#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 1.97 1.04 3.04 0.00 -1.26 -5.04 121.76 121.51 2k4k s ALA 2 Ca 0.00 0.75 -0.12 0.00 0.00 0.00 0.00 51.96 52.59 2k4k s ALA 2 Cb 0.00 -3.45 0.22 0.00 0.00 0.00 0.00 23.12 19.89 2k4k s ALA 2 CO 0.00 -2.09 1.07 0.00 0.00 0.00 0.00 175.76 174.74 2k4k s ALA 3 N -2.23 0.46 0.49 0.00 0.00 -1.26 -4.95 121.76 114.26 2k4k s ALA 3 Ca 0.71 0.01 0.14 0.00 0.00 0.00 0.00 51.96 52.83 2k4k s ALA 3 Cb -0.26 -3.27 1.14 0.00 0.00 0.00 0.00 23.12 20.73 2k4k s ALA 3 CO 0.49 -3.23 2.09 1.57 0.00 0.00 0.00 175.76 176.68 2k4k h LYS 4 N -2.19 0.07 -6.95 0.00 2.10 -2.04 -3.43 116.57 104.13 2k4k h LYS 4 Ca -0.55 -0.01 -0.51 0.00 -2.00 0.00 0.00 60.65 57.58 2k4k h LYS 4 Cb 1.31 -0.01 0.06 0.00 -0.90 0.00 0.00 32.23 32.69 2k4k h LYS 4 CO 0.50 0.10 0.53 -0.06 -2.00 0.00 0.00 179.45 178.52 2k4k s PHE 5 N -5.00 2.98 0.01 0.07 0.08 -1.26 -5.06 117.98 109.80 2k4k s PHE 5 Ca -0.05 1.51 -0.04 0.00 0.12 0.00 0.00 56.93 58.47 2k4k s PHE 5 Cb 0.17 -3.47 -0.01 0.00 -0.57 0.00 0.00 43.02 39.13 2k4k s PHE 5 CO 0.69 -1.56 0.06 -1.21 -0.10 0.00 0.00 175.22 173.09 2k4k s GLU 6 N -2.31 0.41 0.13 0.44 2.02 -1.26 -5.00 118.70 113.13 2k4k s GLU 6 Ca 0.58 -0.51 -0.35 0.00 0.02 0.00 0.00 54.97 54.71 2k4k s GLU 6 Cb -0.33 0.16 -0.15 0.00 0.10 0.00 0.00 34.13 33.92 2k4k s GLU 6 CO 0.41 -0.09 1.51 0.28 0.02 0.00 0.00 175.26 177.39 2k4k n VAL 7 N 1.49 0.01 0.00 2.63 0.31 -1.26 -1.78 118.33 119.73 2k4k n VAL 7 Ca -0.23 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 2k4k n VAL 7 Cb 0.55 -1.31 0.00 0.00 -0.91 0.00 0.00 33.84 32.17 2k4k n VAL 7 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2k4k n GLY 8 N 3.15 1.60 3.65 2.92 0.00 -0.38 -5.03 105.19 111.10 2k4k n GLY 8 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.02 2.71 -0.03 1.61 0.01 -0.73 -4.77 113.70 110.48 2k4k s SER 9 Ca 0.00 1.69 0.00 0.00 1.31 0.00 0.00 55.95 58.95 2k4k s SER 9 Cb 0.00 -2.32 0.03 0.00 0.21 0.00 0.00 66.02 63.94 2k4k s SER 9 CO 0.00 -3.15 0.01 -0.69 0.41 0.00 0.00 173.24 169.82 2k4k s VAL 10 N -2.74 0.12 0.30 3.43 1.01 -1.26 -0.65 120.40 120.61 2k4k s VAL 10 Ca 0.65 0.14 -0.02 0.00 0.00 0.00 0.00 61.98 62.76 2k4k s VAL 10 Cb -0.21 -0.24 -0.01 0.00 0.00 0.00 0.00 36.38 35.92 2k4k s VAL 10 CO 0.59 0.14 0.37 -0.31 0.00 0.00 0.00 175.10 175.90 2k4k s TYR 11 N 1.15 1.12 0.05 5.22 2.02 -0.59 -5.00 117.35 121.32 2k4k s TYR 11 Ca -0.08 -1.30 0.07 0.00 -0.37 0.00 0.00 57.07 55.39 2k4k s TYR 11 Cb -0.13 -0.26 -0.03 0.00 -0.40 0.00 0.00 41.96 41.14 2k4k s TYR 11 CO -0.02 -0.97 -0.20 0.99 -1.57 0.00 0.00 175.55 173.78 2k4k s THR 12 N -3.47 1.59 0.38 -0.71 2.01 -1.26 -0.44 115.64 113.74 2k4k s THR 12 Ca 0.33 -1.19 -0.11 0.00 0.31 0.00 0.00 61.69 61.03 2k4k s THR 12 Cb 0.01 -1.39 0.04 0.00 0.01 0.00 0.00 72.50 71.17 2k4k s THR 12 CO 0.19 0.16 0.69 0.61 -0.69 0.00 0.00 174.62 175.58 2k4k n GLY 13 N 1.80 1.31 3.53 4.40 0.00 -0.29 -4.86 105.19 111.08 2k4k n GLY 13 Ca -0.17 -1.35 -0.34 0.00 0.00 0.00 0.00 46.02 44.16 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 -2.28 3.12 0.08 1.61 3.01 -0.64 -0.93 119.74 123.71 2k4k s LYS 14 Ca 0.19 -0.55 -0.31 0.00 -1.01 0.00 0.00 55.97 54.29 2k4k s LYS 14 Cb -0.04 -2.70 -0.07 0.00 -1.01 0.00 0.00 37.83 34.01 2k4k s LYS 14 CO 0.14 0.48 1.43 0.08 0.51 0.00 0.00 175.35 177.99 2k4k s VAL 15 N -0.31 3.35 -0.12 3.17 1.01 0.10 -1.00 120.40 126.59 2k4k s VAL 15 Ca 0.04 0.90 0.02 0.00 0.00 0.00 0.00 61.98 62.95 2k4k s VAL 15 Cb -0.13 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 2k4k s VAL 15 CO 0.02 0.04 0.20 0.35 0.00 0.00 0.00 175.10 175.72 2k4k n THR 16 N 4.21 0.00 -3.61 3.92 -2.24 0.07 -1.52 114.28 115.11 2k4k n THR 16 Ca 0.12 -0.47 -0.02 0.00 -2.27 0.00 0.00 64.05 61.42 2k4k n THR 16 Cb 0.42 1.01 -0.01 0.00 -2.10 0.00 0.00 70.33 69.65 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 -0.89 -0.35 0.10 3.38 0.00 -1.19 -4.94 107.32 103.43 2k4k s GLY 17 Ca 0.01 1.21 0.09 0.00 0.00 0.00 0.00 44.72 46.03 2k4k s GLY 17 CO 0.06 0.35 -0.23 1.08 0.00 0.00 0.00 173.10 174.36 2k4k s LEU 18 N -2.54 2.29 0.09 0.66 1.43 -1.26 -0.94 118.68 118.41 2k4k s LEU 18 Ca 0.12 -0.69 -0.05 0.00 -1.03 0.00 0.00 54.13 52.48 2k4k s LEU 18 Cb 0.02 -0.99 -0.02 0.00 0.03 0.00 0.00 46.19 45.22 2k4k s LEU 18 CO -0.04 0.11 0.11 -1.10 0.23 0.00 0.00 176.35 175.65 2k4k s GLN 19 N -1.86 0.81 0.00 1.70 -0.21 0.35 -4.98 119.66 115.46 2k4k s GLN 19 Ca 0.09 -1.12 0.03 0.00 0.02 0.00 0.00 55.36 54.37 2k4k s GLN 19 Cb -0.10 0.29 0.17 0.00 1.00 0.00 0.00 33.01 34.37 2k4k s GLN 19 CO 0.04 -0.23 0.82 0.00 -2.12 0.00 0.00 175.29 173.80 2k4k n ALA 20 N -0.02 1.46 -0.64 6.09 0.00 -1.26 -1.98 120.51 124.16 2k4k n ALA 20 Ca -0.13 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2k4k n ALA 20 Cb 0.62 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 19.02 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 -1.17 0.00 0.00 0.00 4.11 -1.26 -4.97 117.16 113.87 2k4k n TYR 21 Ca 0.02 -0.05 0.00 0.00 -0.00 0.00 0.00 57.90 57.87 2k4k n TYR 21 Cb 0.02 -0.01 0.00 0.00 -0.00 0.00 0.00 39.34 39.35 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 -0.05 -0.20 3.10 -7.48 0.00 -0.84 -1.31 105.19 98.42 2k4k n GLY 22 Ca 0.00 -1.07 -0.32 0.00 0.00 0.00 0.00 46.02 44.62 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 2.25 0.30 4.61 0.00 0.32 -0.50 121.76 126.74 2k4k s ALA 23 Ca 0.00 -1.17 -0.29 0.00 0.00 0.00 0.00 51.96 50.50 2k4k s ALA 23 Cb 0.00 -1.16 -0.10 0.00 0.00 0.00 0.00 23.12 21.86 2k4k s ALA 23 CO 0.00 -0.37 1.15 -0.06 0.00 0.00 0.00 175.76 176.49 2k4k s PHE 24 N 1.32 3.43 -0.16 0.00 0.08 -0.11 -0.80 117.98 121.74 2k4k s PHE 24 Ca 0.05 1.62 -0.02 0.00 0.12 0.00 0.00 56.93 58.70 2k4k s PHE 24 Cb -0.13 -3.39 0.05 0.00 -0.57 0.00 0.00 43.02 38.98 2k4k s PHE 24 CO -0.12 -0.90 0.01 0.08 -0.10 0.00 0.00 175.22 174.19 2k4k s VAL 25 N -1.17 0.61 0.45 -0.44 1.01 -0.33 -0.75 120.40 119.78 2k4k s VAL 25 Ca 0.46 -0.44 -0.22 0.00 0.00 0.00 0.00 61.98 61.77 2k4k s VAL 25 Cb -0.34 -0.98 -0.08 0.00 0.00 0.00 0.00 36.38 34.98 2k4k s VAL 25 CO 0.44 -0.06 1.10 0.00 0.00 0.00 0.00 175.10 176.58 2k4k s ALA 26 N 1.84 2.97 0.00 5.51 0.00 -0.17 -1.39 121.76 130.52 2k4k s ALA 26 Ca 0.00 0.78 0.00 0.00 0.00 0.00 0.00 51.96 52.74 2k4k s ALA 26 Cb -0.16 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.65 2k4k s ALA 26 CO -0.07 -0.44 0.00 1.28 0.00 0.00 0.00 175.76 176.52 2k4k n LEU 27 N -0.51 0.00 -3.70 0.00 4.77 0.08 -1.62 117.00 116.02 2k4k n LEU 27 Ca 0.07 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.95 2k4k n LEU 27 Cb 0.50 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.54 2k4k n LEU 27 CO 0.45 0.00 0.14 -0.62 -1.33 0.00 0.00 177.39 176.03 2k4k s ASP 28 N -1.91 -0.19 0.47 -1.43 2.15 -0.64 -4.94 116.67 110.18 2k4k s ASP 28 Ca 0.00 -0.42 0.22 0.00 0.43 0.00 0.00 52.55 52.78 2k4k s ASP 28 Cb 0.00 0.48 1.18 0.00 -0.30 0.00 0.00 42.92 44.28 2k4k s ASP 28 CO 0.00 -0.88 1.62 1.05 -0.17 0.00 0.00 175.17 176.79 2k4k h GLU 29 N 2.38 0.00 0.00 4.34 4.11 -2.05 -1.98 114.58 121.39 2k4k h GLU 29 Ca -0.33 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.02 2k4k h GLU 29 Cb 1.25 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.32 2k4k h GLU 29 CO 0.46 0.00 -0.70 0.39 0.07 0.00 0.00 179.01 179.23 2k4k n GLU 30 N -2.44 0.46 -3.80 1.06 1.02 -1.26 -5.05 120.64 110.63 2k4k n GLU 30 Ca -0.01 -2.10 -0.13 0.00 -0.02 0.00 0.00 57.16 54.90 2k4k n GLU 30 Cb 0.30 -0.60 -0.12 0.00 -0.02 0.00 0.00 31.44 31.01 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 -0.95 0.00 0.06 2.62 2.01 -0.74 -5.10 115.64 113.54 2k4k s THR 31 Ca 0.27 -0.03 -0.14 0.00 0.31 0.00 0.00 61.69 62.09 2k4k s THR 31 Cb 0.29 -0.33 0.02 0.00 0.01 0.00 0.00 72.50 72.49 2k4k s THR 31 CO -0.09 -0.02 0.33 -1.58 -0.69 0.00 0.00 174.62 172.57 2k4k s GLN 32 N 0.05 0.89 0.32 4.92 0.74 -1.26 -0.74 119.66 124.57 2k4k s GLN 32 Ca -0.01 -0.57 0.05 0.00 0.05 0.00 0.00 55.36 54.89 2k4k s GLN 32 Cb -0.02 0.38 -0.03 0.00 1.10 0.00 0.00 33.01 34.45 2k4k s GLN 32 CO 0.00 -0.30 0.30 0.20 -0.55 0.00 0.00 175.29 174.94 2k4k s GLY 33 N -2.28 2.13 -0.26 2.59 0.00 -0.48 -4.31 107.32 104.70 2k4k s GLY 33 Ca -0.02 -1.96 0.01 0.00 0.00 0.00 0.00 44.72 42.74 2k4k s GLY 33 CO -0.06 -1.39 -0.00 -2.27 0.00 0.00 0.00 173.10 169.38 2k4k s LEU 34 N -3.33 2.76 -0.12 0.66 2.96 -0.54 -1.19 118.68 119.88 2k4k s LEU 34 Ca 0.39 -1.39 -0.29 0.00 -0.22 0.00 0.00 54.13 52.62 2k4k s LEU 34 Cb 0.02 -1.15 -0.06 0.00 0.50 0.00 0.00 46.19 45.50 2k4k s LEU 34 CO 0.25 -0.30 1.89 -0.69 -1.32 0.00 0.00 176.35 176.19 2k4k s VAL 35 N 1.39 3.28 0.40 1.68 1.01 0.02 -1.26 120.40 126.92 2k4k s VAL 35 Ca -0.00 0.32 -0.25 0.00 0.00 0.00 0.00 61.98 62.06 2k4k s VAL 35 Cb -0.18 -3.27 -0.09 0.00 0.00 0.00 0.00 36.38 32.84 2k4k s VAL 35 CO -0.10 -0.10 1.09 -1.00 0.00 0.00 0.00 175.10 174.99 2k4k s HIS 36 N 5.65 3.21 0.26 5.22 0.09 -1.23 -0.52 115.29 127.97 2k4k s HIS 36 Ca 0.85 1.62 -0.01 0.00 -0.00 0.00 0.00 55.06 57.52 2k4k s HIS 36 Cb -0.34 -3.22 0.53 0.00 -0.00 0.00 0.00 32.58 29.55 2k4k s HIS 36 CO 0.35 -0.86 1.76 0.97 -0.00 0.00 0.00 174.74 176.96 2k4k h ILE 37 N 2.25 0.73 0.00 0.60 2.10 -1.54 -0.09 117.51 121.56 2k4k h ILE 37 Ca -0.48 -0.21 0.00 0.00 1.08 0.00 0.00 64.86 65.24 2k4k h ILE 37 Cb 1.22 0.05 0.00 0.00 -1.09 0.00 0.00 36.82 37.01 2k4k h ILE 37 CO 0.62 0.11 0.00 -1.20 -1.08 0.00 0.00 178.15 176.61 2k4k n SER 38 N -4.87 0.00 -0.58 2.19 7.64 -1.26 -1.85 113.62 114.88 2k4k n SER 38 Ca 0.17 0.45 0.06 0.00 1.01 0.00 0.00 58.87 60.55 2k4k n SER 38 Cb 0.43 -0.47 0.16 0.00 -1.01 0.00 0.00 64.21 63.32 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 -1.47 2.84 0.07 1.43 4.71 -0.06 -4.51 120.64 123.64 2k4k n GLU 39 Ca 0.03 -2.17 -0.10 0.00 -0.01 0.00 0.00 57.16 54.91 2k4k n GLU 39 Cb 0.14 -1.37 0.00 0.00 -1.01 0.00 0.00 31.44 29.21 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 1.61 1.41 -0.86 2.62 2.07 -1.27 0.31 116.25 122.15 2k4k h VAL 40 Ca 0.00 -2.34 0.00 0.00 0.82 0.00 0.00 66.70 65.18 2k4k h VAL 40 Cb 0.87 2.28 0.00 0.00 -1.52 0.00 0.00 31.29 32.92 2k4k h VAL 40 CO 0.05 0.69 0.00 1.07 0.02 0.00 0.00 177.57 179.40 2k4k n THR 41 N -3.77 0.00 -0.27 2.57 5.66 -1.26 -3.74 114.28 113.47 2k4k n THR 41 Ca -0.05 0.00 0.27 0.00 -3.05 0.00 0.00 64.05 61.22 2k4k n THR 41 Cb 0.76 0.00 0.62 0.00 -1.55 0.00 0.00 70.33 70.16 2k4k n THR 41 CO 0.00 0.00 0.00 -0.74 -3.05 0.00 0.00 175.07 171.28 2k4k h HIS 42 N 0.12 0.32 0.00 1.09 -0.00 -1.88 -3.43 115.15 111.37 2k4k h HIS 42 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 2k4k h HIS 42 Cb 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 27.41 27.32 2k4k h HIS 42 CO 0.00 0.04 0.00 0.41 -0.00 0.00 0.00 177.93 178.38 2k4k n GLY 43 N -1.61 0.40 0.88 5.26 0.00 -1.26 -5.03 105.19 103.83 2k4k n GLY 43 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.14 1.61 3.72 -1.26 -4.67 117.46 115.72 2k4k n PHE 44 Ca 0.00 -0.33 -0.27 0.00 -0.05 0.00 0.00 57.45 56.80 2k4k n PHE 44 Cb 0.00 -0.20 -0.09 0.00 -0.94 0.00 0.00 39.48 38.26 2k4k n PHE 44 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2k4k n VAL 45 N 0.44 3.65 -0.20 -4.37 0.31 -1.26 -4.65 118.33 112.25 2k4k n VAL 45 Ca 0.00 -2.06 0.21 0.00 -0.01 0.00 0.00 64.34 62.48 2k4k n VAL 45 Cb 0.39 -2.33 0.57 0.00 -0.91 0.00 0.00 33.84 31.55 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 4.27 0.28 -3.16 5.55 2.10 -1.98 -3.40 116.57 120.23 2k4k h LYS 46 Ca 0.57 -0.02 -0.17 0.00 -2.00 0.00 0.00 60.65 59.04 2k4k h LYS 46 Cb 0.77 -0.06 -0.26 0.00 -0.90 0.00 0.00 32.23 31.78 2k4k h LYS 46 CO 1.13 0.18 -0.44 0.34 -2.00 0.00 0.00 179.45 178.66 2k4k s ASP 47 N -5.74 -0.24 0.17 7.07 2.15 -1.26 -5.09 116.67 113.73 2k4k s ASP 47 Ca -0.07 0.47 -0.00 0.00 0.43 0.00 0.00 52.55 53.37 2k4k s ASP 47 Cb 0.22 0.48 0.02 0.00 -0.30 0.00 0.00 42.92 43.34 2k4k s ASP 47 CO 0.77 -0.09 1.39 -0.29 -0.17 0.00 0.00 175.17 176.79 2k4k h ILE 48 N 4.76 1.42 0.00 4.11 2.10 -1.90 -3.18 117.51 124.83 2k4k h ILE 48 Ca -0.26 -2.36 0.00 0.00 1.08 0.00 0.00 64.86 63.32 2k4k h ILE 48 Cb 1.19 2.30 0.00 0.00 -1.09 0.00 0.00 36.82 39.22 2k4k h ILE 48 CO 0.36 0.70 0.00 -0.55 -1.08 0.00 0.00 178.15 177.58 2k4k h ASN 49 N 0.20 0.00 0.51 2.19 7.08 -1.96 -0.07 115.58 123.53 2k4k h ASN 49 Ca -0.04 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.18 2k4k h ASN 49 Cb 1.42 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.66 2k4k h ASN 49 CO 0.13 0.00 0.00 -0.62 -2.08 0.00 0.00 177.43 174.86 2k4k n GLU 50 N -3.01 0.36 0.00 4.14 -0.58 -1.20 -4.18 120.64 116.16 2k4k n GLU 50 Ca -0.01 0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 2k4k n GLU 50 Cb 0.18 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.55 2k4k n GLU 50 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2k4k n HIS 51 N -1.29 0.00 -4.13 -0.32 8.25 -0.28 -3.26 115.22 114.18 2k4k n HIS 51 Ca 0.12 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.44 2k4k n HIS 51 Cb 0.21 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.27 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 -0.77 1.10 -0.12 2.41 2.96 -0.20 -4.51 118.68 119.56 2k4k s LEU 52 Ca 0.00 -1.46 -0.08 0.00 -0.22 0.00 0.00 54.13 52.37 2k4k s LEU 52 Cb 0.00 1.15 0.04 0.00 0.50 0.00 0.00 46.19 47.88 2k4k s LEU 52 CO 0.00 -1.16 0.29 -0.44 -1.32 0.00 0.00 176.35 173.72 2k4k s SER 53 N -3.23 -0.32 0.60 3.68 0.01 -1.26 -4.30 113.70 108.87 2k4k s SER 53 Ca 0.33 0.61 -0.18 0.00 1.31 0.00 0.00 55.95 58.02 2k4k s SER 53 Cb 0.01 0.55 -0.03 0.00 0.21 0.00 0.00 66.02 66.76 2k4k s SER 53 CO 0.19 -0.14 1.16 -0.69 0.41 0.00 0.00 173.24 174.17 2k4k s VAL 54 N 0.78 2.91 -0.91 3.43 1.01 -1.26 -3.68 120.40 122.68 2k4k s VAL 54 Ca -0.05 0.53 -0.05 0.00 0.00 0.00 0.00 61.98 62.40 2k4k s VAL 54 Cb -0.06 -3.16 0.01 0.00 0.00 0.00 0.00 36.38 33.16 2k4k s VAL 54 CO -0.05 -0.16 0.73 0.61 0.00 0.00 0.00 175.10 176.23 2k4k n GLY 55 N 0.19 -0.04 3.32 4.51 0.00 -0.58 -5.00 105.19 107.60 2k4k n GLY 55 Ca 0.12 -0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.15 2.59 -0.08 1.61 2.15 -1.24 -4.98 116.67 113.57 2k4k s ASP 56 Ca 0.36 -0.83 -0.16 0.00 0.43 0.00 0.00 52.55 52.35 2k4k s ASP 56 Cb -0.16 -0.15 -0.05 0.00 -0.30 0.00 0.00 42.92 42.27 2k4k s ASP 56 CO 0.45 -0.03 0.43 -0.70 -0.17 0.00 0.00 175.17 175.14 2k4k s GLU 57 N -2.65 4.19 0.01 4.34 2.12 -1.26 -0.72 118.70 124.72 2k4k s GLU 57 Ca 0.14 0.39 -0.00 0.00 0.36 0.00 0.00 54.97 55.86 2k4k s GLU 57 Cb -0.06 -3.36 -0.01 0.00 0.26 0.00 0.00 34.13 30.96 2k4k s GLU 57 CO 0.06 0.35 -0.01 0.14 -0.54 0.00 0.00 175.26 175.26 2k4k s VAL 58 N 0.02 0.03 -0.05 3.70 -7.23 -0.11 -4.98 120.40 111.79 2k4k s VAL 58 Ca 0.24 -0.25 -0.19 0.00 -1.81 0.00 0.00 61.98 59.97 2k4k s VAL 58 Cb -0.15 -0.08 -0.05 0.00 0.56 0.00 0.00 36.38 36.66 2k4k s VAL 58 CO 0.10 -0.14 0.53 -1.58 -0.31 0.00 0.00 175.10 173.70 2k4k s GLN 59 N -0.40 4.27 -0.00 4.82 0.74 -1.26 -1.14 119.66 126.69 2k4k s GLN 59 Ca -0.04 0.58 0.05 0.00 0.05 0.00 0.00 55.36 56.00 2k4k s GLN 59 Cb -0.03 -3.37 -0.01 0.00 1.10 0.00 0.00 33.01 30.70 2k4k s GLN 59 CO -0.00 0.32 -0.16 0.14 -0.55 0.00 0.00 175.29 175.04 2k4k s VAL 60 N 0.04 1.24 -0.11 1.34 -7.23 0.42 -4.75 120.40 111.35 2k4k s VAL 60 Ca 0.28 -0.75 -0.16 0.00 -1.81 0.00 0.00 61.98 59.54 2k4k s VAL 60 Cb -0.17 -1.05 -0.05 0.00 0.56 0.00 0.00 36.38 35.68 2k4k s VAL 60 CO 0.14 0.29 0.41 -0.75 -0.31 0.00 0.00 175.10 174.87 2k4k s LYS 61 N -0.54 4.23 -0.15 4.82 2.20 -0.50 -1.54 119.74 128.26 2k4k s LYS 61 Ca 0.05 0.34 -0.29 0.00 -0.36 0.00 0.00 55.97 55.71 2k4k s LYS 61 Cb -0.06 -3.39 -0.05 0.00 -1.51 0.00 0.00 37.83 32.82 2k4k s LYS 61 CO -0.00 0.29 1.86 0.08 -0.36 0.00 0.00 175.35 177.22 2k4k s VAL 62 N 0.23 3.34 -0.15 4.02 1.01 0.18 -0.88 120.40 128.15 2k4k s VAL 62 Ca 0.23 0.39 0.11 0.00 0.00 0.00 0.00 61.98 62.71 2k4k s VAL 62 Cb -0.15 -3.35 -0.23 0.00 0.00 0.00 0.00 36.38 32.65 2k4k s VAL 62 CO 0.09 -0.14 0.24 -0.11 0.00 0.00 0.00 175.10 175.18 2k4k n LEU 63 N 9.04 1.03 -3.55 3.92 7.94 0.10 -1.25 117.00 134.24 2k4k n LEU 63 Ca 0.22 0.13 -0.11 0.00 -1.11 0.00 0.00 56.01 55.14 2k4k n LEU 63 Cb 0.44 -0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.36 2k4k n LEU 63 CO 0.66 0.57 0.33 0.00 -1.11 0.00 0.00 177.39 177.84 2k4k s ALA 64 N -2.54 -1.32 0.01 1.96 0.00 -0.86 -4.85 121.76 114.17 2k4k s ALA 64 Ca -0.14 0.21 0.02 0.00 0.00 0.00 0.00 51.96 52.05 2k4k s ALA 64 Cb 0.07 0.84 -0.01 0.00 0.00 0.00 0.00 23.12 24.02 2k4k s ALA 64 CO 0.79 -0.77 -0.07 0.08 0.00 0.00 0.00 175.76 175.79 2k4k s VAL 65 N -3.79 0.51 -0.40 0.00 1.01 -1.26 -1.06 120.40 115.41 2k4k s VAL 65 Ca 0.03 -0.55 0.07 0.00 0.00 0.00 0.00 61.98 61.53 2k4k s VAL 65 Cb -0.01 -0.49 0.22 0.00 0.00 0.00 0.00 36.38 36.11 2k4k s VAL 65 CO -0.10 -0.04 0.46 -0.67 0.00 0.00 0.00 175.10 174.75 2k4k n ASP 66 N 2.42 -0.05 0.34 3.32 2.03 0.04 -4.98 116.55 119.66 2k4k n ASP 66 Ca -0.16 -2.59 0.20 0.00 0.52 0.00 0.00 54.79 52.77 2k4k n ASP 66 Cb 0.57 -0.61 1.09 0.00 -0.72 0.00 0.00 41.12 41.45 2k4k n ASP 66 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 2k4k h GLU 67 N 4.53 0.00 0.00 -0.67 4.11 -1.94 -0.11 114.58 120.50 2k4k h GLU 67 Ca 0.13 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.54 2k4k h GLU 67 Cb 0.89 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.14 2k4k h GLU 67 CO 0.43 0.00 -0.13 0.93 0.07 0.00 0.00 179.01 180.31 2k4k h GLU 68 N 0.00 0.00 0.00 1.06 4.39 -1.94 -3.08 114.58 115.00 2k4k h GLU 68 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2k4k h GLU 68 Cb 0.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 2k4k h GLU 68 CO 0.00 0.13 0.00 1.63 -1.16 0.00 0.00 179.01 179.61 2k4k n LYS 69 N -3.65 2.88 -3.29 2.33 4.76 -0.64 -5.02 118.16 115.54 2k4k n LYS 69 Ca -0.02 -0.21 -0.18 0.00 -2.87 0.00 0.00 58.31 55.03 2k4k n LYS 69 Cb 0.26 -0.69 0.06 0.00 -1.84 0.00 0.00 35.03 32.81 2k4k n LYS 69 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2k4k n GLY 70 N 0.47 -0.20 3.63 0.72 0.00 -0.15 -5.04 105.19 104.62 2k4k n GLY 70 Ca 0.00 0.03 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 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 -5.95 2.25 -0.02 1.61 1.02 -0.75 -4.98 119.74 112.92 2k4k s LYS 71 Ca 0.43 -1.38 -0.01 0.00 0.02 0.00 0.00 55.97 55.02 2k4k s LYS 71 Cb -0.19 -2.17 0.01 0.00 -0.52 0.00 0.00 37.83 34.96 2k4k s LYS 71 CO 0.53 0.38 0.04 0.42 -0.92 0.00 0.00 175.35 175.81 2k4k s ILE 72 N -2.20 -0.01 0.09 2.17 1.01 -1.26 -0.78 121.20 120.22 2k4k s ILE 72 Ca 0.30 0.04 0.05 0.00 0.00 0.00 0.00 60.65 61.04 2k4k s ILE 72 Cb -0.07 -0.08 -0.04 0.00 0.01 0.00 0.00 42.46 42.28 2k4k s ILE 72 CO 0.19 0.01 -0.02 -0.44 0.00 0.00 0.00 174.94 174.68 2k4k s SER 73 N 0.21 4.88 0.26 3.58 0.01 -0.22 -1.47 113.70 120.94 2k4k s SER 73 Ca -0.02 -0.21 0.02 0.00 1.31 0.00 0.00 55.95 57.05 2k4k s SER 73 Cb -0.02 -1.12 -0.05 0.00 0.21 0.00 0.00 66.02 65.03 2k4k s SER 73 CO -0.01 0.18 0.08 -0.76 0.41 0.00 0.00 173.24 173.15 2k4k s LEU 74 N -2.23 1.76 0.02 2.44 1.43 -0.39 -0.72 118.68 121.00 2k4k s LEU 74 Ca 0.24 -1.36 0.00 0.00 -1.03 0.00 0.00 54.13 51.99 2k4k s LEU 74 Cb -0.12 -0.05 -0.02 0.00 0.03 0.00 0.00 46.19 46.04 2k4k s LEU 74 CO 0.17 -0.69 -0.04 -0.55 0.23 0.00 0.00 176.35 175.47 2k4k s SER 75 N -3.32 0.35 0.00 2.29 0.15 -0.06 -3.50 113.70 109.61 2k4k s SER 75 Ca 0.36 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.56 2k4k s SER 75 Cb 0.08 0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.46 2k4k s SER 75 CO 0.13 -0.24 0.00 -0.38 1.20 0.00 0.00 173.24 173.95 2k4k n ILE 76 N 1.76 0.00 0.13 6.45 2.08 0.28 -1.41 119.36 128.64 2k4k n ILE 76 Ca -0.22 0.00 0.15 0.00 0.56 0.00 0.00 62.75 63.24 2k4k n ILE 76 Cb 0.56 -0.35 0.70 0.00 -0.75 0.00 0.00 39.64 39.79 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 -0.60 0.14 114.38 114.41 2k4k h ARG 77 Ca 0.00 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.04 2k4k h ARG 77 Cb 0.52 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.60 2k4k h ARG 77 CO 0.00 0.00 -0.18 0.00 0.10 0.00 0.00 179.97 179.89 2k4k h ALA 78 N 1.84 1.58 0.00 0.08 0.00 -1.82 -2.83 119.26 118.09 2k4k h ALA 78 Ca 0.13 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2k4k h ALA 78 Cb 0.56 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2k4k h ALA 78 CO -0.00 0.23 -1.49 0.25 0.00 0.00 0.00 179.25 178.24 2k4k n THR 79 N -4.14 0.01 -3.03 0.00 -2.24 0.26 -4.47 114.28 100.66 2k4k n THR 79 Ca -0.02 -0.24 -0.25 0.00 -2.27 0.00 0.00 64.05 61.26 2k4k n THR 79 Cb 0.25 0.25 -0.04 0.00 -2.10 0.00 0.00 70.33 68.69 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 -1.87 2.73 -0.72 -0.78 10.64 0.13 -5.00 117.38 122.51 2k4k n GLN 80 Ca -0.02 -4.55 -0.19 0.00 -1.83 0.00 0.00 57.00 50.41 2k4k n GLN 80 Cb 0.28 -2.12 -0.04 0.00 -0.86 0.00 0.00 30.24 27.50 2k4k n GLN 80 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2k4k n ALA 81 N -0.02 4.67 -4.04 2.61 0.00 -1.07 -4.58 120.51 118.08 2k4k n ALA 81 Ca 0.30 -1.83 -0.44 0.00 0.00 0.00 0.00 53.44 51.47 2k4k n ALA 81 Cb 0.44 -2.85 0.02 0.00 0.00 0.00 0.00 19.45 17.06 2k4k n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k4k n ALA 82 N 3.85 -2.56 0.34 0.00 0.00 -1.26 -4.88 120.51 116.00 2k4k n ALA 82 Ca 0.41 -0.53 0.14 0.00 0.00 0.00 0.00 53.44 53.46 2k4k n ALA 82 Cb 0.22 -2.72 0.59 0.00 0.00 0.00 0.00 19.45 17.54 2k4k n ALA 82 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2k4k h PRO 83 N -2.50 0.00 0.00 0.00 0.13 -1.95 -3.45 132.00 124.23 2k4k h PRO 83 Ca -0.71 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.24 2k4k h PRO 83 Cb 1.40 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.49 2k4k h PRO 83 CO 0.53 0.00 -0.17 0.39 -0.23 0.00 0.00 178.00 178.52 2k4k n GLU 84 N -2.51 0.45 -0.81 0.86 1.02 -1.26 -5.15 120.64 113.24 2k4k n GLU 84 Ca 0.01 -1.20 -0.33 0.00 -0.02 0.00 0.00 57.16 55.62 2k4k n GLU 84 Cb 0.23 0.83 0.12 0.00 -0.02 0.00 0.00 31.44 32.60 2k4k n GLU 84 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2k4k n LYS 85 N -0.27 -0.27 -1.19 3.49 4.01 -1.26 -4.95 118.16 117.71 2k4k n LYS 85 Ca 0.01 -0.03 -0.36 0.00 -0.51 0.00 0.00 58.31 57.42 2k4k n LYS 85 Cb 0.22 -1.91 0.08 0.00 -0.51 0.00 0.00 35.03 32.90 2k4k n LYS 85 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 2k4k n LYS 86 N -1.92 0.22 -2.47 1.97 -0.00 -1.26 -4.80 118.16 109.89 2k4k n LYS 86 Ca 0.07 0.12 -0.40 0.00 -0.00 0.00 0.00 58.31 58.11 2k4k n LYS 86 Cb 0.53 -1.88 -0.02 0.00 -0.00 0.00 0.00 35.03 33.66 2k4k n LYS 86 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2k4k s GLU 87 N -2.98 3.62 0.52 -1.58 0.41 -1.26 -4.79 118.70 112.64 2k4k s GLU 87 Ca 0.65 -1.66 0.23 0.00 -0.41 0.00 0.00 54.97 53.78 2k4k s GLU 87 Cb -0.32 -5.44 1.35 0.00 -1.78 0.00 0.00 34.13 27.93 2k4k s GLU 87 CO 0.59 -2.59 2.01 0.77 -0.49 0.00 0.00 175.26 175.55 2k4k h SER 88 N 8.41 0.03 -5.39 -0.19 0.02 -1.87 -3.43 113.55 111.14 2k4k h SER 88 Ca 0.36 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 61.15 2k4k h SER 88 Cb 0.91 -0.01 -0.14 0.00 0.14 0.00 0.00 62.40 63.30 2k4k h SER 88 CO 1.41 0.02 -0.57 -1.59 -1.14 0.00 0.00 176.83 174.96 2k4k s LYS 89 N -5.05 0.98 1.02 3.45 -2.85 -1.25 -4.90 119.74 111.14 2k4k s LYS 89 Ca -0.05 -1.37 -0.12 0.00 -1.00 0.00 0.00 55.97 53.42 2k4k s LYS 89 Cb 0.19 0.28 0.17 0.00 -2.06 0.00 0.00 37.83 36.41 2k4k s LYS 89 CO 0.73 -0.30 0.90 -2.30 0.10 0.00 0.00 175.35 174.48 2k4k n PRO 90 N -0.12 -1.18 0.29 1.78 -0.02 -1.20 -4.82 135.00 129.73 2k4k n PRO 90 Ca -0.06 -0.30 0.16 0.00 -2.02 0.00 0.00 63.50 61.28 2k4k n PRO 90 Cb 0.63 -2.18 0.85 0.00 -0.02 0.00 0.00 33.50 32.79 2k4k n PRO 90 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k4k h ARG 91 N -2.12 0.00 -2.68 -0.52 2.47 -1.95 -3.28 114.38 106.29 2k4k h ARG 91 Ca -0.50 0.00 -0.60 0.00 -1.26 0.00 0.00 59.98 57.62 2k4k h ARG 91 Cb 1.30 0.00 -0.39 0.00 -1.65 0.00 0.00 29.97 29.23 2k4k h ARG 91 CO 0.42 0.06 -0.82 0.21 0.56 0.00 0.00 179.97 180.40 2k4k s LYS 92 N -4.14 1.21 0.33 0.04 2.20 -1.26 -5.00 119.74 113.12 2k4k s LYS 92 Ca -0.03 -2.16 0.04 0.00 -0.36 0.00 0.00 55.97 53.46 2k4k s LYS 92 Cb 0.13 -1.98 0.65 0.00 -1.51 0.00 0.00 37.83 35.12 2k4k s LYS 92 CO 0.54 -1.28 1.92 -1.35 -0.36 0.00 0.00 175.35 174.81 2k4k h PRO 93 N 6.11 0.85 0.00 4.03 0.11 -1.86 -3.43 132.00 137.81 2k4k h PRO 93 Ca 0.14 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.20 2k4k h PRO 93 Cb 0.90 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.82 2k4k h PRO 93 CO 0.44 0.56 0.00 1.17 -0.21 0.00 0.00 178.00 179.96 2k4k n LYS 94 N -4.50 0.00 -3.95 1.05 4.81 -1.26 -4.75 118.16 109.56 2k4k n LYS 94 Ca 0.13 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.48 2k4k n LYS 94 Cb 0.26 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.26 2k4k n LYS 94 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2k4k s ALA 95 N -1.91 -0.32 -1.18 3.14 0.00 -1.26 -5.04 121.76 115.19 2k4k s ALA 95 Ca 0.00 -0.78 0.17 0.00 0.00 0.00 0.00 51.96 51.35 2k4k s ALA 95 Cb 0.00 1.01 0.79 0.00 0.00 0.00 0.00 23.12 24.92 2k4k s ALA 95 CO 0.00 -0.82 1.54 0.00 0.00 0.00 0.00 175.76 176.48 2k4k n ALA 96 N -0.35 1.85 -2.36 0.00 0.00 -1.26 -4.02 120.51 114.37 2k4k n ALA 96 Ca -0.04 -0.07 -0.14 0.00 0.00 0.00 0.00 53.44 53.20 2k4k n ALA 96 Cb 0.62 -1.28 -0.10 0.00 0.00 0.00 0.00 19.45 18.69 2k4k n ALA 96 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2k4k s GLN 97 N -2.82 0.91 -1.39 0.00 -1.52 -1.26 -4.81 119.66 108.76 2k4k s GLN 97 Ca 0.12 -1.28 -0.15 0.00 -1.95 0.00 0.00 55.36 52.10 2k4k s GLN 97 Cb 0.11 -0.51 0.14 0.00 -0.22 0.00 0.00 33.01 32.54 2k4k s GLN 97 CO 0.29 0.06 0.52 1.33 -0.25 0.00 0.00 175.29 177.25 2k4k n VAL 98 N 0.23 -0.49 -1.71 1.09 0.24 -1.26 -4.91 118.33 111.51 2k4k n VAL 98 Ca -0.14 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 61.78 2k4k n VAL 98 Cb 0.59 -1.04 0.04 0.00 -1.47 0.00 0.00 33.84 31.96 2k4k n VAL 98 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2k4k n SER 99 N -2.31 2.34 -3.60 -1.34 7.64 -1.26 -4.77 113.62 110.33 2k4k n SER 99 Ca 0.06 0.97 -0.13 0.00 1.01 0.00 0.00 58.87 60.79 2k4k n SER 99 Cb 0.49 -1.53 -0.05 0.00 -1.01 0.00 0.00 64.21 62.11 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 -2.74 1.03 0.50 1.43 2.12 -1.26 -5.02 118.70 114.76 2k4k s GLU 100 Ca 0.70 -0.40 0.29 0.00 0.36 0.00 0.00 54.97 55.93 2k4k s GLU 100 Cb -0.44 0.46 1.09 0.00 0.26 0.00 0.00 34.13 35.50 2k4k s GLU 100 CO 0.50 -0.38 1.88 0.93 -0.54 0.00 0.00 175.26 177.66 2k4k h GLU 101 N 2.69 0.00 -3.62 4.30 4.39 -1.96 -3.36 114.58 117.02 2k4k h GLU 101 Ca -0.32 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.31 2k4k h GLU 101 Cb 1.23 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 29.76 2k4k h GLU 101 CO 0.43 0.08 -0.18 0.00 -1.16 0.00 0.00 179.01 178.17 2k4k s ALA 102 N -3.60 -0.46 0.31 3.43 0.00 -1.26 -5.02 121.76 115.17 2k4k s ALA 102 Ca 0.02 -0.52 0.03 0.00 0.00 0.00 0.00 51.96 51.49 2k4k s ALA 102 Cb 0.09 0.78 -0.04 0.00 0.00 0.00 0.00 23.12 23.95 2k4k s ALA 102 CO 0.59 -0.67 0.13 -1.12 0.00 0.00 0.00 175.76 174.69 2k4k s SER 103 N -2.90 1.74 0.70 0.00 0.01 -1.26 -4.86 113.70 107.13 2k4k s SER 103 Ca 0.11 -1.52 -0.16 0.00 1.31 0.00 0.00 55.95 55.68 2k4k s SER 103 Cb 0.02 0.31 -0.02 0.00 0.21 0.00 0.00 66.02 66.54 2k4k s SER 103 CO -0.04 -0.83 0.79 0.35 0.41 0.00 0.00 173.24 173.92 2k4k n THR 104 N -0.62 2.53 0.62 1.44 -2.24 -1.26 -0.77 114.28 113.98 2k4k n THR 104 Ca -0.01 -0.40 0.11 0.00 -2.27 0.00 0.00 64.05 61.49 2k4k n THR 104 Cb 0.65 -0.96 0.45 0.00 -2.10 0.00 0.00 70.33 68.38 2k4k n THR 104 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2k4k n PRO 105 N -1.28 0.11 -4.41 -0.78 -0.04 -1.21 -4.66 135.00 122.73 2k4k n PRO 105 Ca 0.12 0.23 -0.21 0.00 -0.04 0.00 0.00 63.50 63.60 2k4k n PRO 105 Cb 0.49 -1.67 -0.10 0.00 -0.04 0.00 0.00 33.50 32.19 2k4k n PRO 105 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2k4k s GLN 106 N -3.11 1.66 0.34 0.54 -0.21 -1.26 -4.84 119.66 112.78 2k4k s GLN 106 Ca 0.09 -1.95 -0.01 0.00 0.02 0.00 0.00 55.36 53.51 2k4k s GLN 106 Cb 0.12 -0.50 0.00 0.00 1.00 0.00 0.00 33.01 33.63 2k4k s GLN 106 CO 0.43 -0.34 0.45 0.41 -2.12 0.00 0.00 175.29 174.12 2k4k n GLY 107 N -0.68 2.24 2.05 3.09 0.00 -1.26 -4.58 105.19 106.05 2k4k n GLY 107 Ca -0.02 -1.65 -0.10 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.57 0.00 0.00 1.61 3.72 -1.26 -2.88 117.46 118.08 2k4k n PHE 108 Ca 0.02 -1.30 0.00 0.00 -0.05 0.00 0.00 57.45 56.12 2k4k n PHE 108 Cb 0.58 -1.42 0.00 0.00 -0.94 0.00 0.00 39.48 37.69 2k4k n PHE 108 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 2k4k n ASN 109 N 2.54 0.00 -4.70 4.37 2.85 -1.26 -5.15 115.26 113.90 2k4k n ASN 109 Ca 0.37 0.00 -0.29 0.00 -0.11 0.00 0.00 54.58 54.54 2k4k n ASN 109 Cb 0.80 0.00 0.15 0.00 1.24 0.00 0.00 39.78 41.97 2k4k n ASN 109 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 2k4k s THR 110 N -1.00 2.45 -0.09 -0.44 -4.23 -1.14 -5.07 115.64 106.12 2k4k s THR 110 Ca 0.00 0.14 -0.03 0.00 -1.18 0.00 0.00 61.69 60.62 2k4k s THR 110 Cb 0.00 -2.64 0.05 0.00 1.34 0.00 0.00 72.50 71.25 2k4k s THR 110 CO 0.00 -0.19 0.12 -0.22 -0.54 0.00 0.00 174.62 173.80 2k4k s LEU 111 N -6.30 0.04 0.01 4.79 2.96 -1.26 -4.87 118.68 114.05 2k4k s LEU 111 Ca 0.64 0.11 -0.03 0.00 -0.22 0.00 0.00 54.13 54.63 2k4k s LEU 111 Cb -0.18 0.09 -0.01 0.00 0.50 0.00 0.00 46.19 46.59 2k4k s LEU 111 CO 0.57 -0.26 0.03 -0.54 -1.32 0.00 0.00 176.35 174.83 2k4k s LYS 112 N 2.24 0.36 0.43 1.98 1.02 -1.26 -5.05 119.74 119.46 2k4k s LYS 112 Ca 0.04 -0.52 0.21 0.00 0.02 0.00 0.00 55.97 55.72 2k4k s LYS 112 Cb -0.13 0.14 0.94 0.00 -0.52 0.00 0.00 37.83 38.27 2k4k s LYS 112 CO -0.06 -0.07 1.86 0.22 -0.92 0.00 0.00 175.35 176.38 2k4k h ASP 113 N 4.56 0.00 -5.26 2.83 3.58 -2.00 -3.46 116.42 116.66 2k4k h ASP 113 Ca -0.31 0.00 -0.40 0.00 0.42 0.00 0.00 57.03 56.74 2k4k h ASP 113 Cb 1.20 0.00 -0.14 0.00 1.72 0.00 0.00 39.33 42.12 2k4k h ASP 113 CO 0.41 0.27 -0.55 -0.54 -2.88 0.00 0.00 179.24 175.96 2k4k s LYS 114 N -3.87 1.56 0.39 0.28 1.02 -1.26 -5.05 119.74 112.81 2k4k s LYS 114 Ca -0.01 -1.89 0.10 0.00 0.02 0.00 0.00 55.97 54.20 2k4k s LYS 114 Cb 0.12 0.11 0.88 0.00 -0.52 0.00 0.00 37.83 38.42 2k4k s LYS 114 CO 0.65 -0.50 1.93 1.25 -0.92 0.00 0.00 175.35 177.76 2k4k h LEU 115 N 2.27 0.55 -7.94 3.17 5.85 -1.98 -3.41 115.31 113.82 2k4k h LEU 115 Ca -0.31 0.02 -0.15 0.00 0.84 0.00 0.00 57.88 58.28 2k4k h LEU 115 Cb 1.24 -0.09 -0.19 0.00 0.37 0.00 0.00 40.66 41.99 2k4k h LEU 115 CO 0.47 0.31 -0.61 -0.70 -0.34 0.00 0.00 178.44 177.57 2k4k s GLU 116 N -5.57 0.44 0.00 1.25 2.56 -1.26 -4.35 118.70 111.78 2k4k s GLU 116 Ca -0.09 -0.67 0.00 0.00 0.00 0.00 0.00 54.97 54.21 2k4k s GLU 116 Cb 0.21 0.17 0.00 0.00 2.00 0.00 0.00 34.13 36.50 2k4k s GLU 116 CO 0.77 -0.09 0.00 -1.91 -0.56 0.00 0.00 175.26 173.47 2k4k n GLU 117 N 1.21 1.93 -3.88 4.30 2.13 -1.26 -4.96 120.64 120.11 2k4k n GLU 117 Ca -0.21 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.49 2k4k n GLU 117 Cb 0.57 -0.16 -0.13 0.00 0.27 0.00 0.00 31.44 31.98 2k4k n GLU 117 CO 0.00 0.00 0.00 -0.46 -0.41 0.00 0.00 177.13 176.26 2k4k s TRP 118 N -0.26 0.03 -0.20 4.31 -0.00 -1.26 -5.13 118.94 116.43 2k4k s TRP 118 Ca 0.00 -0.05 -0.19 0.00 -0.00 0.00 0.00 56.10 55.86 2k4k s TRP 118 Cb 0.00 -0.03 0.05 0.00 -0.00 0.00 0.00 33.47 33.49 2k4k s TRP 118 CO 0.00 -0.06 0.54 -1.50 -0.00 0.00 0.00 176.95 175.93 2k4k s ILE 119 N -0.32 0.00 0.00 5.86 2.07 -1.26 -4.95 121.20 122.60 2k4k s ILE 119 Ca -0.04 -0.01 0.00 0.00 -1.41 0.00 0.00 60.65 59.19 2k4k s ILE 119 Cb -0.02 -0.76 0.00 0.00 0.13 0.00 0.00 42.46 41.80 2k4k s ILE 119 CO -0.00 -0.01 0.00 1.21 -1.91 0.00 0.00 174.94 174.23 2k4k n GLU 120 N 2.70 0.00 -3.53 3.50 4.07 -1.26 -5.13 120.64 120.98 2k4k n GLU 120 Ca -0.14 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 56.83 2k4k n GLU 120 Cb 0.56 -0.02 -0.04 0.00 -0.06 0.00 0.00 31.44 31.88 2k4k n GLU 120 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2k4k s MET 121 N -1.65 1.12 -1.34 5.31 0.23 -1.26 -4.98 119.30 116.72 2k4k s MET 121 Ca 0.00 -0.34 -0.10 0.00 -1.03 0.00 0.00 55.69 54.22 2k4k s MET 121 Cb 0.00 0.51 0.07 0.00 -1.53 0.00 0.00 34.83 33.88 2k4k s MET 121 CO 0.00 -0.43 0.54 0.43 -2.03 0.00 0.00 175.02 173.53 2k4k n SER 122 N 0.11 -3.95 -4.75 -1.18 7.64 -1.26 -4.90 113.62 105.34 2k4k n SER 122 Ca -0.18 -0.44 -0.34 0.00 1.01 0.00 0.00 58.87 58.93 2k4k n SER 122 Cb 0.62 -3.25 0.06 0.00 -1.01 0.00 0.00 64.21 60.63 2k4k n SER 122 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2k4k s ASN 123 N -2.78 4.76 1.15 6.43 3.04 -1.26 -5.02 114.94 121.26 2k4k s ASN 123 Ca 0.43 2.22 -0.13 0.00 0.04 0.00 0.00 52.86 55.42 2k4k s ASN 123 Cb -0.22 -2.58 0.28 0.00 -1.54 0.00 0.00 41.25 37.19 2k4k s ASN 123 CO 0.52 -1.87 1.04 -0.13 -3.04 0.00 0.00 177.10 173.62 2k4k s ARG 124 N -3.85 -0.80 0.89 0.43 0.52 -1.26 -4.99 118.95 109.89 2k4k s ARG 124 Ca 0.72 0.87 -0.12 0.00 -0.52 0.00 0.00 55.73 56.68 2k4k s ARG 124 Cb -0.26 -1.56 0.08 0.00 0.52 0.00 0.00 34.95 33.73 2k4k s ARG 124 CO 0.41 -3.66 0.87 1.63 0.02 0.00 0.00 175.30 174.58 2k4k n LYS 125 N -4.87 -0.22 0.09 3.54 4.76 0.05 -4.86 118.16 116.65 2k4k n LYS 125 Ca 0.03 -0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.45 2k4k n LYS 125 Cb 0.54 -2.18 -0.06 0.00 -1.84 0.00 0.00 35.03 31.50 2k4k n LYS 125 CO 0.00 0.00 0.00 0.22 -1.37 0.00 0.00 177.40 176.25 2k4k h ASP 126 N -1.47 0.00 -2.62 4.39 3.58 -1.94 -3.19 116.42 115.17 2k4k h ASP 126 Ca -0.44 0.00 -0.52 0.00 0.42 0.00 0.00 57.03 56.49 2k4k h ASP 126 Cb 1.29 0.00 0.05 0.00 1.72 0.00 0.00 39.33 42.38 2k4k h ASP 126 CO 0.40 0.75 1.05 -0.22 -2.88 0.00 0.00 179.24 178.34 2k4k s LEU 127 N -6.49 4.38 0.86 2.28 1.98 -1.26 -4.82 118.68 115.61 2k4k s LEU 127 Ca 0.02 2.77 -0.12 0.00 -2.89 0.00 0.00 54.13 53.90 2k4k s LEU 127 Cb 0.09 -3.58 0.09 0.00 0.66 0.00 0.00 46.19 43.45 2k4k s LEU 127 CO 0.79 -0.97 1.06 2.30 -1.89 0.00 0.00 176.35 177.63 2k4k n ILE 128 N 4.40 1.10 0.29 6.68 -5.35 -1.26 -4.05 119.36 121.16 2k4k n ILE 128 Ca 0.17 -0.15 0.17 0.00 -0.27 0.00 0.00 62.75 62.67 2k4k n ILE 128 Cb 0.37 -1.04 0.82 0.00 -1.74 0.00 0.00 39.64 38.05 2k4k n ILE 128 CO 0.00 0.00 0.00 0.07 -1.76 0.00 0.00 176.55 174.86 2k4k h LYS 129 N -1.29 0.00 0.00 6.28 2.10 -1.93 -3.47 116.57 118.26 2k4k h LYS 129 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 2k4k h LYS 129 Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 2k4k h LYS 129 CO 0.43 0.05 0.00 1.63 -2.00 0.00 0.00 179.45 179.56