#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 0.46 0.73 -5.12 0.00 -1.26 -5.03 121.76 111.54 2k4k s ALA 2 Ca 0.00 -1.22 -0.16 0.00 0.00 0.00 0.00 51.96 50.59 2k4k s ALA 2 Cb 0.00 0.99 0.03 0.00 0.00 0.00 0.00 23.12 24.15 2k4k s ALA 2 CO 0.00 -0.61 1.22 0.00 0.00 0.00 0.00 175.76 176.37 2k4k n ALA 3 N -0.21 0.47 0.09 0.00 0.00 -1.26 -4.96 120.51 114.64 2k4k n ALA 3 Ca -0.04 -0.17 -0.04 0.00 0.00 0.00 0.00 53.44 53.19 2k4k n ALA 3 Cb 0.64 -2.27 0.17 0.00 0.00 0.00 0.00 19.45 17.98 2k4k n ALA 3 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2k4k h LYS 4 N -0.21 0.23 -3.17 0.00 2.10 -2.05 -3.51 116.57 109.96 2k4k h LYS 4 Ca -0.48 -0.14 0.31 0.00 -2.00 0.00 0.00 60.65 58.34 2k4k h LYS 4 Cb 1.32 0.01 -0.16 0.00 -0.90 0.00 0.00 32.23 32.50 2k4k h LYS 4 CO 0.49 0.70 -1.04 1.19 -2.00 0.00 0.00 179.45 178.78 2k4k n PHE 5 N -3.94 -3.33 -3.58 0.07 3.01 -1.26 -5.07 117.46 103.36 2k4k n PHE 5 Ca -0.02 1.83 -0.17 0.00 1.01 0.00 0.00 57.45 60.10 2k4k n PHE 5 Cb 0.56 -3.03 -0.07 0.00 -0.01 0.00 0.00 39.48 36.93 2k4k n PHE 5 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 2k4k s GLU 6 N -4.21 0.97 0.23 -1.08 2.12 -1.26 -5.06 118.70 110.41 2k4k s GLU 6 Ca 0.00 0.16 -0.31 0.00 0.36 0.00 0.00 54.97 55.18 2k4k s GLU 6 Cb 0.00 0.45 -0.14 0.00 0.26 0.00 0.00 34.13 34.70 2k4k s GLU 6 CO 0.00 -0.29 1.23 1.33 -0.54 0.00 0.00 175.26 176.99 2k4k n VAL 7 N 1.01 1.18 -0.03 3.70 0.24 -1.26 -1.99 118.33 121.19 2k4k n VAL 7 Ca -0.20 -0.30 0.00 0.00 -2.04 0.00 0.00 64.34 61.81 2k4k n VAL 7 Cb 0.57 -1.15 0.00 0.00 -1.47 0.00 0.00 33.84 31.79 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 1.85 2.51 3.67 7.63 0.00 -0.22 -5.01 105.19 115.62 2k4k n GLY 8 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.68 3.02 -0.03 1.61 0.01 -0.84 -4.79 113.70 109.00 2k4k s SER 9 Ca 0.00 1.79 0.00 0.00 1.31 0.00 0.00 55.95 59.05 2k4k s SER 9 Cb 0.00 -2.39 0.03 0.00 0.21 0.00 0.00 66.02 63.87 2k4k s SER 9 CO 0.00 -2.97 0.02 -0.69 0.41 0.00 0.00 173.24 170.01 2k4k s VAL 10 N -2.75 0.07 0.18 3.43 1.01 -1.26 -0.72 120.40 120.35 2k4k s VAL 10 Ca 0.65 0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.83 2k4k s VAL 10 Cb -0.21 -0.19 -0.01 0.00 0.00 0.00 0.00 36.38 35.97 2k4k s VAL 10 CO 0.58 0.13 0.17 -1.22 0.00 0.00 0.00 175.10 174.76 2k4k n TYR 11 N 4.27 -0.50 -4.58 5.22 4.01 -0.62 -5.00 117.16 119.95 2k4k n TYR 11 Ca -0.25 -1.47 -0.29 0.00 -0.16 0.00 0.00 57.90 55.73 2k4k n TYR 11 Cb 0.50 0.18 -0.14 0.00 -0.31 0.00 0.00 39.34 39.57 2k4k n TYR 11 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2k4k s THR 12 N -2.71 2.16 0.30 -0.72 2.01 -1.26 -0.62 115.64 114.80 2k4k s THR 12 Ca 0.21 -1.59 -0.05 0.00 0.31 0.00 0.00 61.69 60.56 2k4k s THR 12 Cb 0.01 -1.89 0.02 0.00 0.01 0.00 0.00 72.50 70.65 2k4k s THR 12 CO 0.15 0.19 0.49 0.61 -0.69 0.00 0.00 174.62 175.36 2k4k n GLY 13 N 1.27 1.89 3.25 4.40 0.00 -0.42 -4.81 105.19 110.77 2k4k n GLY 13 Ca -0.18 -1.45 -0.30 0.00 0.00 0.00 0.00 46.02 44.10 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 -2.45 2.25 0.01 1.61 1.02 -0.24 -1.02 119.74 120.91 2k4k s LYS 14 Ca 0.20 -0.84 -0.30 0.00 0.02 0.00 0.00 55.97 55.05 2k4k s LYS 14 Cb -0.02 -1.97 -0.06 0.00 -0.52 0.00 0.00 37.83 35.26 2k4k s LYS 14 CO 0.15 0.39 1.41 0.08 -0.92 0.00 0.00 175.35 176.46 2k4k s VAL 15 N -0.23 3.65 -0.45 3.17 1.01 0.13 -0.93 120.40 126.75 2k4k s VAL 15 Ca -0.00 1.05 0.08 0.00 0.00 0.00 0.00 61.98 63.11 2k4k s VAL 15 Cb -0.12 -3.68 -0.08 0.00 0.00 0.00 0.00 36.38 32.51 2k4k s VAL 15 CO 0.02 0.00 0.38 0.35 0.00 0.00 0.00 175.10 175.86 2k4k n THR 16 N 4.62 0.00 -3.62 3.92 -2.24 0.26 -1.05 114.28 116.18 2k4k n THR 16 Ca 0.13 -0.32 0.01 0.00 -2.27 0.00 0.00 64.05 61.60 2k4k n THR 16 Cb 0.43 1.01 -0.01 0.00 -2.10 0.00 0.00 70.33 69.67 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 -1.70 -0.41 0.23 3.38 0.00 -1.19 -4.93 107.32 102.70 2k4k s GLY 17 Ca 0.04 0.77 0.10 0.00 0.00 0.00 0.00 44.72 45.62 2k4k s GLY 17 CO 0.32 0.15 -0.18 1.08 0.00 0.00 0.00 173.10 174.47 2k4k s LEU 18 N -2.93 2.55 0.09 0.66 1.43 -1.26 -1.15 118.68 118.07 2k4k s LEU 18 Ca 0.14 -1.00 -0.10 0.00 -1.03 0.00 0.00 54.13 52.14 2k4k s LEU 18 Cb 0.05 -0.90 0.01 0.00 0.03 0.00 0.00 46.19 45.37 2k4k s LEU 18 CO -0.04 -0.05 0.23 -1.10 0.23 0.00 0.00 176.35 175.62 2k4k s GLN 19 N -3.44 0.88 0.00 1.70 -0.21 0.63 -4.10 119.66 115.11 2k4k s GLN 19 Ca 0.25 -0.90 0.00 0.00 0.02 0.00 0.00 55.36 54.73 2k4k s GLN 19 Cb -0.03 0.36 0.00 0.00 1.00 0.00 0.00 33.01 34.34 2k4k s GLN 19 CO 0.10 -0.29 0.78 0.00 -2.12 0.00 0.00 175.29 173.77 2k4k n ALA 20 N -0.05 1.19 -0.57 6.09 0.00 -1.25 -2.11 120.51 123.81 2k4k n ALA 20 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2k4k n ALA 20 Cb 0.62 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.09 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 -1.28 0.00 0.00 0.00 4.11 -1.26 -4.97 117.16 113.76 2k4k n TYR 21 Ca 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 57.90 57.79 2k4k n TYR 21 Cb 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 39.34 39.33 2k4k n TYR 21 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2k4k n GLY 22 N -0.11 -0.69 3.14 -7.48 0.00 -0.90 -0.82 105.19 98.33 2k4k n GLY 22 Ca 0.00 -1.20 -0.23 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.00 1.30 0.14 4.61 0.00 0.16 -0.27 121.76 125.71 2k4k s ALA 23 Ca 0.00 -0.70 -0.24 0.00 0.00 0.00 0.00 51.96 51.02 2k4k s ALA 23 Cb 0.00 -0.32 -0.08 0.00 0.00 0.00 0.00 23.12 22.72 2k4k s ALA 23 CO 0.00 0.31 0.73 -0.06 0.00 0.00 0.00 175.76 176.74 2k4k s PHE 24 N -0.42 3.89 -0.09 0.00 0.08 -0.30 -1.07 117.98 120.07 2k4k s PHE 24 Ca 0.06 1.55 -0.01 0.00 0.12 0.00 0.00 56.93 58.65 2k4k s PHE 24 Cb -0.06 -2.71 0.03 0.00 -0.57 0.00 0.00 43.02 39.71 2k4k s PHE 24 CO -0.00 0.53 -0.00 0.08 -0.10 0.00 0.00 175.22 175.73 2k4k s VAL 25 N -1.13 0.45 0.36 -0.44 1.01 -0.33 -0.57 120.40 119.75 2k4k s VAL 25 Ca 0.34 0.01 -0.19 0.00 0.00 0.00 0.00 61.98 62.14 2k4k s VAL 25 Cb -0.22 -0.63 -0.10 0.00 0.00 0.00 0.00 36.38 35.42 2k4k s VAL 25 CO 0.25 0.21 0.86 0.00 0.00 0.00 0.00 175.10 176.42 2k4k s ALA 26 N 1.94 3.19 -0.01 5.51 0.00 -0.11 -0.96 121.76 131.32 2k4k s ALA 26 Ca 0.04 0.27 0.01 0.00 0.00 0.00 0.00 51.96 52.28 2k4k s ALA 26 Cb -0.13 -2.99 -0.01 0.00 0.00 0.00 0.00 23.12 19.99 2k4k s ALA 26 CO -0.06 0.22 0.00 1.28 0.00 0.00 0.00 175.76 177.21 2k4k n LEU 27 N -0.29 0.08 -3.61 0.00 4.77 0.12 -1.08 117.00 116.99 2k4k n LEU 27 Ca 0.04 -0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.92 2k4k n LEU 27 Cb 0.53 0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.61 2k4k n LEU 27 CO 0.40 0.03 0.34 -0.62 -1.33 0.00 0.00 177.39 176.21 2k4k s ASP 28 N -3.13 -0.38 0.64 -1.43 2.15 -0.49 -4.89 116.67 109.14 2k4k s ASP 28 Ca -0.00 -0.28 0.25 0.00 0.43 0.00 0.00 52.55 52.94 2k4k s ASP 28 Cb 0.00 0.60 1.33 0.00 -0.30 0.00 0.00 42.92 44.55 2k4k s ASP 28 CO 0.04 -1.04 1.75 -0.33 -0.17 0.00 0.00 175.17 175.42 2k4k h GLU 29 N 2.11 0.00 0.00 4.34 5.08 -1.98 -2.38 114.58 121.75 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 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2k4k h GLU 29 CO 0.37 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.77 2k4k n GLU 30 N -3.05 0.76 -3.77 2.33 1.02 -1.26 -5.02 120.64 111.64 2k4k n GLU 30 Ca 0.02 -0.88 -0.15 0.00 -0.02 0.00 0.00 57.16 56.14 2k4k n GLU 30 Cb 0.59 -0.94 -0.16 0.00 -0.02 0.00 0.00 31.44 30.92 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 -0.41 -0.05 -0.03 2.62 2.01 -0.90 -5.05 115.64 113.83 2k4k s THR 31 Ca 0.00 0.20 -0.30 0.00 0.31 0.00 0.00 61.69 61.90 2k4k s THR 31 Cb 0.00 -0.11 0.07 0.00 0.01 0.00 0.00 72.50 72.47 2k4k s THR 31 CO 0.00 0.08 0.67 -1.58 -0.69 0.00 0.00 174.62 173.10 2k4k s GLN 32 N 1.03 1.07 0.14 4.92 -0.44 -1.26 -0.70 119.66 124.42 2k4k s GLN 32 Ca -0.08 0.19 -0.01 0.00 -2.50 0.00 0.00 55.36 52.96 2k4k s GLN 32 Cb -0.12 0.50 0.00 0.00 -1.64 0.00 0.00 33.01 31.76 2k4k s GLN 32 CO -0.03 -0.35 0.20 0.41 0.50 0.00 0.00 175.29 176.02 2k4k n GLY 33 N 0.81 2.69 2.86 2.59 0.00 -0.13 -4.18 105.19 109.82 2k4k n GLY 33 Ca -0.19 -1.46 -0.20 0.00 0.00 0.00 0.00 46.02 44.17 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 1.15 -0.23 0.99 2.96 -0.94 -1.19 118.68 121.42 2k4k s LEU 34 Ca 0.11 -0.11 -0.11 0.00 -0.22 0.00 0.00 54.13 53.81 2k4k s LEU 34 Cb -0.00 -0.42 -0.05 0.00 0.50 0.00 0.00 46.19 46.21 2k4k s LEU 34 CO 0.08 -0.09 0.17 0.54 -1.32 0.00 0.00 176.35 175.73 2k4k s VAL 35 N 1.17 5.36 0.55 1.68 0.11 -0.23 -0.82 120.40 128.21 2k4k s VAL 35 Ca -0.07 0.21 -0.19 0.00 -2.93 0.00 0.00 61.98 59.00 2k4k s VAL 35 Cb -0.14 -3.51 -0.06 0.00 -1.53 0.00 0.00 36.38 31.15 2k4k s VAL 35 CO -0.01 0.35 1.12 -1.00 -3.33 0.00 0.00 175.10 172.23 2k4k s HIS 36 N 1.00 2.69 0.38 1.54 0.09 -1.26 -0.67 115.29 119.06 2k4k s HIS 36 Ca 0.08 1.55 0.12 0.00 -0.00 0.00 0.00 55.06 56.81 2k4k s HIS 36 Cb -0.13 -3.27 0.92 0.00 -0.00 0.00 0.00 32.58 30.10 2k4k s HIS 36 CO 0.04 -1.53 1.86 0.97 -0.00 0.00 0.00 174.74 176.07 2k4k h ILE 37 N 1.13 0.76 0.00 0.60 2.10 -1.32 0.86 117.51 121.65 2k4k h ILE 37 Ca -0.50 -0.20 -0.02 0.00 1.08 0.00 0.00 64.86 65.23 2k4k h ILE 37 Cb 1.26 0.13 -0.00 0.00 -1.09 0.00 0.00 36.82 37.11 2k4k h ILE 37 CO 0.57 0.11 -0.07 0.77 -1.08 0.00 0.00 178.15 178.44 2k4k h SER 38 N 0.58 0.00 -0.19 2.19 4.64 -1.92 -2.59 113.55 116.26 2k4k h SER 38 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 2k4k h SER 38 Cb 0.91 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 2k4k h SER 38 CO -0.21 0.07 0.00 -0.62 -0.87 0.00 0.00 176.83 175.20 2k4k n GLU 39 N -3.48 2.35 0.10 4.77 4.71 0.28 -4.26 120.64 125.11 2k4k n GLU 39 Ca -0.02 -1.99 -0.04 0.00 -0.01 0.00 0.00 57.16 55.10 2k4k n GLU 39 Cb 0.21 -1.48 0.16 0.00 -1.01 0.00 0.00 31.44 29.31 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 4.38 1.37 -2.78 2.62 2.07 -1.27 0.15 116.25 122.79 2k4k h VAL 40 Ca 0.00 -1.87 -0.07 0.00 0.82 0.00 0.00 66.70 65.58 2k4k h VAL 40 Cb 0.95 1.94 -0.17 0.00 -1.52 0.00 0.00 31.29 32.49 2k4k h VAL 40 CO 0.00 0.55 -0.00 -0.89 0.02 0.00 0.00 177.57 177.25 2k4k s THR 41 N -3.84 0.03 0.00 2.57 2.01 -1.26 -3.47 115.64 111.69 2k4k s THR 41 Ca -0.04 -0.29 0.00 0.00 0.31 0.00 0.00 61.69 61.68 2k4k s THR 41 Cb 0.12 -0.95 0.00 0.00 0.01 0.00 0.00 72.50 71.69 2k4k s THR 41 CO 0.78 -0.16 1.53 0.00 -0.69 0.00 0.00 174.62 176.09 2k4k n HIS 42 N 0.53 0.00 -3.69 4.92 1.44 -1.26 -4.77 115.22 112.38 2k4k n HIS 42 Ca -0.19 -0.77 -0.01 0.00 -2.01 0.00 0.00 57.72 54.74 2k4k n HIS 42 Cb 0.60 -0.40 0.01 0.00 0.12 0.00 0.00 29.99 30.31 2k4k n HIS 42 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2k4k n GLY 43 N 1.24 0.91 3.75 -1.39 0.00 -1.26 -5.02 105.19 103.42 2k4k n GLY 43 Ca 0.00 -1.04 -0.37 0.00 0.00 0.00 0.00 46.02 44.61 2k4k n GLY 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2k4k s PHE 44 N -3.88 2.37 -0.56 1.61 5.36 -1.26 -4.99 117.98 116.63 2k4k s PHE 44 Ca 0.12 1.45 0.05 0.00 -0.96 0.00 0.00 56.93 57.59 2k4k s PHE 44 Cb -0.01 -3.65 0.18 0.00 -0.34 0.00 0.00 43.02 39.20 2k4k s PHE 44 CO 0.03 -2.53 0.45 0.28 -1.46 0.00 0.00 175.22 171.99 2k4k n VAL 45 N -1.19 0.35 0.13 3.12 0.31 -1.26 -4.98 118.33 114.80 2k4k n VAL 45 Ca 0.11 -4.24 0.14 0.00 -0.01 0.00 0.00 64.34 60.34 2k4k n VAL 45 Cb 0.47 -1.94 0.66 0.00 -0.91 0.00 0.00 33.84 32.12 2k4k n VAL 45 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 2k4k h LYS 46 N 5.30 0.01 -2.85 5.55 2.10 -1.98 -3.40 116.57 121.29 2k4k h LYS 46 Ca 0.20 -0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.71 2k4k h LYS 46 Cb 0.82 -0.00 -0.26 0.00 -0.90 0.00 0.00 32.23 31.89 2k4k h LYS 46 CO 0.57 0.01 -0.33 0.34 -2.00 0.00 0.00 179.45 178.03 2k4k s ASP 47 N -6.65 -0.39 0.33 7.07 -1.08 -1.26 -4.89 116.67 109.80 2k4k s ASP 47 Ca -0.05 0.73 0.02 0.00 -0.52 0.00 0.00 52.55 52.73 2k4k s ASP 47 Cb 0.18 0.69 0.58 0.00 -1.46 0.00 0.00 42.92 42.91 2k4k s ASP 47 CO 0.70 -0.15 1.92 -0.29 0.52 0.00 0.00 175.17 177.87 2k4k h ILE 48 N 5.01 1.19 0.00 4.11 2.10 -1.91 -2.92 117.51 125.09 2k4k h ILE 48 Ca -0.31 -0.60 0.00 0.00 1.08 0.00 0.00 64.86 65.03 2k4k h ILE 48 Cb 1.18 0.63 0.00 0.00 -1.09 0.00 0.00 36.82 37.54 2k4k h ILE 48 CO 0.30 0.23 0.00 -0.55 -1.08 0.00 0.00 178.15 177.05 2k4k h ASN 49 N 0.69 0.00 1.16 2.19 7.08 -1.86 0.10 115.58 124.94 2k4k h ASN 49 Ca 0.17 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.39 2k4k h ASN 49 Cb 0.16 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.40 2k4k h ASN 49 CO -0.01 0.00 0.00 -0.62 -2.08 0.00 0.00 177.43 174.72 2k4k n GLU 50 N -2.59 0.12 0.00 4.14 1.02 -1.10 -4.32 120.64 117.91 2k4k n GLU 50 Ca 0.01 0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 2k4k n GLU 50 Cb 0.21 -1.65 0.00 0.00 -0.02 0.00 0.00 31.44 29.98 2k4k n GLU 50 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2k4k n HIS 51 N -1.86 0.00 -4.12 -0.32 8.25 -0.20 -5.04 115.22 111.94 2k4k n HIS 51 Ca 0.06 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.38 2k4k n HIS 51 Cb 0.36 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.41 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 -1.53 0.98 -0.16 2.41 2.96 0.18 -4.97 118.68 118.56 2k4k s LEU 52 Ca 0.00 -1.38 -0.07 0.00 -0.22 0.00 0.00 54.13 52.46 2k4k s LEU 52 Cb 0.00 1.20 0.07 0.00 0.50 0.00 0.00 46.19 47.96 2k4k s LEU 52 CO 0.00 -1.14 0.36 -0.44 -1.32 0.00 0.00 176.35 173.81 2k4k s SER 53 N -3.19 -0.25 0.59 3.68 0.01 -1.26 -4.23 113.70 109.05 2k4k s SER 53 Ca 0.32 0.81 -0.20 0.00 1.31 0.00 0.00 55.95 58.18 2k4k s SER 53 Cb 0.01 0.85 -0.03 0.00 0.21 0.00 0.00 66.02 67.07 2k4k s SER 53 CO 0.17 -0.21 1.31 0.54 0.41 0.00 0.00 173.24 175.46 2k4k s VAL 54 N 1.88 2.16 -0.81 3.43 0.11 -1.26 -3.64 120.40 122.27 2k4k s VAL 54 Ca -0.06 0.11 -0.01 0.00 -2.93 0.00 0.00 61.98 59.09 2k4k s VAL 54 Cb -0.10 -3.05 0.00 0.00 -1.53 0.00 0.00 36.38 31.70 2k4k s VAL 54 CO -0.11 -0.01 0.13 0.61 -3.33 0.00 0.00 175.10 172.38 2k4k n GLY 55 N 0.76 0.02 3.36 6.54 0.00 -0.21 -4.99 105.19 110.67 2k4k n GLY 55 Ca 0.13 -0.41 -0.19 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.68 2.49 -0.15 1.61 2.15 -1.24 -4.95 116.67 113.90 2k4k s ASP 56 Ca 0.06 -1.09 -0.06 0.00 0.43 0.00 0.00 52.55 51.90 2k4k s ASP 56 Cb -0.03 -0.12 -0.04 0.00 -0.30 0.00 0.00 42.92 42.43 2k4k s ASP 56 CO 0.08 -0.26 0.06 -0.70 -0.17 0.00 0.00 175.17 174.17 2k4k s GLU 57 N -3.70 3.65 -0.05 4.34 2.12 -1.26 -0.69 118.70 123.11 2k4k s GLU 57 Ca 0.25 -0.32 -0.06 0.00 0.36 0.00 0.00 54.97 55.19 2k4k s GLU 57 Cb 0.01 -3.11 0.01 0.00 0.26 0.00 0.00 34.13 31.31 2k4k s GLU 57 CO 0.08 0.46 0.17 0.14 -0.54 0.00 0.00 175.26 175.57 2k4k s VAL 58 N -0.16 0.02 0.30 3.70 -7.23 -0.19 -5.00 120.40 111.84 2k4k s VAL 58 Ca 0.07 -0.14 -0.29 0.00 -1.81 0.00 0.00 61.98 59.82 2k4k s VAL 58 Cb -0.12 -0.29 -0.10 0.00 0.56 0.00 0.00 36.38 36.43 2k4k s VAL 58 CO 0.01 -0.07 1.19 -1.10 -0.31 0.00 0.00 175.10 174.82 2k4k s GLN 59 N -0.20 4.51 -0.03 4.82 1.11 -1.26 -1.29 119.66 127.31 2k4k s GLN 59 Ca -0.03 1.99 0.02 0.00 0.01 0.00 0.00 55.36 57.35 2k4k s GLN 59 Cb -0.02 -3.14 0.01 0.00 -1.01 0.00 0.00 33.01 28.85 2k4k s GLN 59 CO 0.01 0.03 -0.08 0.14 0.01 0.00 0.00 175.29 175.39 2k4k s VAL 60 N -1.14 0.74 -0.06 1.09 -7.23 0.21 -4.78 120.40 109.22 2k4k s VAL 60 Ca 0.47 -0.31 -0.21 0.00 -1.81 0.00 0.00 61.98 60.11 2k4k s VAL 60 Cb -0.35 -0.68 -0.04 0.00 0.56 0.00 0.00 36.38 35.87 2k4k s VAL 60 CO 0.46 0.24 0.61 -0.75 -0.31 0.00 0.00 175.10 175.36 2k4k s LYS 61 N 0.36 4.38 -0.12 4.82 2.20 -0.75 -1.60 119.74 129.05 2k4k s LYS 61 Ca -0.06 0.73 -0.29 0.00 -0.36 0.00 0.00 55.97 55.99 2k4k s LYS 61 Cb -0.10 -3.42 -0.06 0.00 -1.51 0.00 0.00 37.83 32.74 2k4k s LYS 61 CO 0.01 0.17 1.94 0.08 -0.36 0.00 0.00 175.35 177.19 2k4k s VAL 62 N 0.49 3.22 -0.13 4.02 1.01 0.10 -1.03 120.40 128.07 2k4k s VAL 62 Ca 0.33 0.25 -0.03 0.00 0.00 0.00 0.00 61.98 62.52 2k4k s VAL 62 Cb -0.17 -3.21 -0.25 0.00 0.00 0.00 0.00 36.38 32.75 2k4k s VAL 62 CO 0.16 -0.08 0.32 -0.11 0.00 0.00 0.00 175.10 175.38 2k4k n LEU 63 N 9.11 2.47 -3.61 3.92 7.94 0.22 -1.05 117.00 136.00 2k4k n LEU 63 Ca 0.23 0.18 -0.11 0.00 -1.11 0.00 0.00 56.01 55.20 2k4k n LEU 63 Cb 0.43 -0.94 -0.05 0.00 0.53 0.00 0.00 43.42 43.40 2k4k n LEU 63 CO 0.66 0.81 0.20 0.00 -1.11 0.00 0.00 177.39 177.96 2k4k s ALA 64 N -2.56 -1.07 -0.01 1.96 0.00 -0.91 -4.79 121.76 114.38 2k4k s ALA 64 Ca -0.22 0.15 0.01 0.00 0.00 0.00 0.00 51.96 51.90 2k4k s ALA 64 Cb 0.07 0.62 0.00 0.00 0.00 0.00 0.00 23.12 23.81 2k4k s ALA 64 CO 0.76 -0.61 -0.02 0.08 0.00 0.00 0.00 175.76 175.96 2k4k s VAL 65 N -3.41 0.22 -0.32 0.00 1.01 -1.26 -0.99 120.40 115.64 2k4k s VAL 65 Ca 0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 61.98 61.90 2k4k s VAL 65 Cb 0.01 -0.21 0.13 0.00 0.00 0.00 0.00 36.38 36.31 2k4k s VAL 65 CO -0.09 0.08 0.27 -0.62 0.00 0.00 0.00 175.10 174.73 2k4k s ASP 66 N 0.13 2.16 0.23 3.32 -1.08 -0.15 -5.00 116.67 116.28 2k4k s ASP 66 Ca -0.01 -1.30 0.25 0.00 -0.52 0.00 0.00 52.55 50.96 2k4k s ASP 66 Cb -0.03 0.19 0.91 0.00 -1.46 0.00 0.00 42.92 42.53 2k4k s ASP 66 CO -0.00 -0.36 1.74 -0.62 0.52 0.00 0.00 175.17 176.45 2k4k n GLU 67 N 4.83 0.21 -0.00 4.34 -0.58 -1.26 -0.84 120.64 127.34 2k4k n GLU 67 Ca 0.03 0.33 -0.17 0.00 -0.42 0.00 0.00 57.16 56.92 2k4k n GLU 67 Cb 0.44 -1.83 -0.11 0.00 -0.57 0.00 0.00 31.44 29.36 2k4k n GLU 67 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 2k4k h GLU 68 N 0.00 0.32 0.00 3.49 4.39 -1.95 -3.06 114.58 117.78 2k4k h GLU 68 Ca 0.00 -0.36 -0.05 0.00 0.34 0.00 0.00 59.36 59.28 2k4k h GLU 68 Cb 0.51 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 2k4k h GLU 68 CO 0.00 1.06 -0.25 0.87 -1.16 0.00 0.00 179.01 179.53 2k4k h LYS 69 N -0.26 0.00 -3.75 2.33 1.57 -1.98 -3.47 116.57 111.01 2k4k h LYS 69 Ca -0.07 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.52 2k4k h LYS 69 Cb 1.25 0.00 0.08 0.00 0.08 0.00 0.00 32.23 33.64 2k4k h LYS 69 CO 0.10 0.25 -0.38 0.41 -0.57 0.00 0.00 179.45 179.26 2k4k n GLY 70 N -0.29 0.09 3.20 3.86 0.00 -0.02 -5.06 105.19 106.97 2k4k n GLY 70 Ca -0.01 -0.18 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 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 -5.16 0.91 -0.01 1.61 1.02 -0.06 -4.99 119.74 113.06 2k4k s LYS 71 Ca 0.14 -1.33 0.02 0.00 0.02 0.00 0.00 55.97 54.82 2k4k s LYS 71 Cb -0.06 -0.42 -0.00 0.00 -0.52 0.00 0.00 37.83 36.83 2k4k s LYS 71 CO 0.38 0.04 -0.06 0.42 -0.92 0.00 0.00 175.35 175.21 2k4k s ILE 72 N -3.23 0.45 0.11 2.17 1.01 -1.26 -0.97 121.20 119.47 2k4k s ILE 72 Ca 0.12 -0.23 0.04 0.00 0.00 0.00 0.00 60.65 60.58 2k4k s ILE 72 Cb 0.02 -0.40 -0.04 0.00 0.01 0.00 0.00 42.46 42.06 2k4k s ILE 72 CO -0.02 0.14 0.05 -0.44 0.00 0.00 0.00 174.94 174.67 2k4k s SER 73 N -0.03 5.25 0.23 3.58 0.01 -0.16 -2.21 113.70 120.37 2k4k s SER 73 Ca 0.01 -0.13 0.01 0.00 1.31 0.00 0.00 55.95 57.14 2k4k s SER 73 Cb -0.03 -1.31 -0.05 0.00 0.21 0.00 0.00 66.02 64.83 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 -2.52 1.66 0.04 2.44 1.43 -0.00 -0.61 118.68 121.12 2k4k s LEU 74 Ca 0.28 -1.34 -0.09 0.00 -1.03 0.00 0.00 54.13 51.95 2k4k s LEU 74 Cb -0.11 0.07 0.00 0.00 0.03 0.00 0.00 46.19 46.18 2k4k s LEU 74 CO 0.20 -0.71 0.18 -0.94 0.23 0.00 0.00 176.35 175.31 2k4k s SER 75 N -3.25 0.06 0.00 2.29 1.04 -0.20 -4.13 113.70 109.51 2k4k s SER 75 Ca 0.35 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.39 2k4k s SER 75 Cb 0.07 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.47 2k4k s SER 75 CO 0.11 -0.54 0.00 -0.38 0.98 0.00 0.00 173.24 173.41 2k4k n ILE 76 N 0.73 0.00 0.28 -1.02 2.08 -0.04 -1.80 119.36 119.58 2k4k n ILE 76 Ca -0.19 0.00 0.18 0.00 0.56 0.00 0.00 62.75 63.30 2k4k n ILE 76 Cb 0.59 -0.51 0.95 0.00 -0.75 0.00 0.00 39.64 39.92 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 -0.83 0.11 114.38 114.15 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 0.59 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.67 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 1.80 1.00 0.00 0.08 0.00 -1.83 -3.40 119.26 116.92 2k4k h ALA 78 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2k4k h ALA 78 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2k4k h ALA 78 CO -0.00 0.00 -0.81 0.25 0.00 0.00 0.00 179.25 178.69 2k4k n THR 79 N -2.90 0.00 -4.34 0.00 -2.24 0.16 -4.94 114.28 100.01 2k4k n THR 79 Ca 0.03 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.61 2k4k n THR 79 Cb 0.41 -0.07 -0.09 0.00 -2.10 0.00 0.00 70.33 68.48 2k4k n THR 79 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2k4k s GLN 80 N -1.70 1.65 0.14 -0.78 -0.21 0.10 -4.96 119.66 113.89 2k4k s GLN 80 Ca 0.00 -1.95 0.04 0.00 0.02 0.00 0.00 55.36 53.47 2k4k s GLN 80 Cb 0.00 -0.09 -0.04 0.00 1.00 0.00 0.00 33.01 33.88 2k4k s GLN 80 CO 0.00 -0.48 -0.08 0.00 -2.12 0.00 0.00 175.29 172.60 2k4k s ALA 81 N -3.55 1.36 0.66 6.09 0.00 -1.26 -4.45 121.76 120.61 2k4k s ALA 81 Ca 0.35 -1.48 -0.17 0.00 0.00 0.00 0.00 51.96 50.66 2k4k s ALA 81 Cb 0.04 0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.26 2k4k s ALA 81 CO 0.18 -0.14 1.15 0.00 0.00 0.00 0.00 175.76 176.95 2k4k n ALA 82 N -0.18 0.62 -1.05 0.00 0.00 -1.26 -5.00 120.51 113.64 2k4k n ALA 82 Ca -0.10 -0.05 -0.30 0.00 0.00 0.00 0.00 53.44 52.99 2k4k n ALA 82 Cb 0.61 -2.23 0.14 0.00 0.00 0.00 0.00 19.45 17.97 2k4k n ALA 82 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2k4k s PRO 83 N -3.25 1.32 0.53 0.00 0.04 -1.26 -4.94 135.00 127.44 2k4k s PRO 83 Ca 0.79 1.09 0.31 0.00 0.04 0.00 0.00 61.00 63.24 2k4k s PRO 83 Cb -0.38 -1.80 1.28 0.00 0.04 0.00 0.00 34.50 33.65 2k4k s PRO 83 CO 0.44 -2.27 1.96 0.93 0.04 0.00 0.00 177.00 178.09 2k4k h GLU 84 N -1.58 0.00 -3.28 4.56 4.39 -2.05 -3.44 114.58 113.18 2k4k h GLU 84 Ca -0.47 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.14 2k4k h GLU 84 Cb 1.27 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 29.76 2k4k h GLU 84 CO 0.50 0.05 -0.20 0.21 -1.16 0.00 0.00 179.01 178.42 2k4k s LYS 85 N -3.69 0.88 0.31 2.33 2.47 -1.26 -5.18 119.74 115.60 2k4k s LYS 85 Ca 0.01 -0.53 0.03 0.00 -1.56 0.00 0.00 55.97 53.92 2k4k s LYS 85 Cb 0.09 0.38 -0.05 0.00 -1.46 0.00 0.00 37.83 36.79 2k4k s LYS 85 CO 0.56 -0.30 0.09 0.15 0.16 0.00 0.00 175.35 176.02 2k4k s LYS 86 N -2.79 1.61 0.09 4.03 1.02 -1.26 -5.18 119.74 117.25 2k4k s LYS 86 Ca -0.03 -1.91 0.02 0.00 0.02 0.00 0.00 55.97 54.07 2k4k s LYS 86 Cb -0.00 -0.56 -0.04 0.00 -0.52 0.00 0.00 37.83 36.71 2k4k s LYS 86 CO -0.05 -0.29 -0.07 -1.21 -0.92 0.00 0.00 175.35 172.81 2k4k s GLU 87 N -3.91 0.77 0.07 1.68 0.41 -1.26 -4.97 118.70 111.49 2k4k s GLU 87 Ca 0.35 -1.21 -0.29 0.00 -0.41 0.00 0.00 54.97 53.41 2k4k s GLU 87 Cb 0.07 -0.23 -0.18 0.00 -1.78 0.00 0.00 34.13 32.02 2k4k s GLU 87 CO 0.15 -0.00 1.61 0.77 -0.49 0.00 0.00 175.26 177.29 2k4k h SER 88 N 3.31 -0.51 -3.94 -0.19 0.02 -1.94 -3.41 113.55 106.89 2k4k h SER 88 Ca -0.35 -0.01 -0.47 0.00 -0.84 0.00 0.00 61.79 60.12 2k4k h SER 88 Cb 1.17 0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.85 2k4k h SER 88 CO 0.59 -0.33 0.38 -0.75 -1.14 0.00 0.00 176.83 175.58 2k4k s LYS 89 N -5.92 4.34 0.71 3.45 2.20 -1.26 -4.59 119.74 118.68 2k4k s LYS 89 Ca -0.16 1.42 -0.16 0.00 -0.36 0.00 0.00 55.97 56.71 2k4k s LYS 89 Cb 0.04 -2.63 -0.04 0.00 -1.51 0.00 0.00 37.83 33.69 2k4k s LYS 89 CO 0.62 0.04 0.56 -2.30 -0.36 0.00 0.00 175.35 173.91 2k4k n PRO 90 N 0.16 0.33 0.12 4.03 -0.02 -1.26 -4.91 135.00 133.44 2k4k n PRO 90 Ca 0.04 0.15 0.12 0.00 -2.02 0.00 0.00 63.50 61.79 2k4k n PRO 90 Cb 0.50 -1.85 0.45 0.00 -0.02 0.00 0.00 33.50 32.58 2k4k n PRO 90 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 2k4k n ARG 91 N -0.78 0.23 -1.73 -0.52 1.85 -1.26 -4.66 116.66 109.78 2k4k n ARG 91 Ca 0.10 0.31 -0.38 0.00 -1.00 0.00 0.00 57.85 56.88 2k4k n ARG 91 Cb 0.50 -1.83 0.05 0.00 -1.05 0.00 0.00 32.46 30.12 2k4k n ARG 91 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2k4k n LYS 92 N -2.24 1.49 0.28 2.89 5.02 -1.26 -4.89 118.16 119.45 2k4k n LYS 92 Ca 0.04 0.56 0.15 0.00 -2.02 0.00 0.00 58.31 57.04 2k4k n LYS 92 Cb 0.33 -2.52 0.83 0.00 -0.02 0.00 0.00 35.03 33.66 2k4k n LYS 92 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 2k4k h PRO 93 N 1.15 0.00 0.00 1.97 0.13 -2.00 -2.53 132.00 130.72 2k4k h PRO 93 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2k4k h PRO 93 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 2k4k h PRO 93 CO 0.56 0.07 -0.31 0.36 -0.23 0.00 0.00 178.00 178.45 2k4k n LYS 94 N -3.54 0.47 -2.10 0.86 2.85 -1.26 -5.01 118.16 110.43 2k4k n LYS 94 Ca -0.02 -1.46 -0.11 0.00 -1.05 0.00 0.00 58.31 55.67 2k4k n LYS 94 Cb 0.19 -0.82 -0.02 0.00 -0.65 0.00 0.00 35.03 33.74 2k4k n LYS 94 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2k4k n ALA 95 N -0.45 -0.61 -1.08 0.58 0.00 -0.96 -4.85 120.51 113.15 2k4k n ALA 95 Ca 0.05 0.11 -0.25 0.00 0.00 0.00 0.00 53.44 53.35 2k4k n ALA 95 Cb 0.66 -1.33 -0.08 0.00 0.00 0.00 0.00 19.45 18.70 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 -1.50 6.54 -0.53 0.00 0.00 -1.26 -0.68 120.51 123.09 2k4k n ALA 96 Ca -0.12 -2.57 -0.29 0.00 0.00 0.00 0.00 53.44 50.46 2k4k n ALA 96 Cb 0.52 -2.89 0.26 0.00 0.00 0.00 0.00 19.45 17.34 2k4k n ALA 96 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2k4k s GLN 97 N 1.91 -1.51 0.10 0.00 -2.07 -1.26 -5.00 119.66 111.84 2k4k s GLN 97 Ca 0.63 0.60 0.09 0.00 -1.82 0.00 0.00 55.36 54.85 2k4k s GLN 97 Cb 0.22 -1.50 -0.04 0.00 -1.09 0.00 0.00 33.01 30.60 2k4k s GLN 97 CO -0.03 -4.06 -0.22 0.14 -1.32 0.00 0.00 175.29 169.80 2k4k s VAL 98 N -2.43 1.81 0.00 3.63 -7.23 -1.26 -4.73 120.40 110.18 2k4k s VAL 98 Ca 0.68 -1.57 0.00 0.00 -1.81 0.00 0.00 61.98 59.29 2k4k s VAL 98 Cb -0.22 -1.63 0.00 0.00 0.56 0.00 0.00 36.38 35.09 2k4k s VAL 98 CO 0.63 -0.02 0.00 -1.20 -0.31 0.00 0.00 175.10 174.20 2k4k n SER 99 N 1.09 2.01 0.00 4.85 7.64 -1.26 -4.75 113.62 123.19 2k4k n SER 99 Ca -0.19 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.69 2k4k n SER 99 Cb 0.53 0.30 0.00 0.00 -1.01 0.00 0.00 64.21 64.04 2k4k n SER 99 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2k4k n GLU 100 N -0.85 0.00 0.00 1.43 4.71 -1.26 -2.44 120.64 122.23 2k4k n GLU 100 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 2k4k n GLU 100 Cb 0.10 -0.01 0.00 0.00 -1.01 0.00 0.00 31.44 30.52 2k4k n GLU 100 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2k4k n GLU 101 N -2.49 0.61 -0.15 3.49 1.02 -1.26 -4.69 120.64 117.16 2k4k n GLU 101 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2k4k n GLU 101 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 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 -3.00 2.44 -0.04 0.62 0.00 -1.26 -4.35 120.51 114.91 2k4k n ALA 102 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 2k4k n ALA 102 Cb 0.00 -1.32 -0.02 0.00 0.00 0.00 0.00 19.45 18.11 2k4k n ALA 102 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2k4k h SER 103 N 1.96 -0.34 -3.09 0.00 4.64 -1.93 -3.38 113.55 111.40 2k4k h SER 103 Ca 0.00 0.09 -0.53 0.00 -0.47 0.00 0.00 61.79 60.87 2k4k h SER 103 Cb 0.49 0.19 0.01 0.00 -0.31 0.00 0.00 62.40 62.78 2k4k h SER 103 CO 0.00 -0.13 0.65 0.42 -0.87 0.00 0.00 176.83 176.90 2k4k s THR 104 N -6.18 3.79 0.08 2.95 -4.23 -1.26 -4.96 115.64 105.83 2k4k s THR 104 Ca -0.14 1.26 -0.16 0.00 -1.18 0.00 0.00 61.69 61.48 2k4k s THR 104 Cb 0.11 -3.81 -0.11 0.00 1.34 0.00 0.00 72.50 70.04 2k4k s THR 104 CO 0.69 0.08 1.38 1.55 -0.54 0.00 0.00 174.62 177.78 2k4k h PRO 105 N 6.98 0.64 -4.19 3.99 0.13 -1.88 -3.45 132.00 134.22 2k4k h PRO 105 Ca -0.41 -0.36 -0.16 0.00 -0.87 0.00 0.00 66.00 64.20 2k4k h PRO 105 Cb 1.20 0.03 -0.13 0.00 0.13 0.00 0.00 31.00 32.23 2k4k h PRO 105 CO 0.84 0.97 -0.43 -0.65 -0.23 0.00 0.00 178.00 178.51 2k4k s GLN 106 N -4.24 1.27 0.80 0.86 -0.21 -1.26 -4.63 119.66 112.25 2k4k s GLN 106 Ca -0.13 -1.43 -0.14 0.00 0.02 0.00 0.00 55.36 53.69 2k4k s GLN 106 Cb 0.08 0.34 0.19 0.00 1.00 0.00 0.00 33.01 34.63 2k4k s GLN 106 CO 0.82 -0.46 0.84 0.41 -2.12 0.00 0.00 175.29 174.78 2k4k n GLY 107 N -0.28 -2.20 3.43 3.09 0.00 0.14 -4.87 105.19 104.50 2k4k n GLY 107 Ca -0.01 -1.56 -0.15 0.00 0.00 0.00 0.00 46.02 44.29 2k4k n GLY 107 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2k4k s PHE 108 N -2.65 1.19 -0.07 1.61 5.36 -1.26 -5.05 117.98 117.12 2k4k s PHE 108 Ca 0.51 -1.36 0.01 0.00 -0.96 0.00 0.00 56.93 55.14 2k4k s PHE 108 Cb -0.04 -0.24 0.02 0.00 -0.34 0.00 0.00 43.02 42.42 2k4k s PHE 108 CO 0.38 -1.04 -0.07 1.21 -1.46 0.00 0.00 175.22 174.24 2k4k s ASN 109 N -3.25 1.52 -0.03 6.13 3.84 -1.26 -4.70 114.94 117.18 2k4k s ASN 109 Ca 0.33 -0.21 -0.24 0.00 0.21 0.00 0.00 52.86 52.95 2k4k s ASN 109 Cb 0.01 -0.65 -0.21 0.00 -0.55 0.00 0.00 41.25 39.84 2k4k s ASN 109 CO 0.21 -0.05 1.11 0.71 -2.79 0.00 0.00 177.10 176.29 2k4k h THR 110 N 6.11 1.50 -2.28 -5.21 1.35 -1.90 -3.48 112.91 108.99 2k4k h THR 110 Ca -0.32 -1.72 -0.07 0.00 -0.55 0.00 0.00 66.41 63.75 2k4k h THR 110 Cb 1.16 2.54 -0.21 0.00 -1.73 0.00 0.00 68.15 69.90 2k4k h THR 110 CO 0.44 0.47 0.02 -0.22 -0.25 0.00 0.00 175.52 175.98 2k4k s LEU 111 N -8.72 -0.28 0.32 3.87 2.96 -1.26 -5.15 118.68 110.42 2k4k s LEU 111 Ca -0.16 0.94 -0.29 0.00 -0.22 0.00 0.00 54.13 54.40 2k4k s LEU 111 Cb 0.02 2.12 -0.12 0.00 0.50 0.00 0.00 46.19 48.71 2k4k s LEU 111 CO 0.73 -0.36 1.47 1.17 -1.32 0.00 0.00 176.35 178.05 2k4k n LYS 112 N 2.03 2.48 0.07 1.98 4.81 -1.26 -4.80 118.16 123.47 2k4k n LYS 112 Ca -0.16 0.88 0.03 0.00 -0.87 0.00 0.00 58.31 58.18 2k4k n LYS 112 Cb 0.56 -2.58 0.41 0.00 0.02 0.00 0.00 35.03 33.44 2k4k n LYS 112 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 2k4k h ASP 113 N 3.69 0.33 -3.33 3.14 3.58 -1.92 -3.40 116.42 118.52 2k4k h ASP 113 Ca -0.48 -0.04 -0.26 0.00 0.42 0.00 0.00 57.03 56.67 2k4k h ASP 113 Cb 1.25 -0.08 -0.33 0.00 1.72 0.00 0.00 39.33 41.88 2k4k h ASP 113 CO 0.71 0.36 -0.61 -0.75 -2.88 0.00 0.00 179.24 176.06 2k4k s LYS 114 N -5.05 0.07 0.12 0.28 2.20 -1.26 -5.04 119.74 111.06 2k4k s LYS 114 Ca -0.07 0.42 -0.31 0.00 -0.36 0.00 0.00 55.97 55.65 2k4k s LYS 114 Cb 0.16 -0.21 -0.10 0.00 -1.51 0.00 0.00 37.83 36.17 2k4k s LYS 114 CO 0.73 -0.21 1.75 -1.17 -0.36 0.00 0.00 175.35 176.09 2k4k s LEU 115 N 1.50 4.38 0.24 5.43 2.96 -1.26 -5.00 118.68 126.94 2k4k s LEU 115 Ca -0.06 2.69 -0.07 0.00 -0.22 0.00 0.00 54.13 56.48 2k4k s LEU 115 Cb -0.12 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 42.98 2k4k s LEU 115 CO -0.06 -0.95 0.35 -1.61 -1.32 0.00 0.00 176.35 172.76 2k4k s GLU 116 N 2.36 1.47 0.00 1.98 2.02 -1.26 -5.10 118.70 120.17 2k4k s GLU 116 Ca 0.77 -1.46 0.00 0.00 0.02 0.00 0.00 54.97 54.30 2k4k s GLU 116 Cb -0.45 0.39 0.00 0.00 0.10 0.00 0.00 34.13 34.18 2k4k s GLU 116 CO 0.34 -0.57 0.01 0.39 0.02 0.00 0.00 175.26 175.45 2k4k n GLU 117 N -0.37 4.94 -1.07 1.61 1.02 -1.26 -5.05 120.64 120.46 2k4k n GLU 117 Ca 0.00 -0.01 -0.29 0.00 -0.02 0.00 0.00 57.16 56.85 2k4k n GLU 117 Cb 0.63 -0.38 0.19 0.00 -0.02 0.00 0.00 31.44 31.86 2k4k n GLU 117 CO 0.00 0.00 0.00 1.67 1.18 0.00 0.00 177.13 179.98 2k4k s TRP 118 N -0.71 1.99 0.43 -0.32 1.48 -1.26 -4.95 118.94 115.60 2k4k s TRP 118 Ca 0.00 1.05 0.24 0.00 -1.06 0.00 0.00 56.10 56.33 2k4k s TRP 118 Cb 0.00 -3.23 1.32 0.00 -1.16 0.00 0.00 33.47 30.40 2k4k s TRP 118 CO 0.00 -3.01 2.05 -0.84 -4.06 0.00 0.00 176.95 171.08 2k4k h ILE 119 N -1.99 0.73 0.00 0.66 3.07 -2.02 -3.46 117.51 114.51 2k4k h ILE 119 Ca -0.55 -0.57 0.00 0.00 1.55 0.00 0.00 64.86 65.29 2k4k h ILE 119 Cb 1.33 1.34 0.00 0.00 -0.27 0.00 0.00 36.82 39.22 2k4k h ILE 119 CO 0.56 0.14 0.00 1.21 -1.05 0.00 0.00 178.15 179.01 2k4k n GLU 120 N -3.84 0.00 -3.72 0.16 2.13 -1.26 -4.55 120.64 109.56 2k4k n GLU 120 Ca -0.02 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.66 2k4k n GLU 120 Cb 0.24 -0.71 -0.09 0.00 0.27 0.00 0.00 31.44 31.15 2k4k n GLU 120 CO 0.00 0.00 0.00 1.41 -0.41 0.00 0.00 177.13 178.13 2k4k s MET 121 N 0.00 0.66 0.54 5.31 0.00 -1.26 -5.04 119.30 119.51 2k4k s MET 121 Ca 0.00 0.11 0.36 0.00 0.00 0.00 0.00 55.69 56.17 2k4k s MET 121 Cb 0.00 0.30 1.97 0.00 0.00 0.00 0.00 34.83 37.10 2k4k s MET 121 CO 0.00 -0.16 2.11 0.77 0.00 0.00 0.00 175.02 177.74 2k4k h SER 122 N 4.27 0.00 -0.11 1.11 0.02 -2.03 -2.41 113.55 114.39 2k4k h SER 122 Ca -0.28 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.48 2k4k h SER 122 Cb 1.17 0.00 -0.37 0.00 0.14 0.00 0.00 62.40 63.35 2k4k h SER 122 CO 0.35 0.00 -1.01 -3.20 -1.14 0.00 0.00 176.83 171.82 2k4k n ASN 123 N -2.77 1.25 -4.67 3.07 5.15 -1.26 -5.09 115.26 110.94 2k4k n ASN 123 Ca -0.02 -2.17 -0.42 0.00 -0.60 0.00 0.00 54.58 51.36 2k4k n ASN 123 Cb 0.06 -0.36 0.00 0.00 -0.53 0.00 0.00 39.78 38.95 2k4k n ASN 123 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 2k4k n ARG 124 N 0.13 1.82 -1.66 1.20 0.63 -0.91 -4.95 116.66 112.91 2k4k n ARG 124 Ca 0.08 0.64 -0.43 0.00 -0.92 0.00 0.00 57.85 57.22 2k4k n ARG 124 Cb 1.04 -2.23 -0.01 0.00 0.45 0.00 0.00 32.46 31.72 2k4k n ARG 124 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2k4k n LYS 125 N 0.35 1.87 -0.97 -0.14 3.00 -1.26 -4.87 118.16 116.14 2k4k n LYS 125 Ca 0.07 0.66 -0.12 0.00 -0.00 0.00 0.00 58.31 58.92 2k4k n LYS 125 Cb 0.37 -2.18 -0.17 0.00 0.00 0.00 0.00 35.03 33.06 2k4k n LYS 125 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2k4k n ASP 126 N 0.88 5.11 -4.76 3.14 2.03 -1.26 -4.95 116.55 116.73 2k4k n ASP 126 Ca 0.06 -2.46 -0.41 0.00 0.52 0.00 0.00 54.79 52.50 2k4k n ASP 126 Cb 0.35 -1.38 -0.01 0.00 -0.72 0.00 0.00 41.12 39.36 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 0.00 4.33 0.24 -2.67 2.96 -1.26 -5.03 118.68 117.25 2k4k s LEU 127 Ca 0.65 3.00 0.01 0.00 -0.22 0.00 0.00 54.13 57.58 2k4k s LEU 127 Cb 0.31 -3.65 -0.04 0.00 0.50 0.00 0.00 46.19 43.31 2k4k s LEU 127 CO 0.00 -0.91 0.15 0.27 -1.32 0.00 0.00 176.35 174.54 2k4k s ILE 128 N -0.44 0.13 -0.93 6.68 -5.25 -1.26 -5.06 121.20 115.07 2k4k s ILE 128 Ca 0.59 -2.00 -0.22 0.00 -0.99 0.00 0.00 60.65 58.03 2k4k s ILE 128 Cb -0.48 -2.52 -0.13 0.00 2.95 0.00 0.00 42.46 42.29 2k4k s ILE 128 CO 0.54 0.00 1.93 1.17 -1.79 0.00 0.00 174.94 176.79 2k4k n LYS 129 N -0.40 1.60 0.00 0.37 3.00 -1.26 -5.25 118.16 116.21 2k4k n LYS 129 Ca 0.02 -2.11 0.00 0.00 -0.00 0.00 0.00 58.31 56.23 2k4k n LYS 129 Cb 0.65 -3.21 0.00 0.00 0.00 0.00 0.00 35.03 32.47 2k4k n LYS 129 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57