.01 0.19 0.77 0.00 -1.51 0.00 0.00 179.97 179.43 3knl h ALA 108 N 0.47 2.57 -2.58 2.80 0.00 -1.03 0.24 119.26 121.73 3knl h ALA 108 Ca -0.01 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3knl h ALA 108 Cb 0.35 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3knl h ALA 108 CO 0.02 -1.02 0.00 -0.89 0.00 0.00 0.00 179.25 177.36 3knl n ILE 109 N -4.54 0.00 -0.60 0.00 5.41 -1.06 -3.32 119.36 115.25 3knl n ILE 109 Ca 0.29 0.07 0.46 0.00 1.00 0.00 0.00 62.75 64.57 3knl n ILE 109 Cb 1.11 -0.24 0.72 0.00 -0.71 0.00 0.00 39.64 40.52 3knl n ILE 109 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3knl n LEU 110 N -0.75 0.05 0.12 1.39 4.77 -0.91 -0.61 117.00 121.07 3knl n LEU 110 Ca 0.00 1.02 -0.11 0.00 -0.03 0.00 0.00 56.01 56.89 3knl n LEU 110 Cb 0.00 -0.51 -0.07 0.00 -2.33 0.00 0.00 43.42 40.52 3knl n LEU 110 CO 0.00 -1.05 0.39 -0.08 -1.33 0.00 0.00 177.39 175.32 3knl h GLU 111 N 0.00 -0.36 0.00 3.23 4.81 -0.67 0.19 114.58 121.78 3knl h GLU 111 Ca 0.85 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 60.11 3knl h GLU 111 Cb 3.25 0.08 0.00 0.00 0.63 0.00 0.00 28.75 32.71 3knl h GLU 111 CO -0.13 -0.02 0.00 1.28 -0.73 0.00 0.00 179.01 179.42 3knl n LEU 112 N -5.04 0.00 -0.01 1.64 4.77 0.22 -2.13 117.00 116.45 3knl n LEU 112 Ca -0.08 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.77 3knl n LEU 112 Cb 0.26 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.21 3knl n LEU 112 CO 0.25 0.00 -0.59 0.00 -1.33 0.00 0.00 177.39 175.72 3knl h ALA 113 N 3.13 0.63 0.00 -1.18 0.00 -0.78 -2.02 119.26 119.04 3knl h ALA 113 Ca 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 54.91 53.50 3knl h ALA 113 Cb 0.00 0.53 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3knl h ALA 113 CO 0.00 1.47 0.00 0.41 0.00 0.00 0.00 179.25 181.13 3knl n GLY 114 N 1.69 1.74 3.85 0.00 0.00 -0.91 -1.39 105.19 110.18 3knl n GLY 114 Ca -0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 3knl n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3knl s VAL 115 N -2.00 5.16 0.00 1.61 1.01 0.64 -4.60 120.40 122.22 3knl s VAL 115 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 61.98 62.60 3knl s VAL 115 Cb 0.00 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.75 3knl s VAL 115 CO 0.00 0.55 0.00 0.41 0.00 0.00 0.00 175.10 176.06 3knl n THR 116 N 1.72 0.00 -3.97 3.92 -1.04 0.40 -4.47 114.28 110.84 3knl n THR 116 Ca -0.15 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.56 3knl n THR 116 Cb 0.53 -0.80 -0.15 0.00 -1.82 0.00 0.00 70.33 68.09 3knl n THR 116 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 3knl s ASP 117 N -4.30 4.62 0.05 8.00 1.01 -1.13 -2.92 116.67 121.99 3knl s ASP 117 Ca 0.00 -2.13 -0.00 0.00 0.71 0.00 0.00 52.55 51.13 3knl s ASP 117 Cb 0.00 -1.51 -0.03 0.00 1.01 0.00 0.00 42.92 42.39 3knl s ASP 117 CO 0.00 -0.38 -0.04 -0.51 0.21 0.00 0.00 175.17 174.46 3knl s ILE 118 N 0.94 0.28 -0.13 0.77 1.10 -1.22 -2.74 121.20 120.21 3knl s ILE 118 Ca 0.11 -1.52 0.01 0.00 -0.51 0.00 0.00 60.65 58.75 3knl s ILE 118 Cb -0.19 -1.12 -0.01 0.00 0.15 0.00 0.00 42.46 41.29 3knl s ILE 118 CO -0.10 -0.79 -0.18 -0.76 -2.11 0.00 0.00 174.94 171.00 3knl s LEU 119 N -2.42 2.42 0.05 8.50 1.43 0.40 -3.15 118.68 125.90 3knl s LEU 119 Ca -0.00 -0.45 -0.01 0.00 -1.03 0.00 0.00 54.13 52.64 3knl s LEU 119 Cb 0.01 -1.52 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 3knl s LEU 119 CO -0.06 0.14 -0.03 0.42 0.23 0.00 0.00 176.35 177.05 3knl s THR 120 N 0.46 0.25 -0.28 5.49 -4.23 -0.72 0.10 115.64 116.72 3knl s THR 120 Ca -0.12 -1.77 -0.16 0.00 -1.18 0.00 0.00 61.69 58.46 3knl s THR 120 Cb -0.16 -1.46 0.09 0.00 1.34 0.00 0.00 72.50 72.30 3knl s THR 120 CO 0.05 -0.96 0.72 -0.75 -0.54 0.00 0.00 174.62 173.14 3knl s LYS 121 N -3.77 0.69 -0.02 3.99 2.47 -0.89 -4.71 119.74 117.50 3knl s LYS 121 Ca 0.06 1.17 -0.19 0.00 -1.56 0.00 0.00 55.97 55.45 3knl s LYS 121 Cb 0.07 0.14 -0.05 0.00 -1.46 0.00 0.00 37.83 36.53 3knl s LYS 121 CO -0.09 -0.14 0.53 -1.21 0.16 0.00 0.00 175.35 174.60 3knl s GLU 122 N 1.56 4.23 -0.13 4.03 2.02 -1.26 -1.68 118.70 127.49 3knl s GLU 122 Ca -0.10 0.61 -0.01 0.00 0.02 0.00 0.00 54.97 55.49 3knl s GLU 122 Cb -0.05 -3.33 0.03 0.00 0.10 0.00 0.00 34.13 30.89 3knl s GLU 122 CO -0.19 0.41 -0.04 -0.51 0.02 0.00 0.00 175.26 174.96 3knl s LEU 123 N -0.28 1.16 0.00 1.80 1.43 -0.51 -5.03 118.68 117.25 3knl s LEU 123 Ca 0.28 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 3knl s LEU 123 Cb -0.17 -0.74 0.00 0.00 0.03 0.00 0.00 46.19 45.31 3knl s LEU 123 CO 0.15 -0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.17 3knl n GLY 124 N 4.98 -2.28 0.00 -3.19 0.00 -1.26 -2.85 105.19 100.60 3knl n GLY 124 Ca -0.11 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.43 3knl n GLY 124 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3knl n SER 125 N -1.92 0.00 -0.63 1.61 2.88 -0.96 -4.40 113.62 110.20 3knl n SER 125 Ca 0.00 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.60 3knl n SER 125 Cb 0.00 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 63.61 3knl n SER 125 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3knl n ARG 126 N 0.65 1.79 -1.61 -1.46 1.74 -1.26 -4.12 116.66 112.39 3knl n ARG 126 Ca 0.00 -1.23 -0.61 0.00 -0.77 0.00 0.00 57.85 55.24 3knl n ARG 126 Cb 0.00 -1.27 -0.09 0.00 -1.02 0.00 0.00 32.46 30.08 3knl n ARG 126 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3knl n ASN 127 N 0.50 1.61 0.00 0.55 2.85 -1.26 -4.74 115.26 114.78 3knl n ASN 127 Ca 0.12 0.97 0.00 0.00 -0.11 0.00 0.00 54.58 55.56 3knl n ASN 127 Cb 0.29 -1.01 0.00 0.00 1.24 0.00 0.00 39.78 40.30 3knl n ASN 127 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 3knl n PRO 128 N 5.58 0.00 -0.38 1.20 -0.02 -1.26 -0.17 135.00 139.95 3knl n PRO 128 Ca 0.35 0.71 0.32 0.00 -2.02 0.00 0.00 63.50 62.86 3knl n PRO 128 Cb 0.04 -1.38 0.53 0.00 -0.02 0.00 0.00 33.50 32.66 3knl n PRO 128 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3knl n ILE 129 N -2.23 -0.17 -0.06 4.25 5.41 -1.26 0.32 119.36 125.62 3knl n ILE 129 Ca 0.00 1.36 -0.22 0.00 1.00 0.00 0.00 62.75 64.89 3knl n ILE 129 Cb 0.00 -2.23 -0.13 0.00 -0.71 0.00 0.00 39.64 36.58 3knl n ILE 129 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3knl n ASN 130 N -4.15 2.02 0.17 4.38 3.02 -0.90 -2.76 115.26 117.03 3knl n ASN 130 Ca 0.31 0.25 0.11 0.00 -0.03 0.00 0.00 54.58 55.22 3knl n ASN 130 Cb 1.23 -0.84 0.60 0.00 -0.61 0.00 0.00 39.78 40.16 3knl n ASN 130 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3knl n ILE 131 N -3.81 1.02 0.00 2.41 2.08 0.82 0.79 119.36 122.66 3knl n ILE 131 Ca -0.36 0.74 0.00 0.00 0.56 0.00 0.00 62.75 63.70 3knl n ILE 131 Cb 0.92 -1.74 0.00 0.00 -0.75 0.00 0.00 39.64 38.06 3knl n ILE 131 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3knl n ALA 132 N -1.78 0.00 -0.02 -1.39 0.00 0.15 -2.61 120.51 114.86 3knl n ALA 132 Ca -0.01 -0.05 0.23 0.00 0.00 0.00 0.00 53.44 53.61 3knl n ALA 132 Cb 0.04 0.00 0.62 0.00 0.00 0.00 0.00 19.45 20.11 3knl n ALA 132 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3knl h TYR 133 N 0.00 0.00 0.04 0.00 0.05 -1.27 0.92 116.97 116.71 3knl h TYR 133 Ca 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 3knl h TYR 133 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 3knl h TYR 133 CO 0.00 0.00 -0.02 0.00 -1.05 0.00 0.00 178.16 177.09 3knl h ALA 134 N 1.10 -0.06 -0.41 3.88 0.00 0.25 -2.73 119.26 121.29 3knl h ALA 134 Ca 0.31 -0.27 0.07 0.00 0.00 0.00 0.00 54.91 55.02 3knl h ALA 134 Cb 1.81 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.56 3knl h ALA 134 CO -0.00 -0.25 0.07 1.15 0.00 0.00 0.00 179.25 180.21 3knl h THR 135 N -0.62 0.76 -0.00 0.00 2.02 0.11 -1.91 112.91 113.27 3knl h THR 135 Ca -0.01 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.11 3knl h THR 135 Cb 0.55 0.56 -0.00 0.00 -1.74 0.00 0.00 68.15 67.52 3knl h THR 135 CO 0.01 0.03 -0.02 0.24 0.37 0.00 0.00 175.52 176.15 3knl h MET 136 N 0.19 -0.02 -0.85 6.66 2.07 -1.18 -2.37 114.93 119.44 3knl h MET 136 Ca 0.20 0.00 0.27 0.00 -2.07 0.00 0.00 59.70 58.10 3knl h MET 136 Cb 0.26 0.00 -0.16 0.00 -1.87 0.00 0.00 31.60 29.83 3knl h MET 136 CO -0.28 -0.01 0.16 0.39 1.07 0.00 0.00 176.91 178.23 3knl n GLU 137 N -2.66 -0.06 0.08 1.72 -0.58 -0.96 -0.08 120.64 118.09 3knl n GLU 137 Ca -0.00 1.24 -0.08 0.00 -0.42 0.00 0.00 57.16 57.89 3knl n GLU 137 Cb 0.01 -2.04 -0.05 0.00 -0.57 0.00 0.00 31.44 28.80 3knl n GLU 137 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3knl h ALA 138 N 1.69 -0.82 -0.68 0.62 0.00 -0.83 -1.12 119.26 118.11 3knl h ALA 138 Ca 0.58 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.49 3knl h ALA 138 Cb 1.32 0.60 -0.10 0.00 0.00 0.00 0.00 17.79 19.62 3knl h ALA 138 CO -0.75 -0.87 -0.57 -0.07 0.00 0.00 0.00 179.25 176.99 3knl h LEU 139 N -0.40 -1.99 -0.96 0.00 3.38 -0.24 0.87 115.31 115.98 3knl h LEU 139 Ca -0.01 0.28 0.18 0.00 0.09 0.00 0.00 57.88 58.42 3knl h LEU 139 Cb 0.38 0.85 -0.18 0.00 0.09 0.00 0.00 40.66 41.80 3knl h LEU 139 CO -0.10 -0.32 -0.28 -1.14 0.09 0.00 0.00 178.44 176.70 3knl n ARG 140 N -5.28 -0.12 0.00 1.13 0.63 -0.65 0.05 116.66 112.41 3knl n ARG 140 Ca -0.01 1.49 0.00 0.00 -0.92 0.00 0.00 57.85 58.41 3knl n ARG 140 Cb 0.30 -2.23 0.00 0.00 0.45 0.00 0.00 32.46 30.98 3knl n ARG 140 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 3knl n GLN 141 N -5.53 0.99 -2.95 -0.14 6.02 0.29 -4.88 117.38 111.19 3knl n GLN 141 Ca 0.14 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.79 3knl n GLN 141 Cb 0.45 -1.40 -0.07 0.00 1.02 0.00 0.00 30.24 30.25 3knl n GLN 141 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3knl s LEU 142 N 0.00 4.06 -0.01 1.08 1.43 0.11 -5.06 118.68 120.29 3knl s LEU 142 Ca 0.00 1.54 -0.02 0.00 -1.03 0.00 0.00 54.13 54.62 3knl s LEU 142 Cb 0.00 -4.24 0.00 0.00 0.03 0.00 0.00 46.19 41.98 3knl s LEU 142 CO 0.00 -0.24 0.05 -0.13 0.23 0.00 0.00 176.35 176.27 3knl s ARG 143 N -2.87 0.16 0.24 1.70 1.81 -1.26 -4.96 118.95 113.77 3knl s ARG 143 Ca 0.56 -0.08 0.07 0.00 -1.72 0.00 0.00 55.73 54.56 3knl s ARG 143 Cb -0.11 0.07 -0.04 0.00 -0.45 0.00 0.00 34.95 34.42 3knl s ARG 143 CO 0.16 -0.03 0.16 0.95 -0.68 0.00 0.00 175.30 175.87 3knl s THR 144 N -0.37 4.29 0.60 0.02 -4.23 -1.26 -4.42 115.64 110.28 3knl s THR 144 Ca -0.04 -1.45 0.28 0.00 -1.18 0.00 0.00 61.69 59.30 3knl s THR 144 Cb -0.03 -3.30 0.38 0.00 1.34 0.00 0.00 72.50 70.89 3knl s THR 144 CO 0.00 -0.33 1.64 0.11 -0.54 0.00 0.00 174.62 175.50 3knl h LYS 145 N 1.66 0.00 0.00 3.99 1.79 -2.01 -0.37 116.57 121.63 3knl h LYS 145 Ca -0.48 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 3knl h LYS 145 Cb 1.24 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.89 3knl h LYS 145 CO 0.61 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.98 3knl n ALA 146 N -2.28 0.00 0.00 3.86 0.00 -1.26 0.29 120.51 121.12 3knl n ALA 146 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 3knl n ALA 146 Cb 1.03 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.48 3knl n ALA 146 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3knl n ASP 147 N -0.13 0.00 -0.05 0.00 3.85 -1.07 -0.73 116.55 118.41 3knl n ASP 147 Ca 0.00 0.00 -0.04 0.00 -0.71 0.00 0.00 54.79 54.04 3knl n ASP 147 Cb 0.00 0.00 -0.01 0.00 -1.35 0.00 0.00 41.12 39.76 3knl n ASP 147 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.20 176.71 3knl n VAL 148 N -0.76 0.91 -0.06 2.12 0.31 -0.17 -4.09 118.33 116.59 3knl n VAL 148 Ca 0.00 0.30 0.17 0.00 -0.01 0.00 0.00 64.34 64.79 3knl n VAL 148 Cb 0.00 -2.04 0.59 0.00 -0.91 0.00 0.00 33.84 31.48 3knl n VAL 148 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3knl h GLU 149 N -0.62 0.21 -0.29 5.55 4.39 0.15 -2.12 114.58 121.85 3knl h GLU 149 Ca 0.00 -0.01 0.06 0.00 0.34 0.00 0.00 59.36 59.75 3knl h GLU 149 Cb 0.49 -0.05 -0.08 0.00 -0.10 0.00 0.00 28.75 29.01 3knl h GLU 149 CO 0.00 0.14 -0.34 -0.09 -1.16 0.00 0.00 179.01 177.56 3knl h ARG 150 N 0.22 -0.32 -0.84 2.33 2.43 -1.12 -0.58 114.38 116.50 3knl h ARG 150 Ca 0.29 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.48 3knl h ARG 150 Cb 0.84 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 3knl h ARG 150 CO -0.05 -0.21 0.00 1.28 -1.51 0.00 0.00 179.97 179.47 3knl n LEU 151 N -5.41 1.02 -1.27 3.80 4.77 -0.80 -1.04 117.00 118.07 3knl n LEU 151 Ca -0.01 -0.51 0.02 0.00 -0.03 0.00 0.00 56.01 55.48 3knl n LEU 151 Cb 0.34 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 3knl n LEU 151 CO 0.10 0.22 0.14 0.54 -1.33 0.00 0.00 177.39 177.05 3knl n ARG 152 N 0.26 0.00 0.00 3.23 1.74 -0.24 -4.97 116.66 116.68 3knl n ARG 152 Ca 0.00 -1.66 0.00 0.00 -0.77 0.00 0.00 57.85 55.42 3knl n ARG 152 Cb 0.22 0.03 0.00 0.00 -1.02 0.00 0.00 32.46 31.68 3knl n ARG 152 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3knl n LYS 153 N 0.34 0.00 0.00 5.56 4.76 -0.21 -4.97 118.16 123.65 3knl n LYS 153 Ca -0.01 0.17 0.00 0.00 -2.87 0.00 0.00 58.31 55.60 3knl n LYS 153 Cb 1.00 -0.84 0.00 0.00 -1.84 0.00 0.00 35.03 33.35 3knl n LYS 153 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3knl n GLY 154 N -0.51 0.09 0.00 0.72 0.00 -1.26 -5.09 105.19 99.13 3knl n GLY 154 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3knl n GLY 154 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11