#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ke1 n ASP 2 N 0.00 4.91 -4.86 3.17 2.03 -1.26 -4.98 116.55 115.56 3ke1 n ASP 2 Ca 0.00 -3.01 -0.32 0.00 0.52 0.00 0.00 54.79 51.99 3ke1 n ASP 2 Cb 0.00 -1.57 -0.05 0.00 -0.72 0.00 0.00 41.12 38.78 3ke1 n ASP 2 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 3ke1 s PHE 3 N 1.62 3.41 -0.02 -0.67 0.08 -1.26 -0.64 117.98 120.49 3ke1 s PHE 3 Ca 0.43 1.10 -0.07 0.00 0.12 0.00 0.00 56.93 58.50 3ke1 s PHE 3 Cb 0.06 -2.45 0.01 0.00 -0.57 0.00 0.00 43.02 40.07 3ke1 s PHE 3 CO -0.00 0.07 0.16 1.03 -0.10 0.00 0.00 175.22 176.38 3ke1 s ARG 4 N -3.21 0.41 0.13 0.44 1.81 -0.00 -4.95 118.95 113.58 3ke1 s ARG 4 Ca 0.52 -0.18 0.09 0.00 -1.72 0.00 0.00 55.73 54.44 3ke1 s ARG 4 Cb -0.10 0.18 -0.04 0.00 -0.45 0.00 0.00 34.95 34.53 3ke1 s ARG 4 CO 0.22 -0.09 -0.14 0.96 -0.68 0.00 0.00 175.30 175.57 3ke1 s ILE 5 N -0.90 3.04 0.10 1.52 -4.36 -1.26 -1.03 121.20 118.31 3ke1 s ILE 5 Ca -0.10 -1.49 0.02 0.00 -0.26 0.00 0.00 60.65 58.82 3ke1 s ILE 5 Cb -0.05 -2.43 -0.04 0.00 1.25 0.00 0.00 42.46 41.19 3ke1 s ILE 5 CO 0.01 0.05 -0.07 -0.83 0.24 0.00 0.00 174.94 174.34 3ke1 s GLY 6 N -2.32 0.79 0.06 6.27 0.00 0.20 -3.93 107.32 108.38 3ke1 s GLY 6 Ca 0.20 -1.33 0.02 0.00 0.00 0.00 0.00 44.72 43.61 3ke1 s GLY 6 CO 0.12 -1.44 -0.06 -0.86 0.00 0.00 0.00 173.10 170.86 3ke1 s GLN 7 N -3.69 0.59 -0.04 2.90 1.03 -1.26 -1.42 119.66 117.77 3ke1 s GLN 7 Ca 0.11 -0.94 -0.09 0.00 0.04 0.00 0.00 55.36 54.47 3ke1 s GLN 7 Cb 0.04 -0.17 0.02 0.00 0.03 0.00 0.00 33.01 32.92 3ke1 s GLN 7 CO -0.04 0.00 0.22 0.20 -2.54 0.00 0.00 175.29 173.14 3ke1 s GLY 8 N -2.10 -0.10 0.00 2.60 0.00 -0.05 -3.68 107.32 103.99 3ke1 s GLY 8 Ca -0.03 0.35 0.01 0.00 0.00 0.00 0.00 44.72 45.05 3ke1 s GLY 8 CO -0.02 0.22 -0.04 -0.47 0.00 0.00 0.00 173.10 172.78 3ke1 s TYR 9 N -0.65 0.39 -0.07 1.90 5.04 -1.26 -0.53 117.35 122.16 3ke1 s TYR 9 Ca -0.07 -0.12 -0.20 0.00 -2.44 0.00 0.00 57.07 54.24 3ke1 s TYR 9 Cb -0.04 -0.25 0.04 0.00 0.35 0.00 0.00 41.96 42.06 3ke1 s TYR 9 CO 0.02 -0.02 0.46 0.34 -1.34 0.00 0.00 175.55 175.01 3ke1 s ASP 10 N -0.26 -0.41 -0.02 4.32 2.15 -0.55 -4.64 116.67 117.26 3ke1 s ASP 10 Ca 0.00 0.52 -0.04 0.00 0.43 0.00 0.00 52.55 53.46 3ke1 s ASP 10 Cb -0.03 0.57 0.00 0.00 -0.30 0.00 0.00 42.92 43.17 3ke1 s ASP 10 CO -0.00 -0.41 0.10 0.54 -0.17 0.00 0.00 175.17 175.23 3ke1 s VAL 11 N -0.83 0.03 0.04 1.11 0.11 -1.26 -0.39 120.40 119.21 3ke1 s VAL 11 Ca -0.09 -0.28 0.02 0.00 -2.93 0.00 0.00 61.98 58.69 3ke1 s VAL 11 Cb -0.03 -0.24 -0.02 0.00 -1.53 0.00 0.00 36.38 34.55 3ke1 s VAL 11 CO 0.05 -0.16 -0.07 -1.00 -3.33 0.00 0.00 175.10 170.59 3ke1 s HIS 12 N -0.49 0.59 0.43 1.54 3.76 -0.86 -5.00 115.29 115.27 3ke1 s HIS 12 Ca -0.06 -0.52 -0.23 0.00 -0.15 0.00 0.00 55.06 54.10 3ke1 s HIS 12 Cb -0.04 -0.36 -0.08 0.00 1.11 0.00 0.00 32.58 33.21 3ke1 s HIS 12 CO 0.00 -0.11 1.09 -0.65 -0.85 0.00 0.00 174.74 174.23 3ke1 s GLN 13 N -1.63 3.96 -0.32 1.40 -0.21 -1.26 -1.32 119.66 120.27 3ke1 s GLN 13 Ca -0.11 1.60 -0.14 0.00 0.02 0.00 0.00 55.36 56.74 3ke1 s GLN 13 Cb -0.09 -2.43 -0.02 0.00 1.00 0.00 0.00 33.01 31.46 3ke1 s GLN 13 CO -0.00 -0.34 0.29 -0.51 -2.12 0.00 0.00 175.29 172.61 3ke1 s LEU 14 N -2.90 4.36 0.17 2.90 1.43 -0.32 -0.97 118.68 123.35 3ke1 s LEU 14 Ca 0.61 -0.21 0.08 0.00 -1.03 0.00 0.00 54.13 53.58 3ke1 s LEU 14 Cb -0.24 -2.24 -0.04 0.00 0.03 0.00 0.00 46.19 43.70 3ke1 s LEU 14 CO 0.30 -0.24 -0.16 0.68 0.23 0.00 0.00 176.35 177.16 3ke1 s VAL 15 N 1.88 1.70 0.53 -1.59 -7.23 0.80 -4.84 120.40 111.66 3ke1 s VAL 15 Ca 0.09 -1.99 -0.16 0.00 -1.81 0.00 0.00 61.98 58.11 3ke1 s VAL 15 Cb -0.17 -1.86 -0.07 0.00 0.56 0.00 0.00 36.38 34.84 3ke1 s VAL 15 CO 0.11 -0.44 1.00 -2.16 -0.31 0.00 0.00 175.10 173.30 3ke1 s PRO 16 N -3.08 3.85 0.00 4.82 0.04 -1.26 -0.02 135.00 139.35 3ke1 s PRO 16 Ca 0.17 0.96 0.00 0.00 0.04 0.00 0.00 61.00 62.17 3ke1 s PRO 16 Cb -0.04 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.38 3ke1 s PRO 16 CO 0.06 -0.36 0.00 0.41 0.04 0.00 0.00 177.00 177.15 3ke1 n GLY 17 N -1.63 1.22 3.69 0.56 0.00 -1.26 -4.86 105.19 102.91 3ke1 n GLY 17 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 3ke1 n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ke1 s ARG 18 N -0.30 2.99 0.57 1.61 1.81 -1.25 -5.00 118.95 119.37 3ke1 s ARG 18 Ca 0.00 -0.41 -0.17 0.00 -1.72 0.00 0.00 55.73 53.43 3ke1 s ARG 18 Cb 0.00 -2.80 -0.05 0.00 -0.45 0.00 0.00 34.95 31.66 3ke1 s ARG 18 CO 0.00 0.70 1.06 -1.25 -0.68 0.00 0.00 175.30 175.13 3ke1 s PRO 19 N -0.93 3.39 -0.31 3.54 0.04 -1.26 -1.11 135.00 138.36 3ke1 s PRO 19 Ca 0.14 1.28 -0.19 0.00 0.04 0.00 0.00 61.00 62.27 3ke1 s PRO 19 Cb -0.11 -2.04 -0.01 0.00 0.04 0.00 0.00 34.50 32.38 3ke1 s PRO 19 CO 0.03 -0.76 0.56 -1.17 0.04 0.00 0.00 177.00 175.70 3ke1 s LEU 20 N -4.26 4.19 -0.19 -3.56 2.96 -1.25 -3.87 118.68 112.70 3ke1 s LEU 20 Ca 0.65 0.28 -0.01 0.00 -0.22 0.00 0.00 54.13 54.83 3ke1 s LEU 20 Cb -0.17 -2.70 0.05 0.00 0.50 0.00 0.00 46.19 43.87 3ke1 s LEU 20 CO 0.33 -0.44 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.26 3ke1 s ILE 21 N 2.48 1.03 -0.05 6.68 1.01 -1.26 -0.01 121.20 131.08 3ke1 s ILE 21 Ca 0.22 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 60.11 3ke1 s ILE 21 Cb -0.15 -1.34 0.02 0.00 0.01 0.00 0.00 42.46 41.00 3ke1 s ILE 21 CO 0.12 -0.05 -0.06 -0.63 0.00 0.00 0.00 174.94 174.32 3ke1 s ILE 22 N 1.64 0.65 -1.37 2.92 1.01 -0.90 -4.30 121.20 120.85 3ke1 s ILE 22 Ca -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.46 3ke1 s ILE 22 Cb -0.17 -0.66 0.00 0.00 0.01 0.00 0.00 42.46 41.64 3ke1 s ILE 22 CO -0.07 0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.73 3ke1 n GLY 23 N 4.11 0.30 3.18 6.18 0.00 -1.26 -1.65 105.19 116.05 3ke1 n GLY 23 Ca -0.23 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.52 3ke1 n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ke1 n GLY 24 N -1.05 1.11 3.66 -0.02 0.00 -1.26 -4.40 105.19 103.21 3ke1 n GLY 24 Ca -0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 3ke1 n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ke1 s VAL 25 N -3.41 5.12 -0.36 1.61 1.01 -0.66 -5.04 120.40 118.68 3ke1 s VAL 25 Ca 0.00 0.88 -0.28 0.00 0.00 0.00 0.00 61.98 62.58 3ke1 s VAL 25 Cb 0.00 -3.81 0.02 0.00 0.00 0.00 0.00 36.38 32.59 3ke1 s VAL 25 CO 0.00 0.18 1.02 -0.89 0.00 0.00 0.00 175.10 175.41 3ke1 s THR 26 N 1.66 4.50 -0.23 3.92 2.01 -1.26 -2.11 115.64 124.13 3ke1 s THR 26 Ca 0.22 1.42 -0.08 0.00 0.31 0.00 0.00 61.69 63.56 3ke1 s THR 26 Cb -0.15 -4.41 -0.04 0.00 0.01 0.00 0.00 72.50 67.91 3ke1 s THR 26 CO 0.09 -0.58 0.09 -0.63 -0.69 0.00 0.00 174.62 172.90 3ke1 s ILE 27 N 3.69 4.73 0.02 1.82 1.01 0.98 -5.01 121.20 128.45 3ke1 s ILE 27 Ca 0.42 -0.04 -0.35 0.00 0.00 0.00 0.00 60.65 60.69 3ke1 s ILE 27 Cb -0.11 -3.19 -0.13 0.00 0.01 0.00 0.00 42.46 39.04 3ke1 s ILE 27 CO 0.19 0.37 1.71 -2.65 0.00 0.00 0.00 174.94 174.56 3ke1 n PRO 28 N 4.37 2.04 0.00 2.79 -0.02 -1.26 -4.19 135.00 138.74 3ke1 n PRO 28 Ca -0.16 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 3ke1 n PRO 28 Cb 0.52 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 3ke1 n PRO 28 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 3ke1 n TYR 29 N 4.95 0.00 1.51 6.00 9.36 -1.26 -4.99 117.16 132.73 3ke1 n TYR 29 Ca 0.20 0.00 0.14 0.00 3.32 0.00 0.00 57.90 61.56 3ke1 n TYR 29 Cb 0.28 0.00 0.77 0.00 -0.63 0.00 0.00 39.34 39.75 3ke1 n TYR 29 CO 0.00 0.00 0.00 -0.85 0.22 0.00 0.00 176.86 176.23 3ke1 n GLU 30 N -0.07 0.58 -4.20 2.98 0.28 -1.26 -4.70 120.64 114.26 3ke1 n GLU 30 Ca 0.00 0.01 -0.12 0.00 -0.16 0.00 0.00 57.16 56.90 3ke1 n GLU 30 Cb 0.00 -1.50 -0.10 0.00 1.43 0.00 0.00 31.44 31.27 3ke1 n GLU 30 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 3ke1 s ARG 31 N -2.37 1.04 0.35 3.44 0.52 -1.26 -4.09 118.95 116.58 3ke1 s ARG 31 Ca 0.33 -1.51 0.00 0.00 -0.52 0.00 0.00 55.73 54.03 3ke1 s ARG 31 Cb 0.19 0.00 -0.00 0.00 0.52 0.00 0.00 34.95 35.66 3ke1 s ARG 31 CO 0.40 -0.21 0.44 0.20 0.02 0.00 0.00 175.30 176.14 3ke1 s GLY 32 N -3.12 1.74 0.16 -3.53 0.00 0.98 -3.76 107.32 99.80 3ke1 s GLY 32 Ca 0.25 -1.68 -0.24 0.00 0.00 0.00 0.00 44.72 43.06 3ke1 s GLY 32 CO 0.04 -1.12 0.74 1.08 0.00 0.00 0.00 173.10 173.84 3ke1 s LEU 33 N -3.28 4.55 -0.18 0.66 1.43 -1.25 -0.14 118.68 120.46 3ke1 s LEU 33 Ca 0.33 1.57 -0.14 0.00 -1.03 0.00 0.00 54.13 54.85 3ke1 s LEU 33 Cb 0.00 -3.30 -0.04 0.00 0.03 0.00 0.00 46.19 42.88 3ke1 s LEU 33 CO 0.23 0.19 0.32 -0.22 0.23 0.00 0.00 176.35 177.10 3ke1 s LEU 34 N -1.28 4.20 0.07 1.79 2.96 -0.15 -4.72 118.68 121.55 3ke1 s LEU 34 Ca 0.36 0.48 -0.28 0.00 -0.22 0.00 0.00 54.13 54.48 3ke1 s LEU 34 Cb -0.22 -2.41 0.09 0.00 0.50 0.00 0.00 46.19 44.16 3ke1 s LEU 34 CO 0.24 0.03 1.13 -0.83 -1.32 0.00 0.00 176.35 175.60 3ke1 s GLY 35 N 0.73 -0.32 0.28 7.98 0.00 -1.26 -4.35 107.32 110.37 3ke1 s GLY 35 Ca 0.17 0.41 0.01 0.00 0.00 0.00 0.00 44.72 45.31 3ke1 s GLY 35 CO 0.06 0.06 1.75 0.45 0.00 0.00 0.00 173.10 175.42 3ke1 h HIS 36 N 2.00 0.65 -0.32 1.90 -0.00 -2.00 -3.44 115.15 113.94 3ke1 h HIS 36 Ca -0.27 -0.11 0.00 0.00 -0.00 0.00 0.00 60.37 59.99 3ke1 h HIS 36 Cb 1.22 -0.17 0.00 0.00 -0.00 0.00 0.00 27.41 28.46 3ke1 h HIS 36 CO 0.35 0.71 0.00 -1.13 -0.00 0.00 0.00 177.93 177.86 3ke1 n SER 37 N -4.17 0.00 -0.06 2.45 3.41 -1.26 -4.37 113.62 109.61 3ke1 n SER 37 Ca 0.01 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.77 3ke1 n SER 37 Cb 0.35 0.00 0.77 0.00 -0.26 0.00 0.00 64.21 65.07 3ke1 n SER 37 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3ke1 n ASP 38 N 0.00 0.23 -2.98 4.04 5.68 -0.86 -4.61 116.55 118.04 3ke1 n ASP 38 Ca 0.00 -0.65 -0.22 0.00 -0.50 0.00 0.00 54.79 53.42 3ke1 n ASP 38 Cb 0.00 -0.11 0.04 0.00 -1.14 0.00 0.00 41.12 39.91 3ke1 n ASP 38 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ke1 n ALA 39 N -1.00 -0.97 -2.05 2.12 0.00 -1.26 -4.79 120.51 112.57 3ke1 n ALA 39 Ca 0.18 0.29 -0.35 0.00 0.00 0.00 0.00 53.44 53.56 3ke1 n ALA 39 Cb 0.21 -3.91 -0.04 0.00 0.00 0.00 0.00 19.45 15.72 3ke1 n ALA 39 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3ke1 s ASP 40 N -2.72 5.25 0.32 0.00 -1.08 -1.26 -4.82 116.67 112.35 3ke1 s ASP 40 Ca 0.30 0.04 0.00 0.00 -0.52 0.00 0.00 52.55 52.38 3ke1 s ASP 40 Cb -0.13 -2.54 0.51 0.00 -1.46 0.00 0.00 42.92 39.30 3ke1 s ASP 40 CO 0.38 -2.47 1.94 1.62 0.52 0.00 0.00 175.17 177.16 3ke1 h VAL 41 N 6.98 1.20 -0.11 1.11 3.04 -1.91 -1.25 116.25 125.32 3ke1 h VAL 41 Ca -0.16 -0.49 -0.05 0.00 -1.01 0.00 0.00 66.70 64.99 3ke1 h VAL 41 Cb 1.12 0.33 -0.00 0.00 -2.01 0.00 0.00 31.29 30.72 3ke1 h VAL 41 CO 1.22 0.22 -0.12 0.25 -1.01 0.00 0.00 177.57 178.12 3ke1 h LEU 42 N 0.90 0.29 -1.02 3.16 5.85 -1.90 -2.38 115.31 120.21 3ke1 h LEU 42 Ca 0.23 -0.50 -0.02 0.00 0.84 0.00 0.00 57.88 58.42 3ke1 h LEU 42 Cb 0.03 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 3ke1 h LEU 42 CO -0.04 0.74 0.37 -0.07 -0.34 0.00 0.00 178.44 179.09 3ke1 h LEU 43 N -0.15 0.96 -0.15 2.25 3.38 -1.89 -1.89 115.31 117.83 3ke1 h LEU 43 Ca 0.01 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3ke1 h LEU 43 Cb 0.66 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3ke1 h LEU 43 CO 0.03 0.80 0.10 0.45 0.09 0.00 0.00 178.44 179.91 3ke1 h HIS 44 N 1.06 0.19 -0.41 1.13 3.86 -1.20 0.56 115.15 120.33 3ke1 h HIS 44 Ca 0.26 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.50 3ke1 h HIS 44 Cb 0.09 -0.06 -0.03 0.00 1.06 0.00 0.00 27.41 28.46 3ke1 h HIS 44 CO 0.01 0.13 0.21 0.00 0.86 0.00 0.00 177.93 179.13 3ke1 h ALA 45 N 1.05 0.51 -0.66 2.45 0.00 -1.23 -1.17 119.26 120.20 3ke1 h ALA 45 Ca 0.05 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3ke1 h ALA 45 Cb -0.01 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3ke1 h ALA 45 CO -0.01 -0.15 0.38 0.82 0.00 0.00 0.00 179.25 180.29 3ke1 h ILE 46 N 0.42 1.20 -0.33 0.00 2.04 -1.18 -0.83 117.51 118.83 3ke1 h ILE 46 Ca 0.17 -0.45 0.03 0.00 1.00 0.00 0.00 64.86 65.62 3ke1 h ILE 46 Cb 0.08 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 36.43 3ke1 h ILE 46 CO -0.12 0.21 0.12 0.74 0.00 0.00 0.00 178.15 179.10 3ke1 h THR 47 N 0.89 0.92 -0.27 -0.27 2.02 -0.63 -0.89 112.91 114.69 3ke1 h THR 47 Ca 0.23 -0.09 0.03 0.00 0.77 0.00 0.00 66.41 67.35 3ke1 h THR 47 Cb -0.01 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 67.01 3ke1 h THR 47 CO -0.04 0.05 0.10 0.44 0.37 0.00 0.00 175.52 176.44 3ke1 h ASP 48 N 0.27 0.12 -0.78 4.18 5.19 -1.08 -0.21 116.42 124.11 3ke1 h ASP 48 Ca 0.14 0.03 0.07 0.00 -0.62 0.00 0.00 57.03 56.65 3ke1 h ASP 48 Cb 0.11 0.01 -0.05 0.00 0.18 0.00 0.00 39.33 39.58 3ke1 h ASP 48 CO -0.14 0.10 0.51 0.00 -3.12 0.00 0.00 179.24 176.59 3ke1 h ALA 49 N 1.17 1.66 -0.10 3.45 0.00 -0.71 0.18 119.26 124.91 3ke1 h ALA 49 Ca 0.12 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 3ke1 h ALA 49 Cb 0.08 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3ke1 h ALA 49 CO -0.11 0.22 -0.39 -0.07 0.00 0.00 0.00 179.25 178.89 3ke1 h LEU 50 N 0.83 0.51 -1.16 0.00 3.38 -0.70 -0.95 115.31 117.21 3ke1 h LEU 50 Ca 0.34 -0.63 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 3ke1 h LEU 50 Cb 0.26 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3ke1 h LEU 50 CO -0.12 1.06 0.32 -0.26 0.09 0.00 0.00 178.44 179.52 3ke1 h PHE 51 N 0.00 0.89 -0.33 1.13 0.04 -0.87 -2.66 116.94 115.14 3ke1 h PHE 51 Ca -0.02 -0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.66 3ke1 h PHE 51 Cb 1.03 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.89 3ke1 h PHE 51 CO 0.12 0.64 -0.05 0.78 -0.60 0.00 0.00 178.31 179.20 3ke1 h GLY 52 N 0.98 0.66 0.25 -1.45 0.00 -0.81 0.20 103.07 102.89 3ke1 h GLY 52 Ca 0.22 -0.53 0.14 0.00 0.00 0.00 0.00 47.33 47.17 3ke1 h GLY 52 CO -0.03 0.48 0.40 0.00 0.00 0.00 0.00 176.54 177.39 3ke1 h ALA 53 N 0.82 1.20 -0.05 3.60 0.00 -1.06 -1.45 119.26 122.32 3ke1 h ALA 53 Ca 0.09 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3ke1 h ALA 53 Cb 0.53 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3ke1 h ALA 53 CO 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.17 3ke1 n ALA 54 N -2.44 2.57 -3.80 0.00 0.00 -1.01 -4.61 120.51 111.22 3ke1 n ALA 54 Ca 0.16 -0.44 -0.25 0.00 0.00 0.00 0.00 53.44 52.91 3ke1 n ALA 54 Cb 0.41 -1.18 0.03 0.00 0.00 0.00 0.00 19.45 18.71 3ke1 n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ke1 n ALA 55 N 0.09 -1.70 -0.95 0.00 0.00 -0.55 -4.89 120.51 112.50 3ke1 n ALA 55 Ca 0.19 -0.01 0.08 0.00 0.00 0.00 0.00 53.44 53.69 3ke1 n ALA 55 Cb 0.32 -3.02 0.33 0.00 0.00 0.00 0.00 19.45 17.08 3ke1 n ALA 55 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3ke1 n LEU 56 N -4.46 4.77 0.00 0.00 4.77 0.60 -5.03 117.00 117.65 3ke1 n LEU 56 Ca -0.16 -2.98 0.00 0.00 -0.03 0.00 0.00 56.01 52.84 3ke1 n LEU 56 Cb 0.61 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3ke1 n LEU 56 CO 0.72 0.65 0.00 0.61 -1.33 0.00 0.00 177.39 178.04 3ke1 n GLY 57 N 0.02 0.82 3.50 -0.72 0.00 -1.25 -4.93 105.19 102.63 3ke1 n GLY 57 Ca 0.24 -0.86 -0.14 0.00 0.00 0.00 0.00 46.02 45.27 3ke1 n GLY 57 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3ke1 s ASP 58 N -4.00 0.71 0.30 1.61 1.47 -1.26 -4.00 116.67 111.51 3ke1 s ASP 58 Ca 0.00 -1.39 0.03 0.00 1.18 0.00 0.00 52.55 52.37 3ke1 s ASP 58 Cb 0.00 0.64 0.49 0.00 -0.34 0.00 0.00 42.92 43.71 3ke1 s ASP 58 CO 0.00 -1.27 1.79 -0.29 0.68 0.00 0.00 175.17 176.09 3ke1 h ILE 59 N 2.15 1.23 -0.13 2.11 2.10 -1.92 -2.60 117.51 120.46 3ke1 h ILE 59 Ca -0.28 -1.03 -0.12 0.00 1.08 0.00 0.00 64.86 64.50 3ke1 h ILE 59 Cb 1.24 1.13 -0.01 0.00 -1.09 0.00 0.00 36.82 38.09 3ke1 h ILE 59 CO 0.39 0.34 -0.45 1.23 -1.08 0.00 0.00 178.15 178.58 3ke1 h GLY 60 N 0.93 0.36 0.76 8.18 0.00 -1.97 0.18 103.07 111.50 3ke1 h GLY 60 Ca 0.09 -0.37 0.05 0.00 0.00 0.00 0.00 47.33 47.11 3ke1 h GLY 60 CO 0.03 0.33 0.52 -0.09 0.00 0.00 0.00 176.54 177.33 3ke1 h ARG 61 N 0.27 0.94 0.00 4.80 2.43 -1.86 -3.29 114.38 117.67 3ke1 h ARG 61 Ca 0.02 -0.06 -0.30 0.00 -0.81 0.00 0.00 59.98 58.83 3ke1 h ARG 61 Cb 0.91 -0.21 -0.05 0.00 -0.42 0.00 0.00 29.97 30.19 3ke1 h ARG 61 CO 0.07 0.63 -1.82 0.72 -1.51 0.00 0.00 179.97 178.06 3ke1 n HIS 62 N -4.62 0.81 -3.10 2.20 8.25 -1.01 -5.05 115.22 112.71 3ke1 n HIS 62 Ca 0.12 0.29 0.00 0.00 -0.26 0.00 0.00 57.72 57.87 3ke1 n HIS 62 Cb 0.15 -1.14 0.00 0.00 1.12 0.00 0.00 29.99 30.12 3ke1 n HIS 62 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3ke1 n PHE 63 N -2.98 0.00 0.00 4.41 3.72 0.02 -5.12 117.46 117.51 3ke1 n PHE 63 Ca -0.19 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.21 3ke1 n PHE 63 Cb 1.06 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.60 3ke1 n PHE 63 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ke1 n ALA 73 N -3.00 0.00 -2.06 4.37 0.00 -1.26 -4.76 120.51 113.79 3ke1 n ALA 73 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 3ke1 n ALA 73 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 3ke1 n ALA 73 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3ke1 s ASP 74 N 0.00 6.35 0.54 0.00 -1.08 -1.26 -2.03 116.67 119.18 3ke1 s ASP 74 Ca 0.00 1.71 0.29 0.00 -0.52 0.00 0.00 52.55 54.03 3ke1 s ASP 74 Cb 0.00 -2.53 1.53 0.00 -1.46 0.00 0.00 42.92 40.46 3ke1 s ASP 74 CO 0.00 -1.27 2.09 0.28 0.52 0.00 0.00 175.17 176.79 3ke1 h SER 75 N 10.89 0.00 -0.48 -0.34 0.02 -1.97 -2.25 113.55 119.42 3ke1 h SER 75 Ca -0.35 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.52 3ke1 h SER 75 Cb 1.16 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.68 3ke1 h SER 75 CO 0.99 0.10 -0.00 0.03 -1.14 0.00 0.00 176.83 176.81 3ke1 h ARG 76 N 0.00 0.85 -0.83 3.45 3.08 -1.98 0.15 114.38 119.11 3ke1 h ARG 76 Ca -0.00 -0.27 -0.04 0.00 0.07 0.00 0.00 59.98 59.74 3ke1 h ARG 76 Cb 0.31 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.25 3ke1 h ARG 76 CO 0.01 0.90 0.37 0.00 -1.07 0.00 0.00 179.97 180.18 3ke1 h ALA 77 N 0.92 1.08 -0.48 0.04 0.00 -1.83 0.18 119.26 119.18 3ke1 h ALA 77 Ca 0.14 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3ke1 h ALA 77 Cb 0.52 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3ke1 h ALA 77 CO 0.03 0.67 0.20 -0.07 0.00 0.00 0.00 179.25 180.08 3ke1 h LEU 78 N 1.19 0.66 -0.34 0.00 3.38 -1.20 -1.28 115.31 117.72 3ke1 h LEU 78 Ca 0.28 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 58.11 3ke1 h LEU 78 Cb 0.17 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3ke1 h LEU 78 CO -0.03 0.64 0.19 0.25 0.09 0.00 0.00 178.44 179.58 3ke1 h LEU 79 N 0.64 0.31 -0.83 1.67 5.85 -0.27 0.12 115.31 122.80 3ke1 h LEU 79 Ca 0.16 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 3ke1 h LEU 79 Cb 0.18 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 3ke1 h LEU 79 CO -0.02 0.23 0.39 0.03 -0.34 0.00 0.00 178.44 178.73 3ke1 h ARG 80 N 0.40 1.20 -0.52 1.25 3.08 -0.80 -0.69 114.38 118.29 3ke1 h ARG 80 Ca 0.14 -0.18 -0.09 0.00 0.07 0.00 0.00 59.98 59.91 3ke1 h ARG 80 Cb 0.01 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.83 3ke1 h ARG 80 CO -0.07 0.93 -0.03 1.49 -1.07 0.00 0.00 179.97 181.21 3ke1 h GLU 81 N 1.18 0.94 -0.34 0.04 4.57 -0.88 -0.03 114.58 120.07 3ke1 h GLU 81 Ca 0.28 -0.32 0.06 0.00 -1.18 0.00 0.00 59.36 58.21 3ke1 h GLU 81 Cb 0.13 -0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 28.59 3ke1 h GLU 81 CO -0.03 0.98 -0.04 0.00 -1.18 0.00 0.00 179.01 178.73 3ke1 h ALA 83 N 1.31 0.86 -0.56 0.00 0.00 -0.92 0.14 119.26 120.09 3ke1 h ALA 83 Ca 0.16 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.00 3ke1 h ALA 83 Cb 0.24 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3ke1 h ALA 83 CO -0.31 0.38 0.31 1.03 0.00 0.00 0.00 179.25 180.66 3ke1 h SER 84 N 0.92 0.48 -0.29 0.00 0.87 -0.53 0.52 113.55 115.51 3ke1 h SER 84 Ca 0.24 0.02 -0.16 0.00 -1.23 0.00 0.00 61.79 60.66 3ke1 h SER 84 Cb 0.04 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 3ke1 h SER 84 CO -0.04 0.33 -0.40 0.03 -0.53 0.00 0.00 176.83 176.22 3ke1 h ARG 85 N 0.61 0.85 -0.51 2.24 3.08 -0.32 0.02 114.38 120.35 3ke1 h ARG 85 Ca 0.24 -0.45 0.02 0.00 0.07 0.00 0.00 59.98 59.86 3ke1 h ARG 85 Cb 0.10 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 3ke1 h ARG 85 CO -0.14 1.09 0.31 0.28 -1.07 0.00 0.00 179.97 180.43 3ke1 h VAL 86 N 0.69 1.06 -0.76 2.04 2.07 -0.55 -0.68 116.25 120.12 3ke1 h VAL 86 Ca 0.05 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 3ke1 h VAL 86 Cb 0.97 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 3ke1 h VAL 86 CO 0.09 0.11 0.37 0.00 0.02 0.00 0.00 177.57 178.16 3ke1 h ALA 87 N 1.22 1.22 -0.08 1.67 0.00 -0.64 -2.48 119.26 120.17 3ke1 h ALA 87 Ca 0.20 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 3ke1 h ALA 87 Cb 0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3ke1 h ALA 87 CO -0.09 0.60 -0.49 0.37 0.00 0.00 0.00 179.25 179.64 3ke1 h GLN 88 N 1.07 0.21 0.00 0.00 5.75 -0.43 -1.64 115.11 120.07 3ke1 h GLN 88 Ca 0.26 -0.12 0.00 0.00 -0.15 0.00 0.00 58.65 58.64 3ke1 h GLN 88 Cb 0.10 0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.66 3ke1 h GLN 88 CO -0.03 0.66 0.00 0.00 -2.65 0.00 0.00 178.83 176.81 3ke1 n ALA 89 N -2.47 1.58 0.00 3.38 0.00 -0.31 -4.89 120.51 117.80 3ke1 n ALA 89 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3ke1 n ALA 89 Cb 0.53 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.78 3ke1 n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ke1 n GLY 90 N -0.20 1.11 3.71 0.00 0.00 -0.62 -5.02 105.19 104.17 3ke1 n GLY 90 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 3ke1 n GLY 90 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ke1 s PHE 91 N -2.00 3.21 -0.12 1.61 0.08 -0.95 -0.17 117.98 119.64 3ke1 s PHE 91 Ca 0.00 0.23 -0.07 0.00 0.12 0.00 0.00 56.93 57.21 3ke1 s PHE 91 Cb 0.00 -1.80 -0.04 0.00 -0.57 0.00 0.00 43.02 40.60 3ke1 s PHE 91 CO 0.00 0.50 0.15 0.00 -0.10 0.00 0.00 175.22 175.77 3ke1 s ALA 92 N -0.90 3.87 -0.04 5.36 0.00 0.44 -3.82 121.76 126.67 3ke1 s ALA 92 Ca 0.14 -0.63 -0.29 0.00 0.00 0.00 0.00 51.96 51.18 3ke1 s ALA 92 Cb -0.11 -1.99 -0.03 0.00 0.00 0.00 0.00 23.12 20.99 3ke1 s ALA 92 CO 0.03 0.60 0.93 0.42 0.00 0.00 0.00 175.76 177.74 3ke1 s ILE 93 N -1.00 4.88 -0.22 0.00 1.01 -1.26 -0.87 121.20 123.74 3ke1 s ILE 93 Ca 0.15 1.93 -0.05 0.00 0.00 0.00 0.00 60.65 62.69 3ke1 s ILE 93 Cb -0.12 -4.26 -0.19 0.00 0.01 0.00 0.00 42.46 37.89 3ke1 s ILE 93 CO 0.04 0.13 -0.03 0.54 0.00 0.00 0.00 174.94 175.63 3ke1 n ARG 94 N 4.19 0.67 -3.47 2.79 5.12 0.00 -4.96 116.66 121.00 3ke1 n ARG 94 Ca 0.05 0.23 -0.11 0.00 -1.93 0.00 0.00 57.85 56.09 3ke1 n ARG 94 Cb 0.50 -1.59 -0.03 0.00 -1.16 0.00 0.00 32.46 30.19 3ke1 n ARG 94 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3ke1 s ASN 95 N -6.84 -0.50 -0.03 0.55 4.22 -1.08 -4.85 114.94 106.41 3ke1 s ASN 95 Ca -0.31 0.11 0.03 0.00 -2.14 0.00 0.00 52.86 50.55 3ke1 s ASN 95 Cb 0.09 0.50 0.00 0.00 1.28 0.00 0.00 41.25 43.12 3ke1 s ASN 95 CO 0.64 -0.77 -0.11 -0.69 -2.04 0.00 0.00 177.10 174.12 3ke1 s VAL 96 N -3.06 0.98 0.17 3.54 1.01 -0.66 -1.69 120.40 120.70 3ke1 s VAL 96 Ca 0.01 -0.46 0.05 0.00 0.00 0.00 0.00 61.98 61.58 3ke1 s VAL 96 Cb -0.01 -0.87 -0.05 0.00 0.00 0.00 0.00 36.38 35.46 3ke1 s VAL 96 CO -0.08 0.30 -0.10 -0.62 0.00 0.00 0.00 175.10 174.60 3ke1 s ASP 97 N 0.19 2.04 -0.04 3.32 2.15 -0.41 -1.02 116.67 122.90 3ke1 s ASP 97 Ca -0.04 -1.04 -0.30 0.00 0.43 0.00 0.00 52.55 51.60 3ke1 s ASP 97 Cb -0.10 -0.05 0.11 0.00 -0.30 0.00 0.00 42.92 42.58 3ke1 s ASP 97 CO 0.01 -0.31 0.95 -0.94 -0.17 0.00 0.00 175.17 174.72 3ke1 s SER 98 N -3.23 -0.31 -0.02 -0.34 1.04 -0.98 -1.13 113.70 108.73 3ke1 s SER 98 Ca 0.20 -0.01 0.01 0.00 0.48 0.00 0.00 55.95 56.62 3ke1 s SER 98 Cb 0.02 0.34 0.01 0.00 0.10 0.00 0.00 66.02 66.49 3ke1 s SER 98 CO 0.03 -0.55 -0.01 -0.89 0.98 0.00 0.00 173.24 172.80 3ke1 s THR 99 N -2.99 0.20 -0.16 2.02 2.01 -0.35 -1.07 115.64 115.31 3ke1 s THR 99 Ca 0.06 -0.01 -0.05 0.00 0.31 0.00 0.00 61.69 62.00 3ke1 s THR 99 Cb -0.01 -0.24 -0.03 0.00 0.01 0.00 0.00 72.50 72.22 3ke1 s THR 99 CO -0.08 0.11 0.01 -0.63 -0.69 0.00 0.00 174.62 173.34 3ke1 s ILE 100 N 0.53 4.37 -0.31 1.82 1.01 0.75 -1.03 121.20 128.35 3ke1 s ILE 100 Ca -0.05 -0.19 -0.05 0.00 0.00 0.00 0.00 60.65 60.35 3ke1 s ILE 100 Cb -0.08 -2.93 0.03 0.00 0.01 0.00 0.00 42.46 39.49 3ke1 s ILE 100 CO -0.01 0.50 0.06 -0.63 0.00 0.00 0.00 174.94 174.86 3ke1 s ILE 101 N 0.15 3.60 -0.12 2.92 1.01 -0.01 -0.37 121.20 128.38 3ke1 s ILE 101 Ca 0.02 -1.01 -0.11 0.00 0.00 0.00 0.00 60.65 59.54 3ke1 s ILE 101 Cb -0.13 -2.96 0.03 0.00 0.01 0.00 0.00 42.46 39.42 3ke1 s ILE 101 CO 0.02 -0.03 0.33 0.00 0.00 0.00 0.00 174.94 175.25 3ke1 s ALA 102 N 1.40 -0.81 0.15 9.38 0.00 -0.39 -2.13 121.76 129.36 3ke1 s ALA 102 Ca -0.01 0.93 -0.07 0.00 0.00 0.00 0.00 51.96 52.81 3ke1 s ALA 102 Cb -0.18 -0.54 -0.01 0.00 0.00 0.00 0.00 23.12 22.39 3ke1 s ALA 102 CO 0.01 -0.16 1.42 0.37 0.00 0.00 0.00 175.76 177.40 3ke1 h GLN 103 N 5.63 0.64 -3.10 0.00 -0.00 -1.85 -3.36 115.11 113.08 3ke1 h GLN 103 Ca -0.26 -0.46 -0.02 0.00 -0.00 0.00 0.00 58.65 57.90 3ke1 h GLN 103 Cb 1.19 0.08 -0.12 0.00 0.00 0.00 0.00 27.48 28.63 3ke1 h GLN 103 CO 0.30 1.08 0.14 0.00 0.00 0.00 0.00 178.83 180.36 3ke1 s ALA 104 N -3.87 -1.40 0.96 3.38 0.00 -1.26 -4.83 121.76 114.74 3ke1 s ALA 104 Ca -0.08 0.28 -0.10 0.00 0.00 0.00 0.00 51.96 52.05 3ke1 s ALA 104 Cb 0.10 0.85 0.15 0.00 0.00 0.00 0.00 23.12 24.22 3ke1 s ALA 104 CO 0.87 -0.77 0.91 -0.35 0.00 0.00 0.00 175.76 176.42 3ke1 n PRO 105 N -0.35 -0.80 -1.69 0.00 -0.04 -1.26 -5.04 135.00 125.82 3ke1 n PRO 105 Ca -0.15 -1.51 -0.42 0.00 -0.04 0.00 0.00 63.50 61.38 3ke1 n PRO 105 Cb 0.64 -0.91 -0.03 0.00 -0.04 0.00 0.00 33.50 33.16 3ke1 n PRO 105 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 3ke1 s LYS 106 N -4.97 4.06 0.09 0.54 0.00 -1.26 -4.88 119.74 113.33 3ke1 s LYS 106 Ca 0.52 2.54 0.22 0.00 0.00 0.00 0.00 55.97 59.26 3ke1 s LYS 106 Cb -0.02 -4.17 -0.16 0.00 0.00 0.00 0.00 37.83 33.48 3ke1 s LYS 106 CO 0.37 -1.04 0.77 1.28 0.00 0.00 0.00 175.35 176.73 3ke1 n LEU 107 N 7.84 0.45 -0.25 2.77 4.77 -1.26 -4.53 117.00 126.78 3ke1 n LEU 107 Ca 0.20 0.17 0.06 0.00 -0.03 0.00 0.00 56.01 56.41 3ke1 n LEU 107 Cb 0.41 -0.03 0.17 0.00 -2.33 0.00 0.00 43.42 41.65 3ke1 n LEU 107 CO 0.67 -0.09 0.86 0.00 -1.33 0.00 0.00 177.39 177.51 3ke1 h ALA 108 N 1.99 0.86 0.00 -1.18 0.00 -1.99 0.93 119.26 119.86 3ke1 h ALA 108 Ca -0.01 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3ke1 h ALA 108 Cb 1.02 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.16 3ke1 h ALA 108 CO 0.00 -0.40 0.00 -2.30 0.00 0.00 0.00 179.25 176.55 3ke1 n PRO 109 N -5.28 0.13 0.00 0.00 -0.02 -1.26 -2.69 135.00 125.88 3ke1 n PRO 109 Ca 0.14 0.57 0.05 0.00 -2.02 0.00 0.00 63.50 62.24 3ke1 n PRO 109 Cb 0.48 -1.88 -0.05 0.00 -0.02 0.00 0.00 33.50 32.03 3ke1 n PRO 109 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3ke1 n HIS 110 N -2.16 0.00 -0.02 6.00 8.25 0.28 -4.72 115.22 122.84 3ke1 n HIS 110 Ca -0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.35 3ke1 n HIS 110 Cb 0.07 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.14 3ke1 n HIS 110 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3ke1 h ILE 111 N 0.29 1.02 -0.68 1.59 1.08 -1.23 -2.28 117.51 117.30 3ke1 h ILE 111 Ca 0.00 -0.07 0.00 0.00 -0.39 0.00 0.00 64.86 64.41 3ke1 h ILE 111 Cb 0.28 0.81 -0.03 0.00 -3.07 0.00 0.00 36.82 34.81 3ke1 h ILE 111 CO 0.00 0.04 0.44 0.44 -0.69 0.00 0.00 178.15 178.38 3ke1 h ASP 112 N 0.19 0.79 -0.58 1.72 3.32 -1.85 -0.91 116.42 119.12 3ke1 h ASP 112 Ca 0.06 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.02 3ke1 h ASP 112 Cb -0.01 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 3ke1 h ASP 112 CO -0.02 0.58 0.12 0.00 -1.72 0.00 0.00 179.24 178.20 3ke1 h ALA 113 N 1.56 0.76 -0.05 3.45 0.00 -1.81 -1.29 119.26 121.87 3ke1 h ALA 113 Ca 0.25 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3ke1 h ALA 113 Cb -0.09 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 3ke1 h ALA 113 CO -0.05 0.48 0.02 0.52 0.00 0.00 0.00 179.25 180.23 3ke1 h MET 114 N 0.84 0.05 -0.70 0.00 2.86 -0.81 -1.41 114.93 115.76 3ke1 h MET 114 Ca 0.18 -0.00 0.12 0.00 -2.06 0.00 0.00 59.70 57.93 3ke1 h MET 114 Cb 0.38 -0.01 -0.08 0.00 0.06 0.00 0.00 31.60 31.94 3ke1 h MET 114 CO 0.01 0.04 0.29 -0.09 1.06 0.00 0.00 176.91 178.21 3ke1 h ARG 115 N 0.05 0.45 -0.61 1.72 2.43 -1.04 -1.68 114.38 115.71 3ke1 h ARG 115 Ca 0.02 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.08 3ke1 h ARG 115 Cb 0.00 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 3ke1 h ARG 115 CO -0.01 0.30 0.06 0.00 -1.51 0.00 0.00 179.97 178.81 3ke1 h ALA 116 N 1.49 0.81 -0.34 2.80 0.00 -0.86 -0.77 119.26 122.38 3ke1 h ALA 116 Ca 0.37 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3ke1 h ALA 116 Cb 0.50 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3ke1 h ALA 116 CO -0.35 0.59 0.18 -0.91 0.00 0.00 0.00 179.25 178.76 3ke1 h ASN 117 N 0.93 0.44 -0.28 0.00 2.35 -0.62 -1.63 115.58 116.77 3ke1 h ASN 117 Ca 0.18 -0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 55.79 3ke1 h ASN 117 Cb 0.47 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 3ke1 h ASN 117 CO 0.02 0.42 0.05 0.40 -1.65 0.00 0.00 177.43 176.66 3ke1 h ILE 118 N 0.43 1.23 -0.49 2.81 2.04 -1.23 0.15 117.51 122.45 3ke1 h ILE 118 Ca 0.12 -0.79 0.08 0.00 1.00 0.00 0.00 64.86 65.27 3ke1 h ILE 118 Cb 0.09 1.21 -0.07 0.00 -0.74 0.00 0.00 36.82 37.31 3ke1 h ILE 118 CO -0.02 0.26 0.11 0.00 0.00 0.00 0.00 178.15 178.50 3ke1 h ALA 119 N 0.87 0.56 0.01 1.87 0.00 -1.07 0.90 119.26 122.40 3ke1 h ALA 119 Ca 0.09 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.10 3ke1 h ALA 119 Cb 0.34 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3ke1 h ALA 119 CO 0.01 -0.29 -0.03 0.00 0.00 0.00 0.00 179.25 178.93 3ke1 h ALA 120 N 1.37 -0.04 -0.07 0.00 0.00 -0.99 0.37 119.26 119.89 3ke1 h ALA 120 Ca 0.24 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 3ke1 h ALA 120 Cb 0.31 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3ke1 h ALA 120 CO -0.30 -0.53 -0.30 -0.44 0.00 0.00 0.00 179.25 177.67 3ke1 h ASP 121 N -0.06 0.13 0.27 0.00 3.32 -0.35 -2.14 116.42 117.61 3ke1 h ASP 121 Ca 0.01 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3ke1 h ASP 121 Cb 0.07 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.59 3ke1 h ASP 121 CO -0.03 0.44 -0.46 0.18 -1.72 0.00 0.00 179.24 177.65 3ke1 n LEU 122 N -4.14 0.95 -3.55 1.55 4.77 0.26 -4.52 117.00 112.32 3ke1 n LEU 122 Ca -0.01 -0.25 -0.19 0.00 -0.03 0.00 0.00 56.01 55.52 3ke1 n LEU 122 Cb 0.38 -0.14 0.06 0.00 -2.33 0.00 0.00 43.42 41.39 3ke1 n LEU 122 CO 0.39 0.20 0.01 -0.67 -1.33 0.00 0.00 177.39 175.99 3ke1 n ASP 123 N -0.98 -2.22 -4.42 -1.43 2.03 0.11 -4.97 116.55 104.67 3ke1 n ASP 123 Ca 0.08 -0.74 -0.27 0.00 0.52 0.00 0.00 54.79 54.38 3ke1 n ASP 123 Cb 0.36 -4.56 -0.12 0.00 -0.72 0.00 0.00 41.12 36.07 3ke1 n ASP 123 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3ke1 s LEU 124 N -6.42 2.42 0.70 -2.67 1.43 -0.08 -5.04 118.68 109.03 3ke1 s LEU 124 Ca 0.07 -0.84 -0.13 0.00 -1.03 0.00 0.00 54.13 52.19 3ke1 s LEU 124 Cb -0.01 -1.19 0.02 0.00 0.03 0.00 0.00 46.19 45.04 3ke1 s LEU 124 CO 0.77 0.13 1.10 -2.16 0.23 0.00 0.00 176.35 176.42 3ke1 s PRO 125 N -2.56 2.62 0.37 1.29 0.04 -1.26 -4.49 135.00 131.00 3ke1 s PRO 125 Ca 0.20 1.28 0.15 0.00 0.04 0.00 0.00 61.00 62.66 3ke1 s PRO 125 Cb -0.08 -1.94 1.02 0.00 0.04 0.00 0.00 34.50 33.54 3ke1 s PRO 125 CO 0.09 -1.37 1.75 -0.07 0.04 0.00 0.00 177.00 177.44 3ke1 h LEU 126 N -0.43 0.54 0.00 -3.56 3.38 -1.93 -2.09 115.31 111.22 3ke1 h LEU 126 Ca -0.45 0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.62 3ke1 h LEU 126 Cb 1.24 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.01 3ke1 h LEU 126 CO 0.53 0.09 0.00 -0.90 0.09 0.00 0.00 178.44 178.25 3ke1 n ASP 127 N -4.74 0.00 -0.22 -0.43 5.68 -1.26 -2.00 116.55 113.59 3ke1 n ASP 127 Ca 0.26 -0.89 0.06 0.00 -0.50 0.00 0.00 54.79 53.72 3ke1 n ASP 127 Cb 0.84 0.00 0.11 0.00 -1.14 0.00 0.00 41.12 40.93 3ke1 n ASP 127 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3ke1 n ARG 128 N -0.81 2.21 -4.45 0.11 1.74 -0.79 -4.98 116.66 109.69 3ke1 n ARG 128 Ca 0.10 -2.23 -0.21 0.00 -0.77 0.00 0.00 57.85 54.73 3ke1 n ARG 128 Cb 0.04 -1.37 -0.16 0.00 -1.02 0.00 0.00 32.46 29.96 3ke1 n ARG 128 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3ke1 s VAL 129 N -2.10 0.88 -0.01 1.55 1.01 -0.84 -1.65 120.40 119.24 3ke1 s VAL 129 Ca 0.23 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.81 3ke1 s VAL 129 Cb 0.19 -0.79 0.00 0.00 0.00 0.00 0.00 36.38 35.78 3ke1 s VAL 129 CO 0.04 0.28 -0.02 0.21 0.00 0.00 0.00 175.10 175.60 3ke1 s ASN 130 N 0.27 0.35 -0.07 3.32 2.47 -0.19 -4.97 114.94 116.12 3ke1 s ASN 130 Ca -0.05 -0.05 0.02 0.00 0.42 0.00 0.00 52.86 53.21 3ke1 s ASN 130 Cb -0.10 -0.07 0.01 0.00 -1.45 0.00 0.00 41.25 39.64 3ke1 s ASN 130 CO 0.01 0.01 -0.13 -0.69 -3.72 0.00 0.00 177.10 172.58 3ke1 s VAL 131 N 0.11 1.25 0.21 -5.21 1.01 -1.26 -2.31 120.40 114.19 3ke1 s VAL 131 Ca -0.01 -0.54 0.11 0.00 0.00 0.00 0.00 61.98 61.55 3ke1 s VAL 131 Cb -0.03 -1.14 -0.05 0.00 0.00 0.00 0.00 36.38 35.16 3ke1 s VAL 131 CO -0.00 0.38 -0.23 -0.54 0.00 0.00 0.00 175.10 174.71 3ke1 s LYS 132 N 0.72 1.57 -0.02 2.72 1.02 -0.23 -4.98 119.74 120.53 3ke1 s LYS 132 Ca -0.13 -1.57 0.04 0.00 0.02 0.00 0.00 55.97 54.33 3ke1 s LYS 132 Cb -0.16 -1.84 -0.01 0.00 -0.52 0.00 0.00 37.83 35.30 3ke1 s LYS 132 CO 0.03 0.39 -0.14 0.00 -0.92 0.00 0.00 175.35 174.71 3ke1 s ALA 133 N -1.84 1.23 0.01 5.17 0.00 -1.26 -0.18 121.76 124.90 3ke1 s ALA 133 Ca 0.23 -0.59 0.03 0.00 0.00 0.00 0.00 51.96 51.62 3ke1 s ALA 133 Cb -0.07 -0.36 -0.01 0.00 0.00 0.00 0.00 23.12 22.68 3ke1 s ALA 133 CO 0.11 0.27 -0.09 0.15 0.00 0.00 0.00 175.76 176.20 3ke1 s LYS 134 N -0.16 0.65 0.86 0.00 -0.14 0.50 -4.92 119.74 116.53 3ke1 s LYS 134 Ca 0.02 -0.48 -0.13 0.00 -1.36 0.00 0.00 55.97 54.02 3ke1 s LYS 134 Cb -0.08 -0.59 0.12 0.00 -1.68 0.00 0.00 37.83 35.61 3ke1 s LYS 134 CO 0.00 0.15 1.21 0.95 -0.76 0.00 0.00 175.35 176.90 3ke1 s THR 135 N -0.58 1.99 -0.27 2.17 -4.23 -1.26 -1.27 115.64 112.20 3ke1 s THR 135 Ca -0.00 0.00 0.12 0.00 -1.18 0.00 0.00 61.69 60.63 3ke1 s THR 135 Cb -0.05 -2.97 0.76 0.00 1.34 0.00 0.00 72.50 71.57 3ke1 s THR 135 CO 0.00 0.00 1.74 -3.20 -0.54 0.00 0.00 174.62 172.62 3ke1 n ASN 136 N -3.50 5.11 -4.19 3.99 5.15 -1.26 -4.80 115.26 115.76 3ke1 n ASN 136 Ca 0.10 -3.09 -0.34 0.00 -0.60 0.00 0.00 54.58 50.64 3ke1 n ASN 136 Cb 0.60 -0.70 -0.03 0.00 -0.53 0.00 0.00 39.78 39.13 3ke1 n ASN 136 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3ke1 n GLU 137 N 0.13 -3.07 -0.98 1.20 -0.58 -1.26 -2.12 120.64 113.96 3ke1 n GLU 137 Ca 0.33 0.36 0.00 0.00 -0.42 0.00 0.00 57.16 57.43 3ke1 n GLU 137 Cb 1.25 -4.94 0.00 0.00 -0.57 0.00 0.00 31.44 27.17 3ke1 n GLU 137 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 3ke1 n LYS 138 N -4.39 -0.70 -3.68 3.49 2.85 -1.26 -5.00 118.16 109.46 3ke1 n LYS 138 Ca -0.00 0.18 -0.35 0.00 -1.05 0.00 0.00 58.31 57.08 3ke1 n LYS 138 Cb 0.53 -3.73 -0.05 0.00 -0.65 0.00 0.00 35.03 31.12 3ke1 n LYS 138 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3ke1 s LEU 139 N 0.00 4.38 0.00 -5.58 1.43 -0.90 -4.62 118.68 113.39 3ke1 s LEU 139 Ca 0.00 0.67 0.00 0.00 -1.03 0.00 0.00 54.13 53.77 3ke1 s LEU 139 Cb 0.00 -2.70 0.00 0.00 0.03 0.00 0.00 46.19 43.52 3ke1 s LEU 139 CO 0.00 0.25 0.00 0.61 0.23 0.00 0.00 176.35 177.44 3ke1 n GLY 140 N 1.23 -0.08 0.21 -3.19 0.00 -1.26 -0.71 105.19 101.38 3ke1 n GLY 140 Ca -0.11 -0.86 0.05 0.00 0.00 0.00 0.00 46.02 45.10 3ke1 n GLY 140 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 3ke1 h TYR 141 N 0.00 0.00 -0.30 1.61 -0.00 -1.97 0.29 116.97 116.61 3ke1 h TYR 141 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 58.73 58.67 3ke1 h TYR 141 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.72 3ke1 h TYR 141 CO 0.00 0.25 -0.04 -0.07 -0.00 0.00 0.00 178.16 178.30 3ke1 h LEU 142 N 0.00 0.55 -1.77 0.10 3.38 -1.83 0.29 115.31 116.03 3ke1 h LEU 142 Ca -0.00 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.60 3ke1 h LEU 142 Cb 0.46 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 3ke1 h LEU 142 CO 0.03 0.76 -0.14 1.23 0.09 0.00 0.00 178.44 180.41 3ke1 h GLY 143 N 0.33 0.00 -0.15 0.83 0.00 0.31 -0.94 103.07 103.43 3ke1 h GLY 143 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 3ke1 h GLY 143 CO 0.02 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.10 3ke1 n ARG 144 N -4.25 1.45 -2.57 4.80 1.74 -0.03 -4.65 116.66 113.16 3ke1 n ARG 144 Ca -0.02 -0.67 -0.16 0.00 -0.77 0.00 0.00 57.85 56.22 3ke1 n ARG 144 Cb 0.21 -1.42 0.01 0.00 -1.02 0.00 0.00 32.46 30.24 3ke1 n ARG 144 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ke1 n GLY 145 N 1.06 -0.25 0.12 -0.13 0.00 -0.36 -4.93 105.19 100.70 3ke1 n GLY 145 Ca 0.18 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3ke1 n GLY 145 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ke1 h GLU 146 N -0.53 0.00 0.00 1.61 5.08 -0.63 -3.44 114.58 116.67 3ke1 h GLU 146 Ca -0.39 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.91 3ke1 h GLU 146 Cb 1.28 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.52 3ke1 h GLU 146 CO 0.44 0.61 0.17 0.41 -1.00 0.00 0.00 179.01 179.63 3ke1 n GLY 147 N 1.16 1.36 3.00 -3.84 0.00 -1.25 -1.17 105.19 104.45 3ke1 n GLY 147 Ca 0.01 -1.27 -0.20 0.00 0.00 0.00 0.00 46.02 44.56 3ke1 n GLY 147 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ke1 s ILE 148 N -2.35 0.79 0.08 -0.61 1.01 -0.44 -4.67 121.20 115.02 3ke1 s ILE 148 Ca 0.15 -0.37 0.06 0.00 0.00 0.00 0.00 60.65 60.49 3ke1 s ILE 148 Cb -0.03 -0.70 -0.04 0.00 0.01 0.00 0.00 42.46 41.70 3ke1 s ILE 148 CO 0.11 0.25 -0.06 -0.70 0.00 0.00 0.00 174.94 174.53 3ke1 s GLU 149 N 0.17 2.34 0.11 2.79 2.12 -0.90 -2.02 118.70 123.30 3ke1 s GLU 149 Ca -0.03 -0.91 0.06 0.00 0.36 0.00 0.00 54.97 54.45 3ke1 s GLU 149 Cb -0.08 -2.42 -0.04 0.00 0.26 0.00 0.00 34.13 31.85 3ke1 s GLU 149 CO 0.00 0.53 -0.15 0.00 -0.54 0.00 0.00 175.26 175.11 3ke1 s ALA 150 N -1.21 1.46 0.06 6.30 0.00 0.48 -0.83 121.76 128.01 3ke1 s ALA 150 Ca 0.22 -1.22 0.05 0.00 0.00 0.00 0.00 51.96 51.01 3ke1 s ALA 150 Cb -0.11 -0.10 -0.03 0.00 0.00 0.00 0.00 23.12 22.88 3ke1 s ALA 150 CO 0.14 0.15 -0.13 -0.65 0.00 0.00 0.00 175.76 175.27 3ke1 s GLN 151 N -2.37 0.82 0.04 0.00 -0.21 -0.20 -1.48 119.66 116.26 3ke1 s GLN 151 Ca 0.06 -0.85 -0.10 0.00 0.02 0.00 0.00 55.36 54.49 3ke1 s GLN 151 Cb -0.07 -0.80 0.01 0.00 1.00 0.00 0.00 33.01 33.14 3ke1 s GLN 151 CO 0.03 0.19 0.21 0.00 -2.12 0.00 0.00 175.29 173.59 3ke1 s ALA 152 N -1.11 -0.40 0.01 6.09 0.00 0.31 -1.21 121.76 125.44 3ke1 s ALA 152 Ca -0.01 -0.23 0.02 0.00 0.00 0.00 0.00 51.96 51.74 3ke1 s ALA 152 Cb -0.09 0.27 -0.01 0.00 0.00 0.00 0.00 23.12 23.29 3ke1 s ALA 152 CO 0.02 -0.36 -0.06 0.00 0.00 0.00 0.00 175.76 175.36 3ke1 s ALA 153 N -2.48 0.49 -0.00 0.00 0.00 -0.29 -0.87 121.76 118.60 3ke1 s ALA 153 Ca -0.06 -0.38 0.02 0.00 0.00 0.00 0.00 51.96 51.54 3ke1 s ALA 153 Cb -0.01 -0.07 -0.00 0.00 0.00 0.00 0.00 23.12 23.03 3ke1 s ALA 153 CO -0.03 0.08 -0.05 0.00 0.00 0.00 0.00 175.76 175.75 3ke1 s ALA 154 N -0.47 0.41 -0.11 0.00 0.00 -0.51 -1.29 121.76 119.80 3ke1 s ALA 154 Ca -0.01 -0.21 -0.00 0.00 0.00 0.00 0.00 51.96 51.73 3ke1 s ALA 154 Cb -0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 23.12 22.95 3ke1 s ALA 154 CO -0.00 0.10 -0.10 -1.17 0.00 0.00 0.00 175.76 174.59 3ke1 s LEU 155 N -0.12 2.93 0.30 0.00 2.96 -0.68 -0.63 118.68 123.44 3ke1 s LEU 155 Ca 0.02 -0.20 0.03 0.00 -0.22 0.00 0.00 54.13 53.76 3ke1 s LEU 155 Cb -0.02 -1.65 -0.06 0.00 0.50 0.00 0.00 46.19 44.96 3ke1 s LEU 155 CO -0.00 0.24 0.08 0.68 -1.32 0.00 0.00 176.35 176.03 3ke1 s VAL 156 N -0.09 0.89 -0.02 1.68 -7.23 -0.19 -0.82 120.40 114.62 3ke1 s VAL 156 Ca -0.01 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.15 3ke1 s VAL 156 Cb -0.14 -2.72 0.01 0.00 0.56 0.00 0.00 36.38 34.10 3ke1 s VAL 156 CO 0.03 0.00 0.06 0.54 -0.31 0.00 0.00 175.10 175.42 3ke1 s VAL 157 N -3.51 -0.02 -0.45 1.32 0.11 -0.05 -0.82 120.40 116.98 3ke1 s VAL 157 Ca 0.37 0.06 -0.29 0.00 -2.93 0.00 0.00 61.98 59.19 3ke1 s VAL 157 Cb 0.08 -0.10 0.03 0.00 -1.53 0.00 0.00 36.38 34.86 3ke1 s VAL 157 CO 0.15 0.03 1.14 -0.60 -3.33 0.00 0.00 175.10 172.48 3ke1 s ARG 158 N 0.36 3.78 0.00 1.54 3.52 0.19 -0.42 118.95 127.91 3ke1 s ARG 158 Ca -0.03 0.67 0.20 0.00 -0.13 0.00 0.00 55.73 56.44 3ke1 s ARG 158 Cb -0.04 -3.88 1.17 0.00 -1.56 0.00 0.00 34.95 30.64 3ke1 s ARG 158 CO -0.01 -1.31 1.56 0.39 -0.81 0.00 0.00 175.30 175.12