#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 1.82 0.33 -5.12 0.00 -1.26 -4.41 121.76 113.12 2k4k s ALA 2 Ca 0.00 0.75 0.04 0.00 0.00 0.00 0.00 51.96 52.75 2k4k s ALA 2 Cb 0.00 -3.46 -0.07 0.00 0.00 0.00 0.00 23.12 19.59 2k4k s ALA 2 CO 0.00 -2.30 0.05 0.00 0.00 0.00 0.00 175.76 173.51 2k4k s ALA 3 N -2.29 2.45 -0.03 0.00 0.00 -1.26 -4.90 121.76 115.72 2k4k s ALA 3 Ca 0.71 -2.08 0.05 0.00 0.00 0.00 0.00 51.96 50.63 2k4k s ALA 3 Cb -0.26 0.61 0.07 0.00 0.00 0.00 0.00 23.12 23.54 2k4k s ALA 3 CO 0.52 -0.29 1.01 0.36 0.00 0.00 0.00 175.76 177.36 2k4k n LYS 4 N -0.72 0.36 -4.30 0.00 2.85 -1.26 -5.04 118.16 110.05 2k4k n LYS 4 Ca -0.03 -1.37 -0.16 0.00 -1.05 0.00 0.00 58.31 55.71 2k4k n LYS 4 Cb 0.67 -0.75 -0.10 0.00 -0.65 0.00 0.00 35.03 34.19 2k4k n LYS 4 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 2k4k s PHE 5 N -0.71 1.43 0.04 5.58 0.40 -1.26 -5.18 117.98 118.27 2k4k s PHE 5 Ca 0.08 -0.89 -0.02 0.00 -0.60 0.00 0.00 56.93 55.49 2k4k s PHE 5 Cb 0.07 -0.80 -0.03 0.00 0.51 0.00 0.00 43.02 42.77 2k4k s PHE 5 CO 0.01 -0.04 0.01 -2.00 0.70 0.00 0.00 175.22 173.90 2k4k s GLU 6 N -3.84 0.54 0.18 0.44 2.12 -1.26 -5.02 118.70 111.86 2k4k s GLU 6 Ca 0.25 -0.95 -0.33 0.00 0.36 0.00 0.00 54.97 54.30 2k4k s GLU 6 Cb 0.05 0.19 -0.15 0.00 0.26 0.00 0.00 34.13 34.48 2k4k s GLU 6 CO 0.06 -0.11 1.31 1.33 -0.54 0.00 0.00 175.26 177.31 2k4k n VAL 7 N 0.63 0.70 0.00 3.70 0.24 -1.26 -1.82 118.33 120.52 2k4k n VAL 7 Ca -0.18 -0.17 0.00 0.00 -2.04 0.00 0.00 64.34 61.95 2k4k n VAL 7 Cb 0.59 -1.12 0.00 0.00 -1.47 0.00 0.00 33.84 31.84 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 2.28 2.41 3.72 7.63 0.00 -0.24 -5.01 105.19 115.97 2k4k n GLY 8 Ca 0.15 0.00 -0.33 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 -1.63 4.02 -0.03 1.61 0.01 -0.75 -4.77 113.70 112.16 2k4k s SER 9 Ca 0.00 2.22 0.07 0.00 1.31 0.00 0.00 55.95 59.55 2k4k s SER 9 Cb 0.00 -2.57 -0.01 0.00 0.21 0.00 0.00 66.02 63.64 2k4k s SER 9 CO 0.00 -2.37 -0.24 -0.69 0.41 0.00 0.00 173.24 170.35 2k4k s VAL 10 N -2.28 1.93 0.21 3.43 1.01 -1.26 -0.64 120.40 122.80 2k4k s VAL 10 Ca 0.70 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 61.68 2k4k s VAL 10 Cb -0.25 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.50 2k4k s VAL 10 CO 0.49 0.54 0.24 0.00 0.00 0.00 0.00 175.10 176.37 2k4k n TYR 11 N 2.70 -0.77 -3.86 5.22 9.36 -0.00 -5.00 117.16 124.81 2k4k n TYR 11 Ca -0.17 -1.57 -0.12 0.00 3.32 0.00 0.00 57.90 59.36 2k4k n TYR 11 Cb 0.52 0.26 -0.14 0.00 -0.63 0.00 0.00 39.34 39.35 2k4k n TYR 11 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 2k4k s THR 12 N -2.74 -0.01 0.34 2.97 2.01 -1.26 -0.87 115.64 116.08 2k4k s THR 12 Ca 0.21 0.02 -0.04 0.00 0.31 0.00 0.00 61.69 62.19 2k4k s THR 12 Cb 0.00 -0.04 0.02 0.00 0.01 0.00 0.00 72.50 72.49 2k4k s THR 12 CO 0.15 0.01 0.51 0.61 -0.69 0.00 0.00 174.62 175.21 2k4k n GLY 13 N 3.17 1.98 3.12 4.40 0.00 -0.18 -4.81 105.19 112.87 2k4k n GLY 13 Ca -0.13 -1.55 -0.32 0.00 0.00 0.00 0.00 46.02 44.02 2k4k n GLY 13 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k4k s LYS 14 N -2.66 2.85 0.04 1.61 2.36 0.08 -0.82 119.74 123.20 2k4k s LYS 14 Ca 0.26 -0.78 -0.30 0.00 -2.55 0.00 0.00 55.97 52.59 2k4k s LYS 14 Cb -0.01 -2.41 -0.07 0.00 -1.05 0.00 0.00 37.83 34.28 2k4k s LYS 14 CO 0.19 -0.14 1.60 0.08 1.55 0.00 0.00 175.35 178.63 2k4k s VAL 15 N 1.14 3.23 -0.43 4.02 1.01 0.03 -0.89 120.40 128.50 2k4k s VAL 15 Ca 0.00 0.63 0.19 0.00 0.00 0.00 0.00 61.98 62.80 2k4k s VAL 15 Cb -0.14 -3.41 -0.25 0.00 0.00 0.00 0.00 36.38 32.58 2k4k s VAL 15 CO -0.08 -0.01 0.60 0.35 0.00 0.00 0.00 175.10 175.96 2k4k n THR 16 N 4.79 0.00 -3.61 3.92 -2.24 0.17 -1.15 114.28 116.17 2k4k n THR 16 Ca 0.15 -0.26 0.02 0.00 -2.27 0.00 0.00 64.05 61.69 2k4k n THR 16 Cb 0.41 0.51 -0.00 0.00 -2.10 0.00 0.00 70.33 69.15 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 -3.53 -0.43 0.14 3.38 0.00 -1.19 -4.89 107.32 100.80 2k4k s GLY 17 Ca -0.00 0.78 0.07 0.00 0.00 0.00 0.00 44.72 45.57 2k4k s GLY 17 CO 0.79 0.14 -0.17 1.08 0.00 0.00 0.00 173.10 174.95 2k4k s LEU 18 N -2.96 2.41 0.13 0.66 1.43 -1.26 -0.90 118.68 118.19 2k4k s LEU 18 Ca 0.14 -0.82 -0.03 0.00 -1.03 0.00 0.00 54.13 52.39 2k4k s LEU 18 Cb 0.05 -0.71 -0.03 0.00 0.03 0.00 0.00 46.19 45.54 2k4k s LEU 18 CO -0.04 -0.08 0.10 -1.10 0.23 0.00 0.00 176.35 175.46 2k4k s GLN 19 N -2.66 0.94 0.13 1.70 -0.21 0.54 -4.96 119.66 115.14 2k4k s GLN 19 Ca 0.12 -1.35 0.11 0.00 0.02 0.00 0.00 55.36 54.25 2k4k s GLN 19 Cb -0.06 0.27 0.56 0.00 1.00 0.00 0.00 33.01 34.78 2k4k s GLN 19 CO 0.05 -0.28 1.34 0.00 -2.12 0.00 0.00 175.29 174.28 2k4k n ALA 20 N -0.10 1.15 -0.68 6.09 0.00 -1.26 -2.65 120.51 123.07 2k4k n ALA 20 Ca -0.07 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2k4k n ALA 20 Cb 0.63 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.92 2k4k n ALA 20 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2k4k n TYR 21 N -1.82 0.00 0.00 0.00 9.36 -1.26 -4.96 117.16 118.47 2k4k n TYR 21 Ca 0.00 -0.19 0.00 0.00 3.32 0.00 0.00 57.90 61.03 2k4k n TYR 21 Cb 0.05 -0.02 0.00 0.00 -0.63 0.00 0.00 39.34 38.74 2k4k n TYR 21 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2k4k n GLY 22 N -0.20 -0.60 3.04 2.98 0.00 -1.08 -0.83 105.19 108.50 2k4k n GLY 22 Ca 0.00 -1.13 -0.24 0.00 0.00 0.00 0.00 46.02 44.66 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 1.20 0.31 4.61 0.00 0.02 -0.34 121.76 125.55 2k4k s ALA 23 Ca 0.00 -0.44 -0.22 0.00 0.00 0.00 0.00 51.96 51.31 2k4k s ALA 23 Cb 0.00 -0.49 -0.09 0.00 0.00 0.00 0.00 23.12 22.53 2k4k s ALA 23 CO 0.00 0.15 0.85 -0.06 0.00 0.00 0.00 175.76 176.70 2k4k s PHE 24 N 0.44 3.58 -0.02 0.00 0.08 -0.08 -0.67 117.98 121.31 2k4k s PHE 24 Ca -0.10 1.56 0.00 0.00 0.12 0.00 0.00 56.93 58.51 2k4k s PHE 24 Cb -0.13 -2.76 0.03 0.00 -0.57 0.00 0.00 43.02 39.58 2k4k s PHE 24 CO 0.03 0.19 0.02 0.08 -0.10 0.00 0.00 175.22 175.43 2k4k s VAL 25 N -1.71 0.05 0.08 -0.44 1.01 -0.22 -0.66 120.40 118.50 2k4k s VAL 25 Ca 0.50 0.16 -0.20 0.00 0.00 0.00 0.00 61.98 62.44 2k4k s VAL 25 Cb -0.15 -0.17 -0.07 0.00 0.00 0.00 0.00 36.38 35.99 2k4k s VAL 25 CO 0.20 0.11 0.57 0.00 0.00 0.00 0.00 175.10 175.99 2k4k s ALA 26 N 1.05 3.59 0.00 5.51 0.00 -0.07 -1.15 121.76 130.68 2k4k s ALA 26 Ca -0.09 0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.91 2k4k s ALA 26 Cb -0.13 -2.64 0.00 0.00 0.00 0.00 0.00 23.12 20.34 2k4k s ALA 26 CO -0.02 0.40 0.00 1.28 0.00 0.00 0.00 175.76 177.41 2k4k n LEU 27 N 1.72 1.03 -3.81 0.00 4.77 0.01 -0.74 117.00 119.98 2k4k n LEU 27 Ca -0.10 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.82 2k4k n LEU 27 Cb 0.51 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.58 2k4k n LEU 27 CO 0.41 0.17 0.53 -0.62 -1.33 0.00 0.00 177.39 176.56 2k4k s ASP 28 N -3.18 -0.25 0.64 -1.43 2.15 -0.28 -4.86 116.67 109.47 2k4k s ASP 28 Ca 0.00 -0.53 0.31 0.00 0.43 0.00 0.00 52.55 52.77 2k4k s ASP 28 Cb 0.00 0.66 1.71 0.00 -0.30 0.00 0.00 42.92 44.99 2k4k s ASP 28 CO 0.00 -1.21 2.00 -0.33 -0.17 0.00 0.00 175.17 175.46 2k4k h GLU 29 N 2.00 0.00 0.00 4.34 5.08 -2.04 -2.19 114.58 121.76 2k4k h GLU 29 Ca -0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 2k4k h GLU 29 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2k4k h GLU 29 CO 0.24 0.00 -0.03 0.39 -1.00 0.00 0.00 179.01 178.61 2k4k n GLU 30 N -3.18 1.62 -3.69 2.33 1.02 -1.26 -5.02 120.64 112.46 2k4k n GLU 30 Ca 0.00 -2.13 -0.11 0.00 -0.02 0.00 0.00 57.16 54.90 2k4k n GLU 30 Cb 0.38 -1.27 -0.11 0.00 -0.02 0.00 0.00 31.44 30.41 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 -2.11 -0.17 -0.16 2.62 2.01 -0.82 -4.70 115.64 112.31 2k4k s THR 31 Ca 0.21 0.14 -0.25 0.00 0.31 0.00 0.00 61.69 62.09 2k4k s THR 31 Cb 0.18 -0.55 0.06 0.00 0.01 0.00 0.00 72.50 72.20 2k4k s THR 31 CO 0.02 0.06 0.64 -1.58 -0.69 0.00 0.00 174.62 173.07 2k4k s GLN 32 N 1.67 0.86 0.16 4.92 -0.44 -1.26 -0.81 119.66 124.76 2k4k s GLN 32 Ca -0.07 0.60 -0.04 0.00 -2.50 0.00 0.00 55.36 53.34 2k4k s GLN 32 Cb -0.10 0.41 0.02 0.00 -1.64 0.00 0.00 33.01 31.70 2k4k s GLN 32 CO -0.11 -0.18 0.29 0.41 0.50 0.00 0.00 175.29 176.19 2k4k n GLY 33 N 1.98 1.94 2.84 2.59 0.00 -0.30 -3.45 105.19 110.78 2k4k n GLY 33 Ca -0.16 -1.23 -0.26 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.12 0.99 2.96 0.02 -1.06 118.68 122.63 2k4k s LEU 34 Ca 0.08 -0.43 -0.29 0.00 -0.22 0.00 0.00 54.13 53.27 2k4k s LEU 34 Cb -0.02 -0.72 -0.01 0.00 0.50 0.00 0.00 46.19 45.94 2k4k s LEU 34 CO 0.06 -0.19 1.01 -0.69 -1.32 0.00 0.00 176.35 175.22 2k4k s VAL 35 N 1.78 4.78 0.41 1.68 1.01 0.15 -0.98 120.40 129.23 2k4k s VAL 35 Ca 0.03 2.04 -0.23 0.00 0.00 0.00 0.00 61.98 63.82 2k4k s VAL 35 Cb -0.14 -4.31 -0.10 0.00 0.00 0.00 0.00 36.38 31.83 2k4k s VAL 35 CO -0.07 -0.01 0.99 -1.00 0.00 0.00 0.00 175.10 175.01 2k4k s HIS 36 N 2.11 3.32 0.42 5.22 0.09 -1.25 -0.80 115.29 124.40 2k4k s HIS 36 Ca 0.48 1.65 0.15 0.00 -0.00 0.00 0.00 55.06 57.33 2k4k s HIS 36 Cb -0.18 -2.98 1.02 0.00 -0.00 0.00 0.00 32.58 30.44 2k4k s HIS 36 CO 0.17 -0.31 1.92 0.97 -0.00 0.00 0.00 174.74 177.49 2k4k h ILE 37 N 2.07 0.81 0.00 0.60 2.10 -1.33 0.63 117.51 122.39 2k4k h ILE 37 Ca -0.48 -0.16 0.00 0.00 1.08 0.00 0.00 64.86 65.30 2k4k h ILE 37 Cb 1.20 0.32 0.00 0.00 -1.09 0.00 0.00 36.82 37.25 2k4k h ILE 37 CO 0.62 0.08 0.00 -1.20 -1.08 0.00 0.00 178.15 176.57 2k4k n SER 38 N -4.49 0.00 0.00 2.19 7.64 -1.26 -1.89 113.62 115.82 2k4k n SER 38 Ca 0.14 0.40 0.00 0.00 1.01 0.00 0.00 58.87 60.42 2k4k n SER 38 Cb 0.50 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 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 -1.43 -0.25 0.02 1.43 -0.58 0.20 -4.74 120.64 115.29 2k4k n GLU 39 Ca 0.02 -0.64 -0.12 0.00 -0.42 0.00 0.00 57.16 55.99 2k4k n GLU 39 Cb 0.05 -0.97 -0.00 0.00 -0.57 0.00 0.00 31.44 29.95 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 0.09 1.34 -3.70 2.62 2.07 -1.25 0.11 116.25 117.52 2k4k h VAL 40 Ca 0.00 -2.04 -0.12 0.00 0.82 0.00 0.00 66.70 65.35 2k4k h VAL 40 Cb 0.13 2.02 -0.07 0.00 -1.52 0.00 0.00 31.29 31.85 2k4k h VAL 40 CO 0.00 0.63 -0.07 -0.89 0.02 0.00 0.00 177.57 177.25 2k4k s THR 41 N -3.71 0.00 0.33 2.57 2.01 -1.26 -3.85 115.64 111.73 2k4k s THR 41 Ca -0.07 -1.40 0.10 0.00 0.31 0.00 0.00 61.69 60.63 2k4k s THR 41 Cb 0.10 -2.46 0.36 0.00 0.01 0.00 0.00 72.50 70.51 2k4k s THR 41 CO 0.86 0.00 1.60 -0.74 -0.69 0.00 0.00 174.62 175.65 2k4k h HIS 42 N 2.16 0.48 0.00 4.92 2.76 -1.90 -3.43 115.15 120.14 2k4k h HIS 42 Ca -0.28 0.05 0.00 0.00 -2.20 0.00 0.00 60.37 57.94 2k4k h HIS 42 Cb 1.25 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 30.16 2k4k h HIS 42 CO 0.94 -0.37 0.00 0.41 -1.30 0.00 0.00 177.93 177.61 2k4k n GLY 43 N -1.36 0.18 1.65 5.26 0.00 -1.26 -4.97 105.19 104.68 2k4k n GLY 43 Ca 0.29 -0.01 -0.03 0.00 0.00 0.00 0.00 46.02 46.28 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 0.00 0.00 -1.75 1.61 3.72 -1.26 -4.89 117.46 114.89 2k4k n PHE 44 Ca 0.00 -1.04 -0.41 0.00 -0.05 0.00 0.00 57.45 55.95 2k4k n PHE 44 Cb 0.00 -0.72 -0.03 0.00 -0.94 0.00 0.00 39.48 37.79 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 0.36 3.17 0.12 -4.37 1.01 -1.26 -4.86 120.40 114.56 2k4k s VAL 45 Ca 0.14 0.16 -0.18 0.00 0.00 0.00 0.00 61.98 62.10 2k4k s VAL 45 Cb 0.07 -3.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.12 2k4k s VAL 45 CO 0.00 -0.21 1.69 0.11 0.00 0.00 0.00 175.10 176.68 2k4k h LYS 46 N 15.46 0.41 -2.19 2.72 1.79 -1.97 -3.44 116.57 129.34 2k4k h LYS 46 Ca -0.34 -0.06 -0.07 0.00 -2.18 0.00 0.00 60.65 58.01 2k4k h LYS 46 Cb 1.22 -0.07 -0.21 0.00 -1.58 0.00 0.00 32.23 31.59 2k4k h LYS 46 CO 1.05 0.39 0.07 0.34 -1.08 0.00 0.00 179.45 180.22 2k4k s ASP 47 N -5.64 -0.62 0.34 0.86 -1.08 -1.26 -5.07 116.67 104.19 2k4k s ASP 47 Ca -0.13 0.97 0.04 0.00 -0.52 0.00 0.00 52.55 52.90 2k4k s ASP 47 Cb 0.09 0.93 0.66 0.00 -1.46 0.00 0.00 42.92 43.14 2k4k s ASP 47 CO 0.72 -0.39 1.94 -0.29 0.52 0.00 0.00 175.17 177.68 2k4k h ILE 48 N 3.67 1.04 0.00 4.11 2.10 -1.92 -1.74 117.51 124.78 2k4k h ILE 48 Ca -0.28 -0.29 0.00 0.00 1.08 0.00 0.00 64.86 65.37 2k4k h ILE 48 Cb 1.16 0.11 0.00 0.00 -1.09 0.00 0.00 36.82 37.00 2k4k h ILE 48 CO 0.24 0.16 0.00 -0.46 -1.08 0.00 0.00 178.15 177.00 2k4k n ASN 49 N -4.48 0.29 -0.27 2.19 0.23 -1.26 -0.82 115.26 111.14 2k4k n ASN 49 Ca 0.11 0.57 0.13 0.00 -0.53 0.00 0.00 54.58 54.86 2k4k n ASN 49 Cb 0.21 -0.63 0.38 0.00 -2.08 0.00 0.00 39.78 37.66 2k4k n ASN 49 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2k4k n GLU 50 N -1.82 0.92 0.00 -3.83 1.02 -0.65 -4.44 120.64 111.83 2k4k n GLU 50 Ca 0.03 -0.55 0.00 0.00 -0.02 0.00 0.00 57.16 56.62 2k4k n GLU 50 Cb 0.21 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 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 -0.56 0.00 -4.01 -0.32 8.25 -0.48 -4.64 115.22 113.46 2k4k n HIS 51 Ca 0.13 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.45 2k4k n HIS 51 Cb 0.35 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.44 2k4k n HIS 51 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2k4k n LEU 52 N -0.32 0.00 -3.65 2.41 7.94 0.00 -4.70 117.00 118.69 2k4k n LEU 52 Ca 0.00 -2.72 -0.14 0.00 -1.11 0.00 0.00 56.01 52.05 2k4k n LEU 52 Cb 0.00 2.57 -0.08 0.00 0.53 0.00 0.00 43.42 46.44 2k4k n LEU 52 CO 0.00 -0.65 0.36 -0.44 -1.11 0.00 0.00 177.39 175.55 2k4k s SER 53 N -3.08 -0.70 0.55 1.96 0.01 -1.26 -4.34 113.70 106.84 2k4k s SER 53 Ca 0.27 1.35 -0.20 0.00 1.31 0.00 0.00 55.95 58.67 2k4k s SER 53 Cb -0.01 1.36 -0.05 0.00 0.21 0.00 0.00 66.02 67.53 2k4k s SER 53 CO 0.19 -0.23 1.20 0.54 0.41 0.00 0.00 173.24 175.35 2k4k s VAL 54 N 0.38 2.75 -0.85 3.43 0.11 -1.26 -3.53 120.40 121.43 2k4k s VAL 54 Ca -0.00 0.50 -0.01 0.00 -2.93 0.00 0.00 61.98 59.53 2k4k s VAL 54 Cb -0.05 -3.22 0.00 0.00 -1.53 0.00 0.00 36.38 31.59 2k4k s VAL 54 CO 0.00 -0.07 0.16 0.61 -3.33 0.00 0.00 175.10 172.48 2k4k n GLY 55 N 0.47 0.00 3.37 6.54 0.00 -0.30 -4.75 105.19 110.53 2k4k n GLY 55 Ca 0.12 -0.38 -0.19 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.69 2.46 -0.15 1.61 2.15 -1.23 -4.95 116.67 113.87 2k4k s ASP 56 Ca 0.08 -1.12 -0.04 0.00 0.43 0.00 0.00 52.55 51.90 2k4k s ASP 56 Cb -0.04 -0.11 -0.03 0.00 -0.30 0.00 0.00 42.92 42.44 2k4k s ASP 56 CO 0.10 -0.31 -0.01 -0.70 -0.17 0.00 0.00 175.17 174.09 2k4k s GLU 57 N -3.72 3.62 -0.01 4.34 2.12 -1.26 -0.79 118.70 123.00 2k4k s GLU 57 Ca 0.26 -0.46 -0.03 0.00 0.36 0.00 0.00 54.97 55.09 2k4k s GLU 57 Cb 0.02 -2.96 -0.00 0.00 0.26 0.00 0.00 34.13 31.45 2k4k s GLU 57 CO 0.09 0.34 0.07 0.14 -0.54 0.00 0.00 175.26 175.35 2k4k s VAL 58 N 0.13 0.05 0.28 3.70 -7.23 0.00 -4.99 120.40 112.35 2k4k s VAL 58 Ca 0.01 -0.43 -0.28 0.00 -1.81 0.00 0.00 61.98 59.46 2k4k s VAL 58 Cb -0.13 -0.25 -0.09 0.00 0.56 0.00 0.00 36.38 36.47 2k4k s VAL 58 CO 0.02 -0.24 0.95 -1.10 -0.31 0.00 0.00 175.10 174.43 2k4k s GLN 59 N -0.75 4.71 0.03 4.82 -0.21 -1.26 -1.01 119.66 125.99 2k4k s GLN 59 Ca -0.08 1.44 0.02 0.00 0.02 0.00 0.00 55.36 56.76 2k4k s GLN 59 Cb -0.05 -3.05 -0.02 0.00 1.00 0.00 0.00 33.01 30.89 2k4k s GLN 59 CO 0.00 0.38 -0.07 0.14 -2.12 0.00 0.00 175.29 173.62 2k4k s VAL 60 N -1.38 0.51 -0.18 1.09 -7.23 -0.05 -4.72 120.40 108.44 2k4k s VAL 60 Ca 0.46 -0.91 -0.07 0.00 -1.81 0.00 0.00 61.98 59.65 2k4k s VAL 60 Cb -0.23 -0.55 -0.04 0.00 0.56 0.00 0.00 36.38 36.12 2k4k s VAL 60 CO 0.29 -0.28 0.06 -0.75 -0.31 0.00 0.00 175.10 174.10 2k4k s LYS 61 N -1.29 3.93 0.04 4.82 2.20 -0.28 -0.82 119.74 128.33 2k4k s LYS 61 Ca -0.08 -0.34 -0.30 0.00 -0.36 0.00 0.00 55.97 54.89 2k4k s LYS 61 Cb -0.08 -3.19 -0.07 0.00 -1.51 0.00 0.00 37.83 32.98 2k4k s LYS 61 CO 0.00 0.30 1.48 0.08 -0.36 0.00 0.00 175.35 176.85 2k4k s VAL 62 N 0.28 3.43 -0.08 4.02 1.01 0.19 -1.08 120.40 128.17 2k4k s VAL 62 Ca 0.03 0.88 0.07 0.00 0.00 0.00 0.00 61.98 62.96 2k4k s VAL 62 Cb -0.12 -3.56 -0.10 0.00 0.00 0.00 0.00 36.38 32.59 2k4k s VAL 62 CO 0.00 0.01 0.02 -0.11 0.00 0.00 0.00 175.10 175.02 2k4k n LEU 63 N 5.21 0.22 -3.54 3.92 7.94 0.22 -1.08 117.00 129.90 2k4k n LEU 63 Ca 0.14 -0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.92 2k4k n LEU 63 Cb 0.42 0.16 -0.04 0.00 0.53 0.00 0.00 43.42 44.50 2k4k n LEU 63 CO 0.60 0.24 0.27 0.00 -1.11 0.00 0.00 177.39 177.39 2k4k s ALA 64 N -2.20 -1.24 -0.01 1.96 0.00 -0.95 -4.85 121.76 114.46 2k4k s ALA 64 Ca -0.05 0.24 0.02 0.00 0.00 0.00 0.00 51.96 52.17 2k4k s ALA 64 Cb 0.03 0.73 -0.00 0.00 0.00 0.00 0.00 23.12 23.87 2k4k s ALA 64 CO 0.34 -0.67 -0.07 0.08 0.00 0.00 0.00 175.76 175.43 2k4k s VAL 65 N -3.61 0.58 -0.40 0.00 1.01 -1.26 -0.86 120.40 115.85 2k4k s VAL 65 Ca 0.01 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 61.73 2k4k s VAL 65 Cb 0.00 -0.50 0.16 0.00 0.00 0.00 0.00 36.38 36.05 2k4k s VAL 65 CO -0.11 0.17 0.34 -0.62 0.00 0.00 0.00 175.10 174.88 2k4k s ASP 66 N -0.04 1.57 0.49 3.32 -1.08 -0.09 -4.98 116.67 115.86 2k4k s ASP 66 Ca 0.01 -2.49 0.26 0.00 -0.52 0.00 0.00 52.55 49.80 2k4k s ASP 66 Cb -0.04 -0.08 1.25 0.00 -1.46 0.00 0.00 42.92 42.58 2k4k s ASP 66 CO -0.00 -0.21 1.98 -0.33 0.52 0.00 0.00 175.17 177.13 2k4k h GLU 67 N 6.18 0.00 -0.27 4.34 5.08 -1.79 0.14 114.58 128.25 2k4k h GLU 67 Ca 0.16 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.39 2k4k h GLU 67 Cb 0.96 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.21 2k4k h GLU 67 CO 0.28 0.17 -0.33 0.93 -1.00 0.00 0.00 179.01 179.07 2k4k h GLU 68 N 0.00 0.70 0.00 2.33 4.39 -1.93 0.11 114.58 120.19 2k4k h GLU 68 Ca -0.00 -0.39 -0.05 0.00 0.34 0.00 0.00 59.36 59.26 2k4k h GLU 68 Cb 0.49 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 2k4k h GLU 68 CO 0.02 1.01 -0.25 -0.22 -1.16 0.00 0.00 179.01 178.42 2k4k h LYS 69 N 0.44 0.00 -2.77 2.33 3.64 -1.86 -3.41 116.57 114.94 2k4k h LYS 69 Ca 0.04 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.27 2k4k h LYS 69 Cb 0.91 0.00 0.05 0.00 -0.41 0.00 0.00 32.23 32.78 2k4k h LYS 69 CO 0.08 0.25 -0.25 0.41 -2.27 0.00 0.00 179.45 177.66 2k4k n GLY 70 N 0.12 0.39 3.18 5.01 0.00 0.31 -4.82 105.19 109.37 2k4k n GLY 70 Ca -0.00 -0.33 -0.11 0.00 0.00 0.00 0.00 46.02 45.58 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 -5.47 1.00 -0.06 1.61 -0.14 -0.27 -4.89 119.74 111.53 2k4k s LYS 71 Ca 0.22 -1.48 -0.04 0.00 -1.36 0.00 0.00 55.97 53.30 2k4k s LYS 71 Cb -0.09 0.10 0.02 0.00 -1.68 0.00 0.00 37.83 36.18 2k4k s LYS 71 CO 0.27 -0.24 0.14 0.42 -0.76 0.00 0.00 175.35 175.18 2k4k s ILE 72 N -3.95 -0.02 0.05 2.17 1.01 -1.22 -0.91 121.20 118.33 2k4k s ILE 72 Ca 0.25 0.07 -0.11 0.00 0.00 0.00 0.00 60.65 60.86 2k4k s ILE 72 Cb 0.07 -0.21 -0.06 0.00 0.01 0.00 0.00 42.46 42.27 2k4k s ILE 72 CO 0.03 0.03 0.38 -0.44 0.00 0.00 0.00 174.94 174.94 2k4k s SER 73 N 0.49 6.66 0.23 3.58 0.01 -0.04 -0.80 113.70 123.83 2k4k s SER 73 Ca -0.03 0.80 0.03 0.00 1.31 0.00 0.00 55.95 58.06 2k4k s SER 73 Cb -0.05 -2.18 -0.05 0.00 0.21 0.00 0.00 66.02 63.95 2k4k s SER 73 CO -0.02 0.23 -0.00 -0.76 0.41 0.00 0.00 173.24 173.09 2k4k s LEU 74 N -1.66 2.17 -0.00 2.44 1.43 -0.15 -0.61 118.68 122.31 2k4k s LEU 74 Ca 0.30 -1.22 -0.05 0.00 -1.03 0.00 0.00 54.13 52.13 2k4k s LEU 74 Cb -0.14 -0.25 -0.00 0.00 0.03 0.00 0.00 46.19 45.82 2k4k s LEU 74 CO 0.16 -0.52 0.09 -0.94 0.23 0.00 0.00 176.35 175.37 2k4k s SER 75 N -3.30 0.06 -0.10 2.29 1.04 -0.24 -3.86 113.70 109.58 2k4k s SER 75 Ca 0.28 -0.21 -0.01 0.00 0.48 0.00 0.00 55.95 56.50 2k4k s SER 75 Cb 0.06 0.18 -0.06 0.00 0.10 0.00 0.00 66.02 66.30 2k4k s SER 75 CO 0.09 -0.30 -0.10 -0.38 0.98 0.00 0.00 173.24 173.52 2k4k n ILE 76 N 1.74 0.59 0.22 -1.02 2.08 -0.03 -1.13 119.36 121.81 2k4k n ILE 76 Ca -0.21 -0.20 0.18 0.00 0.56 0.00 0.00 62.75 63.07 2k4k n ILE 76 Cb 0.56 -1.06 0.86 0.00 -0.75 0.00 0.00 39.64 39.25 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 -0.10 0.00 0.00 0.38 0.11 -1.00 0.22 114.38 114.00 2k4k h ARG 77 Ca -0.24 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.84 2k4k h ARG 77 Cb 1.32 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.40 2k4k h ARG 77 CO -0.07 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.00 2k4k h ALA 78 N 1.68 1.00 0.00 0.08 0.00 -1.82 -3.39 119.26 116.81 2k4k h ALA 78 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2k4k h ALA 78 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2k4k h ALA 78 CO -0.00 0.00 0.00 -2.37 0.00 0.00 0.00 179.25 176.88 2k4k n THR 79 N -2.86 0.00 -4.23 0.00 5.66 0.06 -4.97 114.28 107.94 2k4k n THR 79 Ca 0.01 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.84 2k4k n THR 79 Cb 0.27 0.72 -0.11 0.00 -1.55 0.00 0.00 70.33 69.66 2k4k n THR 79 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 2k4k s GLN 80 N 0.00 0.99 0.24 1.09 -0.21 0.55 -4.96 119.66 117.36 2k4k s GLN 80 Ca 0.00 -1.26 -0.14 0.00 0.02 0.00 0.00 55.36 53.97 2k4k s GLN 80 Cb 0.00 -0.78 0.00 0.00 1.00 0.00 0.00 33.01 33.24 2k4k s GLN 80 CO 0.00 0.14 0.51 0.00 -2.12 0.00 0.00 175.29 173.82 2k4k s ALA 81 N -2.42 -0.47 -1.20 6.09 0.00 -1.26 -4.22 121.76 118.29 2k4k s ALA 81 Ca 0.10 -0.71 -0.35 0.00 0.00 0.00 0.00 51.96 51.00 2k4k s ALA 81 Cb -0.03 1.00 0.05 0.00 0.00 0.00 0.00 23.12 24.13 2k4k s ALA 81 CO 0.02 -0.86 0.67 0.00 0.00 0.00 0.00 175.76 175.59 2k4k n ALA 82 N -0.38 -2.60 -0.99 0.00 0.00 -1.26 -4.91 120.51 110.36 2k4k n ALA 82 Ca -0.03 -0.60 -0.28 0.00 0.00 0.00 0.00 53.44 52.52 2k4k n ALA 82 Cb 0.62 -2.50 0.20 0.00 0.00 0.00 0.00 19.45 17.77 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 -7.46 -0.08 0.13 0.00 0.04 -1.26 -5.10 135.00 121.27 2k4k s PRO 83 Ca 0.49 0.56 -0.05 0.00 0.04 0.00 0.00 61.00 62.04 2k4k s PRO 83 Cb -0.27 -1.67 -0.02 0.00 0.04 0.00 0.00 34.50 32.57 2k4k s PRO 83 CO 0.97 -3.08 0.14 -2.00 0.04 0.00 0.00 177.00 173.07 2k4k s GLU 84 N -4.83 0.96 0.28 4.56 2.56 -1.26 -4.96 118.70 116.00 2k4k s GLU 84 Ca 0.66 -1.26 0.05 0.00 0.00 0.00 0.00 54.97 54.43 2k4k s GLU 84 Cb -0.20 0.30 -0.06 0.00 2.00 0.00 0.00 34.13 36.17 2k4k s GLU 84 CO 0.60 -0.30 -0.01 -1.59 -0.56 0.00 0.00 175.26 173.40 2k4k s LYS 85 N -3.98 1.54 0.19 4.30 0.00 -1.26 -4.57 119.74 115.95 2k4k s LYS 85 Ca 0.17 -1.80 -0.13 0.00 0.00 0.00 0.00 55.97 54.21 2k4k s LYS 85 Cb 0.06 -0.96 0.00 0.00 0.00 0.00 0.00 37.83 36.93 2k4k s LYS 85 CO -0.02 -0.06 0.40 -1.59 0.00 0.00 0.00 175.35 174.08 2k4k s LYS 86 N -3.80 1.30 -0.27 1.78 0.00 -1.26 -5.08 119.74 112.40 2k4k s LYS 86 Ca 0.31 -1.08 -0.01 0.00 0.00 0.00 0.00 55.97 55.20 2k4k s LYS 86 Cb 0.06 0.44 0.14 0.00 0.00 0.00 0.00 37.83 38.47 2k4k s LYS 86 CO 0.12 -0.52 0.34 -2.00 0.00 0.00 0.00 175.35 173.29 2k4k s GLU 87 N -3.94 0.34 0.48 1.78 2.12 -1.26 -4.75 118.70 113.46 2k4k s GLU 87 Ca 0.15 0.11 0.18 0.00 0.36 0.00 0.00 54.97 55.77 2k4k s GLU 87 Cb 0.01 -0.58 1.16 0.00 0.26 0.00 0.00 34.13 34.98 2k4k s GLU 87 CO 0.00 -0.91 2.04 0.77 -0.54 0.00 0.00 175.26 176.62 2k4k h SER 88 N 8.22 0.00 -4.20 -1.70 0.02 -1.92 -3.44 113.55 110.53 2k4k h SER 88 Ca -0.14 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.28 2k4k h SER 88 Cb 1.11 0.00 0.17 0.00 0.14 0.00 0.00 62.40 63.82 2k4k h SER 88 CO 0.30 0.14 0.36 -0.54 -1.14 0.00 0.00 176.83 175.94 2k4k s LYS 89 N -4.63 1.88 0.85 3.45 1.02 -1.26 -5.01 119.74 116.04 2k4k s LYS 89 Ca -0.04 1.72 -0.10 0.00 0.02 0.00 0.00 55.97 57.57 2k4k s LYS 89 Cb 0.15 -1.81 0.11 0.00 -0.52 0.00 0.00 37.83 35.76 2k4k s LYS 89 CO 0.67 -2.03 1.12 -1.25 -0.92 0.00 0.00 175.35 172.94 2k4k s PRO 90 N -4.08 1.57 1.12 -1.68 0.04 -1.26 -5.01 135.00 125.70 2k4k s PRO 90 Ca 0.73 1.39 -0.12 0.00 0.04 0.00 0.00 61.00 63.03 2k4k s PRO 90 Cb -0.28 -1.80 0.26 0.00 0.04 0.00 0.00 34.50 32.71 2k4k s PRO 90 CO 0.48 -2.19 1.05 1.03 0.04 0.00 0.00 177.00 177.41 2k4k s ARG 91 N -4.75 -0.55 0.04 4.56 1.81 -1.26 -5.08 118.95 113.72 2k4k s ARG 91 Ca 0.64 0.89 -0.00 0.00 -1.72 0.00 0.00 55.73 55.54 2k4k s ARG 91 Cb -0.20 -1.59 -0.03 0.00 -0.45 0.00 0.00 34.95 32.67 2k4k s ARG 91 CO 0.57 -3.49 -0.03 0.15 -0.68 0.00 0.00 175.30 171.81 2k4k s LYS 92 N -4.54 0.48 0.43 3.54 -0.14 -1.26 -5.06 119.74 113.19 2k4k s LYS 92 Ca 0.68 -0.93 0.29 0.00 -1.36 0.00 0.00 55.97 54.65 2k4k s LYS 92 Cb -0.24 0.14 1.17 0.00 -1.68 0.00 0.00 37.83 37.22 2k4k s LYS 92 CO 0.63 -0.08 1.86 -1.00 -0.76 0.00 0.00 175.35 176.01 2k4k h PRO 93 N 3.86 0.00 -3.81 -1.68 0.13 -2.01 -3.44 132.00 125.04 2k4k h PRO 93 Ca -0.33 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.71 2k4k h PRO 93 Cb 1.17 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.18 2k4k h PRO 93 CO 0.54 0.00 -0.31 -1.59 -0.23 0.00 0.00 178.00 176.41 2k4k s LYS 94 N -3.50 1.08 0.65 0.86 -2.85 -1.26 -5.16 119.74 109.55 2k4k s LYS 94 Ca 0.03 -1.08 -0.17 0.00 -1.00 0.00 0.00 55.97 53.75 2k4k s LYS 94 Cb 0.09 0.38 -0.01 0.00 -2.06 0.00 0.00 37.83 36.23 2k4k s LYS 94 CO 0.49 -0.39 1.19 0.00 0.10 0.00 0.00 175.35 176.75 2k4k s ALA 95 N -3.93 2.40 1.03 0.59 0.00 -1.26 -5.05 121.76 115.54 2k4k s ALA 95 Ca 0.13 0.90 -0.14 0.00 0.00 0.00 0.00 51.96 52.86 2k4k s ALA 95 Cb 0.03 -3.44 0.20 0.00 0.00 0.00 0.00 23.12 19.92 2k4k s ALA 95 CO -0.04 -1.41 1.10 0.00 0.00 0.00 0.00 175.76 175.41 2k4k s ALA 96 N -1.82 0.94 0.02 0.00 0.00 -1.26 -5.11 121.76 114.52 2k4k s ALA 96 Ca 0.75 -0.50 -0.07 0.00 0.00 0.00 0.00 51.96 52.14 2k4k s ALA 96 Cb -0.29 -3.06 -0.00 0.00 0.00 0.00 0.00 23.12 19.77 2k4k s ALA 96 CO 0.38 -2.94 0.12 -1.14 0.00 0.00 0.00 175.76 172.18 2k4k s GLN 97 N -5.08 0.52 0.51 0.00 0.74 -1.26 -5.06 119.66 110.03 2k4k s GLN 97 Ca 0.66 -0.52 0.17 0.00 0.05 0.00 0.00 55.36 55.72 2k4k s GLN 97 Cb -0.17 0.21 1.27 0.00 1.10 0.00 0.00 33.01 35.42 2k4k s GLN 97 CO 0.57 -0.13 2.13 -0.24 -0.55 0.00 0.00 175.29 177.07 2k4k h VAL 98 N 4.05 0.98 -4.14 1.34 3.04 -1.99 -3.44 116.25 116.09 2k4k h VAL 98 Ca -0.31 -0.14 -0.14 0.00 -1.01 0.00 0.00 66.70 65.10 2k4k h VAL 98 Cb 1.19 1.08 -0.14 0.00 -2.01 0.00 0.00 31.29 31.41 2k4k h VAL 98 CO 0.44 0.04 -0.50 -0.44 -1.01 0.00 0.00 177.57 176.10 2k4k s SER 99 N -6.96 0.21 0.00 3.17 0.01 -1.26 -5.06 113.70 103.81 2k4k s SER 99 Ca -0.05 -1.00 0.32 0.00 1.31 0.00 0.00 55.95 56.53 2k4k s SER 99 Cb 0.17 0.34 1.88 0.00 0.21 0.00 0.00 66.02 68.61 2k4k s SER 99 CO 0.66 -0.77 2.21 -0.62 0.41 0.00 0.00 173.24 175.13 2k4k n GLU 100 N -0.11 0.97 -1.70 12.44 4.71 -1.26 -4.92 120.64 130.76 2k4k n GLU 100 Ca -0.08 0.00 -0.44 0.00 -0.01 0.00 0.00 57.16 56.63 2k4k n GLU 100 Cb 0.63 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.53 2k4k n GLU 100 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 2k4k n GLU 101 N -1.01 2.46 -3.48 3.49 4.07 -1.26 -5.00 120.64 119.91 2k4k n GLU 101 Ca 0.23 0.88 -0.13 0.00 -0.06 0.00 0.00 57.16 58.09 2k4k n GLU 101 Cb 0.11 -2.66 -0.03 0.00 -0.06 0.00 0.00 31.44 28.80 2k4k n GLU 101 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2k4k s ALA 102 N 0.60 -1.51 0.69 4.31 0.00 -1.26 -5.12 121.76 119.46 2k4k s ALA 102 Ca 0.72 0.57 -0.17 0.00 0.00 0.00 0.00 51.96 53.08 2k4k s ALA 102 Cb -0.57 0.67 0.01 0.00 0.00 0.00 0.00 23.12 23.23 2k4k s ALA 102 CO 0.41 -0.66 1.24 -1.12 0.00 0.00 0.00 175.76 175.62 2k4k s SER 103 N -2.42 4.45 0.29 0.00 0.01 -1.26 -4.96 113.70 109.80 2k4k s SER 103 Ca -0.01 2.46 -0.30 0.00 1.31 0.00 0.00 55.95 59.40 2k4k s SER 103 Cb -0.00 -2.60 -0.12 0.00 0.21 0.00 0.00 66.02 63.50 2k4k s SER 103 CO -0.08 -2.10 1.52 0.41 0.41 0.00 0.00 173.24 173.40 2k4k n THR 104 N -2.30 1.12 -1.52 1.44 -1.04 -1.26 -4.98 114.28 105.74 2k4k n THR 104 Ca 0.14 -0.28 -0.33 0.00 -2.04 0.00 0.00 64.05 61.55 2k4k n THR 104 Cb 0.49 -1.80 0.07 0.00 -1.82 0.00 0.00 70.33 67.28 2k4k n THR 104 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2k4k s PRO 105 N -0.65 2.47 0.00 -2.82 0.04 -1.26 -4.98 135.00 127.80 2k4k s PRO 105 Ca 0.64 1.39 0.00 0.00 0.04 0.00 0.00 61.00 63.07 2k4k s PRO 105 Cb -0.54 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.09 2k4k s PRO 105 CO 0.51 -1.51 0.66 1.04 0.04 0.00 0.00 177.00 177.74 2k4k n GLN 106 N -2.85 1.05 0.00 4.56 6.02 -1.26 -5.09 117.38 119.80 2k4k n GLN 106 Ca 0.10 -0.84 0.00 0.00 -0.01 0.00 0.00 57.00 56.25 2k4k n GLN 106 Cb 0.52 -0.68 0.00 0.00 1.02 0.00 0.00 30.24 31.10 2k4k n GLN 106 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2k4k n GLY 107 N -0.18 0.25 3.14 1.08 0.00 -1.26 -5.09 105.19 103.14 2k4k n GLY 107 Ca 0.00 -0.84 -0.09 0.00 0.00 0.00 0.00 46.02 45.08 2k4k n GLY 107 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2k4k s PHE 108 N -2.00 0.19 0.21 1.61 0.08 -1.26 -5.13 117.98 111.68 2k4k s PHE 108 Ca 0.00 -0.53 -0.17 0.00 0.12 0.00 0.00 56.93 56.35 2k4k s PHE 108 Cb 0.00 -0.13 0.02 0.00 -0.57 0.00 0.00 43.02 42.34 2k4k s PHE 108 CO 0.00 -0.42 0.52 1.21 -0.10 0.00 0.00 175.22 176.44 2k4k s ASN 109 N -2.34 -0.22 1.15 1.36 2.47 -1.26 -5.08 114.94 111.01 2k4k s ASN 109 Ca -0.02 -0.57 -0.13 0.00 0.42 0.00 0.00 52.86 52.56 2k4k s ASN 109 Cb 0.01 0.59 0.27 0.00 -1.45 0.00 0.00 41.25 40.67 2k4k s ASN 109 CO -0.06 -1.09 1.04 0.42 -3.72 0.00 0.00 177.10 173.69 2k4k s THR 110 N -3.90 2.02 0.34 -5.21 -4.23 -1.26 -4.91 115.64 98.49 2k4k s THR 110 Ca 0.12 0.01 0.08 0.00 -1.18 0.00 0.00 61.69 60.72 2k4k s THR 110 Cb -0.01 -2.10 0.32 0.00 1.34 0.00 0.00 72.50 72.05 2k4k s THR 110 CO -0.00 -0.01 1.84 0.25 -0.54 0.00 0.00 174.62 176.16 2k4k h LEU 111 N -2.56 0.69 -8.29 4.79 5.85 -2.02 -3.43 115.31 110.33 2k4k h LEU 111 Ca -0.61 0.05 -0.13 0.00 0.84 0.00 0.00 57.88 58.04 2k4k h LEU 111 Cb 1.33 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 42.22 2k4k h LEU 111 CO 0.51 0.32 -0.05 -1.59 -0.34 0.00 0.00 178.44 177.29 2k4k s LYS 112 N -5.72 1.85 0.10 1.25 -2.85 -1.26 -5.13 119.74 107.98 2k4k s LYS 112 Ca -0.10 -1.48 -0.31 0.00 -1.00 0.00 0.00 55.97 53.07 2k4k s LYS 112 Cb 0.23 0.50 -0.08 0.00 -2.06 0.00 0.00 37.83 36.41 2k4k s LYS 112 CO 0.79 -0.79 1.51 0.34 0.10 0.00 0.00 175.35 177.30 2k4k s ASP 113 N -3.11 6.71 -0.19 0.03 2.15 -1.26 -5.00 116.67 115.99 2k4k s ASP 113 Ca 0.24 2.41 -0.11 0.00 0.43 0.00 0.00 52.55 55.52 2k4k s ASP 113 Cb -0.02 -2.58 0.06 0.00 -0.30 0.00 0.00 42.92 40.08 2k4k s ASP 113 CO 0.14 -0.77 0.46 -0.75 -0.17 0.00 0.00 175.17 174.08 2k4k s LYS 114 N 1.71 0.47 -0.07 4.34 2.47 -1.26 -5.12 119.74 122.27 2k4k s LYS 114 Ca 0.68 0.84 -0.30 0.00 -1.56 0.00 0.00 55.97 55.64 2k4k s LYS 114 Cb -0.39 0.05 -0.05 0.00 -1.46 0.00 0.00 37.83 35.98 2k4k s LYS 114 CO 0.30 -0.14 1.58 -1.17 0.16 0.00 0.00 175.35 176.08 2k4k s LEU 115 N 1.26 4.30 0.35 5.43 1.98 -1.26 -4.97 118.68 125.76 2k4k s LEU 115 Ca -0.08 2.13 -0.09 0.00 -2.89 0.00 0.00 54.13 53.20 2k4k s LEU 115 Cb -0.07 -3.54 0.02 0.00 0.66 0.00 0.00 46.19 43.27 2k4k s LEU 115 CO -0.12 -0.89 0.60 -0.70 -1.89 0.00 0.00 176.35 173.35 2k4k s GLU 116 N 3.89 2.00 0.62 1.98 2.56 -1.26 -5.05 118.70 123.46 2k4k s GLU 116 Ca 0.70 -1.58 0.33 0.00 0.00 0.00 0.00 54.97 54.42 2k4k s GLU 116 Cb -0.31 0.52 1.84 0.00 2.00 0.00 0.00 34.13 38.17 2k4k s GLU 116 CO 0.27 -0.88 2.13 1.49 -0.56 0.00 0.00 175.26 177.70 2k4k h GLU 117 N 2.07 0.00 0.00 4.30 4.57 -2.02 -1.67 114.58 121.84 2k4k h GLU 117 Ca -0.29 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.89 2k4k h GLU 117 Cb 1.24 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 2k4k h GLU 117 CO 0.39 0.00 0.08 0.11 -1.18 0.00 0.00 179.01 178.41 2k4k h TRP 118 N 0.00 0.00 -0.18 0.92 0.09 -1.95 -1.57 115.95 113.25 2k4k h TRP 118 Ca 0.05 0.00 0.05 0.00 0.09 0.00 0.00 58.89 59.08 2k4k h TRP 118 Cb 0.41 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 29.65 2k4k h TRP 118 CO 0.00 0.00 0.32 0.97 0.09 0.00 0.00 178.44 179.82 2k4k h ILE 119 N 0.00 0.24 -0.12 0.12 2.10 -1.42 0.38 117.51 118.81 2k4k h ILE 119 Ca 0.00 0.00 0.03 0.00 1.08 0.00 0.00 64.86 65.97 2k4k h ILE 119 Cb 0.16 0.72 -0.00 0.00 -1.09 0.00 0.00 36.82 36.61 2k4k h ILE 119 CO 0.00 0.00 0.09 -0.08 -1.08 0.00 0.00 178.15 177.08 2k4k h GLU 120 N 0.00 0.00 0.00 2.19 4.81 -1.55 -3.35 114.58 116.68 2k4k h GLU 120 Ca 0.09 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2k4k h GLU 120 Cb 0.72 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.10 2k4k h GLU 120 CO -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.28 2k4k n MET 121 N -4.41 0.00 -3.97 1.92 0.00 -0.65 -5.10 117.12 104.90 2k4k n MET 121 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 57.70 57.58 2k4k n MET 121 Cb 0.21 -0.24 -0.13 0.00 0.00 0.00 0.00 33.22 33.06 2k4k n MET 121 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 2k4k s SER 122 N 0.00 0.26 0.01 3.17 0.01 0.03 -5.16 113.70 112.03 2k4k s SER 122 Ca 0.00 -0.18 -0.26 0.00 1.31 0.00 0.00 55.95 56.81 2k4k s SER 122 Cb 0.00 0.01 0.06 0.00 0.21 0.00 0.00 66.02 66.30 2k4k s SER 122 CO 0.00 -0.07 0.60 0.21 0.41 0.00 0.00 173.24 174.38 2k4k s ASN 123 N -0.50 -0.55 -0.03 2.44 3.84 -1.26 -3.97 114.94 114.91 2k4k s ASN 123 Ca -0.04 0.43 -0.08 0.00 0.21 0.00 0.00 52.86 53.38 2k4k s ASN 123 Cb -0.04 0.52 0.01 0.00 -0.55 0.00 0.00 41.25 41.19 2k4k s ASN 123 CO -0.00 -0.67 0.18 -0.60 -2.79 0.00 0.00 177.10 173.22 2k4k s ARG 124 N -1.88 0.40 0.00 0.43 3.52 -1.26 -5.06 118.95 115.10 2k4k s ARG 124 Ca -0.08 -0.11 0.00 0.00 -0.13 0.00 0.00 55.73 55.41 2k4k s ARG 124 Cb -0.01 0.18 0.00 0.00 -1.56 0.00 0.00 34.95 33.56 2k4k s ARG 124 CO 0.03 -0.09 0.86 0.36 -0.81 0.00 0.00 175.30 175.66 2k4k n LYS 125 N 2.04 0.00 -3.82 5.12 2.85 -1.26 -5.10 118.16 117.99 2k4k n LYS 125 Ca -0.19 -0.79 -0.09 0.00 -1.05 0.00 0.00 58.31 56.20 2k4k n LYS 125 Cb 0.57 -0.42 -0.07 0.00 -0.65 0.00 0.00 35.03 34.46 2k4k n LYS 125 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 2k4k s ASP 126 N -0.74 0.06 0.10 -5.58 2.15 -1.26 -5.13 116.67 106.26 2k4k s ASP 126 Ca 0.00 -0.59 -0.31 0.00 0.43 0.00 0.00 52.55 52.08 2k4k s ASP 126 Cb 0.00 0.36 -0.08 0.00 -0.30 0.00 0.00 42.92 42.90 2k4k s ASP 126 CO 0.00 -0.75 1.54 -0.76 -0.17 0.00 0.00 175.17 175.03 2k4k s LEU 127 N -2.85 4.36 0.47 -1.34 1.43 -1.26 -4.90 118.68 114.60 2k4k s LEU 127 Ca 0.05 2.44 0.16 0.00 -1.03 0.00 0.00 54.13 55.75 2k4k s LEU 127 Cb 0.04 -3.58 1.15 0.00 0.03 0.00 0.00 46.19 43.83 2k4k s LEU 127 CO -0.11 -0.80 2.03 -0.29 0.23 0.00 0.00 176.35 177.41 2k4k h ILE 128 N 4.47 0.90 0.00 -0.59 6.09 -2.00 -2.03 117.51 124.35 2k4k h ILE 128 Ca -0.42 -0.08 -0.03 0.00 -1.37 0.00 0.00 64.86 62.96 2k4k h ILE 128 Cb 1.20 0.64 -0.00 0.00 0.47 0.00 0.00 36.82 39.12 2k4k h ILE 128 CO 0.91 0.04 -0.14 0.07 -3.07 0.00 0.00 178.15 175.96 2k4k h LYS 129 N 0.24 0.00 0.00 2.19 2.10 -1.98 -3.48 116.57 115.64 2k4k h LYS 129 Ca 0.20 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.85 2k4k h LYS 129 Cb 0.47 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.80 2k4k h LYS 129 CO -0.04 0.14 0.00 1.63 -2.00 0.00 0.00 179.45 179.19