#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4k n ALA 2 N 0.00 -0.76 -1.96 -5.12 0.00 -1.26 -4.98 120.51 106.43 2k4k n ALA 2 Ca 0.00 0.07 -0.25 0.00 0.00 0.00 0.00 53.44 53.25 2k4k n ALA 2 Cb 0.00 -1.08 0.12 0.00 0.00 0.00 0.00 19.45 18.49 2k4k n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k4k s ALA 3 N -2.27 3.22 0.26 0.00 0.00 -1.26 -4.99 121.76 116.73 2k4k s ALA 3 Ca 0.00 -1.42 -0.01 0.00 0.00 0.00 0.00 51.96 50.52 2k4k s ALA 3 Cb 0.00 -2.32 0.48 0.00 0.00 0.00 0.00 23.12 21.27 2k4k s ALA 3 CO 0.00 -1.66 1.82 0.87 0.00 0.00 0.00 175.76 176.80 2k4k h LYS 4 N -0.81 0.88 -5.84 0.00 1.57 -2.06 -3.43 116.57 106.88 2k4k h LYS 4 Ca -0.40 -0.05 -0.51 0.00 -1.87 0.00 0.00 60.65 57.81 2k4k h LYS 4 Cb 1.27 -0.20 -0.23 0.00 0.08 0.00 0.00 32.23 33.15 2k4k h LYS 4 CO 0.44 0.58 -0.81 -0.06 -0.57 0.00 0.00 179.45 179.03 2k4k s PHE 5 N -5.99 1.58 0.02 -1.35 0.08 -1.26 -5.14 117.98 105.92 2k4k s PHE 5 Ca -0.12 -0.41 -0.01 0.00 0.12 0.00 0.00 56.93 56.51 2k4k s PHE 5 Cb 0.21 -0.89 -0.02 0.00 -0.57 0.00 0.00 43.02 41.75 2k4k s PHE 5 CO 0.80 0.13 -0.01 -1.21 -0.10 0.00 0.00 175.22 174.82 2k4k s GLU 6 N -1.67 0.37 0.15 0.44 0.41 -1.26 -4.74 118.70 112.40 2k4k s GLU 6 Ca 0.04 -0.67 -0.34 0.00 -0.41 0.00 0.00 54.97 53.58 2k4k s GLU 6 Cb -0.10 0.13 -0.15 0.00 -1.78 0.00 0.00 34.13 32.24 2k4k s GLU 6 CO 0.03 -0.07 1.49 1.33 -0.49 0.00 0.00 175.26 177.56 2k4k n VAL 7 N 1.38 0.10 0.00 2.63 0.24 -1.26 -1.74 118.33 119.68 2k4k n VAL 7 Ca -0.23 -0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 2k4k n VAL 7 Cb 0.56 -1.33 0.00 0.00 -1.47 0.00 0.00 33.84 31.60 2k4k n VAL 7 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k4k n GLY 8 N 3.05 2.96 3.61 7.63 0.00 -0.39 -4.86 105.19 117.18 2k4k n GLY 8 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.23 2.19 -0.05 1.61 0.01 -0.71 -4.72 113.70 110.79 2k4k s SER 9 Ca 0.00 2.01 0.01 0.00 1.31 0.00 0.00 55.95 59.28 2k4k s SER 9 Cb 0.00 -2.50 0.02 0.00 0.21 0.00 0.00 66.02 63.75 2k4k s SER 9 CO 0.00 -3.53 -0.06 -0.69 0.41 0.00 0.00 173.24 169.37 2k4k s VAL 10 N -2.57 0.66 0.28 3.43 1.01 0.14 -0.56 120.40 122.79 2k4k s VAL 10 Ca 0.68 -0.19 0.03 0.00 0.00 0.00 0.00 61.98 62.49 2k4k s VAL 10 Cb -0.24 -0.66 -0.03 0.00 0.00 0.00 0.00 36.38 35.45 2k4k s VAL 10 CO 0.60 0.25 0.24 -0.31 0.00 0.00 0.00 175.10 175.89 2k4k s TYR 11 N 0.86 1.44 0.03 5.22 2.02 -0.43 -0.85 117.35 125.65 2k4k s TYR 11 Ca -0.12 -1.51 0.06 0.00 -0.37 0.00 0.00 57.07 55.14 2k4k s TYR 11 Cb -0.15 -0.59 -0.03 0.00 -0.40 0.00 0.00 41.96 40.79 2k4k s TYR 11 CO 0.01 -0.81 -0.16 0.99 -1.57 0.00 0.00 175.55 174.01 2k4k s THR 12 N -3.70 2.95 0.30 -0.71 2.01 -1.26 -0.58 115.64 114.64 2k4k s THR 12 Ca 0.39 -1.10 -0.07 0.00 0.31 0.00 0.00 61.69 61.23 2k4k s THR 12 Cb 0.04 -2.25 0.03 0.00 0.01 0.00 0.00 72.50 70.33 2k4k s THR 12 CO 0.21 0.36 0.51 0.61 -0.69 0.00 0.00 174.62 175.61 2k4k n GLY 13 N 1.58 1.75 3.16 4.40 0.00 -0.18 -4.80 105.19 111.11 2k4k n GLY 13 Ca -0.16 -1.39 -0.26 0.00 0.00 0.00 0.00 46.02 44.21 2k4k n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k4k s LYS 14 N -2.37 1.71 -0.04 1.61 1.02 -0.24 -1.10 119.74 120.32 2k4k s LYS 14 Ca 0.18 -0.65 -0.30 0.00 0.02 0.00 0.00 55.97 55.23 2k4k s LYS 14 Cb -0.02 -1.54 -0.04 0.00 -0.52 0.00 0.00 37.83 35.71 2k4k s LYS 14 CO 0.13 0.32 1.26 0.08 -0.92 0.00 0.00 175.35 176.22 2k4k s VAL 15 N -0.17 4.08 -0.38 3.17 1.01 -0.05 -1.04 120.40 127.02 2k4k s VAL 15 Ca 0.01 1.43 0.16 0.00 0.00 0.00 0.00 61.98 63.58 2k4k s VAL 15 Cb -0.10 -3.92 -0.21 0.00 0.00 0.00 0.00 36.38 32.15 2k4k s VAL 15 CO 0.01 0.00 0.51 0.35 0.00 0.00 0.00 175.10 175.97 2k4k n THR 16 N 4.61 0.00 -3.60 3.92 -2.24 0.01 -1.10 114.28 115.88 2k4k n THR 16 Ca 0.12 -0.25 0.01 0.00 -2.27 0.00 0.00 64.05 61.65 2k4k n THR 16 Cb 0.45 0.57 -0.01 0.00 -2.10 0.00 0.00 70.33 69.25 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 -3.15 -0.38 0.15 3.38 0.00 -1.21 -4.92 107.32 101.19 2k4k s GLY 17 Ca 0.00 1.23 0.09 0.00 0.00 0.00 0.00 44.72 46.05 2k4k s GLY 17 CO 0.65 0.33 -0.17 1.08 0.00 0.00 0.00 173.10 174.99 2k4k s LEU 18 N -2.64 2.73 0.07 0.66 1.43 -1.26 -0.96 118.68 118.71 2k4k s LEU 18 Ca 0.13 -0.63 -0.02 0.00 -1.03 0.00 0.00 54.13 52.59 2k4k s LEU 18 Cb 0.04 -1.50 -0.03 0.00 0.03 0.00 0.00 46.19 44.72 2k4k s LEU 18 CO -0.05 0.15 0.02 -1.10 0.23 0.00 0.00 176.35 175.60 2k4k s GLN 19 N -2.45 0.71 0.00 1.70 -1.52 0.55 -4.97 119.66 113.68 2k4k s GLN 19 Ca 0.20 -1.23 0.01 0.00 -1.95 0.00 0.00 55.36 52.40 2k4k s GLN 19 Cb -0.10 0.24 0.07 0.00 -0.22 0.00 0.00 33.01 33.00 2k4k s GLN 19 CO 0.11 -0.17 0.90 0.00 -0.25 0.00 0.00 175.29 175.89 2k4k n ALA 20 N 0.04 1.22 -0.38 6.09 0.00 -1.26 -1.98 120.51 124.24 2k4k n ALA 20 Ca -0.12 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2k4k n ALA 20 Cb 0.62 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 19.04 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 -1.35 0.00 -1.24 0.00 0.18 -1.26 -4.97 117.16 108.52 2k4k n TYR 21 Ca 0.01 -0.02 0.00 0.00 1.88 0.00 0.00 57.90 59.76 2k4k n TYR 21 Cb 0.01 -0.00 0.00 0.00 -0.38 0.00 0.00 39.34 38.97 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 -0.02 -2.20 3.07 -7.48 0.00 -0.84 -1.17 105.19 96.56 2k4k n GLY 22 Ca 0.00 -1.23 -0.32 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 -1.68 2.20 0.33 4.61 0.00 0.03 -0.33 121.76 126.93 2k4k s ALA 23 Ca 0.00 -1.20 -0.28 0.00 0.00 0.00 0.00 51.96 50.48 2k4k s ALA 23 Cb 0.00 -1.21 -0.09 0.00 0.00 0.00 0.00 23.12 21.82 2k4k s ALA 23 CO 0.00 -0.51 1.16 -0.06 0.00 0.00 0.00 175.76 176.35 2k4k s PHE 24 N 1.33 3.31 -0.13 0.00 0.08 -0.13 -0.76 117.98 121.68 2k4k s PHE 24 Ca 0.03 1.60 -0.03 0.00 0.12 0.00 0.00 56.93 58.64 2k4k s PHE 24 Cb -0.14 -3.38 0.05 0.00 -0.57 0.00 0.00 43.02 38.97 2k4k s PHE 24 CO -0.11 -1.04 0.06 0.08 -0.10 0.00 0.00 175.22 174.11 2k4k s VAL 25 N -1.26 0.09 0.40 -0.44 1.01 -0.37 -0.81 120.40 119.01 2k4k s VAL 25 Ca 0.50 -0.04 -0.25 0.00 0.00 0.00 0.00 61.98 62.19 2k4k s VAL 25 Cb -0.32 -0.54 -0.08 0.00 0.00 0.00 0.00 36.38 35.43 2k4k s VAL 25 CO 0.42 -0.06 1.18 0.00 0.00 0.00 0.00 175.10 176.63 2k4k s ALA 26 N 2.07 3.17 0.00 5.51 0.00 -0.20 -1.05 121.76 131.26 2k4k s ALA 26 Ca 0.03 0.98 0.00 0.00 0.00 0.00 0.00 51.96 52.97 2k4k s ALA 26 Cb -0.15 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.59 2k4k s ALA 26 CO -0.07 -0.54 0.00 1.28 0.00 0.00 0.00 175.76 176.43 2k4k n LEU 27 N 0.10 0.00 -3.87 0.00 4.77 -0.19 -1.08 117.00 116.73 2k4k n LEU 27 Ca 0.04 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.93 2k4k n LEU 27 Cb 0.46 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.49 2k4k n LEU 27 CO 0.51 0.00 0.09 -0.62 -1.33 0.00 0.00 177.39 176.04 2k4k s ASP 28 N -2.40 -0.07 0.66 -1.43 2.15 -0.58 -4.83 116.67 110.16 2k4k s ASP 28 Ca 0.00 -0.72 0.30 0.00 0.43 0.00 0.00 52.55 52.56 2k4k s ASP 28 Cb 0.00 0.49 1.61 0.00 -0.30 0.00 0.00 42.92 44.72 2k4k s ASP 28 CO 0.00 -0.96 1.92 -0.33 -0.17 0.00 0.00 175.17 175.63 2k4k h GLU 29 N 2.41 0.00 0.00 4.34 5.08 -2.04 -2.54 114.58 121.83 2k4k h GLU 29 Ca -0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 2k4k h GLU 29 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2k4k h GLU 29 CO 0.44 0.00 -0.08 0.39 -1.00 0.00 0.00 179.01 178.76 2k4k n GLU 30 N -3.00 0.93 -3.84 2.33 1.02 -1.26 -5.08 120.64 111.74 2k4k n GLU 30 Ca -0.01 -1.04 -0.12 0.00 -0.02 0.00 0.00 57.16 55.97 2k4k n GLU 30 Cb 0.41 -0.73 -0.11 0.00 -0.02 0.00 0.00 31.44 30.99 2k4k n GLU 30 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2k4k s THR 31 N -0.54 0.04 0.08 2.62 2.01 -0.96 -5.11 115.64 113.78 2k4k s THR 31 Ca 0.03 -0.32 -0.16 0.00 0.31 0.00 0.00 61.69 61.54 2k4k s THR 31 Cb 0.03 -0.32 0.03 0.00 0.01 0.00 0.00 72.50 72.24 2k4k s THR 31 CO 0.00 -0.18 0.38 -1.58 -0.69 0.00 0.00 174.62 172.56 2k4k s GLN 32 N -0.59 0.96 0.17 4.92 0.74 -1.26 -1.02 119.66 123.57 2k4k s GLN 32 Ca -0.07 -0.54 0.02 0.00 0.05 0.00 0.00 55.36 54.82 2k4k s GLN 32 Cb -0.04 0.42 -0.01 0.00 1.10 0.00 0.00 33.01 34.48 2k4k s GLN 32 CO 0.01 -0.34 0.18 0.41 -0.55 0.00 0.00 175.29 175.00 2k4k n GLY 33 N 0.22 3.13 2.79 2.59 0.00 -0.21 -4.03 105.19 109.68 2k4k n GLY 33 Ca -0.17 -1.66 -0.27 0.00 0.00 0.00 0.00 46.02 43.92 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 1.21 -0.15 0.99 2.96 -0.67 -1.23 118.68 121.79 2k4k s LEU 34 Ca 0.18 -0.63 -0.29 0.00 -0.22 0.00 0.00 54.13 53.17 2k4k s LEU 34 Cb 0.00 -0.66 -0.03 0.00 0.50 0.00 0.00 46.19 46.00 2k4k s LEU 34 CO 0.12 -0.25 1.52 -0.69 -1.32 0.00 0.00 176.35 175.74 2k4k s VAL 35 N 1.81 3.84 0.45 1.68 1.01 0.06 -0.95 120.40 128.29 2k4k s VAL 35 Ca 0.01 0.99 -0.23 0.00 0.00 0.00 0.00 61.98 62.75 2k4k s VAL 35 Cb -0.16 -3.72 -0.08 0.00 0.00 0.00 0.00 36.38 32.43 2k4k s VAL 35 CO -0.07 -0.17 1.13 -2.28 0.00 0.00 0.00 175.10 173.70 2k4k s HIS 36 N 4.26 2.96 0.28 5.22 2.46 -1.22 -0.79 115.29 128.47 2k4k s HIS 36 Ca 0.67 1.56 -0.01 0.00 0.47 0.00 0.00 55.06 57.75 2k4k s HIS 36 Cb -0.27 -3.29 0.46 0.00 -0.13 0.00 0.00 32.58 29.35 2k4k s HIS 36 CO 0.25 -1.26 1.90 0.97 -2.47 0.00 0.00 174.74 174.13 2k4k h ILE 37 N 1.88 1.08 0.00 0.89 2.10 -1.49 -0.12 117.51 121.85 2k4k h ILE 37 Ca -0.49 -0.38 0.00 0.00 1.08 0.00 0.00 64.86 65.07 2k4k h ILE 37 Cb 1.24 -0.13 0.00 0.00 -1.09 0.00 0.00 36.82 36.84 2k4k h ILE 37 CO 0.60 0.20 0.00 -1.20 -1.08 0.00 0.00 178.15 176.68 2k4k n SER 38 N -4.49 0.00 -0.16 2.19 7.64 -1.26 -1.73 113.62 115.80 2k4k n SER 38 Ca 0.15 0.30 0.02 0.00 1.01 0.00 0.00 58.87 60.34 2k4k n SER 38 Cb 0.19 -0.39 0.03 0.00 -1.01 0.00 0.00 64.21 63.03 2k4k n SER 38 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2k4k n GLU 39 N -1.39 1.86 0.19 1.43 4.71 -0.10 -4.59 120.64 122.75 2k4k n GLU 39 Ca 0.04 -1.35 0.04 0.00 -0.01 0.00 0.00 57.16 55.88 2k4k n GLU 39 Cb 0.11 -1.07 0.36 0.00 -1.01 0.00 0.00 31.44 29.83 2k4k n GLU 39 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2k4k h VAL 40 N 0.58 1.06 -3.05 2.62 2.07 -0.88 0.21 116.25 118.86 2k4k h VAL 40 Ca 0.00 -1.44 -0.10 0.00 0.82 0.00 0.00 66.70 65.98 2k4k h VAL 40 Cb 0.43 1.83 -0.18 0.00 -1.52 0.00 0.00 31.29 31.84 2k4k h VAL 40 CO 0.00 0.38 -0.21 -0.89 0.02 0.00 0.00 177.57 176.87 2k4k s THR 41 N -3.85 0.06 -0.12 2.57 2.01 -1.26 -4.20 115.64 110.86 2k4k s THR 41 Ca -0.01 -0.51 -0.06 0.00 0.31 0.00 0.00 61.69 61.42 2k4k s THR 41 Cb 0.13 -0.79 -0.22 0.00 0.01 0.00 0.00 72.50 71.62 2k4k s THR 41 CO 0.70 -0.28 3.21 1.57 -0.69 0.00 0.00 174.62 179.13 2k4k n HIS 42 N 0.92 0.17 -3.28 4.92 -0.00 -1.26 -4.61 115.22 112.07 2k4k n HIS 42 Ca -0.20 -1.44 0.00 0.00 0.46 0.00 0.00 57.72 56.54 2k4k n HIS 42 Cb 0.58 -1.52 0.00 0.00 -0.12 0.00 0.00 29.99 28.92 2k4k n HIS 42 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2k4k n GLY 43 N 2.65 -0.65 3.57 1.57 0.00 -1.26 -4.97 105.19 106.09 2k4k n GLY 43 Ca 0.40 -0.77 -0.35 0.00 0.00 0.00 0.00 46.02 45.30 2k4k n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2k4k n PHE 44 N 2.56 0.23 -3.84 1.61 3.72 -1.26 -4.99 117.46 115.49 2k4k n PHE 44 Ca 0.00 0.37 -0.29 0.00 -0.05 0.00 0.00 57.45 57.48 2k4k n PHE 44 Cb 0.00 -2.02 -0.13 0.00 -0.94 0.00 0.00 39.48 36.39 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 -1.94 2.17 0.22 -4.37 1.01 -1.26 -4.81 120.40 111.42 2k4k s VAL 45 Ca 0.70 -3.22 -0.08 0.00 0.00 0.00 0.00 61.98 59.38 2k4k s VAL 45 Cb -0.33 -2.49 0.16 0.00 0.00 0.00 0.00 36.38 33.72 2k4k s VAL 45 CO 0.54 -0.89 1.79 0.50 0.00 0.00 0.00 175.10 177.04 2k4k h LYS 46 N 6.34 0.62 -2.33 2.72 1.63 -1.95 -3.41 116.57 120.18 2k4k h LYS 46 Ca -0.00 -0.04 -0.07 0.00 -0.85 0.00 0.00 60.65 59.69 2k4k h LYS 46 Cb 0.88 -0.14 -0.23 0.00 -0.60 0.00 0.00 32.23 32.14 2k4k h LYS 46 CO 0.62 0.41 -0.06 0.34 -3.45 0.00 0.00 179.45 177.30 2k4k s ASP 47 N -5.54 -0.64 0.32 4.20 -1.08 -1.26 -5.07 116.67 107.61 2k4k s ASP 47 Ca -0.13 1.18 0.00 0.00 -0.52 0.00 0.00 52.55 53.08 2k4k s ASP 47 Cb 0.17 1.15 0.54 0.00 -1.46 0.00 0.00 42.92 43.33 2k4k s ASP 47 CO 0.76 -0.20 1.99 -0.29 0.52 0.00 0.00 175.17 177.95 2k4k h ILE 48 N 4.51 1.18 0.00 4.11 2.10 -1.93 -1.28 117.51 126.20 2k4k h ILE 48 Ca -0.29 -0.34 0.00 0.00 1.08 0.00 0.00 64.86 65.31 2k4k h ILE 48 Cb 1.18 0.11 0.00 0.00 -1.09 0.00 0.00 36.82 37.02 2k4k h ILE 48 CO 0.16 0.18 0.00 -0.55 -1.08 0.00 0.00 178.15 176.86 2k4k h ASN 49 N 0.99 0.00 -0.05 2.19 7.08 -1.97 0.59 115.58 124.41 2k4k h ASN 49 Ca 0.27 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.49 2k4k h ASN 49 Cb -0.10 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.14 2k4k h ASN 49 CO -0.06 0.00 0.00 -0.62 -2.08 0.00 0.00 177.43 174.67 2k4k n GLU 50 N -2.97 1.50 0.00 4.14 -0.58 -0.49 -4.23 120.64 118.01 2k4k n GLU 50 Ca -0.00 -0.73 0.00 0.00 -0.42 0.00 0.00 57.16 56.00 2k4k n GLU 50 Cb 0.21 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 29.64 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 -0.10 0.00 -4.02 -0.32 8.25 -0.64 -4.95 115.22 113.44 2k4k n HIS 51 Ca 0.19 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.55 2k4k n HIS 51 Cb 0.28 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.32 2k4k n HIS 51 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2k4k s LEU 52 N -1.56 0.68 -0.14 2.41 1.98 0.10 -4.98 118.68 117.18 2k4k s LEU 52 Ca 0.00 -0.99 -0.09 0.00 -2.89 0.00 0.00 54.13 50.15 2k4k s LEU 52 Cb 0.00 1.31 0.05 0.00 0.66 0.00 0.00 46.19 48.21 2k4k s LEU 52 CO 0.00 -1.00 0.34 -0.44 -1.89 0.00 0.00 176.35 173.36 2k4k s SER 53 N -3.03 -0.39 0.58 3.68 0.01 -1.26 -4.25 113.70 109.04 2k4k s SER 53 Ca 0.24 0.72 -0.19 0.00 1.31 0.00 0.00 55.95 58.03 2k4k s SER 53 Cb 0.02 0.65 -0.04 0.00 0.21 0.00 0.00 66.02 66.86 2k4k s SER 53 CO 0.07 -0.16 1.15 -0.69 0.41 0.00 0.00 173.24 174.02 2k4k s VAL 54 N 0.89 3.01 -1.01 3.43 1.01 -1.26 -3.82 120.40 122.65 2k4k s VAL 54 Ca -0.06 0.60 0.00 0.00 0.00 0.00 0.00 61.98 62.53 2k4k s VAL 54 Cb -0.07 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.10 2k4k s VAL 54 CO -0.07 -0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.48 2k4k n GLY 55 N 0.16 0.01 3.46 4.51 0.00 -0.26 -4.97 105.19 108.10 2k4k n GLY 55 Ca 0.12 -0.41 -0.23 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.51 3.43 -0.15 1.61 2.15 -1.25 -4.93 116.67 115.02 2k4k s ASP 56 Ca 0.00 -1.05 -0.09 0.00 0.43 0.00 0.00 52.55 51.84 2k4k s ASP 56 Cb 0.00 -0.28 -0.04 0.00 -0.30 0.00 0.00 42.92 42.30 2k4k s ASP 56 CO 0.00 -0.03 0.14 -0.70 -0.17 0.00 0.00 175.17 174.42 2k4k s GLU 57 N -3.55 3.79 -0.01 4.34 2.12 -1.26 -0.88 118.70 123.25 2k4k s GLU 57 Ca 0.29 -0.15 -0.05 0.00 0.36 0.00 0.00 54.97 55.42 2k4k s GLU 57 Cb -0.03 -3.29 0.00 0.00 0.26 0.00 0.00 34.13 31.06 2k4k s GLU 57 CO 0.14 0.56 0.11 0.14 -0.54 0.00 0.00 175.26 175.67 2k4k s VAL 58 N -0.40 0.06 -0.05 3.70 -7.23 -0.26 -5.00 120.40 111.22 2k4k s VAL 58 Ca 0.12 -0.48 -0.15 0.00 -1.81 0.00 0.00 61.98 59.67 2k4k s VAL 58 Cb -0.12 -0.31 -0.05 0.00 0.56 0.00 0.00 36.38 36.46 2k4k s VAL 58 CO 0.02 -0.26 0.40 0.00 -0.31 0.00 0.00 175.10 174.94 2k4k s GLN 59 N -0.87 4.04 0.04 4.82 -2.07 -1.26 -1.01 119.66 123.35 2k4k s GLN 59 Ca -0.10 0.35 0.06 0.00 -1.82 0.00 0.00 55.36 53.86 2k4k s GLN 59 Cb -0.06 -3.29 -0.02 0.00 -1.09 0.00 0.00 33.01 28.55 2k4k s GLN 59 CO 0.01 0.52 -0.17 0.14 -1.32 0.00 0.00 175.29 174.47 2k4k s VAL 60 N -0.51 1.34 -0.13 3.63 -7.23 0.25 -4.78 120.40 112.97 2k4k s VAL 60 Ca 0.23 -1.06 -0.14 0.00 -1.81 0.00 0.00 61.98 59.19 2k4k s VAL 60 Cb -0.16 -1.18 -0.05 0.00 0.56 0.00 0.00 36.38 35.55 2k4k s VAL 60 CO 0.11 0.10 0.33 -0.75 -0.31 0.00 0.00 175.10 174.58 2k4k s LYS 61 N -1.12 4.18 -0.10 4.82 2.20 -0.47 -1.32 119.74 127.94 2k4k s LYS 61 Ca 0.04 0.18 -0.29 0.00 -0.36 0.00 0.00 55.97 55.54 2k4k s LYS 61 Cb -0.08 -3.39 -0.06 0.00 -1.51 0.00 0.00 37.83 32.80 2k4k s LYS 61 CO 0.01 0.32 1.82 0.08 -0.36 0.00 0.00 175.35 177.22 2k4k s VAL 62 N 0.20 3.37 -0.17 4.02 1.01 0.28 -0.87 120.40 128.23 2k4k s VAL 62 Ca 0.19 0.43 -0.00 0.00 0.00 0.00 0.00 61.98 62.60 2k4k s VAL 62 Cb -0.14 -3.33 -0.22 0.00 0.00 0.00 0.00 36.38 32.69 2k4k s VAL 62 CO 0.06 -0.10 0.14 -0.11 0.00 0.00 0.00 175.10 175.09 2k4k n LEU 63 N 8.30 2.48 -3.64 3.92 7.94 -0.05 -1.26 117.00 134.68 2k4k n LEU 63 Ca 0.20 0.08 -0.11 0.00 -1.11 0.00 0.00 56.01 55.07 2k4k n LEU 63 Cb 0.43 -0.84 -0.05 0.00 0.53 0.00 0.00 43.42 43.49 2k4k n LEU 63 CO 0.65 0.83 0.16 0.00 -1.11 0.00 0.00 177.39 177.92 2k4k s ALA 64 N -2.54 -0.95 0.01 1.96 0.00 -0.97 -4.81 121.76 114.46 2k4k s ALA 64 Ca -0.25 0.06 0.02 0.00 0.00 0.00 0.00 51.96 51.78 2k4k s ALA 64 Cb 0.08 0.59 -0.01 0.00 0.00 0.00 0.00 23.12 23.77 2k4k s ALA 64 CO 0.71 -0.59 -0.06 0.08 0.00 0.00 0.00 175.76 175.91 2k4k s VAL 65 N -3.41 0.44 -0.39 0.00 1.01 -1.26 -1.13 120.40 115.65 2k4k s VAL 65 Ca 0.01 -0.56 0.08 0.00 0.00 0.00 0.00 61.98 61.50 2k4k s VAL 65 Cb 0.01 -0.43 0.26 0.00 0.00 0.00 0.00 36.38 36.22 2k4k s VAL 65 CO -0.09 -0.10 0.54 -0.67 0.00 0.00 0.00 175.10 174.78 2k4k n ASP 66 N 2.34 0.26 0.34 3.32 2.03 0.07 -4.98 116.55 119.93 2k4k n ASP 66 Ca -0.17 -2.73 0.22 0.00 0.52 0.00 0.00 54.79 52.64 2k4k n ASP 66 Cb 0.57 -0.64 1.19 0.00 -0.72 0.00 0.00 41.12 41.52 2k4k n ASP 66 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 2k4k h GLU 67 N 3.91 0.00 0.00 -0.67 4.11 -1.95 -0.17 114.58 119.82 2k4k h GLU 67 Ca 0.07 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.50 2k4k h GLU 67 Cb 0.89 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.13 2k4k h GLU 67 CO 0.47 0.00 -0.04 0.93 0.07 0.00 0.00 179.01 180.44 2k4k h GLU 68 N 0.00 0.00 0.00 1.06 5.08 -1.94 -3.01 114.58 115.77 2k4k h GLU 68 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k4k h GLU 68 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2k4k h GLU 68 CO -0.00 0.04 0.00 1.63 -1.00 0.00 0.00 179.01 179.68 2k4k n LYS 69 N -3.25 3.10 -3.25 2.33 4.76 -0.61 -5.02 118.16 116.22 2k4k n LYS 69 Ca -0.01 -0.19 -0.16 0.00 -2.87 0.00 0.00 58.31 55.08 2k4k n LYS 69 Cb 0.22 -0.65 0.05 0.00 -1.84 0.00 0.00 35.03 32.81 2k4k n LYS 69 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2k4k n GLY 70 N 0.50 -0.07 3.49 0.72 0.00 -0.17 -5.04 105.19 104.60 2k4k n GLY 70 Ca 0.00 -0.04 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 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 -5.88 1.76 -0.05 1.61 1.02 -0.72 -4.84 119.74 112.63 2k4k s LYS 71 Ca 0.40 -1.41 -0.05 0.00 0.02 0.00 0.00 55.97 54.93 2k4k s LYS 71 Cb -0.17 -1.99 0.01 0.00 -0.52 0.00 0.00 37.83 35.16 2k4k s LYS 71 CO 0.50 0.42 0.13 0.42 -0.92 0.00 0.00 175.35 175.90 2k4k s ILE 72 N -1.68 0.00 0.10 2.17 1.01 -1.26 -0.75 121.20 120.80 2k4k s ILE 72 Ca 0.22 -0.01 0.04 0.00 0.00 0.00 0.00 60.65 60.91 2k4k s ILE 72 Cb -0.08 -0.19 -0.04 0.00 0.01 0.00 0.00 42.46 42.15 2k4k s ILE 72 CO 0.12 -0.00 0.05 -0.44 0.00 0.00 0.00 174.94 174.67 2k4k s SER 73 N 0.06 5.26 0.20 3.58 0.01 -0.29 -1.67 113.70 120.84 2k4k s SER 73 Ca -0.00 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.13 2k4k s SER 73 Cb -0.01 -1.32 -0.04 0.00 0.21 0.00 0.00 66.02 64.85 2k4k s SER 73 CO 0.00 0.15 0.08 -0.76 0.41 0.00 0.00 173.24 173.12 2k4k s LEU 74 N -2.51 1.60 0.03 2.44 1.43 -0.13 -0.88 118.68 120.66 2k4k s LEU 74 Ca 0.28 -1.31 0.01 0.00 -1.03 0.00 0.00 54.13 52.08 2k4k s LEU 74 Cb -0.11 0.18 -0.02 0.00 0.03 0.00 0.00 46.19 46.27 2k4k s LEU 74 CO 0.20 -0.74 -0.05 -0.44 0.23 0.00 0.00 176.35 175.56 2k4k s SER 75 N -3.18 0.54 -0.02 2.29 0.01 -0.05 -3.44 113.70 109.85 2k4k s SER 75 Ca 0.33 -0.47 0.03 0.00 1.31 0.00 0.00 55.95 57.14 2k4k s SER 75 Cb 0.07 0.05 -0.04 0.00 0.21 0.00 0.00 66.02 66.31 2k4k s SER 75 CO 0.09 -0.22 0.03 -0.38 0.41 0.00 0.00 173.24 173.17 2k4k n ILE 76 N 1.70 0.15 0.12 1.44 2.08 0.26 -1.36 119.36 123.74 2k4k n ILE 76 Ca -0.22 -0.11 0.16 0.00 0.56 0.00 0.00 62.75 63.13 2k4k n ILE 76 Cb 0.55 -0.52 0.70 0.00 -0.75 0.00 0.00 39.64 39.62 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 -0.04 0.38 0.11 -0.88 0.08 114.38 114.03 2k4k h ARG 77 Ca -0.06 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 59.89 2k4k h ARG 77 Cb 0.88 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.95 2k4k h ARG 77 CO 0.00 0.00 -0.59 0.00 0.10 0.00 0.00 179.97 179.48 2k4k h ALA 78 N 1.82 0.94 0.01 0.08 0.00 -1.83 -2.41 119.26 117.88 2k4k h ALA 78 Ca 0.14 -0.54 -0.40 0.00 0.00 0.00 0.00 54.91 54.12 2k4k h ALA 78 Cb 0.61 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 2k4k h ALA 78 CO -0.00 0.73 -2.34 0.25 0.00 0.00 0.00 179.25 177.89 2k4k n THR 79 N -3.86 1.54 -0.17 0.00 -2.24 -0.16 -4.14 114.28 105.26 2k4k n THR 79 Ca -0.02 -0.46 -0.02 0.00 -2.27 0.00 0.00 64.05 61.29 2k4k n THR 79 Cb 0.60 -1.69 0.21 0.00 -2.10 0.00 0.00 70.33 67.36 2k4k n THR 79 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2k4k h GLN 80 N -0.46 0.90 0.00 -0.78 4.20 -1.28 -3.12 115.11 114.57 2k4k h GLN 80 Ca -0.59 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 57.99 2k4k h GLN 80 Cb 1.75 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 29.37 2k4k h GLN 80 CO -0.21 0.71 0.00 0.00 -0.67 0.00 0.00 178.83 178.66 2k4k n ALA 81 N -2.45 0.00 -2.26 3.87 0.00 -0.91 -4.83 120.51 113.94 2k4k n ALA 81 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.40 2k4k n ALA 81 Cb 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.50 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 -1.56 0.62 -0.15 0.00 0.00 -1.26 -4.66 121.76 114.75 2k4k s ALA 82 Ca 0.00 -1.30 0.10 0.00 0.00 0.00 0.00 51.96 50.77 2k4k s ALA 82 Cb 0.00 0.78 0.57 0.00 0.00 0.00 0.00 23.12 24.47 2k4k s ALA 82 CO 0.00 -0.50 1.21 -2.30 0.00 0.00 0.00 175.76 174.16 2k4k n PRO 83 N -0.09 0.07 0.34 0.00 -0.02 -1.26 -1.60 135.00 132.43 2k4k n PRO 83 Ca -0.07 0.51 0.22 0.00 -2.02 0.00 0.00 63.50 62.14 2k4k n PRO 83 Cb 0.63 -1.99 1.19 0.00 -0.02 0.00 0.00 33.50 33.32 2k4k n PRO 83 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2k4k h GLU 84 N 0.00 0.00 -3.83 -0.52 4.39 -2.01 -3.43 114.58 109.18 2k4k h GLU 84 Ca 0.00 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.59 2k4k h GLU 84 Cb 0.51 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 28.99 2k4k h GLU 84 CO 0.00 0.00 -0.49 -1.59 -1.16 0.00 0.00 179.01 175.77 2k4k s LYS 85 N -4.21 0.66 0.78 2.33 -2.85 -0.63 -4.82 119.74 111.01 2k4k s LYS 85 Ca -0.05 -0.85 -0.13 0.00 -1.00 0.00 0.00 55.97 53.94 2k4k s LYS 85 Cb 0.13 0.26 0.07 0.00 -2.06 0.00 0.00 37.83 36.23 2k4k s LYS 85 CO 0.43 -0.18 1.18 -1.59 0.10 0.00 0.00 175.35 175.29 2k4k s LYS 86 N -3.06 1.84 0.51 1.78 0.00 -1.26 -4.58 119.74 114.96 2k4k s LYS 86 Ca -0.01 1.65 -0.23 0.00 0.00 0.00 0.00 55.97 57.38 2k4k s LYS 86 Cb 0.01 -1.81 -0.06 0.00 0.00 0.00 0.00 37.83 35.97 2k4k s LYS 86 CO -0.07 -2.04 1.38 -0.85 0.00 0.00 0.00 175.35 173.78 2k4k n GLU 87 N -3.20 1.90 -0.79 1.78 0.00 -1.26 -4.86 120.64 114.20 2k4k n GLU 87 Ca 0.13 0.69 -0.29 0.00 0.00 0.00 0.00 57.16 57.68 2k4k n GLU 87 Cb 0.51 -2.59 0.20 0.00 0.00 0.00 0.00 31.44 29.56 2k4k n GLU 87 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 2k4k s SER 88 N -0.75 2.04 -0.09 -1.84 0.01 -1.18 -5.09 113.70 106.80 2k4k s SER 88 Ca 0.68 1.58 -0.08 0.00 1.31 0.00 0.00 55.95 59.43 2k4k s SER 88 Cb -0.43 -2.26 0.02 0.00 0.21 0.00 0.00 66.02 63.56 2k4k s SER 88 CO 0.52 -3.55 0.24 -0.75 0.41 0.00 0.00 173.24 170.11 2k4k s LYS 89 N -4.66 0.29 0.39 12.44 2.20 -1.26 -5.06 119.74 124.08 2k4k s LYS 89 Ca 0.67 0.31 -0.23 0.00 -0.36 0.00 0.00 55.97 56.37 2k4k s LYS 89 Cb -0.22 0.14 -0.14 0.00 -1.51 0.00 0.00 37.83 36.10 2k4k s LYS 89 CO 0.61 -0.04 0.37 -2.30 -0.36 0.00 0.00 175.35 173.63 2k4k n PRO 90 N 2.90 0.30 -3.65 4.03 -0.02 -1.26 -4.91 135.00 132.38 2k4k n PRO 90 Ca -0.13 0.11 -0.06 0.00 -2.02 0.00 0.00 63.50 61.40 2k4k n PRO 90 Cb 0.58 -1.26 -0.02 0.00 -0.02 0.00 0.00 33.50 32.79 2k4k n PRO 90 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2k4k s ARG 91 N -1.29 1.15 0.01 -0.52 6.06 -0.03 -4.92 118.95 119.40 2k4k s ARG 91 Ca 0.62 -0.56 0.01 0.00 -2.50 0.00 0.00 55.73 53.29 2k4k s ARG 91 Cb -0.65 0.44 -0.01 0.00 0.06 0.00 0.00 34.95 34.79 2k4k s ARG 91 CO 0.60 -0.52 -0.03 0.21 -2.50 0.00 0.00 175.30 173.06 2k4k s LYS 92 N -3.35 0.23 0.00 5.12 2.20 -1.26 -0.68 119.74 122.00 2k4k s LYS 92 Ca 0.09 -0.24 0.00 0.00 -0.36 0.00 0.00 55.97 55.46 2k4k s LYS 92 Cb -0.02 -0.13 0.00 0.00 -1.51 0.00 0.00 37.83 36.18 2k4k s LYS 92 CO -0.02 0.03 0.85 -0.35 -0.36 0.00 0.00 175.35 175.49 2k4k n PRO 93 N 2.61 0.77 0.05 4.03 -0.04 -1.26 -4.25 135.00 136.92 2k4k n PRO 93 Ca -0.15 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.44 2k4k n PRO 93 Cb 0.58 -1.11 0.61 0.00 -0.04 0.00 0.00 33.50 33.53 2k4k n PRO 93 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2k4k h LYS 94 N 0.57 0.14 -3.97 0.54 1.63 -2.00 -3.43 116.57 110.05 2k4k h LYS 94 Ca 0.00 -0.01 -0.10 0.00 -0.85 0.00 0.00 60.65 59.69 2k4k h LYS 94 Cb 0.77 -0.03 -0.14 0.00 -0.60 0.00 0.00 32.23 32.23 2k4k h LYS 94 CO 0.00 0.10 -0.47 0.00 -3.45 0.00 0.00 179.45 175.63 2k4k s ALA 95 N -5.17 0.06 0.96 5.00 0.00 -1.26 -5.17 121.76 116.18 2k4k s ALA 95 Ca -0.06 -0.85 -0.11 0.00 0.00 0.00 0.00 51.96 50.94 2k4k s ALA 95 Cb 0.19 0.48 0.14 0.00 0.00 0.00 0.00 23.12 23.93 2k4k s ALA 95 CO 0.72 -0.48 0.98 0.00 0.00 0.00 0.00 175.76 176.98 2k4k n ALA 96 N -0.03 -1.44 -2.66 0.00 0.00 -1.26 -5.01 120.51 110.12 2k4k n ALA 96 Ca -0.14 -0.65 -0.20 0.00 0.00 0.00 0.00 53.44 52.45 2k4k n ALA 96 Cb 0.62 -2.09 -0.13 0.00 0.00 0.00 0.00 19.45 17.85 2k4k n ALA 96 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2k4k s GLN 97 N -4.41 0.91 0.29 0.00 -1.52 -1.26 -5.15 119.66 108.52 2k4k s GLN 97 Ca 0.65 -0.90 -0.06 0.00 -1.95 0.00 0.00 55.36 53.10 2k4k s GLN 97 Cb -0.23 -0.95 -0.01 0.00 -0.22 0.00 0.00 33.01 31.60 2k4k s GLN 97 CO 0.61 0.22 0.43 0.14 -0.25 0.00 0.00 175.29 176.44 2k4k s VAL 98 N -1.09 0.00 -1.54 1.09 -7.23 -1.26 -4.75 120.40 105.63 2k4k s VAL 98 Ca 0.01 -1.58 0.00 0.00 -1.81 0.00 0.00 61.98 58.60 2k4k s VAL 98 Cb -0.09 -2.46 0.00 0.00 0.56 0.00 0.00 36.38 34.39 2k4k s VAL 98 CO 0.02 0.00 0.00 -1.20 -0.31 0.00 0.00 175.10 173.61 2k4k n SER 99 N -0.86 -4.89 -3.88 4.85 7.64 -1.26 -4.98 113.62 110.24 2k4k n SER 99 Ca 0.00 0.17 -0.12 0.00 1.01 0.00 0.00 58.87 59.93 2k4k n SER 99 Cb 0.62 -3.92 -0.14 0.00 -1.01 0.00 0.00 64.21 59.76 2k4k n SER 99 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2k4k s GLU 100 N -4.18 0.04 0.55 1.43 2.02 -1.26 -5.04 118.70 112.25 2k4k s GLU 100 Ca 0.00 -0.02 0.25 0.00 0.02 0.00 0.00 54.97 55.22 2k4k s GLU 100 Cb 0.00 -0.04 1.58 0.00 0.10 0.00 0.00 34.13 35.77 2k4k s GLU 100 CO 0.00 0.01 2.19 0.93 0.02 0.00 0.00 175.26 178.41 2k4k h GLU 101 N 6.14 0.00 0.00 1.61 5.08 -1.84 -0.06 114.58 125.51 2k4k h GLU 101 Ca -0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 2k4k h GLU 101 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2k4k h GLU 101 CO 0.51 0.03 0.00 0.00 -1.00 0.00 0.00 179.01 178.55 2k4k n ALA 102 N -2.39 1.50 -0.00 3.43 0.00 -1.26 -3.98 120.51 117.81 2k4k n ALA 102 Ca -0.03 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2k4k n ALA 102 Cb 0.12 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.25 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 -2.02 0.00 -3.63 0.00 7.64 -0.24 -5.13 113.62 110.24 2k4k n SER 103 Ca 0.02 -0.01 -0.10 0.00 1.01 0.00 0.00 58.87 59.79 2k4k n SER 103 Cb 0.16 0.01 -0.03 0.00 -1.01 0.00 0.00 64.21 63.35 2k4k n SER 103 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2k4k s THR 104 N -0.01 0.02 0.84 0.44 -4.23 -0.20 -4.77 115.64 107.71 2k4k s THR 104 Ca 0.00 -0.51 -0.14 0.00 -1.18 0.00 0.00 61.69 59.86 2k4k s THR 104 Cb 0.00 -1.40 0.01 0.00 1.34 0.00 0.00 72.50 72.45 2k4k s THR 104 CO 0.00 -0.07 0.58 -2.65 -0.54 0.00 0.00 174.62 171.94 2k4k n PRO 105 N -0.37 0.02 0.15 3.99 -0.02 -1.26 -4.17 135.00 133.33 2k4k n PRO 105 Ca -0.12 0.06 0.12 0.00 -2.02 0.00 0.00 63.50 61.54 2k4k n PRO 105 Cb 0.63 -1.94 0.53 0.00 -0.02 0.00 0.00 33.50 32.70 2k4k n PRO 105 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k4k n GLN 106 N -1.57 0.20 -3.82 -0.52 10.64 -1.26 -4.69 117.38 116.35 2k4k n GLN 106 Ca 0.09 0.48 -0.01 0.00 -1.83 0.00 0.00 57.00 55.73 2k4k n GLN 106 Cb 0.52 -1.92 0.01 0.00 -0.86 0.00 0.00 30.24 27.98 2k4k n GLN 106 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 2k4k s GLY 107 N -3.59 -0.10 0.30 2.61 0.00 -1.26 -5.02 107.32 100.26 2k4k s GLY 107 Ca 0.03 0.02 -0.07 0.00 0.00 0.00 0.00 44.72 44.70 2k4k s GLY 107 CO 0.36 1.89 0.47 -0.12 0.00 0.00 0.00 173.10 175.69 2k4k s PHE 108 N -2.46 0.74 0.37 1.90 5.36 -1.26 -5.06 117.98 117.57 2k4k s PHE 108 Ca 0.19 -1.05 0.18 0.00 -0.96 0.00 0.00 56.93 55.29 2k4k s PHE 108 Cb -0.01 0.04 1.14 0.00 -0.34 0.00 0.00 43.02 43.85 2k4k s PHE 108 CO 0.02 -1.07 1.69 -0.97 -1.46 0.00 0.00 175.22 173.43 2k4k h ASN 109 N 2.20 0.46 -0.91 6.13 -1.24 -2.03 -1.39 115.58 118.81 2k4k h ASN 109 Ca -0.28 0.15 0.25 0.00 0.71 0.00 0.00 56.30 57.12 2k4k h ASN 109 Cb 1.25 0.10 -0.05 0.00 0.73 0.00 0.00 38.32 40.34 2k4k h ASN 109 CO 0.39 -0.07 0.64 0.74 -1.29 0.00 0.00 177.43 177.83 2k4k h THR 110 N 0.32 0.58 0.00 -3.57 2.02 -1.98 0.75 112.91 111.03 2k4k h THR 110 Ca 0.71 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.85 2k4k h THR 110 Cb 1.77 0.46 -0.00 0.00 -1.74 0.00 0.00 68.15 68.64 2k4k h THR 110 CO -0.48 0.02 -0.01 0.25 0.37 0.00 0.00 175.52 175.66 2k4k h LEU 111 N 0.11 0.00 -1.18 2.58 5.85 -1.66 -3.26 115.31 117.76 2k4k h LEU 111 Ca 0.45 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.17 2k4k h LEU 111 Cb 1.58 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.61 2k4k h LEU 111 CO -0.06 0.01 -0.10 2.29 -0.34 0.00 0.00 178.44 180.24 2k4k n LYS 112 N -3.38 0.00 0.23 1.25 2.85 0.11 -4.90 118.16 114.32 2k4k n LYS 112 Ca -0.03 -0.59 0.08 0.00 -1.05 0.00 0.00 58.31 56.72 2k4k n LYS 112 Cb 0.10 -0.49 0.54 0.00 -0.65 0.00 0.00 35.03 34.54 2k4k n LYS 112 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 177.40 177.57 2k4k h ASP 113 N 0.00 0.00 -3.38 -5.58 3.58 -1.18 -3.42 116.42 106.44 2k4k h ASP 113 Ca 0.00 0.00 -0.47 0.00 0.42 0.00 0.00 57.03 56.98 2k4k h ASP 113 Cb 1.08 0.00 -0.14 0.00 1.72 0.00 0.00 39.33 41.99 2k4k h ASP 113 CO 0.00 0.22 -0.60 -0.54 -2.88 0.00 0.00 179.24 175.44 2k4k s LYS 114 N -4.27 1.65 0.00 0.28 -0.14 -1.26 -5.08 119.74 110.91 2k4k s LYS 114 Ca -0.03 -1.92 0.00 0.00 -1.36 0.00 0.00 55.97 52.66 2k4k s LYS 114 Cb 0.14 -0.77 0.00 0.00 -1.68 0.00 0.00 37.83 35.52 2k4k s LYS 114 CO 0.66 -0.23 0.00 -0.11 -0.76 0.00 0.00 175.35 174.91 2k4k n LEU 115 N -0.68 0.00 -0.32 3.17 -0.00 -1.26 -4.91 117.00 113.00 2k4k n LEU 115 Ca -0.02 0.00 0.06 0.00 -0.00 0.00 0.00 56.01 56.05 2k4k n LEU 115 Cb 0.66 0.00 0.26 0.00 -0.00 0.00 0.00 43.42 44.34 2k4k n LEU 115 CO 0.41 0.00 1.24 -0.33 -0.00 0.00 0.00 177.39 178.71 2k4k h GLU 116 N 0.00 0.95 0.00 1.96 3.07 -1.98 0.31 114.58 118.89 2k4k h GLU 116 Ca 0.00 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 2k4k h GLU 116 Cb 0.13 -0.21 0.00 0.00 -0.84 0.00 0.00 28.75 27.83 2k4k h GLU 116 CO 0.00 0.63 0.00 -0.85 -1.40 0.00 0.00 179.01 177.39 2k4k n GLU 117 N -4.53 0.24 -0.08 2.33 0.28 -1.26 -2.72 120.64 114.89 2k4k n GLU 117 Ca 0.16 0.13 0.01 0.00 -0.16 0.00 0.00 57.16 57.29 2k4k n GLU 117 Cb 0.28 -1.50 0.01 0.00 1.43 0.00 0.00 31.44 31.66 2k4k n GLU 117 CO 0.00 0.00 0.00 0.91 -0.16 0.00 0.00 177.13 177.88 2k4k n TRP 118 N -1.28 0.00 -1.46 -1.84 8.01 0.01 -5.11 117.44 115.77 2k4k n TRP 118 Ca 0.08 -0.23 -0.35 0.00 -1.31 0.00 0.00 57.50 55.69 2k4k n TRP 118 Cb 0.13 -0.04 0.10 0.00 -2.01 0.00 0.00 31.31 29.49 2k4k n TRP 118 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 177.69 175.18 2k4k s ILE 119 N -0.54 2.03 0.15 -0.99 2.07 -0.66 -4.92 121.20 118.35 2k4k s ILE 119 Ca 0.03 0.02 0.30 0.00 -1.41 0.00 0.00 60.65 59.59 2k4k s ILE 119 Cb 0.03 -2.74 0.33 0.00 0.13 0.00 0.00 42.46 40.21 2k4k s ILE 119 CO 0.00 -0.01 1.94 1.05 -1.91 0.00 0.00 174.94 176.02 2k4k h GLU 120 N -0.11 0.00 -3.10 3.50 4.11 -1.92 -3.47 114.58 113.59 2k4k h GLU 120 Ca -0.49 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 58.63 2k4k h GLU 120 Cb 1.32 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.53 2k4k h GLU 120 CO 0.50 0.09 -0.37 -1.33 0.07 0.00 0.00 179.01 177.96 2k4k n MET 121 N -3.24 -1.90 0.04 1.06 2.81 -1.26 -4.86 117.12 109.78 2k4k n MET 121 Ca 0.00 0.78 0.06 0.00 -1.81 0.00 0.00 57.70 56.72 2k4k n MET 121 Cb 0.34 -5.33 0.26 0.00 -0.71 0.00 0.00 33.22 27.78 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 -1.66 0.19 0.00 7.83 7.64 -1.26 -2.39 113.62 123.97 2k4k n SER 122 Ca -0.18 0.57 0.23 0.00 1.01 0.00 0.00 58.87 60.50 2k4k n SER 122 Cb 0.61 -0.60 0.71 0.00 -1.01 0.00 0.00 64.21 63.92 2k4k n SER 122 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 2k4k h ASN 123 N 0.00 0.00 0.22 6.43 -1.24 -2.01 -0.77 115.58 118.21 2k4k h ASN 123 Ca 0.00 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.01 2k4k h ASN 123 Cb 0.13 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.18 2k4k h ASN 123 CO 0.00 0.00 -0.01 0.08 -1.29 0.00 0.00 177.43 176.21 2k4k h ARG 124 N 0.00 0.00 -6.99 6.67 0.11 -1.87 -3.45 114.38 108.84 2k4k h ARG 124 Ca 0.28 0.00 -0.56 0.00 0.10 0.00 0.00 59.98 59.80 2k4k h ARG 124 Cb 1.43 0.00 0.15 0.00 1.11 0.00 0.00 29.97 32.66 2k4k h ARG 124 CO -0.00 0.01 0.44 1.17 0.10 0.00 0.00 179.97 181.69 2k4k n LYS 125 N -3.17 1.30 -0.04 0.08 4.81 -0.30 -4.92 118.16 115.92 2k4k n LYS 125 Ca -0.02 0.49 0.03 0.00 -0.87 0.00 0.00 58.31 57.94 2k4k n LYS 125 Cb 0.13 -2.44 0.39 0.00 0.02 0.00 0.00 35.03 33.12 2k4k n LYS 125 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 2k4k h ASP 126 N 0.91 0.55 -3.46 3.14 3.58 -1.90 -3.40 116.42 115.84 2k4k h ASP 126 Ca -0.50 -0.02 -0.21 0.00 0.42 0.00 0.00 57.03 56.73 2k4k h ASP 126 Cb 1.33 -0.14 -0.30 0.00 1.72 0.00 0.00 39.33 41.95 2k4k h ASP 126 CO 0.54 0.40 -0.52 -0.22 -2.88 0.00 0.00 179.24 176.56 2k4k s LEU 127 N -9.56 0.68 0.02 2.28 2.96 -1.26 -5.16 118.68 108.65 2k4k s LEU 127 Ca -0.09 0.42 -0.20 0.00 -0.22 0.00 0.00 54.13 54.05 2k4k s LEU 127 Cb 0.17 0.60 0.04 0.00 0.50 0.00 0.00 46.19 47.50 2k4k s LEU 127 CO 0.74 -0.14 0.45 -0.51 -1.32 0.00 0.00 176.35 175.57 2k4k s ILE 128 N 1.01 0.04 0.09 6.68 2.07 -1.26 -5.14 121.20 124.70 2k4k s ILE 128 Ca -0.07 -0.36 -0.00 0.00 -1.41 0.00 0.00 60.65 58.80 2k4k s ILE 128 Cb -0.09 -0.90 -0.04 0.00 0.13 0.00 0.00 42.46 41.55 2k4k s ILE 128 CO -0.06 -0.20 -0.01 -0.54 -1.91 0.00 0.00 174.94 172.22 2k4k s LYS 129 N -2.12 0.79 0.00 3.50 1.02 -1.26 -5.14 119.74 116.54 2k4k s LYS 129 Ca -0.07 -1.33 0.00 0.00 0.02 0.00 0.00 55.97 54.58 2k4k s LYS 129 Cb -0.01 0.09 0.00 0.00 -0.52 0.00 0.00 37.83 37.38 2k4k s LYS 129 CO 0.00 -0.13 0.36 1.63 -0.92 0.00 0.00 175.35 176.29