#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4k s ALA 2 N 0.00 -0.40 0.07 -5.12 0.00 -1.26 -5.19 121.76 109.86 2k4k s ALA 2 Ca 0.00 -0.75 -0.10 0.00 0.00 0.00 0.00 51.96 51.12 2k4k s ALA 2 Cb 0.00 1.01 0.00 0.00 0.00 0.00 0.00 23.12 24.13 2k4k s ALA 2 CO 0.00 -0.86 0.21 0.00 0.00 0.00 0.00 175.76 175.11 2k4k s ALA 3 N -3.99 -0.33 -0.09 0.00 0.00 -1.26 -4.91 121.76 111.18 2k4k s ALA 3 Ca 0.19 -0.45 0.30 0.00 0.00 0.00 0.00 51.96 52.01 2k4k s ALA 3 Cb -0.01 0.43 1.26 0.00 0.00 0.00 0.00 23.12 24.80 2k4k s ALA 3 CO 0.07 -0.47 1.90 0.87 0.00 0.00 0.00 175.76 178.13 2k4k h LYS 4 N 2.96 0.00 -4.67 0.00 1.57 -2.02 -3.44 116.57 110.97 2k4k h LYS 4 Ca -0.33 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.20 2k4k h LYS 4 Cb 1.20 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.36 2k4k h LYS 4 CO 0.53 0.00 -0.67 -0.06 -0.57 0.00 0.00 179.45 178.68 2k4k s PHE 5 N -3.56 1.05 0.01 -1.35 0.40 -1.26 -5.18 117.98 108.09 2k4k s PHE 5 Ca 0.02 -1.04 -0.01 0.00 -0.60 0.00 0.00 56.93 55.30 2k4k s PHE 5 Cb 0.09 -0.60 -0.01 0.00 0.51 0.00 0.00 43.02 43.01 2k4k s PHE 5 CO 0.48 -0.26 0.00 -1.21 0.70 0.00 0.00 175.22 174.93 2k4k s GLU 6 N -3.92 0.25 0.04 0.44 2.02 -1.26 -4.96 118.70 111.31 2k4k s GLU 6 Ca 0.21 -0.41 -0.37 0.00 0.02 0.00 0.00 54.97 54.42 2k4k s GLU 6 Cb 0.06 0.09 -0.16 0.00 0.10 0.00 0.00 34.13 34.22 2k4k s GLU 6 CO 0.01 -0.04 1.44 0.28 0.02 0.00 0.00 175.26 176.96 2k4k n VAL 7 N 1.99 0.06 -0.07 2.63 0.31 -1.26 -1.73 118.33 120.25 2k4k n VAL 7 Ca -0.21 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 2k4k n VAL 7 Cb 0.56 -0.99 0.00 0.00 -0.91 0.00 0.00 33.84 32.51 2k4k n VAL 7 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2k4k n GLY 8 N 2.90 1.54 3.63 2.92 0.00 -0.37 -5.04 105.19 110.77 2k4k n GLY 8 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 2k4k n GLY 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k4k s SER 9 N -3.09 2.54 -0.02 1.61 0.01 -0.71 -4.78 113.70 109.26 2k4k s SER 9 Ca 0.00 1.71 -0.00 0.00 1.31 0.00 0.00 55.95 58.97 2k4k s SER 9 Cb 0.00 -2.34 0.03 0.00 0.21 0.00 0.00 66.02 63.92 2k4k s SER 9 CO 0.00 -3.26 0.03 -0.69 0.41 0.00 0.00 173.24 169.73 2k4k s VAL 10 N -2.70 -0.06 0.34 3.43 1.01 -1.26 -0.63 120.40 120.53 2k4k s VAL 10 Ca 0.66 0.21 0.07 0.00 0.00 0.00 0.00 61.98 62.91 2k4k s VAL 10 Cb -0.22 -0.08 -0.03 0.00 0.00 0.00 0.00 36.38 36.06 2k4k s VAL 10 CO 0.60 0.08 0.26 -0.31 0.00 0.00 0.00 175.10 175.73 2k4k s TYR 11 N 1.02 1.76 0.09 5.22 2.02 -0.58 -5.00 117.35 121.87 2k4k s TYR 11 Ca -0.08 -1.62 0.05 0.00 -0.37 0.00 0.00 57.07 55.05 2k4k s TYR 11 Cb -0.12 -0.77 -0.04 0.00 -0.40 0.00 0.00 41.96 40.62 2k4k s TYR 11 CO -0.03 -0.80 -0.01 0.99 -1.57 0.00 0.00 175.55 174.13 2k4k s THR 12 N -3.42 3.93 0.36 -0.71 2.01 -1.26 -0.66 115.64 115.89 2k4k s THR 12 Ca 0.38 -1.02 -0.07 0.00 0.31 0.00 0.00 61.69 61.29 2k4k s THR 12 Cb 0.02 -2.87 0.02 0.00 0.01 0.00 0.00 72.50 69.68 2k4k s THR 12 CO 0.26 0.12 0.59 -0.83 -0.69 0.00 0.00 174.62 174.07 2k4k s GLY 13 N -2.29 1.08 -0.14 4.40 0.00 -0.16 -4.77 107.32 105.45 2k4k s GLY 13 Ca 0.25 -1.24 0.00 0.00 0.00 0.00 0.00 44.72 43.74 2k4k s GLY 13 CO 0.18 -0.75 -0.13 1.25 0.00 0.00 0.00 173.10 173.65 2k4k s LYS 14 N -2.81 2.11 0.01 2.90 2.36 -0.05 -0.97 119.74 123.28 2k4k s LYS 14 Ca 0.25 -0.49 -0.30 0.00 -2.55 0.00 0.00 55.97 52.88 2k4k s LYS 14 Cb -0.02 -1.96 -0.08 0.00 -1.05 0.00 0.00 37.83 34.72 2k4k s LYS 14 CO 0.17 -0.22 1.87 0.08 1.55 0.00 0.00 175.35 178.80 2k4k s VAL 15 N 1.48 3.18 -0.33 4.02 1.01 0.25 -1.16 120.40 128.85 2k4k s VAL 15 Ca 0.04 0.22 0.22 0.00 0.00 0.00 0.00 61.98 62.46 2k4k s VAL 15 Cb -0.13 -3.14 -0.25 0.00 0.00 0.00 0.00 36.38 32.86 2k4k s VAL 15 CO -0.09 -0.02 0.70 0.35 0.00 0.00 0.00 175.10 176.04 2k4k n THR 16 N 5.52 0.09 -3.58 3.92 -2.24 0.26 -1.16 114.28 117.08 2k4k n THR 16 Ca 0.19 -0.37 0.03 0.00 -2.27 0.00 0.00 64.05 61.63 2k4k n THR 16 Cb 0.42 0.19 -0.00 0.00 -2.10 0.00 0.00 70.33 68.83 2k4k n THR 16 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2k4k s GLY 17 N -4.08 -0.47 0.08 3.38 0.00 -1.17 -4.88 107.32 100.18 2k4k s GLY 17 Ca -0.02 0.86 0.07 0.00 0.00 0.00 0.00 44.72 45.63 2k4k s GLY 17 CO 0.87 0.16 -0.19 1.08 0.00 0.00 0.00 173.10 175.02 2k4k s LEU 18 N -2.99 2.27 0.06 0.66 1.43 -1.26 -1.14 118.68 117.71 2k4k s LEU 18 Ca 0.15 -0.64 -0.04 0.00 -1.03 0.00 0.00 54.13 52.56 2k4k s LEU 18 Cb 0.07 -0.81 -0.02 0.00 0.03 0.00 0.00 46.19 45.46 2k4k s LEU 18 CO -0.06 0.04 0.07 -1.10 0.23 0.00 0.00 176.35 175.54 2k4k s GLN 19 N -1.73 0.70 0.00 1.70 -1.52 0.43 -4.97 119.66 114.26 2k4k s GLN 19 Ca 0.05 -1.07 0.05 0.00 -1.95 0.00 0.00 55.36 52.44 2k4k s GLN 19 Cb -0.10 0.26 0.26 0.00 -0.22 0.00 0.00 33.01 33.22 2k4k s GLN 19 CO 0.03 -0.18 1.07 0.00 -0.25 0.00 0.00 175.29 175.97 2k4k n ALA 20 N 0.10 1.37 -0.12 6.09 0.00 -1.26 -2.07 120.51 124.63 2k4k n ALA 20 Ca -0.15 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2k4k n ALA 20 Cb 0.61 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.97 2k4k n ALA 20 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 2k4k n TYR 21 N -1.36 0.00 -0.24 0.00 0.18 -1.26 -4.96 117.16 109.51 2k4k n TYR 21 Ca 0.02 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.80 2k4k n TYR 21 Cb 0.05 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.01 2k4k n TYR 21 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2k4k n GLY 22 N 0.04 -2.49 3.06 -7.48 0.00 -0.88 -1.23 105.19 96.21 2k4k n GLY 22 Ca 0.00 -1.26 -0.30 0.00 0.00 0.00 0.00 46.02 44.47 2k4k n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k4k s ALA 23 N -1.94 1.87 0.29 4.61 0.00 -0.07 -0.43 121.76 126.09 2k4k s ALA 23 Ca 0.00 -0.88 -0.29 0.00 0.00 0.00 0.00 51.96 50.79 2k4k s ALA 23 Cb 0.00 -0.96 -0.10 0.00 0.00 0.00 0.00 23.12 22.06 2k4k s ALA 23 CO 0.00 -0.20 1.20 -0.06 0.00 0.00 0.00 175.76 176.70 2k4k s PHE 24 N 1.18 3.34 -0.12 0.00 0.08 -0.29 -0.80 117.98 121.37 2k4k s PHE 24 Ca -0.01 1.53 -0.03 0.00 0.12 0.00 0.00 56.93 58.53 2k4k s PHE 24 Cb -0.14 -3.47 0.05 0.00 -0.57 0.00 0.00 43.02 38.88 2k4k s PHE 24 CO -0.06 -1.20 0.07 0.08 -0.10 0.00 0.00 175.22 174.01 2k4k s VAL 25 N -0.97 -0.01 0.50 -0.44 1.01 -0.41 -0.58 120.40 119.50 2k4k s VAL 25 Ca 0.48 0.05 -0.22 0.00 0.00 0.00 0.00 61.98 62.28 2k4k s VAL 25 Cb -0.35 -0.45 -0.06 0.00 0.00 0.00 0.00 36.38 35.52 2k4k s VAL 25 CO 0.45 -0.07 1.27 0.00 0.00 0.00 0.00 175.10 176.75 2k4k s ALA 26 N 2.12 2.90 0.00 5.51 0.00 -0.31 -0.63 121.76 131.35 2k4k s ALA 26 Ca 0.03 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.14 2k4k s ALA 26 Cb -0.14 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.49 2k4k s ALA 26 CO -0.06 -1.04 0.00 1.28 0.00 0.00 0.00 175.76 175.94 2k4k n LEU 27 N -0.75 0.60 -3.80 0.00 4.77 -0.02 -0.87 117.00 116.93 2k4k n LEU 27 Ca 0.09 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.97 2k4k n LEU 27 Cb 0.46 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.50 2k4k n LEU 27 CO 0.51 0.10 0.15 -0.62 -1.33 0.00 0.00 177.39 176.19 2k4k s ASP 28 N -2.66 -0.14 0.59 -1.43 2.15 -0.66 -4.83 116.67 109.70 2k4k s ASP 28 Ca 0.00 -0.59 0.33 0.00 0.43 0.00 0.00 52.55 52.72 2k4k s ASP 28 Cb 0.00 0.51 1.77 0.00 -0.30 0.00 0.00 42.92 44.90 2k4k s ASP 28 CO 0.00 -0.96 1.99 -0.33 -0.17 0.00 0.00 175.17 175.70 2k4k h GLU 29 N 2.36 0.00 0.00 4.34 4.39 -2.04 -1.75 114.58 121.88 2k4k h GLU 29 Ca -0.31 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.39 2k4k h GLU 29 Cb 1.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 2k4k h GLU 29 CO 0.43 0.00 -0.10 0.39 -1.16 0.00 0.00 179.01 178.57 2k4k n GLU 30 N -2.79 1.03 -3.85 2.33 -0.58 -1.26 -5.08 120.64 110.43 2k4k n GLU 30 Ca -0.02 -1.21 -0.12 0.00 -0.42 0.00 0.00 57.16 55.39 2k4k n GLU 30 Cb 0.22 -0.80 -0.12 0.00 -0.57 0.00 0.00 31.44 30.17 2k4k n GLU 30 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2k4k s THR 31 N -0.74 0.02 0.26 2.62 2.01 -0.66 -5.11 115.64 114.04 2k4k s THR 31 Ca 0.05 -0.15 -0.02 0.00 0.31 0.00 0.00 61.69 61.88 2k4k s THR 31 Cb 0.05 -0.20 -0.02 0.00 0.01 0.00 0.00 72.50 72.33 2k4k s THR 31 CO 0.00 -0.08 0.28 0.00 -0.69 0.00 0.00 174.62 174.13 2k4k s GLN 32 N -0.24 1.49 0.06 4.92 -2.07 -1.26 -0.84 119.66 121.73 2k4k s GLN 32 Ca -0.03 -1.66 0.01 0.00 -1.82 0.00 0.00 55.36 51.86 2k4k s GLN 32 Cb -0.02 0.35 -0.00 0.00 -1.09 0.00 0.00 33.01 32.24 2k4k s GLN 32 CO 0.00 -0.55 0.06 0.41 -1.32 0.00 0.00 175.29 173.89 2k4k n GLY 33 N -0.41 3.50 2.62 2.60 0.00 0.20 -4.27 105.19 109.43 2k4k n GLY 33 Ca 0.02 -1.59 -0.29 0.00 0.00 0.00 0.00 46.02 44.16 2k4k n GLY 33 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2k4k s LEU 34 N 0.00 1.01 -0.09 0.99 2.96 -0.09 -1.29 118.68 122.17 2k4k s LEU 34 Ca 0.06 -1.22 -0.29 0.00 -0.22 0.00 0.00 54.13 52.46 2k4k s LEU 34 Cb 0.00 -0.49 -0.07 0.00 0.50 0.00 0.00 46.19 46.13 2k4k s LEU 34 CO 0.04 -0.40 2.07 -0.69 -1.32 0.00 0.00 176.35 176.05 2k4k s VAL 35 N 1.96 3.04 0.20 1.68 1.01 0.02 -1.31 120.40 127.01 2k4k s VAL 35 Ca 0.07 0.05 -0.30 0.00 0.00 0.00 0.00 61.98 61.80 2k4k s VAL 35 Cb -0.16 -3.04 -0.08 0.00 0.00 0.00 0.00 36.38 33.09 2k4k s VAL 35 CO -0.27 -0.02 1.11 -1.00 0.00 0.00 0.00 175.10 174.92 2k4k s HIS 36 N 6.30 3.58 0.40 5.22 0.09 -1.17 -0.89 115.29 128.83 2k4k s HIS 36 Ca 0.93 1.61 0.15 0.00 -0.00 0.00 0.00 55.06 57.75 2k4k s HIS 36 Cb -0.37 -3.29 1.01 0.00 -0.00 0.00 0.00 32.58 29.93 2k4k s HIS 36 CO 0.38 -0.63 1.87 0.97 -0.00 0.00 0.00 174.74 177.33 2k4k h ILE 37 N 3.59 0.74 0.00 0.60 2.10 -1.51 -0.23 117.51 122.80 2k4k h ILE 37 Ca -0.45 -0.16 0.00 0.00 1.08 0.00 0.00 64.86 65.33 2k4k h ILE 37 Cb 1.21 0.22 0.00 0.00 -1.09 0.00 0.00 36.82 37.16 2k4k h ILE 37 CO 0.71 0.09 0.00 0.28 -1.08 0.00 0.00 178.15 178.15 2k4k h SER 38 N 0.48 0.00 0.00 2.19 0.02 -1.92 -2.39 113.55 111.93 2k4k h SER 38 Ca 0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 2k4k h SER 38 Cb 0.99 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.53 2k4k h SER 38 CO -0.18 0.00 -0.03 -0.62 -1.14 0.00 0.00 176.83 174.87 2k4k n GLU 39 N -2.67 2.01 0.01 3.45 -0.58 -0.11 -4.63 120.64 118.13 2k4k n GLU 39 Ca -0.02 -1.60 -0.01 0.00 -0.42 0.00 0.00 57.16 55.11 2k4k n GLU 39 Cb 0.07 -1.02 0.26 0.00 -0.57 0.00 0.00 31.44 30.18 2k4k n GLU 39 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2k4k h VAL 40 N 0.80 1.23 -2.94 2.62 2.07 -1.28 0.97 116.25 119.72 2k4k h VAL 40 Ca 0.00 -0.99 -0.10 0.00 0.82 0.00 0.00 66.70 66.43 2k4k h VAL 40 Cb 0.74 1.13 -0.19 0.00 -1.52 0.00 0.00 31.29 31.45 2k4k h VAL 40 CO 0.00 0.33 -0.17 -0.89 0.02 0.00 0.00 177.57 176.85 2k4k s THR 41 N -4.76 0.05 0.00 2.57 2.01 -1.26 -2.43 115.64 111.82 2k4k s THR 41 Ca -0.07 -0.44 -0.01 0.00 0.31 0.00 0.00 61.69 61.48 2k4k s THR 41 Cb 0.15 -0.79 -0.03 0.00 0.01 0.00 0.00 72.50 71.84 2k4k s THR 41 CO 0.77 -0.24 1.78 0.00 -0.69 0.00 0.00 174.62 176.24 2k4k n HIS 42 N 0.95 0.00 -3.84 4.92 1.44 -1.26 -4.77 115.22 112.66 2k4k n HIS 42 Ca -0.20 -0.84 0.01 0.00 -2.01 0.00 0.00 57.72 54.68 2k4k n HIS 42 Cb 0.57 -0.59 0.01 0.00 0.12 0.00 0.00 29.99 30.10 2k4k n HIS 42 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 2k4k s GLY 43 N 2.04 -0.19 -0.15 -1.39 0.00 -1.26 -5.12 107.32 101.26 2k4k s GLY 43 Ca 0.09 0.19 -0.29 0.00 0.00 0.00 0.00 44.72 44.71 2k4k s GLY 43 CO 0.00 2.97 2.14 0.69 0.00 0.00 0.00 173.10 178.91 2k4k n PHE 44 N -0.71 2.12 -1.84 1.90 3.72 -1.26 -4.94 117.46 116.44 2k4k n PHE 44 Ca -0.02 -0.18 -0.42 0.00 -0.05 0.00 0.00 57.45 56.78 2k4k n PHE 44 Cb 0.60 -2.74 -0.03 0.00 -0.94 0.00 0.00 39.48 36.37 2k4k n PHE 44 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2k4k s VAL 45 N 7.06 2.73 0.04 -4.37 1.01 -1.26 -4.93 120.40 120.68 2k4k s VAL 45 Ca 0.98 0.30 -0.28 0.00 0.00 0.00 0.00 61.98 62.98 2k4k s VAL 45 Cb -0.40 -3.19 -0.17 0.00 0.00 0.00 0.00 36.38 32.62 2k4k s VAL 45 CO 0.38 0.01 1.45 0.11 0.00 0.00 0.00 175.10 177.05 2k4k h LYS 46 N 8.05 -0.51 -1.93 2.72 1.57 -1.94 -3.46 116.57 121.07 2k4k h LYS 46 Ca -0.44 0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.35 2k4k h LYS 46 Cb 1.21 0.12 -0.21 0.00 0.08 0.00 0.00 32.23 33.43 2k4k h LYS 46 CO 0.94 -0.25 0.22 0.34 -0.57 0.00 0.00 179.45 180.12 2k4k s ASP 47 N -4.85 -0.65 0.36 0.86 -1.08 -1.26 -5.06 116.67 104.99 2k4k s ASP 47 Ca -0.15 0.98 0.06 0.00 -0.52 0.00 0.00 52.55 52.92 2k4k s ASP 47 Cb 0.03 0.90 0.74 0.00 -1.46 0.00 0.00 42.92 43.13 2k4k s ASP 47 CO 0.59 -0.42 1.96 -0.29 0.52 0.00 0.00 175.17 177.53 2k4k h ILE 48 N 3.39 1.02 0.00 4.11 2.10 -1.92 -0.65 117.51 125.57 2k4k h ILE 48 Ca -0.27 -0.26 0.00 0.00 1.08 0.00 0.00 64.86 65.41 2k4k h ILE 48 Cb 1.15 0.20 0.00 0.00 -1.09 0.00 0.00 36.82 37.08 2k4k h ILE 48 CO 0.23 0.14 0.00 -0.55 -1.08 0.00 0.00 178.15 176.89 2k4k h ASN 49 N 0.76 0.00 0.13 2.19 7.08 -1.97 0.49 115.58 124.26 2k4k h ASN 49 Ca 0.31 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.53 2k4k h ASN 49 Cb 0.26 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.50 2k4k h ASN 49 CO -0.10 0.00 -0.16 -0.62 -2.08 0.00 0.00 177.43 174.47 2k4k n GLU 50 N -2.33 1.20 0.00 4.14 -0.58 -0.25 -4.22 120.64 118.59 2k4k n GLU 50 Ca -0.00 -0.72 0.00 0.00 -0.42 0.00 0.00 57.16 56.02 2k4k n GLU 50 Cb 0.12 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.50 2k4k n GLU 50 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2k4k n HIS 51 N -0.27 0.00 -4.08 -0.32 8.25 -0.52 -4.74 115.22 113.54 2k4k n HIS 51 Ca 0.15 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.50 2k4k n HIS 51 Cb 0.36 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.39 2k4k n HIS 51 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2k4k s LEU 52 N -2.25 0.83 -0.10 2.41 1.43 0.05 -4.64 118.68 116.40 2k4k s LEU 52 Ca 0.00 -1.13 -0.04 0.00 -1.03 0.00 0.00 54.13 51.93 2k4k s LEU 52 Cb 0.00 1.03 0.05 0.00 0.03 0.00 0.00 46.19 47.30 2k4k s LEU 52 CO 0.00 -0.96 0.22 -0.44 0.23 0.00 0.00 176.35 175.40 2k4k s SER 53 N -3.07 -0.01 0.56 2.29 0.01 -1.26 -4.14 113.70 108.08 2k4k s SER 53 Ca 0.29 0.48 -0.21 0.00 1.31 0.00 0.00 55.95 57.81 2k4k s SER 53 Cb 0.04 0.41 -0.05 0.00 0.21 0.00 0.00 66.02 66.63 2k4k s SER 53 CO 0.09 -0.19 1.24 0.55 0.41 0.00 0.00 173.24 175.34 2k4k n VAL 54 N 4.57 3.82 -2.21 3.43 3.14 -1.26 -3.49 118.33 126.33 2k4k n VAL 54 Ca -0.20 -0.50 -0.10 0.00 -2.96 0.00 0.00 64.34 60.59 2k4k n VAL 54 Cb 0.52 -1.50 -0.00 0.00 -1.06 0.00 0.00 33.84 31.80 2k4k n VAL 54 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2k4k n GLY 55 N 0.92 -0.03 3.40 7.55 0.00 -0.31 -5.00 105.19 111.73 2k4k n GLY 55 Ca 0.12 -0.47 -0.20 0.00 0.00 0.00 0.00 46.02 45.47 2k4k n GLY 55 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k4k s ASP 56 N -2.57 2.74 -0.14 1.61 2.15 -1.23 -4.94 116.67 114.28 2k4k s ASP 56 Ca 0.01 -1.12 -0.03 0.00 0.43 0.00 0.00 52.55 51.83 2k4k s ASP 56 Cb -0.00 -0.16 -0.03 0.00 -0.30 0.00 0.00 42.92 42.42 2k4k s ASP 56 CO 0.01 -0.26 -0.03 -0.70 -0.17 0.00 0.00 175.17 174.03 2k4k s GLU 57 N -3.68 3.57 -0.06 4.34 2.12 -1.26 -0.58 118.70 123.14 2k4k s GLU 57 Ca 0.27 -0.49 -0.06 0.00 0.36 0.00 0.00 54.97 55.04 2k4k s GLU 57 Cb 0.02 -2.90 0.02 0.00 0.26 0.00 0.00 34.13 31.52 2k4k s GLU 57 CO 0.10 0.32 0.17 0.14 -0.54 0.00 0.00 175.26 175.46 2k4k s VAL 58 N 0.15 0.01 0.28 3.70 -7.23 -0.14 -4.99 120.40 112.17 2k4k s VAL 58 Ca -0.01 -0.10 -0.29 0.00 -1.81 0.00 0.00 61.98 59.77 2k4k s VAL 58 Cb -0.13 -0.28 -0.10 0.00 0.56 0.00 0.00 36.38 36.43 2k4k s VAL 58 CO 0.03 -0.05 1.23 -1.10 -0.31 0.00 0.00 175.10 174.89 2k4k s GLN 59 N -0.12 4.47 -0.02 4.82 1.11 -1.26 -0.98 119.66 127.68 2k4k s GLN 59 Ca -0.02 2.02 0.02 0.00 0.01 0.00 0.00 55.36 57.39 2k4k s GLN 59 Cb -0.02 -3.14 0.00 0.00 -1.01 0.00 0.00 33.01 28.84 2k4k s GLN 59 CO 0.00 -0.06 -0.06 0.14 0.01 0.00 0.00 175.29 175.33 2k4k s VAL 60 N -0.85 0.52 -0.06 1.09 -7.23 0.16 -4.77 120.40 109.26 2k4k s VAL 60 Ca 0.49 -0.23 -0.17 0.00 -1.81 0.00 0.00 61.98 60.25 2k4k s VAL 60 Cb -0.36 -0.47 -0.05 0.00 0.56 0.00 0.00 36.38 36.06 2k4k s VAL 60 CO 0.45 0.17 0.46 -0.75 -0.31 0.00 0.00 175.10 175.12 2k4k s LYS 61 N 0.15 4.20 -0.20 4.82 2.20 -0.81 -1.53 119.74 128.56 2k4k s LYS 61 Ca -0.02 0.45 -0.29 0.00 -0.36 0.00 0.00 55.97 55.76 2k4k s LYS 61 Cb -0.06 -3.35 -0.04 0.00 -1.51 0.00 0.00 37.83 32.87 2k4k s LYS 61 CO -0.00 0.37 1.86 0.08 -0.36 0.00 0.00 175.35 177.29 2k4k s VAL 62 N -0.07 3.38 -0.10 4.02 1.01 0.19 -1.11 120.40 127.72 2k4k s VAL 62 Ca 0.25 0.42 0.02 0.00 0.00 0.00 0.00 61.98 62.66 2k4k s VAL 62 Cb -0.16 -3.42 -0.25 0.00 0.00 0.00 0.00 36.38 32.56 2k4k s VAL 62 CO 0.12 -0.20 0.43 -0.11 0.00 0.00 0.00 175.10 175.33 2k4k n LEU 63 N 9.49 1.93 -3.69 3.92 7.94 0.06 -1.24 117.00 135.41 2k4k n LEU 63 Ca 0.23 0.25 -0.10 0.00 -1.11 0.00 0.00 56.01 55.28 2k4k n LEU 63 Cb 0.45 -0.59 -0.03 0.00 0.53 0.00 0.00 43.42 43.78 2k4k n LEU 63 CO 0.66 0.68 0.35 0.00 -1.11 0.00 0.00 177.39 177.97 2k4k s ALA 64 N -2.57 -1.15 -0.08 1.96 0.00 -0.99 -4.76 121.76 114.16 2k4k s ALA 64 Ca -0.16 -0.08 -0.13 0.00 0.00 0.00 0.00 51.96 51.60 2k4k s ALA 64 Cb 0.07 0.86 0.03 0.00 0.00 0.00 0.00 23.12 24.08 2k4k s ALA 64 CO 0.78 -0.85 0.32 0.54 0.00 0.00 0.00 175.76 176.55 2k4k s VAL 65 N -3.86 0.02 -0.26 0.00 0.11 -1.26 -1.22 120.40 113.94 2k4k s VAL 65 Ca 0.08 -0.19 -0.03 0.00 -2.93 0.00 0.00 61.98 58.90 2k4k s VAL 65 Cb -0.02 -0.52 0.10 0.00 -1.53 0.00 0.00 36.38 34.41 2k4k s VAL 65 CO -0.03 -0.11 0.19 -0.62 -3.33 0.00 0.00 175.10 171.20 2k4k s ASP 66 N -0.42 2.47 0.47 3.54 -1.08 -0.15 -5.00 116.67 116.50 2k4k s ASP 66 Ca -0.05 -0.86 0.28 0.00 -0.52 0.00 0.00 52.55 51.39 2k4k s ASP 66 Cb -0.04 0.04 0.90 0.00 -1.46 0.00 0.00 42.92 42.37 2k4k s ASP 66 CO 0.02 -0.39 1.81 -0.08 0.52 0.00 0.00 175.17 177.04 2k4k h GLU 67 N 8.35 0.00 -0.02 4.34 4.57 -1.91 -0.13 114.58 129.78 2k4k h GLU 67 Ca -0.17 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 57.88 2k4k h GLU 67 Cb 1.07 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.67 2k4k h GLU 67 CO 0.36 0.00 -0.51 0.93 -1.18 0.00 0.00 179.01 178.61 2k4k h GLU 68 N 0.00 0.38 0.00 1.92 4.39 -1.95 -2.87 114.58 116.45 2k4k h GLU 68 Ca 0.00 -0.39 0.00 0.00 0.34 0.00 0.00 59.36 59.31 2k4k h GLU 68 Cb 0.71 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.46 2k4k h GLU 68 CO 0.00 1.05 0.00 0.87 -1.16 0.00 0.00 179.01 179.77 2k4k h LYS 69 N -0.14 0.00 -5.43 2.33 1.57 -1.99 -3.47 116.57 109.44 2k4k h LYS 69 Ca -0.06 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.42 2k4k h LYS 69 Cb 1.22 0.00 0.16 0.00 0.08 0.00 0.00 32.23 33.69 2k4k h LYS 69 CO 0.10 0.00 -0.73 0.41 -0.57 0.00 0.00 179.45 178.66 2k4k n GLY 70 N -0.12 -0.39 3.11 3.86 0.00 -0.32 -5.04 105.19 106.30 2k4k n GLY 70 Ca 0.00 0.11 -0.15 0.00 0.00 0.00 0.00 46.02 45.98 2k4k n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k4k s LYS 71 N -5.19 0.65 -0.14 1.61 -0.14 -0.21 -4.99 119.74 111.34 2k4k s LYS 71 Ca 0.04 -0.85 -0.04 0.00 -1.36 0.00 0.00 55.97 53.77 2k4k s LYS 71 Cb -0.01 -0.52 0.06 0.00 -1.68 0.00 0.00 37.83 35.69 2k4k s LYS 71 CO 0.69 0.11 0.14 0.42 -0.76 0.00 0.00 175.35 175.94 2k4k s ILE 72 N -1.36 -0.20 0.36 2.17 1.01 -1.26 -0.98 121.20 120.94 2k4k s ILE 72 Ca -0.06 0.08 -0.25 0.00 0.00 0.00 0.00 60.65 60.41 2k4k s ILE 72 Cb -0.10 -0.46 -0.09 0.00 0.01 0.00 0.00 42.46 41.82 2k4k s ILE 72 CO 0.01 -0.07 1.01 -0.44 0.00 0.00 0.00 174.94 175.45 2k4k s SER 73 N 2.23 7.04 0.26 3.58 0.01 -0.36 -0.92 113.70 125.55 2k4k s SER 73 Ca 0.04 1.99 0.04 0.00 1.31 0.00 0.00 55.95 59.32 2k4k s SER 73 Cb -0.14 -2.59 -0.06 0.00 0.21 0.00 0.00 66.02 63.44 2k4k s SER 73 CO -0.08 -0.29 0.02 -0.76 0.41 0.00 0.00 173.24 172.54 2k4k s LEU 74 N -2.28 2.15 0.07 2.44 1.43 -0.42 -0.76 118.68 121.31 2k4k s LEU 74 Ca 0.53 -1.28 0.03 0.00 -1.03 0.00 0.00 54.13 52.39 2k4k s LEU 74 Cb -0.22 -0.30 -0.03 0.00 0.03 0.00 0.00 46.19 45.67 2k4k s LEU 74 CO 0.28 -0.55 -0.09 -0.44 0.23 0.00 0.00 176.35 175.78 2k4k s SER 75 N -3.37 1.17 0.00 2.29 0.01 -0.27 -3.06 113.70 110.47 2k4k s SER 75 Ca 0.32 -0.69 0.00 0.00 1.31 0.00 0.00 55.95 56.89 2k4k s SER 75 Cb 0.07 0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.32 2k4k s SER 75 CO 0.11 -0.23 0.00 -0.38 0.41 0.00 0.00 173.24 173.15 2k4k n ILE 76 N 1.01 0.00 0.00 1.44 2.08 -0.35 -1.92 119.36 121.61 2k4k n ILE 76 Ca -0.19 0.00 0.21 0.00 0.56 0.00 0.00 62.75 63.33 2k4k n ILE 76 Cb 0.56 0.43 0.72 0.00 -0.75 0.00 0.00 39.64 40.60 2k4k n ILE 76 CO 0.00 0.00 0.00 0.08 0.56 0.00 0.00 176.55 177.19 2k4k h ARG 77 N 0.00 0.00 0.00 0.38 0.11 -0.53 0.55 114.38 114.89 2k4k h ARG 77 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2k4k h ARG 77 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 2k4k h ARG 77 CO 0.00 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.07 2k4k h ALA 78 N 1.66 1.00 0.00 0.08 0.00 -1.82 -3.38 119.26 116.80 2k4k h ALA 78 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2k4k h ALA 78 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2k4k h ALA 78 CO -0.00 0.00 -0.42 0.25 0.00 0.00 0.00 179.25 179.08 2k4k n THR 79 N -2.93 0.00 -3.97 0.00 -2.24 -0.01 -4.98 114.28 100.15 2k4k n THR 79 Ca 0.02 -0.20 -0.09 0.00 -2.27 0.00 0.00 64.05 61.52 2k4k n THR 79 Cb 0.39 0.69 -0.10 0.00 -2.10 0.00 0.00 70.33 69.22 2k4k n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k4k s GLN 80 N -1.23 0.49 0.01 -0.78 -2.07 -0.07 -4.98 119.66 111.03 2k4k s GLN 80 Ca 0.00 -0.77 0.22 0.00 -1.82 0.00 0.00 55.36 52.99 2k4k s GLN 80 Cb 0.00 0.18 -0.22 0.00 -1.09 0.00 0.00 33.01 31.88 2k4k s GLN 80 CO 0.00 -0.10 0.72 0.00 -1.32 0.00 0.00 175.29 174.58 2k4k n ALA 81 N 0.97 3.39 -3.54 2.60 0.00 -1.26 -4.27 120.51 118.40 2k4k n ALA 81 Ca -0.20 -0.50 -0.10 0.00 0.00 0.00 0.00 53.44 52.64 2k4k n ALA 81 Cb 0.58 -0.82 -0.02 0.00 0.00 0.00 0.00 19.45 19.19 2k4k n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k4k s ALA 82 N -3.32 -1.58 1.19 0.00 0.00 -1.26 -4.83 121.76 111.96 2k4k s ALA 82 Ca -0.01 0.43 -0.15 0.00 0.00 0.00 0.00 51.96 52.23 2k4k s ALA 82 Cb 0.14 0.77 0.29 0.00 0.00 0.00 0.00 23.12 24.32 2k4k s ALA 82 CO 0.87 -0.82 1.02 -1.25 0.00 0.00 0.00 175.76 175.58 2k4k s PRO 83 N -3.62 -1.15 0.69 0.00 0.04 -1.26 -5.00 135.00 124.70 2k4k s PRO 83 Ca 0.04 0.61 -0.16 0.00 0.04 0.00 0.00 61.00 61.53 2k4k s PRO 83 Cb -0.02 -1.54 -0.02 0.00 0.04 0.00 0.00 34.50 32.96 2k4k s PRO 83 CO -0.08 -3.82 0.82 -0.85 0.04 0.00 0.00 177.00 173.11 2k4k n GLU 84 N -4.95 0.51 -0.80 4.56 0.28 -1.26 -5.00 120.64 113.98 2k4k n GLU 84 Ca 0.05 0.22 -0.31 0.00 -0.16 0.00 0.00 57.16 56.96 2k4k n GLU 84 Cb 0.56 -2.07 0.16 0.00 1.43 0.00 0.00 31.44 31.51 2k4k n GLU 84 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2k4k s LYS 85 N -3.01 1.16 0.19 3.44 1.02 -1.26 -5.08 119.74 116.20 2k4k s LYS 85 Ca 0.71 1.44 -0.03 0.00 0.02 0.00 0.00 55.97 58.11 2k4k s LYS 85 Cb -0.36 -1.75 -0.03 0.00 -0.52 0.00 0.00 37.83 35.16 2k4k s LYS 85 CO 0.52 -2.49 0.17 -1.59 -0.92 0.00 0.00 175.35 171.04 2k4k s LYS 86 N -4.69 1.18 0.50 1.68 -2.85 -1.26 -5.15 119.74 109.15 2k4k s LYS 86 Ca 0.66 -1.51 -0.23 0.00 -1.00 0.00 0.00 55.97 53.89 2k4k s LYS 86 Cb -0.22 0.30 -0.07 0.00 -2.06 0.00 0.00 37.83 35.78 2k4k s LYS 86 CO 0.58 -0.40 1.33 -1.91 0.10 0.00 0.00 175.35 175.06 2k4k n GLU 87 N -0.24 1.81 0.09 1.78 4.07 -1.26 -4.95 120.64 121.94 2k4k n GLU 87 Ca -0.01 0.66 -0.07 0.00 -0.06 0.00 0.00 57.16 57.68 2k4k n GLU 87 Cb 0.65 -2.52 0.00 0.00 -0.06 0.00 0.00 31.44 29.50 2k4k n GLU 87 CO 0.00 0.00 0.00 0.77 -0.06 0.00 0.00 177.13 177.84 2k4k h SER 88 N 1.69 0.19 -1.15 4.31 0.02 -2.06 -3.39 113.55 113.16 2k4k h SER 88 Ca -0.50 -0.16 -0.40 0.00 -0.84 0.00 0.00 61.79 59.89 2k4k h SER 88 Cb 1.30 -0.06 -0.29 0.00 0.14 0.00 0.00 62.40 63.49 2k4k h SER 88 CO 0.58 0.96 -0.86 2.29 -1.14 0.00 0.00 176.83 178.66 2k4k n LYS 89 N -3.64 0.84 -1.24 3.45 2.85 -1.26 -5.14 118.16 114.01 2k4k n LYS 89 Ca -0.03 -2.66 -0.33 0.00 -1.05 0.00 0.00 58.31 54.24 2k4k n LYS 89 Cb 0.80 -1.36 0.11 0.00 -0.65 0.00 0.00 35.03 33.92 2k4k n LYS 89 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 2k4k s PRO 90 N -0.76 1.93 0.00 -1.58 0.04 -1.26 -4.93 135.00 128.44 2k4k s PRO 90 Ca 0.33 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.93 2k4k s PRO 90 Cb 0.25 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.96 2k4k s PRO 90 CO -0.13 -1.95 0.00 -2.13 0.04 0.00 0.00 177.00 172.83 2k4k n ARG 91 N -3.23 0.03 -4.13 4.56 3.00 -1.26 -5.14 116.66 110.49 2k4k n ARG 91 Ca 0.12 0.00 -0.09 0.00 -0.00 0.00 0.00 57.85 57.88 2k4k n ARG 91 Cb 0.51 -0.04 -0.10 0.00 0.00 0.00 0.00 32.46 32.84 2k4k n ARG 91 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2k4k s LYS 92 N -0.94 0.74 0.97 -0.14 1.02 -1.26 -5.16 119.74 114.96 2k4k s LYS 92 Ca 0.00 -1.29 -0.13 0.00 0.02 0.00 0.00 55.97 54.57 2k4k s LYS 92 Cb 0.00 0.03 0.08 0.00 -0.52 0.00 0.00 37.83 37.42 2k4k s LYS 92 CO 0.00 -0.09 0.56 -2.30 -0.92 0.00 0.00 175.35 172.61 2k4k n PRO 93 N 0.02 -0.53 -0.11 -1.68 -0.02 -1.26 -4.98 135.00 126.44 2k4k n PRO 93 Ca -0.12 -0.11 0.05 0.00 -2.02 0.00 0.00 63.50 61.29 2k4k n PRO 93 Cb 0.61 -1.97 0.10 0.00 -0.02 0.00 0.00 33.50 32.22 2k4k n PRO 93 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2k4k n LYS 94 N -2.44 2.20 -0.62 -0.52 5.02 -1.26 -5.00 118.16 115.54 2k4k n LYS 94 Ca 0.07 -1.71 -0.30 0.00 -2.02 0.00 0.00 58.31 54.35 2k4k n LYS 94 Cb 0.54 -1.21 0.19 0.00 -0.02 0.00 0.00 35.03 34.54 2k4k n LYS 94 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k4k n ALA 95 N 0.37 -1.55 -1.68 7.82 0.00 -1.26 -4.93 120.51 119.28 2k4k n ALA 95 Ca 0.08 -0.75 -0.47 0.00 0.00 0.00 0.00 53.44 52.30 2k4k n ALA 95 Cb 0.35 -2.11 -0.04 0.00 0.00 0.00 0.00 19.45 17.64 2k4k n ALA 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k4k n ALA 96 N -4.45 1.14 -3.00 0.00 0.00 -1.26 -4.91 120.51 108.02 2k4k n ALA 96 Ca 0.09 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.85 2k4k n ALA 96 Cb 0.53 -2.49 0.00 0.00 0.00 0.00 0.00 19.45 17.49 2k4k n ALA 96 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2k4k n GLN 97 N 5.92 0.04 0.21 0.00 6.02 -1.26 -4.90 117.38 123.41 2k4k n GLN 97 Ca 0.21 0.00 0.18 0.00 -0.01 0.00 0.00 57.00 57.38 2k4k n GLN 97 Cb 0.31 0.00 0.81 0.00 1.02 0.00 0.00 30.24 32.38 2k4k n GLN 97 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 177.06 175.66 2k4k h VAL 98 N 0.00 0.24 -1.11 5.09 -1.51 -2.01 -0.33 116.25 116.63 2k4k h VAL 98 Ca 0.00 0.00 0.32 0.00 -1.23 0.00 0.00 66.70 65.79 2k4k h VAL 98 Cb 0.00 0.71 -0.05 0.00 -2.13 0.00 0.00 31.29 29.81 2k4k h VAL 98 CO 0.00 0.00 0.78 0.77 -1.23 0.00 0.00 177.57 177.89 2k4k h SER 99 N 0.00 0.07 0.01 4.19 4.64 -1.92 -0.45 113.55 120.09 2k4k h SER 99 Ca 0.10 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 2k4k h SER 99 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 2k4k h SER 99 CO -0.00 0.01 0.00 -0.08 -0.87 0.00 0.00 176.83 175.89 2k4k h GLU 100 N 0.06 0.00 -0.03 4.77 4.81 -1.40 -2.32 114.58 120.47 2k4k h GLU 100 Ca 0.54 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.77 2k4k h GLU 100 Cb 2.04 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.42 2k4k h GLU 100 CO -0.05 0.00 0.00 0.39 -0.73 0.00 0.00 179.01 178.62 2k4k n GLU 101 N -2.77 0.67 0.00 1.92 1.02 -0.20 -4.58 120.64 116.71 2k4k n GLU 101 Ca -0.02 -1.02 0.09 0.00 -0.02 0.00 0.00 57.16 56.19 2k4k n GLU 101 Cb 0.06 -1.06 0.54 0.00 -0.02 0.00 0.00 31.44 30.96 2k4k n GLU 101 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k4k n ALA 102 N 0.02 2.27 0.62 0.62 0.00 -0.87 -4.24 120.51 118.93 2k4k n ALA 102 Ca 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2k4k n ALA 102 Cb 0.15 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.31 2k4k n ALA 102 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2k4k n SER 103 N -0.93 0.62 -4.58 0.00 7.64 -1.26 -4.89 113.62 110.22 2k4k n SER 103 Ca 0.14 -1.23 -0.32 0.00 1.01 0.00 0.00 58.87 58.47 2k4k n SER 103 Cb 0.06 -0.31 0.15 0.00 -1.01 0.00 0.00 64.21 63.10 2k4k n SER 103 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2k4k n THR 104 N 0.19 0.12 -1.62 0.44 -2.24 -1.26 -4.87 114.28 105.04 2k4k n THR 104 Ca 0.00 -0.08 -0.54 0.00 -2.27 0.00 0.00 64.05 61.15 2k4k n THR 104 Cb 0.15 -0.87 -0.07 0.00 -2.10 0.00 0.00 70.33 67.45 2k4k n THR 104 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 2k4k n PRO 105 N -3.27 1.05 -3.86 -0.78 -0.02 -1.26 -4.94 135.00 121.92 2k4k n PRO 105 Ca 0.10 0.38 -0.07 0.00 -2.02 0.00 0.00 63.50 61.89 2k4k n PRO 105 Cb 0.52 -2.02 -0.02 0.00 -0.02 0.00 0.00 33.50 31.97 2k4k n PRO 105 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 2k4k s GLN 106 N 1.37 1.81 0.02 -0.52 -2.07 -1.26 -5.01 119.66 113.99 2k4k s GLN 106 Ca 0.89 -1.01 -0.28 0.00 -1.82 0.00 0.00 55.36 53.14 2k4k s GLN 106 Cb -1.02 0.61 0.10 0.00 -1.09 0.00 0.00 33.01 31.61 2k4k s GLN 106 CO 0.54 -0.83 0.85 0.20 -1.32 0.00 0.00 175.29 174.73 2k4k s GLY 107 N -2.93 -0.49 0.13 2.60 0.00 -1.26 -5.10 107.32 100.28 2k4k s GLY 107 Ca 0.11 0.95 -0.09 0.00 0.00 0.00 0.00 44.72 45.70 2k4k s GLY 107 CO 0.07 0.32 0.24 -1.36 0.00 0.00 0.00 173.10 172.37 2k4k s PHE 108 N -3.19 0.29 -0.09 1.90 0.40 -1.26 -4.48 117.98 111.55 2k4k s PHE 108 Ca 0.04 -0.69 -0.06 0.00 -0.60 0.00 0.00 56.93 55.63 2k4k s PHE 108 Cb -0.01 -0.06 0.04 0.00 0.51 0.00 0.00 43.02 43.49 2k4k s PHE 108 CO -0.09 -0.64 0.23 1.21 0.70 0.00 0.00 175.22 176.63 2k4k s ASN 109 N -2.92 -0.24 -0.01 1.36 2.47 -1.26 -5.05 114.94 109.29 2k4k s ASN 109 Ca 0.12 0.48 0.04 0.00 0.42 0.00 0.00 52.86 53.92 2k4k s ASN 109 Cb 0.04 0.41 0.07 0.00 -1.45 0.00 0.00 41.25 40.32 2k4k s ASN 109 CO -0.05 -0.13 1.03 0.35 -3.72 0.00 0.00 177.10 174.58 2k4k n THR 110 N 3.74 0.14 0.00 -5.21 -2.24 -1.26 -4.95 114.28 104.50 2k4k n THR 110 Ca -0.21 -0.27 -0.06 0.00 -2.27 0.00 0.00 64.05 61.24 2k4k n THR 110 Cb 0.55 0.50 0.13 0.00 -2.10 0.00 0.00 70.33 69.41 2k4k n THR 110 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2k4k h LEU 111 N 0.11 0.56-10.27 3.22 5.85 -2.04 -3.46 115.31 109.29 2k4k h LEU 111 Ca -0.02 -0.23 -0.51 0.00 0.84 0.00 0.00 57.88 57.95 2k4k h LEU 111 Cb 1.42 -0.16 0.10 0.00 0.37 0.00 0.00 40.66 42.40 2k4k h LEU 111 CO 0.01 0.88 0.35 -0.54 -0.34 0.00 0.00 178.44 178.80 2k4k s LYS 112 N -4.30 2.72 0.18 1.25 1.02 -1.26 -4.98 119.74 114.38 2k4k s LYS 112 Ca -0.07 1.19 -0.33 0.00 0.02 0.00 0.00 55.97 56.78 2k4k s LYS 112 Cb 0.13 -1.95 -0.13 0.00 -0.52 0.00 0.00 37.83 35.36 2k4k s LYS 112 CO 0.81 -1.29 1.68 -3.47 -0.92 0.00 0.00 175.35 172.17 2k4k n ASP 113 N -2.89 3.67 0.22 2.83 -0.08 -1.26 -4.73 116.55 114.31 2k4k n ASP 113 Ca 0.09 1.06 0.16 0.00 -1.51 0.00 0.00 54.79 54.59 2k4k n ASP 113 Cb 0.53 -1.52 0.83 0.00 2.34 0.00 0.00 41.12 43.30 2k4k n ASP 113 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 2k4k h LYS 114 N 6.66 0.00 0.00 -0.67 1.79 -1.93 0.96 116.57 123.37 2k4k h LYS 114 Ca -0.44 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.03 2k4k h LYS 114 Cb 1.22 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 2k4k h LYS 114 CO 0.93 0.00 0.00 -0.11 -1.08 0.00 0.00 179.45 179.19 2k4k n LEU 115 N -3.88 0.00 0.00 2.94 7.94 -1.26 -1.53 117.00 121.21 2k4k n LEU 115 Ca 0.01 0.46 0.00 0.00 -1.11 0.00 0.00 56.01 55.37 2k4k n LEU 115 Cb 0.28 -0.46 0.00 0.00 0.53 0.00 0.00 43.42 43.77 2k4k n LEU 115 CO 0.28 -0.45 -0.23 1.21 -1.11 0.00 0.00 177.39 177.09 2k4k n GLU 116 N -1.46 1.31 0.14 1.96 2.13 -0.23 -4.82 120.64 119.66 2k4k n GLU 116 Ca 0.00 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.81 2k4k n GLU 116 Cb 0.01 -0.73 0.21 0.00 0.27 0.00 0.00 31.44 31.20 2k4k n GLU 116 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 2k4k h GLU 117 N 0.00 0.06 -7.00 5.31 4.81 -0.86 -3.48 114.58 113.42 2k4k h GLU 117 Ca 0.00 -0.03 -0.58 0.00 -0.13 0.00 0.00 59.36 58.61 2k4k h GLU 117 Cb 0.45 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.80 2k4k h GLU 117 CO 0.00 0.59 -0.97 0.91 -0.73 0.00 0.00 179.01 178.81 2k4k n TRP 118 N -3.90 -1.29 0.75 0.92 7.02 -0.58 -4.83 117.44 115.53 2k4k n TRP 118 Ca -0.02 0.11 0.00 0.00 -1.02 0.00 0.00 57.50 56.57 2k4k n TRP 118 Cb 0.56 -2.63 0.00 0.00 -2.42 0.00 0.00 31.31 26.82 2k4k n TRP 118 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 2k4k n ILE 119 N -4.87 0.58 -1.96 -0.99 -5.35 -1.26 -4.90 119.36 100.62 2k4k n ILE 119 Ca -0.13 0.00 -0.41 0.00 -0.27 0.00 0.00 62.75 61.94 2k4k n ILE 119 Cb 0.55 -0.76 -0.01 0.00 -1.74 0.00 0.00 39.64 37.68 2k4k n ILE 119 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 2k4k s GLU 120 N -0.02 4.23 -0.37 6.28 0.41 -1.26 -4.80 118.70 123.17 2k4k s GLU 120 Ca 0.00 2.39 -0.37 0.00 -0.41 0.00 0.00 54.97 56.58 2k4k s GLU 120 Cb 0.00 -3.03 -0.13 0.00 -1.78 0.00 0.00 34.13 29.19 2k4k s GLU 120 CO 0.00 -0.37 2.16 -1.33 -0.49 0.00 0.00 175.26 175.22 2k4k n MET 121 N 0.83 0.88 -1.70 1.61 2.81 -1.26 -1.78 117.12 118.52 2k4k n MET 121 Ca 0.01 0.25 -0.17 0.00 -1.81 0.00 0.00 57.70 55.97 2k4k n MET 121 Cb 0.40 -2.26 -0.06 0.00 -0.71 0.00 0.00 33.22 30.59 2k4k n MET 121 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 2k4k n SER 122 N 9.17 -4.68 0.21 7.83 7.64 -1.26 -4.86 113.62 127.67 2k4k n SER 122 Ca 0.43 0.35 0.15 0.00 1.01 0.00 0.00 58.87 60.81 2k4k n SER 122 Cb 0.17 -4.15 0.66 0.00 -1.01 0.00 0.00 64.21 59.88 2k4k n SER 122 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2k4k h ASN 123 N 0.00 0.00 -5.19 6.43 7.08 -1.70 -3.43 115.58 118.78 2k4k h ASN 123 Ca -0.37 0.00 -0.10 0.00 -3.08 0.00 0.00 56.30 52.75 2k4k h ASN 123 Cb 1.17 0.00 -0.14 0.00 -2.08 0.00 0.00 38.32 37.27 2k4k h ASN 123 CO 0.51 0.00 -0.47 0.00 -2.08 0.00 0.00 177.43 175.40 2k4k s ARG 124 N -3.56 0.78 0.37 4.14 1.70 -1.26 -5.05 118.95 116.07 2k4k s ARG 124 Ca 0.01 -1.05 0.08 0.00 -0.47 0.00 0.00 55.73 54.30 2k4k s ARG 124 Cb 0.09 0.30 0.71 0.00 -0.57 0.00 0.00 34.95 35.49 2k4k s ARG 124 CO 0.42 -0.22 1.90 1.57 -1.08 0.00 0.00 175.30 177.88 2k4k h LYS 125 N 2.87 0.34 -1.32 3.89 2.10 -2.01 -3.12 116.57 119.32 2k4k h LYS 125 Ca -0.34 -0.08 -0.12 0.00 -2.00 0.00 0.00 60.65 58.11 2k4k h LYS 125 Cb 1.18 -0.05 -0.06 0.00 -0.90 0.00 0.00 32.23 32.40 2k4k h LYS 125 CO 0.59 0.44 0.15 -3.47 -2.00 0.00 0.00 179.45 175.17 2k4k n ASP 126 N -4.27 4.25 -4.77 7.07 2.03 -1.26 -4.88 116.55 114.71 2k4k n ASP 126 Ca 0.00 -2.48 -0.39 0.00 0.52 0.00 0.00 54.79 52.44 2k4k n ASP 126 Cb 0.26 -0.79 -0.02 0.00 -0.72 0.00 0.00 41.12 39.85 2k4k n ASP 126 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2k4k s LEU 127 N -0.72 4.28 0.38 -2.67 1.98 -1.18 -5.02 118.68 115.73 2k4k s LEU 127 Ca 0.12 2.38 -0.27 0.00 -2.89 0.00 0.00 54.13 53.47 2k4k s LEU 127 Cb 0.10 -3.92 -0.11 0.00 0.66 0.00 0.00 46.19 42.93 2k4k s LEU 127 CO 0.01 -0.57 1.35 2.30 -1.89 0.00 0.00 176.35 177.55 2k4k n ILE 128 N 0.34 2.20 -3.66 6.68 -5.35 -1.26 -5.02 119.36 113.29 2k4k n ILE 128 Ca 0.03 -0.50 -0.06 0.00 -0.27 0.00 0.00 62.75 61.95 2k4k n ILE 128 Cb 0.46 -1.70 -0.02 0.00 -1.74 0.00 0.00 39.64 36.64 2k4k n ILE 128 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 2k4k s LYS 129 N -2.07 1.13 0.00 6.28 -2.85 -1.26 -5.13 119.74 115.84 2k4k s LYS 129 Ca 0.57 -0.56 0.00 0.00 -1.00 0.00 0.00 55.97 54.98 2k4k s LYS 129 Cb -0.52 0.43 0.00 0.00 -2.06 0.00 0.00 37.83 35.68 2k4k s LYS 129 CO 0.61 -0.51 0.29 1.63 0.10 0.00 0.00 175.35 177.48