#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4k h ALA 2 N 0.00 1.00 -2.74 3.04 0.00 -1.98 -3.45 119.26 115.14 2k4k h ALA 2 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.68 2k4k h ALA 2 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.67 2k4k h ALA 2 CO 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 179.25 178.83 2k4k s ALA 3 N -3.61 0.87 0.50 0.00 0.00 -1.26 -5.06 121.76 113.21 2k4k s ALA 3 Ca 0.01 -1.53 0.29 0.00 0.00 0.00 0.00 51.96 50.73 2k4k s ALA 3 Cb 0.09 1.29 1.67 0.00 0.00 0.00 0.00 23.12 26.18 2k4k s ALA 3 CO 0.45 -0.69 2.17 1.57 0.00 0.00 0.00 175.76 179.26 2k4k h LYS 4 N 2.40 0.00 -6.91 0.00 2.10 -2.04 -3.44 116.57 108.67 2k4k h LYS 4 Ca -0.31 0.00 -0.52 0.00 -2.00 0.00 0.00 60.65 57.82 2k4k h LYS 4 Cb 1.25 0.00 0.07 0.00 -0.90 0.00 0.00 32.23 32.64 2k4k h LYS 4 CO 0.45 0.06 0.60 -0.06 -2.00 0.00 0.00 179.45 178.50 2k4k s PHE 5 N -4.39 2.98 0.04 0.07 0.08 -1.26 -5.05 117.98 110.45 2k4k s PHE 5 Ca -0.04 1.44 -0.12 0.00 0.12 0.00 0.00 56.93 58.33 2k4k s PHE 5 Cb 0.14 -3.62 0.01 0.00 -0.57 0.00 0.00 43.02 38.98 2k4k s PHE 5 CO 0.56 -1.83 0.27 -2.00 -0.10 0.00 0.00 175.22 172.12 2k4k s GLU 6 N -2.03 0.77 0.14 0.44 2.56 -1.26 -4.94 118.70 114.39 2k4k s GLU 6 Ca 0.53 -0.55 -0.34 0.00 0.00 0.00 0.00 54.97 54.61 2k4k s GLU 6 Cb -0.38 0.33 -0.16 0.00 2.00 0.00 0.00 34.13 35.93 2k4k s GLU 6 CO 0.49 -0.24 1.23 1.33 -0.56 0.00 0.00 175.26 177.51 2k4k n VAL 7 N 0.61 0.58 0.00 3.70 0.24 -1.26 -1.97 118.33 120.23 2k4k n VAL 7 Ca -0.19 -0.15 0.00 0.00 -2.04 0.00 0.00 64.34 61.97 2k4k n VAL 7 Cb 0.59 -0.86 0.00 0.00 -1.47 0.00 0.00 33.84 32.11 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 2.20 2.51 3.61 7.63 0.00 -0.26 -5.02 105.19 115.86 2k4k n GLY 8 Ca 0.16 0.00 -0.29 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 -1.85 2.28 -0.03 1.61 0.01 -0.83 -4.70 113.70 110.19 2k4k s SER 9 Ca 0.00 1.69 -0.01 0.00 1.31 0.00 0.00 55.95 58.94 2k4k s SER 9 Cb 0.00 -2.33 0.03 0.00 0.21 0.00 0.00 66.02 63.93 2k4k s SER 9 CO 0.00 -3.42 0.03 -0.69 0.41 0.00 0.00 173.24 169.58 2k4k s VAL 10 N -2.67 -0.02 0.20 3.43 1.01 -1.26 -0.50 120.40 120.59 2k4k s VAL 10 Ca 0.66 0.27 0.01 0.00 0.00 0.00 0.00 61.98 62.92 2k4k s VAL 10 Cb -0.22 -0.16 -0.00 0.00 0.00 0.00 0.00 36.38 36.00 2k4k s VAL 10 CO 0.60 0.14 0.24 -1.22 0.00 0.00 0.00 175.10 174.86 2k4k n TYR 11 N 4.63 -0.80 -4.53 5.22 4.01 -0.65 -5.00 117.16 120.03 2k4k n TYR 11 Ca -0.18 -1.50 -0.27 0.00 -0.16 0.00 0.00 57.90 55.79 2k4k n TYR 11 Cb 0.50 0.26 -0.13 0.00 -0.31 0.00 0.00 39.34 39.66 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 1.98 0.30 -0.72 2.01 -1.26 -0.48 115.64 114.75 2k4k s THR 12 Ca 0.20 -1.51 -0.09 0.00 0.31 0.00 0.00 61.69 60.60 2k4k s THR 12 Cb 0.00 -1.74 0.03 0.00 0.01 0.00 0.00 72.50 70.81 2k4k s THR 12 CO 0.14 0.14 0.55 0.61 -0.69 0.00 0.00 174.62 175.37 2k4k n GLY 13 N 1.34 1.53 3.11 4.40 0.00 -0.22 -4.88 105.19 110.47 2k4k n GLY 13 Ca -0.18 -1.31 -0.26 0.00 0.00 0.00 0.00 46.02 44.28 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 -2.23 1.75 -0.03 1.61 1.02 -0.99 -0.97 119.74 119.91 2k4k s LYS 14 Ca 0.15 -0.56 -0.30 0.00 0.02 0.00 0.00 55.97 55.28 2k4k s LYS 14 Cb -0.03 -1.50 -0.05 0.00 -0.52 0.00 0.00 37.83 35.73 2k4k s LYS 14 CO 0.11 0.19 1.37 0.08 -0.92 0.00 0.00 175.35 176.19 2k4k s VAL 15 N 0.17 3.85 -0.47 3.17 1.01 0.11 -0.30 120.40 127.94 2k4k s VAL 15 Ca -0.06 1.19 0.14 0.00 0.00 0.00 0.00 61.98 63.25 2k4k s VAL 15 Cb -0.12 -3.77 -0.17 0.00 0.00 0.00 0.00 36.38 32.32 2k4k s VAL 15 CO 0.03 -0.02 0.50 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 0.06 -1.11 114.28 116.09 2k4k n THR 16 Ca 0.13 -0.22 -0.02 0.00 -2.27 0.00 0.00 64.05 61.67 2k4k n THR 16 Cb 0.44 0.77 -0.01 0.00 -2.10 0.00 0.00 70.33 69.43 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 -2.64 -0.34 0.06 3.38 0.00 -1.19 -4.91 107.32 101.67 2k4k s GLY 17 Ca 0.02 1.18 0.05 0.00 0.00 0.00 0.00 44.72 45.96 2k4k s GLY 17 CO 0.56 0.35 -0.13 1.08 0.00 0.00 0.00 173.10 174.96 2k4k s LEU 18 N -2.52 2.26 0.09 0.66 1.43 -1.26 -1.08 118.68 118.25 2k4k s LEU 18 Ca 0.11 -0.58 -0.19 0.00 -1.03 0.00 0.00 54.13 52.44 2k4k s LEU 18 Cb 0.01 -0.48 0.04 0.00 0.03 0.00 0.00 46.19 45.80 2k4k s LEU 18 CO -0.04 -0.08 0.46 -1.10 0.23 0.00 0.00 176.35 175.81 2k4k s GLN 19 N -1.63 1.05 0.64 1.70 -0.21 -0.62 -4.99 119.66 115.61 2k4k s GLN 19 Ca -0.03 -0.48 0.35 0.00 0.02 0.00 0.00 55.36 55.22 2k4k s GLN 19 Cb -0.10 0.47 1.89 0.00 1.00 0.00 0.00 33.01 36.28 2k4k s GLN 19 CO 0.02 -0.40 2.06 0.00 -2.12 0.00 0.00 175.29 174.85 2k4k h ALA 20 N 2.58 1.19 0.00 6.09 0.00 -2.02 -1.92 119.26 125.17 2k4k h ALA 20 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2k4k h ALA 20 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2k4k h ALA 20 CO 0.44 -0.19 -0.98 0.98 0.00 0.00 0.00 179.25 179.49 2k4k n TYR 21 N -2.91 0.00 0.00 0.00 9.36 -1.26 -4.86 117.16 117.50 2k4k n TYR 21 Ca -0.02 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.20 2k4k n TYR 21 Cb 0.25 -0.11 0.00 0.00 -0.63 0.00 0.00 39.34 38.85 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 1.44 0.86 3.31 2.98 0.00 -0.72 -1.16 105.19 111.91 2k4k n GLY 22 Ca 0.01 -1.22 -0.33 0.00 0.00 0.00 0.00 46.02 44.48 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 -1.98 2.55 0.31 4.61 0.00 0.24 -1.59 121.76 125.89 2k4k s ALA 23 Ca 0.00 -0.97 -0.27 0.00 0.00 0.00 0.00 51.96 50.72 2k4k s ALA 23 Cb 0.00 -1.21 -0.09 0.00 0.00 0.00 0.00 23.12 21.81 2k4k s ALA 23 CO 0.00 0.11 0.99 -0.06 0.00 0.00 0.00 175.76 176.80 2k4k s PHE 24 N 0.59 3.68 -0.05 0.00 0.08 -0.25 -0.84 117.98 121.19 2k4k s PHE 24 Ca -0.08 1.78 -0.02 0.00 0.12 0.00 0.00 56.93 58.72 2k4k s PHE 24 Cb -0.16 -3.05 0.03 0.00 -0.57 0.00 0.00 43.02 39.28 2k4k s PHE 24 CO 0.03 -0.02 0.06 0.08 -0.10 0.00 0.00 175.22 175.28 2k4k s VAL 25 N -1.42 -0.11 0.52 -0.44 1.01 -0.49 -0.76 120.40 118.70 2k4k s VAL 25 Ca 0.48 0.40 -0.23 0.00 0.00 0.00 0.00 61.98 62.63 2k4k s VAL 25 Cb -0.24 -0.18 -0.06 0.00 0.00 0.00 0.00 36.38 35.91 2k4k s VAL 25 CO 0.30 0.16 1.35 0.00 0.00 0.00 0.00 175.10 176.91 2k4k s ALA 26 N 2.17 2.92 0.00 5.51 0.00 0.59 -1.18 121.76 131.77 2k4k s ALA 26 Ca 0.05 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.32 2k4k s ALA 26 Cb -0.12 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.45 2k4k s ALA 26 CO -0.03 -1.26 0.00 1.28 0.00 0.00 0.00 175.76 175.75 2k4k n LEU 27 N -0.79 0.20 -3.56 0.00 4.77 -1.26 -2.33 117.00 114.02 2k4k n LEU 27 Ca 0.09 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.92 2k4k n LEU 27 Cb 0.45 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.48 2k4k n LEU 27 CO 0.53 -0.24 0.32 -0.62 -1.33 0.00 0.00 177.39 176.05 2k4k s ASP 28 N -4.46 -0.50 0.00 -1.43 -1.08 -1.26 -4.94 116.67 102.99 2k4k s ASP 28 Ca 0.00 0.32 0.04 0.00 -0.52 0.00 0.00 52.55 52.39 2k4k s ASP 28 Cb 0.00 0.50 0.18 0.00 -1.46 0.00 0.00 42.92 42.14 2k4k s ASP 28 CO 0.00 -0.68 1.08 -1.84 0.52 0.00 0.00 175.17 174.25 2k4k n GLU 29 N 0.57 0.02 -0.01 4.34 0.28 -1.26 -1.01 120.64 123.56 2k4k n GLU 29 Ca -0.19 0.38 0.01 0.00 -0.16 0.00 0.00 57.16 57.20 2k4k n GLU 29 Cb 0.59 -1.50 0.01 0.00 1.43 0.00 0.00 31.44 31.98 2k4k n GLU 29 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2k4k n GLU 30 N -1.44 2.51 0.00 3.44 1.02 -1.26 -4.74 120.64 120.16 2k4k n GLU 30 Ca 0.01 -1.52 0.00 0.00 -0.02 0.00 0.00 57.16 55.64 2k4k n GLU 30 Cb 0.04 -1.00 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 2k4k n GLU 30 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2k4k n THR 31 N -0.55 0.00 -0.80 2.62 -1.04 -0.26 -4.82 114.28 109.42 2k4k n THR 31 Ca 0.02 -0.06 -0.33 0.00 -2.04 0.00 0.00 64.05 61.64 2k4k n THR 31 Cb 0.32 1.59 0.12 0.00 -1.82 0.00 0.00 70.33 70.53 2k4k n THR 31 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2k4k n GLN 32 N -0.04 -0.40 -3.32 -2.82 -0.00 -0.18 -4.60 117.38 106.02 2k4k n GLN 32 Ca 0.00 -0.08 -0.11 0.00 -0.00 0.00 0.00 57.00 56.80 2k4k n GLN 32 Cb 0.15 -1.76 -0.04 0.00 -0.00 0.00 0.00 30.24 28.58 2k4k n GLN 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2k4k n GLY 33 N 1.74 3.22 2.78 2.61 0.00 -0.33 -3.86 105.19 111.36 2k4k n GLY 33 Ca 0.05 -1.76 -0.25 0.00 0.00 0.00 0.00 46.02 44.06 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 0.94 -0.26 0.99 2.96 -0.55 -1.40 118.68 121.36 2k4k s LEU 34 Ca 0.23 -0.41 -0.29 0.00 -0.22 0.00 0.00 54.13 53.44 2k4k s LEU 34 Cb 0.01 -0.58 0.01 0.00 0.50 0.00 0.00 46.19 46.13 2k4k s LEU 34 CO 0.17 -0.22 1.06 -0.69 -1.32 0.00 0.00 176.35 175.34 2k4k s VAL 35 N 1.88 4.61 0.44 1.68 1.01 -0.02 -1.21 120.40 128.78 2k4k s VAL 35 Ca 0.03 1.91 -0.23 0.00 0.00 0.00 0.00 61.98 63.69 2k4k s VAL 35 Cb -0.14 -4.35 -0.08 0.00 0.00 0.00 0.00 36.38 31.81 2k4k s VAL 35 CO -0.07 -0.29 1.11 -2.28 0.00 0.00 0.00 175.10 173.57 2k4k s HIS 36 N 3.38 3.04 0.32 5.22 2.46 -1.26 -0.59 115.29 127.87 2k4k s HIS 36 Ca 0.45 1.58 0.06 0.00 0.47 0.00 0.00 55.06 57.62 2k4k s HIS 36 Cb -0.14 -3.25 0.72 0.00 -0.13 0.00 0.00 32.58 29.78 2k4k s HIS 36 CO 0.10 -1.10 1.85 0.97 -2.47 0.00 0.00 174.74 174.09 2k4k h ILE 37 N 1.97 0.85 0.00 0.89 2.10 -1.47 0.13 117.51 121.99 2k4k h ILE 37 Ca -0.49 -0.28 0.00 0.00 1.08 0.00 0.00 64.86 65.17 2k4k h ILE 37 Cb 1.23 -0.03 0.00 0.00 -1.09 0.00 0.00 36.82 36.94 2k4k h ILE 37 CO 0.61 0.15 0.00 -1.20 -1.08 0.00 0.00 178.15 176.63 2k4k n SER 38 N -4.60 0.00 -0.02 2.19 7.64 -1.26 -1.52 113.62 116.04 2k4k n SER 38 Ca 0.19 -0.37 0.00 0.00 1.01 0.00 0.00 58.87 59.70 2k4k n SER 38 Cb 0.44 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 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 -1.05 -0.57 0.08 1.43 -0.58 0.44 -4.52 120.64 115.87 2k4k n GLU 39 Ca 0.10 -0.62 -0.15 0.00 -0.42 0.00 0.00 57.16 56.07 2k4k n GLU 39 Cb 0.06 -1.01 -0.08 0.00 -0.57 0.00 0.00 31.44 29.84 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 0.12 1.41 -3.29 2.62 2.07 -0.90 0.21 116.25 118.48 2k4k h VAL 40 Ca 0.00 -2.61 -0.05 0.00 0.82 0.00 0.00 66.70 64.86 2k4k h VAL 40 Cb 0.07 2.60 -0.13 0.00 -1.52 0.00 0.00 31.29 32.30 2k4k h VAL 40 CO 0.00 0.78 -0.03 -0.89 0.02 0.00 0.00 177.57 177.44 2k4k s THR 41 N -3.06 0.06 0.14 2.57 2.01 -1.25 -2.72 115.64 113.38 2k4k s THR 41 Ca -0.06 -0.48 0.31 0.00 0.31 0.00 0.00 61.69 61.77 2k4k s THR 41 Cb 0.08 -1.12 0.31 0.00 0.01 0.00 0.00 72.50 71.78 2k4k s THR 41 CO 0.88 -0.27 1.96 0.45 -0.69 0.00 0.00 174.62 176.95 2k4k h HIS 42 N 2.39 0.00 0.00 4.92 -0.00 -1.91 -3.43 115.15 117.12 2k4k h HIS 42 Ca -0.34 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.03 2k4k h HIS 42 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.67 2k4k h HIS 42 CO 0.32 0.00 0.00 0.41 -0.00 0.00 0.00 177.93 178.66 2k4k n GLY 43 N -1.13 0.48 1.25 2.45 0.00 -1.26 -4.98 105.19 102.00 2k4k n GLY 43 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2k4k n GLY 43 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2k4k n PHE 44 N 0.00 0.00 -1.57 1.61 -1.74 -1.26 -4.86 117.46 109.63 2k4k n PHE 44 Ca 0.00 -0.54 -0.46 0.00 -0.56 0.00 0.00 57.45 55.89 2k4k n PHE 44 Cb 0.00 -0.31 -0.04 0.00 1.52 0.00 0.00 39.48 40.65 2k4k n PHE 44 CO 0.00 0.00 0.00 0.28 -0.56 0.00 0.00 176.76 176.48 2k4k n VAL 45 N 1.03 0.36 0.23 1.97 0.31 -1.26 -4.88 118.33 116.09 2k4k n VAL 45 Ca 0.00 -0.35 -0.15 0.00 -0.01 0.00 0.00 64.34 63.83 2k4k n VAL 45 Cb 0.39 -2.24 -0.08 0.00 -0.91 0.00 0.00 33.84 30.99 2k4k n VAL 45 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2k4k h LYS 46 N 13.44 -0.50 -1.98 5.55 1.79 -1.99 -3.46 116.57 129.42 2k4k h LYS 46 Ca -0.39 0.03 -0.04 0.00 -2.18 0.00 0.00 60.65 58.07 2k4k h LYS 46 Cb 1.26 0.11 -0.20 0.00 -1.58 0.00 0.00 32.23 31.83 2k4k h LYS 46 CO 0.97 -0.33 0.17 0.34 -1.08 0.00 0.00 179.45 179.52 2k4k s ASP 47 N -4.73 -0.70 0.45 0.86 -1.08 -1.26 -5.04 116.67 105.17 2k4k s ASP 47 Ca -0.16 1.11 0.17 0.00 -0.52 0.00 0.00 52.55 53.16 2k4k s ASP 47 Cb 0.04 1.05 1.12 0.00 -1.46 0.00 0.00 42.92 43.67 2k4k s ASP 47 CO 0.64 -0.40 1.94 -0.29 0.52 0.00 0.00 175.17 177.58 2k4k h ILE 48 N 3.55 0.79 0.00 4.11 2.10 -1.91 -0.59 117.51 125.56 2k4k h ILE 48 Ca -0.28 -0.11 0.00 0.00 1.08 0.00 0.00 64.86 65.55 2k4k h ILE 48 Cb 1.15 0.43 0.00 0.00 -1.09 0.00 0.00 36.82 37.31 2k4k h ILE 48 CO 0.20 0.06 0.00 0.59 -1.08 0.00 0.00 178.15 177.92 2k4k n ASN 49 N -4.46 0.00 -0.10 2.19 3.02 -1.26 -0.88 115.26 113.77 2k4k n ASN 49 Ca 0.13 0.32 -0.15 0.00 -0.03 0.00 0.00 54.58 54.86 2k4k n ASN 49 Cb 0.53 -0.42 -0.14 0.00 -0.61 0.00 0.00 39.78 39.13 2k4k n ASN 49 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2k4k n GLU 50 N -1.42 0.67 0.07 3.52 1.02 -0.29 -4.54 120.64 119.68 2k4k n GLU 50 Ca 0.06 0.11 0.13 0.00 -0.02 0.00 0.00 57.16 57.44 2k4k n GLU 50 Cb 0.20 -1.56 0.35 0.00 -0.02 0.00 0.00 31.44 30.41 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 -3.07 0.67 -4.08 -0.32 8.25 -0.85 -0.96 115.22 114.85 2k4k n HIS 51 Ca -0.37 0.19 -0.11 0.00 -0.26 0.00 0.00 57.72 57.17 2k4k n HIS 51 Cb 1.06 -0.77 -0.07 0.00 1.12 0.00 0.00 29.99 31.33 2k4k n HIS 51 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2k4k s LEU 52 N -4.19 0.68 -0.03 2.41 1.43 -0.06 -4.78 118.68 114.14 2k4k s LEU 52 Ca 0.10 -1.14 -0.01 0.00 -1.03 0.00 0.00 54.13 52.04 2k4k s LEU 52 Cb 0.14 1.23 0.02 0.00 0.03 0.00 0.00 46.19 47.61 2k4k s LEU 52 CO 0.63 -1.04 0.06 -0.44 0.23 0.00 0.00 176.35 175.79 2k4k s SER 53 N -3.09 -0.01 0.59 2.29 0.01 -1.26 -4.30 113.70 107.93 2k4k s SER 53 Ca 0.29 0.12 -0.19 0.00 1.31 0.00 0.00 55.95 57.48 2k4k s SER 53 Cb 0.02 0.04 -0.04 0.00 0.21 0.00 0.00 66.02 66.26 2k4k s SER 53 CO 0.11 -0.09 1.22 0.54 0.41 0.00 0.00 173.24 175.43 2k4k s VAL 54 N 0.72 2.56 -1.14 3.43 0.11 -1.26 -3.60 120.40 121.22 2k4k s VAL 54 Ca -0.06 0.35 -0.02 0.00 -2.93 0.00 0.00 61.98 59.33 2k4k s VAL 54 Cb -0.08 -3.15 0.00 0.00 -1.53 0.00 0.00 36.38 31.62 2k4k s VAL 54 CO -0.03 -0.07 0.25 0.61 -3.33 0.00 0.00 175.10 172.53 2k4k n GLY 55 N 0.56 -0.18 3.40 6.54 0.00 -0.26 -4.99 105.19 110.26 2k4k n GLY 55 Ca 0.13 -0.21 -0.20 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.62 2.85 -0.16 1.61 2.15 -1.24 -4.94 116.67 114.34 2k4k s ASP 56 Ca 0.12 -1.08 -0.07 0.00 0.43 0.00 0.00 52.55 51.96 2k4k s ASP 56 Cb -0.05 -0.18 -0.04 0.00 -0.30 0.00 0.00 42.92 42.34 2k4k s ASP 56 CO 0.15 -0.18 0.08 -0.70 -0.17 0.00 0.00 175.17 174.35 2k4k s GLU 57 N -3.64 3.76 -0.03 4.34 2.12 -1.26 -0.71 118.70 123.28 2k4k s GLU 57 Ca 0.26 -0.29 -0.04 0.00 0.36 0.00 0.00 54.97 55.26 2k4k s GLU 57 Cb -0.00 -3.18 0.01 0.00 0.26 0.00 0.00 34.13 31.21 2k4k s GLU 57 CO 0.10 0.45 0.10 0.14 -0.54 0.00 0.00 175.26 175.51 2k4k s VAL 58 N -0.11 0.03 0.13 3.70 -7.23 -0.14 -4.99 120.40 111.78 2k4k s VAL 58 Ca 0.08 -0.22 -0.30 0.00 -1.81 0.00 0.00 61.98 59.73 2k4k s VAL 58 Cb -0.12 -0.22 -0.06 0.00 0.56 0.00 0.00 36.38 36.54 2k4k s VAL 58 CO 0.01 -0.12 0.97 -1.58 -0.31 0.00 0.00 175.10 174.07 2k4k s GLN 59 N -0.36 4.71 0.07 4.82 0.74 -1.26 -1.05 119.66 127.32 2k4k s GLN 59 Ca -0.04 1.48 0.07 0.00 0.05 0.00 0.00 55.36 56.92 2k4k s GLN 59 Cb -0.03 -3.36 -0.03 0.00 1.10 0.00 0.00 33.01 30.70 2k4k s GLN 59 CO 0.00 0.24 -0.19 0.14 -0.55 0.00 0.00 175.29 174.93 2k4k s VAL 60 N -0.17 1.55 -0.18 1.34 -7.23 0.36 -4.76 120.40 111.31 2k4k s VAL 60 Ca 0.46 -1.33 -0.11 0.00 -1.81 0.00 0.00 61.98 59.20 2k4k s VAL 60 Cb -0.24 -1.40 -0.05 0.00 0.56 0.00 0.00 36.38 35.25 2k4k s VAL 60 CO 0.31 0.02 0.17 -0.75 -0.31 0.00 0.00 175.10 174.53 2k4k s LYS 61 N -1.53 4.14 -0.08 4.82 2.20 -0.50 -1.64 119.74 127.14 2k4k s LYS 61 Ca 0.05 -0.14 -0.29 0.00 -0.36 0.00 0.00 55.97 55.23 2k4k s LYS 61 Cb -0.09 -3.40 -0.06 0.00 -1.51 0.00 0.00 37.83 32.77 2k4k s LYS 61 CO 0.03 0.33 1.87 0.08 -0.36 0.00 0.00 175.35 177.30 2k4k s VAL 62 N 0.25 3.28 -0.21 4.02 1.01 0.34 -0.80 120.40 128.30 2k4k s VAL 62 Ca 0.10 0.33 0.08 0.00 0.00 0.00 0.00 61.98 62.49 2k4k s VAL 62 Cb -0.12 -3.25 -0.21 0.00 0.00 0.00 0.00 36.38 32.80 2k4k s VAL 62 CO -0.00 -0.07 0.01 -0.11 0.00 0.00 0.00 175.10 174.93 2k4k n LEU 63 N 8.31 1.72 -3.68 3.92 7.94 0.12 -1.10 117.00 134.23 2k4k n LEU 63 Ca 0.21 -0.01 -0.10 0.00 -1.11 0.00 0.00 56.01 55.00 2k4k n LEU 63 Cb 0.43 -0.35 -0.03 0.00 0.53 0.00 0.00 43.42 44.00 2k4k n LEU 63 CO 0.66 0.73 0.33 0.00 -1.11 0.00 0.00 177.39 177.99 2k4k s ALA 64 N -2.52 -1.14 0.01 1.96 0.00 -0.89 -4.76 121.76 114.43 2k4k s ALA 64 Ca -0.22 -0.06 0.03 0.00 0.00 0.00 0.00 51.96 51.71 2k4k s ALA 64 Cb 0.08 0.85 -0.01 0.00 0.00 0.00 0.00 23.12 24.04 2k4k s ALA 64 CO 0.72 -0.82 -0.08 0.08 0.00 0.00 0.00 175.76 175.65 2k4k s VAL 65 N -3.85 0.64 -0.46 0.00 1.01 -1.26 -1.04 120.40 115.44 2k4k s VAL 65 Ca 0.07 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.59 2k4k s VAL 65 Cb -0.02 -0.57 0.16 0.00 0.00 0.00 0.00 36.38 35.96 2k4k s VAL 65 CO -0.04 0.07 0.34 -0.62 0.00 0.00 0.00 175.10 174.85 2k4k s ASP 66 N -0.47 2.53 0.46 3.32 -1.08 -0.13 -4.98 116.67 116.31 2k4k s ASP 66 Ca 0.01 -3.04 0.19 0.00 -0.52 0.00 0.00 52.55 49.19 2k4k s ASP 66 Cb -0.04 -0.72 1.10 0.00 -1.46 0.00 0.00 42.92 41.80 2k4k s ASP 66 CO -0.00 -0.19 1.99 -0.08 0.52 0.00 0.00 175.17 177.41 2k4k h GLU 67 N 5.92 0.00 -0.40 4.34 4.81 -1.95 0.13 114.58 127.43 2k4k h GLU 67 Ca 0.18 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.31 2k4k h GLU 67 Cb 0.89 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.26 2k4k h GLU 67 CO 0.43 0.20 -0.16 0.93 -0.73 0.00 0.00 179.01 179.68 2k4k h GLU 68 N 0.00 0.81 0.00 1.92 5.08 -1.94 -2.58 114.58 117.87 2k4k h GLU 68 Ca -0.00 -0.34 -0.06 0.00 -1.00 0.00 0.00 59.36 57.96 2k4k h GLU 68 Cb 0.39 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2k4k h GLU 68 CO 0.03 0.97 -0.28 -0.22 -1.00 0.00 0.00 179.01 178.50 2k4k h LYS 69 N 0.62 0.00 -3.63 2.33 1.63 -1.91 -3.47 116.57 112.14 2k4k h LYS 69 Ca 0.09 0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 59.70 2k4k h LYS 69 Cb 0.70 0.00 0.08 0.00 -0.60 0.00 0.00 32.23 32.41 2k4k h LYS 69 CO 0.05 0.28 -0.37 0.41 -3.45 0.00 0.00 179.45 176.38 2k4k n GLY 70 N 0.40 0.13 3.25 5.01 0.00 0.34 -5.06 105.19 109.25 2k4k n GLY 70 Ca 0.01 -0.19 -0.14 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 -5.35 1.09 -0.02 1.61 -0.14 -0.40 -4.70 119.74 111.82 2k4k s LYS 71 Ca 0.20 -1.50 0.00 0.00 -1.36 0.00 0.00 55.97 53.32 2k4k s LYS 71 Cb -0.09 -0.44 0.03 0.00 -1.68 0.00 0.00 37.83 35.65 2k4k s LYS 71 CO 0.38 -0.04 0.01 0.42 -0.76 0.00 0.00 175.35 175.36 2k4k s ILE 72 N -3.50 0.08 0.13 2.17 1.01 -1.25 -0.96 121.20 118.87 2k4k s ILE 72 Ca 0.20 0.13 -0.16 0.00 0.00 0.00 0.00 60.65 60.83 2k4k s ILE 72 Cb 0.05 -0.19 -0.07 0.00 0.01 0.00 0.00 42.46 42.26 2k4k s ILE 72 CO 0.02 0.12 0.55 -0.44 0.00 0.00 0.00 174.94 175.19 2k4k s SER 73 N 0.98 6.88 0.22 3.58 0.01 -0.21 -1.48 113.70 123.69 2k4k s SER 73 Ca -0.09 1.12 0.05 0.00 1.31 0.00 0.00 55.95 58.34 2k4k s SER 73 Cb -0.13 -2.31 -0.05 0.00 0.21 0.00 0.00 66.02 63.75 2k4k s SER 73 CO -0.02 0.15 -0.05 -0.76 0.41 0.00 0.00 173.24 172.97 2k4k s LEU 74 N -1.73 2.36 0.04 2.44 1.43 -0.35 -0.70 118.68 122.16 2k4k s LEU 74 Ca 0.35 -1.15 0.04 0.00 -1.03 0.00 0.00 54.13 52.34 2k4k s LEU 74 Cb -0.16 -0.41 -0.02 0.00 0.03 0.00 0.00 46.19 45.63 2k4k s LEU 74 CO 0.19 -0.41 -0.13 -0.55 0.23 0.00 0.00 176.35 175.69 2k4k s SER 75 N -3.31 1.49 0.00 2.29 0.15 0.02 -3.98 113.70 110.36 2k4k s SER 75 Ca 0.26 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.46 2k4k s SER 75 Cb 0.04 -0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.27 2k4k s SER 75 CO 0.08 0.00 0.00 -0.38 1.20 0.00 0.00 173.24 174.14 2k4k n ILE 76 N 1.90 0.00 0.06 6.45 2.08 0.04 -1.42 119.36 128.48 2k4k n ILE 76 Ca -0.18 0.00 0.15 0.00 0.56 0.00 0.00 62.75 63.28 2k4k n ILE 76 Cb 0.55 -0.08 0.64 0.00 -0.75 0.00 0.00 39.64 40.01 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 0.07 0.00 0.38 0.11 -0.50 0.20 114.38 114.64 2k4k h ARG 77 Ca 0.00 -0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.06 2k4k h ARG 77 Cb 0.36 -0.02 -0.00 0.00 1.11 0.00 0.00 29.97 31.42 2k4k h ARG 77 CO 0.00 0.05 -0.07 0.00 0.10 0.00 0.00 179.97 180.05 2k4k h ALA 78 N 1.80 1.36 0.00 0.08 0.00 -1.82 -3.30 119.26 117.39 2k4k h ALA 78 Ca 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2k4k h ALA 78 Cb 0.65 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2k4k h ALA 78 CO -0.01 0.08 0.00 0.25 0.00 0.00 0.00 179.25 179.57 2k4k n THR 79 N -3.69 0.15 -0.64 0.00 -2.24 0.38 -5.00 114.28 103.25 2k4k n THR 79 Ca -0.02 -0.43 -0.31 0.00 -2.27 0.00 0.00 64.05 61.02 2k4k n THR 79 Cb 0.17 1.15 0.19 0.00 -2.10 0.00 0.00 70.33 69.74 2k4k n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k4k n GLN 80 N -0.08 -1.09 0.12 -0.78 1.13 0.41 -4.94 117.38 112.15 2k4k n GLN 80 Ca 0.00 -0.27 0.00 0.00 -1.94 0.00 0.00 57.00 54.79 2k4k n GLN 80 Cb 0.13 -2.17 0.00 0.00 0.11 0.00 0.00 30.24 28.30 2k4k n GLN 80 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2k4k n ALA 81 N -4.37 3.00 -3.53 -1.58 0.00 -1.26 -5.07 120.51 107.70 2k4k n ALA 81 Ca 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.39 2k4k n ALA 81 Cb 0.54 0.06 -0.04 0.00 0.00 0.00 0.00 19.45 20.00 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 -2.00 -1.83 1.22 0.00 0.00 -1.26 -5.18 121.76 112.71 2k4k s ALA 82 Ca 0.00 1.28 -0.19 0.00 0.00 0.00 0.00 51.96 53.05 2k4k s ALA 82 Cb 0.00 -0.11 0.29 0.00 0.00 0.00 0.00 23.12 23.31 2k4k s ALA 82 CO 0.00 -0.46 1.10 -1.25 0.00 0.00 0.00 175.76 175.15 2k4k s PRO 83 N -1.84 -1.35 0.02 0.00 0.04 -1.26 -4.99 135.00 125.63 2k4k s PRO 83 Ca -0.03 -0.06 0.05 0.00 0.04 0.00 0.00 61.00 61.01 2k4k s PRO 83 Cb -0.00 -1.58 -0.02 0.00 0.04 0.00 0.00 34.50 32.94 2k4k s PRO 83 CO 0.00 -3.80 -0.16 -2.00 0.04 0.00 0.00 177.00 171.09 2k4k s GLU 84 N -5.38 1.13 -0.23 4.56 2.56 -0.14 -4.99 118.70 116.21 2k4k s GLU 84 Ca 0.71 -0.72 -0.29 0.00 0.00 0.00 0.00 54.97 54.67 2k4k s GLU 84 Cb -0.10 -1.14 -0.02 0.00 2.00 0.00 0.00 34.13 34.86 2k4k s GLU 84 CO 0.56 0.30 1.57 0.21 -0.56 0.00 0.00 175.26 177.34 2k4k s LYS 85 N -0.86 3.82 -0.19 4.30 2.47 -1.26 -4.56 119.74 123.46 2k4k s LYS 85 Ca 0.04 1.61 0.18 0.00 -1.56 0.00 0.00 55.97 56.24 2k4k s LYS 85 Cb -0.07 -4.01 0.46 0.00 -1.46 0.00 0.00 37.83 32.75 2k4k s LYS 85 CO 0.01 -1.26 1.16 1.63 0.16 0.00 0.00 175.35 177.05 2k4k n LYS 86 N 7.60 1.64 0.03 4.03 4.76 -1.26 -4.88 118.16 130.08 2k4k n LYS 86 Ca 0.18 -3.21 0.08 0.00 -2.87 0.00 0.00 58.31 52.49 2k4k n LYS 86 Cb 0.45 -1.32 0.50 0.00 -1.84 0.00 0.00 35.03 32.82 2k4k n LYS 86 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 2k4k h GLU 87 N 1.79 0.37 -3.63 1.97 4.22 -1.95 -3.45 114.58 113.91 2k4k h GLU 87 Ca -0.03 -0.02 -0.06 0.00 0.08 0.00 0.00 59.36 59.33 2k4k h GLU 87 Cb 1.45 -0.08 -0.11 0.00 0.50 0.00 0.00 28.75 30.51 2k4k h GLU 87 CO 0.25 0.25 -0.15 -1.54 -2.18 0.00 0.00 179.01 175.64 2k4k s SER 88 N -6.62 -0.10 0.59 1.04 1.04 -1.26 -5.13 113.70 103.26 2k4k s SER 88 Ca -0.07 -0.76 -0.20 0.00 0.48 0.00 0.00 55.95 55.40 2k4k s SER 88 Cb 0.18 0.52 -0.03 0.00 0.10 0.00 0.00 66.02 66.79 2k4k s SER 88 CO 0.72 -1.01 1.27 -0.54 0.98 0.00 0.00 173.24 174.65 2k4k s LYS 89 N -3.95 2.95 0.78 4.02 1.02 -1.26 -5.01 119.74 118.29 2k4k s LYS 89 Ca 0.16 1.99 -0.11 0.00 0.02 0.00 0.00 55.97 58.02 2k4k s LYS 89 Cb 0.01 -2.02 0.07 0.00 -0.52 0.00 0.00 37.83 35.37 2k4k s LYS 89 CO 0.02 -1.27 1.12 -1.25 -0.92 0.00 0.00 175.35 173.04 2k4k s PRO 90 N -3.20 2.07 -1.01 -1.68 0.04 -1.26 -3.57 135.00 126.38 2k4k s PRO 90 Ca 0.77 1.34 0.00 0.00 0.04 0.00 0.00 61.00 63.14 2k4k s PRO 90 Cb -0.35 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.33 2k4k s PRO 90 CO 0.38 -1.81 0.00 -2.13 0.04 0.00 0.00 177.00 173.48 2k4k n ARG 91 N -3.43 -2.16 -1.38 4.56 0.63 -1.26 -4.97 116.66 108.65 2k4k n ARG 91 Ca 0.10 0.57 -0.35 0.00 -0.92 0.00 0.00 57.85 57.25 2k4k n ARG 91 Cb 0.52 -5.12 0.09 0.00 0.45 0.00 0.00 32.46 28.40 2k4k n ARG 91 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 2k4k n LYS 92 N -2.67 0.57 -1.78 -0.14 2.85 -1.23 -5.00 118.16 110.75 2k4k n LYS 92 Ca -0.13 0.26 -0.35 0.00 -1.05 0.00 0.00 58.31 57.03 2k4k n LYS 92 Cb 0.58 -2.35 0.05 0.00 -0.65 0.00 0.00 35.03 32.67 2k4k n LYS 92 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 2k4k s PRO 93 N -3.53 2.68 0.14 -1.58 0.04 -1.26 -4.96 135.00 126.53 2k4k s PRO 93 Ca 0.76 1.71 -0.31 0.00 0.04 0.00 0.00 61.00 63.19 2k4k s PRO 93 Cb -0.34 -1.91 -0.10 0.00 0.04 0.00 0.00 34.50 32.20 2k4k s PRO 93 CO 0.48 -1.41 1.62 0.15 0.04 0.00 0.00 177.00 177.88 2k4k s LYS 94 N -3.67 4.20 0.04 4.56 1.02 -1.26 -4.99 119.74 119.63 2k4k s LYS 94 Ca 0.74 2.38 -0.24 0.00 0.02 0.00 0.00 55.97 58.87 2k4k s LYS 94 Cb -0.28 -3.29 0.06 0.00 -0.52 0.00 0.00 37.83 33.80 2k4k s LYS 94 CO 0.38 -0.66 0.57 0.00 -0.92 0.00 0.00 175.35 174.72 2k4k s ALA 95 N 1.64 -1.46 0.46 5.17 0.00 -1.26 -5.16 121.76 121.15 2k4k s ALA 95 Ca 0.72 0.74 -0.24 0.00 0.00 0.00 0.00 51.96 53.18 2k4k s ALA 95 Cb -0.43 0.37 -0.07 0.00 0.00 0.00 0.00 23.12 22.98 2k4k s ALA 95 CO 0.32 -0.51 1.29 0.00 0.00 0.00 0.00 175.76 176.85 2k4k s ALA 96 N -2.34 3.07 0.37 0.00 0.00 -1.26 -5.05 121.76 116.54 2k4k s ALA 96 Ca -0.06 1.19 -0.12 0.00 0.00 0.00 0.00 51.96 52.98 2k4k s ALA 96 Cb -0.01 -3.49 0.04 0.00 0.00 0.00 0.00 23.12 19.66 2k4k s ALA 96 CO -0.01 -0.95 0.69 1.14 0.00 0.00 0.00 175.76 176.64 2k4k s GLN 97 N -2.55 2.11 -0.65 0.00 -2.07 -1.26 -5.10 119.66 110.14 2k4k s GLN 97 Ca 0.63 -1.51 0.06 0.00 -1.82 0.00 0.00 55.36 52.71 2k4k s GLN 97 Cb -0.36 0.57 0.21 0.00 -1.09 0.00 0.00 33.01 32.34 2k4k s GLN 97 CO 0.45 -0.96 0.61 0.28 -1.32 0.00 0.00 175.29 174.35 2k4k n VAL 98 N -0.54 1.75 -1.03 3.63 0.31 -1.26 -5.10 118.33 116.09 2k4k n VAL 98 Ca -0.05 -4.93 -0.34 0.00 -0.01 0.00 0.00 64.34 59.01 2k4k n VAL 98 Cb 0.60 -2.11 0.12 0.00 -0.91 0.00 0.00 33.84 31.54 2k4k n VAL 98 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2k4k n SER 99 N 1.45 -0.36 -4.73 4.52 7.64 -1.26 -4.97 113.62 115.91 2k4k n SER 99 Ca 0.25 0.51 -0.42 0.00 1.01 0.00 0.00 58.87 60.22 2k4k n SER 99 Cb 0.39 -1.36 -0.02 0.00 -1.01 0.00 0.00 64.21 62.21 2k4k n SER 99 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2k4k s GLU 100 N -3.70 4.19 0.06 1.43 2.12 -1.26 -4.93 118.70 116.61 2k4k s GLU 100 Ca 0.67 2.45 0.26 0.00 0.36 0.00 0.00 54.97 58.70 2k4k s GLU 100 Cb -0.28 -3.09 0.64 0.00 0.26 0.00 0.00 34.13 31.66 2k4k s GLU 100 CO 0.57 -0.59 1.53 0.39 -0.54 0.00 0.00 175.26 176.62 2k4k n GLU 101 N 3.08 0.11 -0.49 4.30 -0.58 -1.26 -4.34 120.64 121.46 2k4k n GLU 101 Ca 0.11 0.05 -0.02 0.00 -0.42 0.00 0.00 57.16 56.88 2k4k n GLU 101 Cb 0.38 -1.59 -0.03 0.00 -0.57 0.00 0.00 31.44 29.64 2k4k n GLU 101 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2k4k n ALA 102 N -1.63 3.93 0.12 0.62 0.00 -1.26 -4.58 120.51 117.71 2k4k n ALA 102 Ca 0.05 -0.28 -0.13 0.00 0.00 0.00 0.00 53.44 53.08 2k4k n ALA 102 Cb 0.38 -1.38 -0.07 0.00 0.00 0.00 0.00 19.45 18.38 2k4k n ALA 102 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2k4k h SER 103 N 1.87 -0.24 -0.07 0.00 0.02 -1.95 -3.32 113.55 109.87 2k4k h SER 103 Ca 0.03 0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.03 2k4k h SER 103 Cb 0.91 0.07 -0.05 0.00 0.14 0.00 0.00 62.40 63.47 2k4k h SER 103 CO 0.05 -0.16 -0.24 0.74 -1.14 0.00 0.00 176.83 176.08 2k4k h THR 104 N -0.25 0.43 0.00 -2.27 2.02 -1.81 -0.63 112.91 110.40 2k4k h THR 104 Ca -0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.16 2k4k h THR 104 Cb 0.21 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 2k4k h THR 104 CO 0.02 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.10 2k4k n PRO 105 N -5.36 0.26 -0.07 6.66 -0.04 -1.25 -1.70 135.00 133.49 2k4k n PRO 105 Ca -0.04 0.06 0.02 0.00 -0.04 0.00 0.00 63.50 63.50 2k4k n PRO 105 Cb 0.28 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.27 2k4k n PRO 105 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2k4k n GLN 106 N -1.09 1.54 0.00 0.54 6.02 -0.49 -4.91 117.38 119.00 2k4k n GLN 106 Ca 0.07 -1.39 0.00 0.00 -0.01 0.00 0.00 57.00 55.66 2k4k n GLN 106 Cb 0.05 -0.91 0.00 0.00 1.02 0.00 0.00 30.24 30.40 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 -0.49 -1.83 0.01 1.08 0.00 -0.37 -4.74 105.19 98.85 2k4k n GLY 107 Ca 0.03 0.79 0.01 0.00 0.00 0.00 0.00 46.02 46.85 2k4k n GLY 107 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2k4k n PHE 108 N 0.00 0.04 0.10 1.61 3.72 -0.74 -2.86 117.46 119.33 2k4k n PHE 108 Ca 0.00 0.02 0.20 0.00 -0.05 0.00 0.00 57.45 57.62 2k4k n PHE 108 Cb 0.00 -0.53 0.74 0.00 -0.94 0.00 0.00 39.48 38.75 2k4k n PHE 108 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 2k4k h ASN 109 N 0.00 0.00 -0.65 4.37 -0.73 -1.94 -0.77 115.58 115.86 2k4k h ASN 109 Ca 0.00 0.00 0.10 0.00 1.87 0.00 0.00 56.30 58.27 2k4k h ASN 109 Cb 0.00 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 38.55 2k4k h ASN 109 CO 0.00 0.00 0.44 0.71 -0.37 0.00 0.00 177.43 178.21 2k4k h THR 110 N 0.00 0.90 -0.13 -3.57 1.35 -1.89 -3.26 112.91 106.32 2k4k h THR 110 Ca 0.19 -0.17 -0.47 0.00 -0.55 0.00 0.00 66.41 65.41 2k4k h THR 110 Cb 1.08 0.37 -0.03 0.00 -1.73 0.00 0.00 68.15 67.85 2k4k h THR 110 CO -0.00 0.09 1.87 -0.11 -0.25 0.00 0.00 175.52 177.12 2k4k n LEU 111 N -4.48 7.18 -4.72 3.87 7.94 -0.30 -4.95 117.00 121.55 2k4k n LEU 111 Ca 0.11 -3.90 -0.38 0.00 -1.11 0.00 0.00 56.01 50.72 2k4k n LEU 111 Cb 0.37 -1.47 0.05 0.00 0.53 0.00 0.00 43.42 42.89 2k4k n LEU 111 CO 0.34 1.91 0.89 0.29 -1.11 0.00 0.00 177.39 179.70 2k4k n LYS 112 N 2.89 1.51 -3.59 1.96 5.02 -1.23 -5.04 118.16 119.67 2k4k n LYS 112 Ca 0.62 0.56 -0.16 0.00 -2.02 0.00 0.00 58.31 57.31 2k4k n LYS 112 Cb 0.53 -2.48 -0.06 0.00 -0.02 0.00 0.00 35.03 32.99 2k4k n LYS 112 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2k4k s ASP 113 N -0.99 -0.50 0.01 4.39 2.15 -1.26 -5.19 116.67 115.28 2k4k s ASP 113 Ca 0.73 0.45 -0.16 0.00 0.43 0.00 0.00 52.55 54.00 2k4k s ASP 113 Cb -0.42 0.47 0.03 0.00 -0.30 0.00 0.00 42.92 42.70 2k4k s ASP 113 CO 0.48 -0.60 0.34 -0.75 -0.17 0.00 0.00 175.17 174.47 2k4k s LYS 114 N -1.51 0.76 0.03 4.34 2.20 -1.26 -5.18 119.74 119.12 2k4k s LYS 114 Ca -0.10 -0.28 -0.09 0.00 -0.36 0.00 0.00 55.97 55.13 2k4k s LYS 114 Cb -0.01 0.33 0.00 0.00 -1.51 0.00 0.00 37.83 36.64 2k4k s LYS 114 CO 0.06 -0.23 0.19 -1.17 -0.36 0.00 0.00 175.35 173.84 2k4k s LEU 115 N -1.61 1.39 0.11 5.43 2.96 -1.26 -5.06 118.68 120.64 2k4k s LEU 115 Ca -0.10 -0.30 0.15 0.00 -0.22 0.00 0.00 54.13 53.66 2k4k s LEU 115 Cb -0.03 0.90 0.68 0.00 0.50 0.00 0.00 46.19 48.23 2k4k s LEU 115 CO 0.02 -0.50 1.47 -1.84 -1.32 0.00 0.00 176.35 174.18 2k4k n GLU 116 N 0.92 0.07 -3.83 1.98 0.28 -1.26 -4.71 120.64 114.09 2k4k n GLU 116 Ca -0.20 0.39 -0.09 0.00 -0.16 0.00 0.00 57.16 57.10 2k4k n GLU 116 Cb 0.58 -1.66 -0.07 0.00 1.43 0.00 0.00 31.44 31.72 2k4k n GLU 116 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 2k4k s GLU 117 N -3.16 0.96 0.00 3.44 2.56 -1.26 -5.09 118.70 116.15 2k4k s GLU 117 Ca 0.04 -0.95 0.00 0.00 0.00 0.00 0.00 54.97 54.06 2k4k s GLU 117 Cb 0.07 0.38 0.00 0.00 2.00 0.00 0.00 34.13 36.58 2k4k s GLU 117 CO 0.24 -0.33 0.77 0.91 -0.56 0.00 0.00 175.26 176.30 2k4k n TRP 118 N -0.13 0.00 -1.65 5.30 7.02 -1.26 -4.84 117.44 121.88 2k4k n TRP 118 Ca -0.14 -0.28 -0.38 0.00 -1.02 0.00 0.00 57.50 55.69 2k4k n TRP 118 Cb 0.63 -0.03 0.05 0.00 -2.42 0.00 0.00 31.31 29.54 2k4k n TRP 118 CO 0.00 0.00 0.00 1.51 -2.02 0.00 0.00 177.69 177.18 2k4k n ILE 119 N -0.28 3.87 0.25 -0.99 3.06 -1.26 -4.91 119.36 119.10 2k4k n ILE 119 Ca 0.00 -0.50 0.11 0.00 -2.50 0.00 0.00 62.75 59.86 2k4k n ILE 119 Cb 0.35 -1.26 0.71 0.00 0.54 0.00 0.00 39.64 39.98 2k4k n ILE 119 CO 0.00 0.00 0.00 -0.08 -2.50 0.00 0.00 176.55 173.97 2k4k h GLU 120 N 0.64 0.00 0.00 9.51 4.81 -2.05 -0.26 114.58 127.24 2k4k h GLU 120 Ca -0.49 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 2k4k h GLU 120 Cb 1.35 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.73 2k4k h GLU 120 CO 0.52 0.00 0.00 -1.33 -0.73 0.00 0.00 179.01 177.47 2k4k n MET 121 N -4.35 0.18 -2.72 1.92 2.81 -1.26 -4.87 117.12 108.83 2k4k n MET 121 Ca -0.02 0.16 -0.17 0.00 -1.81 0.00 0.00 57.70 55.86 2k4k n MET 121 Cb 0.13 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.14 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 -1.31 -4.47 -1.62 7.83 7.64 -0.11 -1.60 113.62 119.98 2k4k n SER 122 Ca 0.07 -0.03 -0.10 0.00 1.01 0.00 0.00 58.87 59.81 2k4k n SER 122 Cb 0.13 -3.73 -0.03 0.00 -1.01 0.00 0.00 64.21 59.56 2k4k n SER 122 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2k4k n ASN 123 N -2.04 -2.92 0.17 6.43 5.15 -1.26 -4.86 115.26 115.93 2k4k n ASN 123 Ca -0.13 0.25 0.06 0.00 -0.60 0.00 0.00 54.58 54.16 2k4k n ASN 123 Cb 0.61 -2.74 0.54 0.00 -0.53 0.00 0.00 39.78 37.66 2k4k n ASN 123 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 2k4k h ARG 124 N 0.00 0.17 0.00 1.20 3.08 -1.70 -0.81 114.38 116.32 2k4k h ARG 124 Ca -0.22 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.78 2k4k h ARG 124 Cb 0.81 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.82 2k4k h ARG 124 CO 0.30 0.16 -0.16 -0.22 -1.07 0.00 0.00 179.97 178.99 2k4k h LYS 125 N 0.17 0.00 0.00 0.04 3.64 -1.89 -3.46 116.57 115.07 2k4k h LYS 125 Ca 0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2k4k h LYS 125 Cb 0.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 2k4k h LYS 125 CO -0.00 0.16 0.00 -3.47 -2.27 0.00 0.00 179.45 173.87 2k4k n ASP 126 N -3.93 0.00 -2.67 4.20 2.03 -0.31 -1.01 116.55 114.85 2k4k n ASP 126 Ca -0.02 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.20 2k4k n ASP 126 Cb 0.25 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.70 2k4k n ASP 126 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2k4k n LEU 127 N 0.00 0.53 -4.61 -2.67 7.94 -1.26 -5.13 117.00 111.79 2k4k n LEU 127 Ca 0.00 -3.65 -0.40 0.00 -1.11 0.00 0.00 56.01 50.85 2k4k n LEU 127 Cb 0.00 0.32 0.03 0.00 0.53 0.00 0.00 43.42 44.30 2k4k n LEU 127 CO 0.00 1.65 0.57 0.00 -1.11 0.00 0.00 177.39 178.51 2k4k n ILE 128 N -0.20 2.84 -4.06 1.96 0.13 -0.18 -5.05 119.36 114.79 2k4k n ILE 128 Ca 0.06 -0.50 -0.08 0.00 -1.10 0.00 0.00 62.75 61.13 2k4k n ILE 128 Cb 0.83 -1.17 -0.10 0.00 -0.84 0.00 0.00 39.64 38.36 2k4k n ILE 128 CO 0.00 0.00 0.00 -0.54 2.80 0.00 0.00 176.55 178.81 2k4k s LYS 129 N -2.27 0.69 0.00 9.51 1.02 -1.26 -5.18 119.74 122.25 2k4k s LYS 129 Ca 0.67 -1.21 0.00 0.00 0.02 0.00 0.00 55.97 55.46 2k4k s LYS 129 Cb -0.50 0.24 0.00 0.00 -0.52 0.00 0.00 37.83 37.05 2k4k s LYS 129 CO 0.54 -0.16 0.38 1.63 -0.92 0.00 0.00 175.35 176.82