#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4k s ALA 2 N 0.00 -0.26 0.84 3.04 0.00 -1.26 -4.83 121.76 119.29 2k4k s ALA 2 Ca 0.00 -0.78 -0.12 0.00 0.00 0.00 0.00 51.96 51.07 2k4k s ALA 2 Cb 0.00 0.97 0.10 0.00 0.00 0.00 0.00 23.12 24.19 2k4k s ALA 2 CO 0.00 -0.77 1.16 0.00 0.00 0.00 0.00 175.76 176.14 2k4k s ALA 3 N -3.98 1.79 -2.00 0.00 0.00 -1.26 -4.93 121.76 111.38 2k4k s ALA 3 Ca 0.19 0.63 0.11 0.00 0.00 0.00 0.00 51.96 52.89 2k4k s ALA 3 Cb 0.01 -3.43 0.67 0.00 0.00 0.00 0.00 23.12 20.36 2k4k s ALA 3 CO 0.04 -2.34 1.36 0.36 0.00 0.00 0.00 175.76 175.17 2k4k n LYS 4 N -3.67 0.91 -4.33 0.00 2.85 -1.26 -4.72 118.16 107.94 2k4k n LYS 4 Ca 0.12 0.00 -0.17 0.00 -1.05 0.00 0.00 58.31 57.21 2k4k n LYS 4 Cb 0.52 -1.19 -0.10 0.00 -0.65 0.00 0.00 35.03 33.60 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 -2.00 1.57 0.09 5.58 0.40 -1.26 -5.18 117.98 117.18 2k4k s PHE 5 Ca 0.17 -0.75 -0.03 0.00 -0.60 0.00 0.00 56.93 55.72 2k4k s PHE 5 Cb 0.08 -0.83 -0.03 0.00 0.51 0.00 0.00 43.02 42.74 2k4k s PHE 5 CO 0.13 0.15 0.06 -1.21 0.70 0.00 0.00 175.22 175.04 2k4k s GLU 6 N -3.75 0.78 0.18 0.44 0.41 -1.26 -5.01 118.70 110.49 2k4k s GLU 6 Ca 0.24 -1.24 -0.33 0.00 -0.41 0.00 0.00 54.97 53.23 2k4k s GLU 6 Cb 0.03 0.25 -0.14 0.00 -1.78 0.00 0.00 34.13 32.49 2k4k s GLU 6 CO 0.06 -0.20 1.39 0.28 -0.49 0.00 0.00 175.26 176.30 2k4k n VAL 7 N -0.00 0.55 0.00 2.63 0.31 -1.26 -1.85 118.33 118.71 2k4k n VAL 7 Ca -0.11 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 2k4k n VAL 7 Cb 0.62 -1.26 0.00 0.00 -0.91 0.00 0.00 33.84 32.29 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 2.51 2.94 3.72 2.92 0.00 -0.85 -4.99 105.19 111.43 2k4k n GLY 8 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.29 3.70 -0.04 1.61 0.01 -0.77 -4.78 113.70 112.16 2k4k s SER 9 Ca 0.00 2.08 0.05 0.00 1.31 0.00 0.00 55.95 59.39 2k4k s SER 9 Cb 0.00 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.65 2k4k s SER 9 CO 0.00 -2.58 -0.16 -0.69 0.41 0.00 0.00 173.24 170.22 2k4k s VAL 10 N -2.64 2.90 0.31 3.43 1.01 -1.26 -0.71 120.40 123.43 2k4k s VAL 10 Ca 0.66 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.83 2k4k s VAL 10 Cb -0.22 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 2k4k s VAL 10 CO 0.55 0.57 0.34 -0.47 0.00 0.00 0.00 175.10 176.08 2k4k s TYR 11 N -0.73 1.34 0.02 5.22 5.04 -0.05 -4.98 117.35 123.21 2k4k s TYR 11 Ca 0.12 -1.43 0.02 0.00 -2.44 0.00 0.00 57.07 53.33 2k4k s TYR 11 Cb -0.10 -0.41 -0.02 0.00 0.35 0.00 0.00 41.96 41.78 2k4k s TYR 11 CO 0.01 -0.94 -0.06 0.99 -1.34 0.00 0.00 175.55 174.21 2k4k s THR 12 N -3.45 0.41 0.10 4.34 2.01 -1.26 -0.53 115.64 117.26 2k4k s THR 12 Ca 0.36 -0.72 -0.04 0.00 0.31 0.00 0.00 61.69 61.59 2k4k s THR 12 Cb 0.02 -0.45 0.02 0.00 0.01 0.00 0.00 72.50 72.10 2k4k s THR 12 CO 0.21 -0.22 0.23 0.61 -0.69 0.00 0.00 174.62 174.77 2k4k n GLY 13 N 2.05 1.64 2.99 4.40 0.00 0.01 -4.68 105.19 111.59 2k4k n GLY 13 Ca -0.19 -1.07 -0.26 0.00 0.00 0.00 0.00 46.02 44.50 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 -2.02 1.74 0.10 1.61 2.36 0.14 -0.79 119.74 122.87 2k4k s LYS 14 Ca 0.05 -0.39 -0.31 0.00 -2.55 0.00 0.00 55.97 52.77 2k4k s LYS 14 Cb -0.01 -1.56 -0.08 0.00 -1.05 0.00 0.00 37.83 35.12 2k4k s LYS 14 CO 0.03 -0.10 1.55 0.08 1.55 0.00 0.00 175.35 178.46 2k4k s VAL 15 N 1.10 3.05 -0.38 4.02 1.01 0.15 -1.59 120.40 127.76 2k4k s VAL 15 Ca -0.06 0.63 0.11 0.00 0.00 0.00 0.00 61.98 62.66 2k4k s VAL 15 Cb -0.14 -3.40 -0.13 0.00 0.00 0.00 0.00 36.38 32.70 2k4k s VAL 15 CO -0.02 0.02 0.39 0.35 0.00 0.00 0.00 175.10 175.85 2k4k n THR 16 N 4.35 0.00 -3.61 3.92 -2.24 0.11 -1.98 114.28 114.83 2k4k n THR 16 Ca 0.14 -0.25 0.01 0.00 -2.27 0.00 0.00 64.05 61.68 2k4k n THR 16 Cb 0.41 0.81 -0.01 0.00 -2.10 0.00 0.00 70.33 69.45 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 -2.30 -0.41 0.05 3.38 0.00 -1.19 -4.94 107.32 101.92 2k4k s GLY 17 Ca 0.02 0.78 0.04 0.00 0.00 0.00 0.00 44.72 45.56 2k4k s GLY 17 CO 0.44 0.15 -0.11 1.08 0.00 0.00 0.00 173.10 174.66 2k4k s LEU 18 N -2.92 2.24 0.14 0.66 1.43 -1.26 -1.22 118.68 117.74 2k4k s LEU 18 Ca 0.14 -0.53 -0.08 0.00 -1.03 0.00 0.00 54.13 52.62 2k4k s LEU 18 Cb 0.05 -0.38 -0.01 0.00 0.03 0.00 0.00 46.19 45.87 2k4k s LEU 18 CO -0.04 -0.10 0.23 -1.10 0.23 0.00 0.00 176.35 175.57 2k4k s GLN 19 N -1.49 1.03 0.00 1.70 -0.21 0.46 -4.99 119.66 116.16 2k4k s GLN 19 Ca -0.04 -1.13 0.04 0.00 0.02 0.00 0.00 55.36 54.24 2k4k s GLN 19 Cb -0.09 0.35 0.19 0.00 1.00 0.00 0.00 33.01 34.46 2k4k s GLN 19 CO 0.01 -0.35 0.91 0.00 -2.12 0.00 0.00 175.29 173.73 2k4k n ALA 20 N -0.15 1.40 -0.38 6.09 0.00 -1.26 -1.98 120.51 124.22 2k4k n ALA 20 Ca -0.10 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2k4k n ALA 20 Cb 0.63 -1.06 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 -1.25 0.00 0.00 0.00 4.11 -1.26 -4.94 117.16 113.82 2k4k n TYR 21 Ca 0.02 -0.02 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 2k4k n TYR 21 Cb 0.03 -0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.36 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 -0.02 -0.91 2.99 -7.48 0.00 -0.84 -1.00 105.19 97.93 2k4k n GLY 22 Ca 0.00 -1.17 -0.29 0.00 0.00 0.00 0.00 46.02 44.56 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 1.67 0.36 4.61 0.00 0.25 -0.41 121.76 126.24 2k4k s ALA 23 Ca 0.00 -0.76 -0.26 0.00 0.00 0.00 0.00 51.96 50.94 2k4k s ALA 23 Cb 0.00 -0.97 -0.09 0.00 0.00 0.00 0.00 23.12 22.06 2k4k s ALA 23 CO 0.00 -0.33 1.07 -0.06 0.00 0.00 0.00 175.76 176.44 2k4k s PHE 24 N 1.45 3.35 -0.11 0.00 0.08 -0.35 -0.89 117.98 121.51 2k4k s PHE 24 Ca 0.03 1.66 -0.03 0.00 0.12 0.00 0.00 56.93 58.70 2k4k s PHE 24 Cb -0.13 -3.20 0.04 0.00 -0.57 0.00 0.00 43.02 39.17 2k4k s PHE 24 CO -0.08 -0.65 0.07 0.08 -0.10 0.00 0.00 175.22 174.53 2k4k s VAL 25 N -1.48 -0.04 0.31 -0.44 1.01 -0.33 -0.71 120.40 118.73 2k4k s VAL 25 Ca 0.53 0.10 -0.28 0.00 0.00 0.00 0.00 61.98 62.33 2k4k s VAL 25 Cb -0.26 -0.41 -0.09 0.00 0.00 0.00 0.00 36.38 35.62 2k4k s VAL 25 CO 0.33 -0.04 1.14 0.00 0.00 0.00 0.00 175.10 176.52 2k4k s ALA 26 N 2.13 3.36 0.00 5.51 0.00 -0.62 -1.02 121.76 131.12 2k4k s ALA 26 Ca 0.03 0.95 0.00 0.00 0.00 0.00 0.00 51.96 52.94 2k4k s ALA 26 Cb -0.14 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.63 2k4k s ALA 26 CO -0.06 -0.29 0.00 1.28 0.00 0.00 0.00 175.76 176.69 2k4k n LEU 27 N 0.87 0.43 -3.68 0.00 4.77 -0.10 -0.68 117.00 118.60 2k4k n LEU 27 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 2k4k n LEU 27 Cb 0.45 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.52 2k4k n LEU 27 CO 0.54 0.07 0.44 -0.62 -1.33 0.00 0.00 177.39 176.49 2k4k s ASP 28 N -2.84 -0.39 0.54 -1.43 2.15 -0.37 -4.78 116.67 109.55 2k4k s ASP 28 Ca 0.00 -0.36 0.28 0.00 0.43 0.00 0.00 52.55 52.90 2k4k s ASP 28 Cb 0.00 0.68 1.53 0.00 -0.30 0.00 0.00 42.92 44.83 2k4k s ASP 28 CO 0.00 -1.19 1.84 1.05 -0.17 0.00 0.00 175.17 176.70 2k4k h GLU 29 N 2.00 0.00 0.00 4.34 4.11 -2.04 -2.04 114.58 120.96 2k4k h GLU 29 Ca -0.25 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.13 2k4k h GLU 29 Cb 1.27 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.41 2k4k h GLU 29 CO 0.29 0.00 -0.56 0.39 0.07 0.00 0.00 179.01 179.20 2k4k n GLU 30 N -2.65 0.56 -3.77 1.06 1.02 -1.26 -5.04 120.64 110.56 2k4k n GLU 30 Ca -0.02 -2.06 -0.13 0.00 -0.02 0.00 0.00 57.16 54.94 2k4k n GLU 30 Cb 0.25 -0.77 -0.13 0.00 -0.02 0.00 0.00 31.44 30.77 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 -1.20 -0.02 -0.00 2.62 2.01 -0.77 -4.99 115.64 113.28 2k4k s THR 31 Ca 0.24 0.07 -0.24 0.00 0.31 0.00 0.00 61.69 62.07 2k4k s THR 31 Cb 0.24 -0.32 0.05 0.00 0.01 0.00 0.00 72.50 72.48 2k4k s THR 31 CO -0.06 0.03 0.53 -1.58 -0.69 0.00 0.00 174.62 172.85 2k4k s GLN 32 N 0.62 0.96 0.08 4.92 -0.44 -1.26 -0.93 119.66 123.61 2k4k s GLN 32 Ca -0.04 -0.04 -0.02 0.00 -2.50 0.00 0.00 55.36 52.76 2k4k s GLN 32 Cb -0.06 0.44 0.01 0.00 -1.64 0.00 0.00 33.01 31.76 2k4k s GLN 32 CO -0.03 -0.31 0.13 0.41 0.50 0.00 0.00 175.29 175.99 2k4k n GLY 33 N 0.80 2.45 2.72 2.59 0.00 -0.19 -4.15 105.19 109.40 2k4k n GLY 33 Ca -0.19 -1.28 -0.28 0.00 0.00 0.00 0.00 46.02 44.27 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 1.12 -0.12 0.99 2.96 0.03 -1.19 118.68 122.47 2k4k s LEU 34 Ca 0.05 -0.81 -0.29 0.00 -0.22 0.00 0.00 54.13 52.86 2k4k s LEU 34 Cb -0.01 -0.57 -0.03 0.00 0.50 0.00 0.00 46.19 46.08 2k4k s LEU 34 CO 0.04 -0.31 1.47 -0.69 -1.32 0.00 0.00 176.35 175.54 2k4k s VAL 35 N 1.88 3.91 0.44 1.68 1.01 -0.07 -1.01 120.40 128.23 2k4k s VAL 35 Ca -0.01 1.09 -0.22 0.00 0.00 0.00 0.00 61.98 62.84 2k4k s VAL 35 Cb -0.17 -3.72 -0.09 0.00 0.00 0.00 0.00 36.38 32.40 2k4k s VAL 35 CO -0.08 -0.11 1.06 -1.00 0.00 0.00 0.00 175.10 174.96 2k4k s HIS 36 N 3.87 3.13 0.36 5.22 0.09 -1.24 -0.58 115.29 126.14 2k4k s HIS 36 Ca 0.65 1.61 0.07 0.00 -0.00 0.00 0.00 55.06 57.39 2k4k s HIS 36 Cb -0.27 -3.13 0.78 0.00 -0.00 0.00 0.00 32.58 29.96 2k4k s HIS 36 CO 0.23 -0.78 1.93 0.97 -0.00 0.00 0.00 174.74 177.08 2k4k h ILE 37 N 1.92 0.95 0.00 0.60 2.10 -1.41 0.42 117.51 122.08 2k4k h ILE 37 Ca -0.49 -0.25 0.00 0.00 1.08 0.00 0.00 64.86 65.20 2k4k h ILE 37 Cb 1.22 0.17 0.00 0.00 -1.09 0.00 0.00 36.82 37.12 2k4k h ILE 37 CO 0.61 0.13 0.00 -1.20 -1.08 0.00 0.00 178.15 176.61 2k4k n SER 38 N -4.50 0.00 -0.01 2.19 7.64 -1.26 -1.89 113.62 115.78 2k4k n SER 38 Ca 0.13 0.05 0.00 0.00 1.01 0.00 0.00 58.87 60.06 2k4k n SER 38 Cb 0.32 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 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 -1.23 -0.23 0.08 1.43 -0.58 0.13 -4.64 120.64 115.60 2k4k n GLU 39 Ca 0.05 -0.70 -0.10 0.00 -0.42 0.00 0.00 57.16 55.99 2k4k n GLU 39 Cb 0.07 -1.00 -0.05 0.00 -0.57 0.00 0.00 31.44 29.89 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 0.03 1.51 -3.28 2.62 2.07 -1.27 0.20 116.25 118.13 2k4k h VAL 40 Ca 0.00 -2.79 -0.08 0.00 0.82 0.00 0.00 66.70 64.66 2k4k h VAL 40 Cb 0.10 2.60 -0.16 0.00 -1.52 0.00 0.00 31.29 32.32 2k4k h VAL 40 CO 0.00 0.81 -0.17 0.28 0.02 0.00 0.00 177.57 178.51 2k4k s THR 41 N -3.04 0.08 -0.59 2.57 -1.32 -1.26 -3.69 115.64 108.39 2k4k s THR 41 Ca -0.03 -0.63 0.26 0.00 -1.21 0.00 0.00 61.69 60.08 2k4k s THR 41 Cb 0.09 -1.03 0.30 0.00 -1.51 0.00 0.00 72.50 70.35 2k4k s THR 41 CO 0.84 -0.35 1.75 1.12 -2.21 0.00 0.00 174.62 175.77 2k4k h HIS 42 N 2.92 0.00 -3.82 9.09 2.07 -1.89 -3.46 115.15 120.06 2k4k h HIS 42 Ca -0.32 0.00 -0.43 0.00 -2.85 0.00 0.00 60.37 56.76 2k4k h HIS 42 Cb 1.21 0.00 0.17 0.00 2.57 0.00 0.00 27.41 31.37 2k4k h HIS 42 CO 0.41 0.00 0.31 0.20 -3.07 0.00 0.00 177.93 175.77 2k4k s GLY 43 N -3.74 1.70 -0.51 6.13 0.00 -1.26 -4.96 107.32 104.68 2k4k s GLY 43 Ca 0.08 -1.10 -0.27 0.00 0.00 0.00 0.00 44.72 43.44 2k4k s GLY 43 CO 0.58 -0.28 2.07 -1.36 0.00 0.00 0.00 173.10 174.10 2k4k s PHE 44 N -3.53 1.44 -0.54 1.90 0.08 -1.26 -4.92 117.98 111.15 2k4k s PHE 44 Ca 0.73 1.03 -0.26 0.00 0.12 0.00 0.00 56.93 58.54 2k4k s PHE 44 Cb -0.06 -3.91 -0.04 0.00 -0.57 0.00 0.00 43.02 38.44 2k4k s PHE 44 CO 0.54 -2.58 2.09 0.54 -0.10 0.00 0.00 175.22 175.71 2k4k s VAL 45 N 9.84 3.21 0.03 -0.44 0.11 -1.26 -4.87 120.40 127.02 2k4k s VAL 45 Ca 0.82 0.13 -0.23 0.00 -2.93 0.00 0.00 61.98 59.76 2k4k s VAL 45 Cb -0.17 -3.54 -0.16 0.00 -1.53 0.00 0.00 36.38 30.99 2k4k s VAL 45 CO 0.25 -0.51 1.45 0.11 -3.33 0.00 0.00 175.10 173.07 2k4k h LYS 46 N 16.78 0.11 -2.17 1.54 1.79 -1.97 -3.45 116.57 129.20 2k4k h LYS 46 Ca -0.26 -0.04 -0.06 0.00 -2.18 0.00 0.00 60.65 58.11 2k4k h LYS 46 Cb 1.21 -0.01 -0.20 0.00 -1.58 0.00 0.00 32.23 31.64 2k4k h LYS 46 CO 1.18 0.40 0.08 0.34 -1.08 0.00 0.00 179.45 180.37 2k4k s ASP 47 N -5.63 -0.63 0.37 0.86 -1.08 -1.26 -5.07 116.67 104.23 2k4k s ASP 47 Ca -0.15 0.98 0.09 0.00 -0.52 0.00 0.00 52.55 52.96 2k4k s ASP 47 Cb 0.04 0.94 0.84 0.00 -1.46 0.00 0.00 42.92 43.28 2k4k s ASP 47 CO 0.69 -0.40 1.90 -0.29 0.52 0.00 0.00 175.17 177.59 2k4k h ILE 48 N 3.65 0.87 0.00 4.11 2.10 -1.89 -0.93 117.51 125.43 2k4k h ILE 48 Ca -0.28 -0.22 0.00 0.00 1.08 0.00 0.00 64.86 65.43 2k4k h ILE 48 Cb 1.16 0.16 0.00 0.00 -1.09 0.00 0.00 36.82 37.04 2k4k h ILE 48 CO 0.24 0.12 0.00 -0.55 -1.08 0.00 0.00 178.15 176.88 2k4k h ASN 49 N 0.66 0.00 1.12 2.19 7.08 -1.96 0.06 115.58 124.73 2k4k h ASN 49 Ca 0.40 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.62 2k4k h ASN 49 Cb 0.64 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.88 2k4k h ASN 49 CO -0.17 0.00 -0.03 -0.62 -2.08 0.00 0.00 177.43 174.53 2k4k n GLU 50 N -2.84 0.08 0.00 4.14 -0.58 -0.35 -4.23 120.64 116.87 2k4k n GLU 50 Ca -0.01 0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.79 2k4k n GLU 50 Cb 0.15 -1.59 0.00 0.00 -0.57 0.00 0.00 31.44 29.43 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 -1.73 0.00 -4.11 -0.32 8.25 -0.67 -5.03 115.22 111.61 2k4k n HIS 51 Ca 0.06 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.39 2k4k n HIS 51 Cb 0.37 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.42 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 -0.76 1.01 -0.09 2.41 2.96 -0.08 -4.95 118.68 119.18 2k4k s LEU 52 Ca 0.00 -1.41 -0.06 0.00 -0.22 0.00 0.00 54.13 52.44 2k4k s LEU 52 Cb 0.00 1.24 0.03 0.00 0.50 0.00 0.00 46.19 47.96 2k4k s LEU 52 CO 0.00 -1.17 0.22 -0.44 -1.32 0.00 0.00 176.35 173.64 2k4k s SER 53 N -3.21 -0.23 0.66 3.68 0.01 -1.26 -4.21 113.70 109.15 2k4k s SER 53 Ca 0.32 0.46 -0.16 0.00 1.31 0.00 0.00 55.95 57.87 2k4k s SER 53 Cb 0.01 0.39 0.00 0.00 0.21 0.00 0.00 66.02 66.64 2k4k s SER 53 CO 0.18 -0.12 1.16 0.54 0.41 0.00 0.00 173.24 175.41 2k4k s VAL 54 N 0.74 2.84 -1.07 3.43 0.11 -1.26 -3.91 120.40 121.28 2k4k s VAL 54 Ca -0.05 0.43 -0.01 0.00 -2.93 0.00 0.00 61.98 59.42 2k4k s VAL 54 Cb -0.07 -3.01 0.00 0.00 -1.53 0.00 0.00 36.38 31.78 2k4k s VAL 54 CO -0.04 -0.20 0.08 0.61 -3.33 0.00 0.00 175.10 172.21 2k4k n GLY 55 N 0.00 -0.14 3.33 6.54 0.00 -0.84 -4.99 105.19 109.10 2k4k n GLY 55 Ca 0.12 -0.32 -0.18 0.00 0.00 0.00 0.00 46.02 45.64 2k4k n GLY 55 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k4k s ASP 56 N -2.51 2.40 0.00 1.61 2.15 -1.25 -4.94 116.67 114.13 2k4k s ASP 56 Ca 0.04 -1.03 -0.16 0.00 0.43 0.00 0.00 52.55 51.83 2k4k s ASP 56 Cb -0.02 -0.11 -0.06 0.00 -0.30 0.00 0.00 42.92 42.44 2k4k s ASP 56 CO 0.05 -0.22 0.45 -0.70 -0.17 0.00 0.00 175.17 174.58 2k4k s GLU 57 N -3.67 4.03 0.01 4.34 2.12 -1.26 -0.67 118.70 123.59 2k4k s GLU 57 Ca 0.22 0.48 -0.03 0.00 0.36 0.00 0.00 54.97 56.00 2k4k s GLU 57 Cb 0.00 -3.25 -0.01 0.00 0.26 0.00 0.00 34.13 31.13 2k4k s GLU 57 CO 0.06 0.62 0.03 0.14 -0.54 0.00 0.00 175.26 175.56 2k4k s VAL 58 N -0.87 0.10 -0.18 3.70 -7.23 0.03 -4.97 120.40 110.98 2k4k s VAL 58 Ca 0.25 -0.84 -0.05 0.00 -1.81 0.00 0.00 61.98 59.54 2k4k s VAL 58 Cb -0.17 -0.33 -0.03 0.00 0.56 0.00 0.00 36.38 36.41 2k4k s VAL 58 CO 0.14 -0.46 -0.01 -1.58 -0.31 0.00 0.00 175.10 172.88 2k4k s GLN 59 N -1.45 3.69 0.10 4.82 0.74 -1.26 -0.81 119.66 125.48 2k4k s GLN 59 Ca -0.15 -0.50 0.09 0.00 0.05 0.00 0.00 55.36 54.84 2k4k s GLN 59 Cb -0.09 -3.01 -0.03 0.00 1.10 0.00 0.00 33.01 30.97 2k4k s GLN 59 CO -0.00 0.16 -0.22 0.14 -0.55 0.00 0.00 175.29 174.82 2k4k s VAL 60 N 0.61 1.80 -0.16 1.34 -7.23 0.30 -4.76 120.40 112.31 2k4k s VAL 60 Ca -0.01 -1.52 -0.11 0.00 -1.81 0.00 0.00 61.98 58.53 2k4k s VAL 60 Cb -0.14 -1.61 -0.05 0.00 0.56 0.00 0.00 36.38 35.14 2k4k s VAL 60 CO 0.02 0.01 0.21 -0.75 -0.31 0.00 0.00 175.10 174.28 2k4k s LYS 61 N -1.81 4.04 0.32 4.82 2.20 -0.45 -0.87 119.74 128.00 2k4k s LYS 61 Ca 0.08 -0.05 -0.29 0.00 -0.36 0.00 0.00 55.97 55.35 2k4k s LYS 61 Cb -0.10 -3.36 -0.10 0.00 -1.51 0.00 0.00 37.83 32.76 2k4k s LYS 61 CO 0.04 0.40 1.40 0.08 -0.36 0.00 0.00 175.35 176.92 2k4k s VAL 62 N 0.02 2.49 0.00 4.02 1.01 0.11 -0.81 120.40 127.24 2k4k s VAL 62 Ca 0.13 0.47 0.00 0.00 0.00 0.00 0.00 61.98 62.58 2k4k s VAL 62 Cb -0.12 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 32.96 2k4k s VAL 62 CO 0.02 0.10 0.00 -0.11 0.00 0.00 0.00 175.10 175.11 2k4k n LEU 63 N 1.18 0.37 -3.63 3.92 7.94 0.03 -2.01 117.00 124.80 2k4k n LEU 63 Ca 0.02 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.81 2k4k n LEU 63 Cb 0.40 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.31 2k4k n LEU 63 CO 0.61 0.06 0.17 0.00 -1.11 0.00 0.00 177.39 177.12 2k4k s ALA 64 N -1.78 -0.98 -0.03 1.96 0.00 -0.92 -4.89 121.76 115.13 2k4k s ALA 64 Ca 0.00 0.06 0.01 0.00 0.00 0.00 0.00 51.96 52.03 2k4k s ALA 64 Cb 0.00 0.63 0.01 0.00 0.00 0.00 0.00 23.12 23.76 2k4k s ALA 64 CO 0.00 -0.61 -0.05 0.08 0.00 0.00 0.00 175.76 175.18 2k4k s VAL 65 N -3.52 0.48 -0.36 0.00 1.01 -1.26 -1.08 120.40 115.68 2k4k s VAL 65 Ca 0.01 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 61.85 2k4k s VAL 65 Cb 0.01 -0.47 0.15 0.00 0.00 0.00 0.00 36.38 36.07 2k4k s VAL 65 CO -0.10 0.18 0.35 -0.62 0.00 0.00 0.00 175.10 174.91 2k4k s ASP 66 N 0.47 1.45 0.48 3.32 -1.08 -0.33 -5.00 116.67 115.98 2k4k s ASP 66 Ca -0.06 -1.53 0.27 0.00 -0.52 0.00 0.00 52.55 50.71 2k4k s ASP 66 Cb -0.10 0.44 1.12 0.00 -1.46 0.00 0.00 42.92 42.93 2k4k s ASP 66 CO -0.00 -0.28 1.90 -0.08 0.52 0.00 0.00 175.17 177.23 2k4k h GLU 67 N 7.23 0.00 -0.19 4.34 4.57 -1.88 0.14 114.58 128.79 2k4k h GLU 67 Ca 0.02 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 58.06 2k4k h GLU 67 Cb 1.05 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.64 2k4k h GLU 67 CO 0.23 0.15 -0.45 0.93 -1.18 0.00 0.00 179.01 178.69 2k4k h GLU 68 N 0.00 0.64 0.00 1.92 4.39 -1.94 -2.59 114.58 117.01 2k4k h GLU 68 Ca -0.00 -0.43 -0.06 0.00 0.34 0.00 0.00 59.36 59.20 2k4k h GLU 68 Cb 0.63 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 2k4k h GLU 68 CO 0.02 1.05 -0.29 -0.22 -1.16 0.00 0.00 179.01 178.41 2k4k h LYS 69 N 0.33 0.00 -1.23 2.33 3.64 -1.96 -3.47 116.57 116.21 2k4k h LYS 69 Ca -0.00 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 2k4k h LYS 69 Cb 1.05 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.89 2k4k h LYS 69 CO 0.10 0.29 -0.08 0.41 -2.27 0.00 0.00 179.45 177.90 2k4k n GLY 70 N -0.44 0.61 3.15 5.01 0.00 0.35 -5.06 105.19 108.81 2k4k n GLY 70 Ca -0.02 -0.63 -0.10 0.00 0.00 0.00 0.00 46.02 45.28 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 -4.85 0.91 -0.04 1.61 1.02 -0.30 -4.98 119.74 113.11 2k4k s LYS 71 Ca 0.05 -1.43 -0.01 0.00 0.02 0.00 0.00 55.97 54.61 2k4k s LYS 71 Cb -0.02 0.23 0.03 0.00 -0.52 0.00 0.00 37.83 37.54 2k4k s LYS 71 CO 0.06 -0.25 0.02 0.42 -0.92 0.00 0.00 175.35 174.68 2k4k s ILE 72 N -4.03 0.16 0.30 2.17 1.01 -1.26 -1.19 121.20 118.35 2k4k s ILE 72 Ca 0.23 0.19 -0.18 0.00 0.00 0.00 0.00 60.65 60.88 2k4k s ILE 72 Cb 0.07 -0.31 -0.09 0.00 0.01 0.00 0.00 42.46 42.14 2k4k s ILE 72 CO 0.01 0.19 0.77 -0.44 0.00 0.00 0.00 174.94 175.47 2k4k s SER 73 N 1.59 6.95 0.23 3.58 0.01 -0.24 -0.79 113.70 125.03 2k4k s SER 73 Ca -0.02 1.42 0.02 0.00 1.31 0.00 0.00 55.95 58.69 2k4k s SER 73 Cb -0.13 -2.43 -0.05 0.00 0.21 0.00 0.00 66.02 63.63 2k4k s SER 73 CO -0.03 -0.12 0.04 -0.76 0.41 0.00 0.00 173.24 172.78 2k4k s LEU 74 N -2.54 1.93 0.02 2.44 1.43 -0.18 -0.79 118.68 120.99 2k4k s LEU 74 Ca 0.50 -1.28 -0.06 0.00 -1.03 0.00 0.00 54.13 52.26 2k4k s LEU 74 Cb -0.13 -0.08 -0.01 0.00 0.03 0.00 0.00 46.19 46.00 2k4k s LEU 74 CO 0.19 -0.63 0.11 -0.94 0.23 0.00 0.00 176.35 175.31 2k4k s SER 75 N -3.27 0.11 0.00 2.29 1.04 0.01 -3.65 113.70 110.23 2k4k s SER 75 Ca 0.31 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.35 2k4k s SER 75 Cb 0.07 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.40 2k4k s SER 75 CO 0.10 -0.45 0.00 -0.38 0.98 0.00 0.00 173.24 173.49 2k4k n ILE 76 N 1.08 0.00 0.20 -1.02 2.08 -0.09 -1.34 119.36 120.27 2k4k n ILE 76 Ca -0.21 0.00 0.17 0.00 0.56 0.00 0.00 62.75 63.27 2k4k n ILE 76 Cb 0.57 -0.53 0.82 0.00 -0.75 0.00 0.00 39.64 39.75 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 -0.78 0.75 114.38 114.84 2k4k h ARG 77 Ca 0.00 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.06 2k4k h ARG 77 Cb 0.57 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.65 2k4k h ARG 77 CO 0.00 0.00 -0.10 0.00 0.10 0.00 0.00 179.97 179.97 2k4k h ALA 78 N 1.76 1.05 0.00 0.08 0.00 -1.82 -3.37 119.26 116.96 2k4k h ALA 78 Ca 0.09 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2k4k h ALA 78 Cb 0.52 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2k4k h ALA 78 CO -0.00 0.13 -1.15 0.25 0.00 0.00 0.00 179.25 178.48 2k4k n THR 79 N -3.28 0.11 -0.84 0.00 -2.24 0.05 -4.95 114.28 103.12 2k4k n THR 79 Ca -0.00 -0.09 -0.31 0.00 -2.27 0.00 0.00 64.05 61.38 2k4k n THR 79 Cb 0.33 -0.55 0.15 0.00 -2.10 0.00 0.00 70.33 68.16 2k4k n THR 79 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2k4k s GLN 80 N -2.09 1.29 0.07 -0.78 -1.52 -0.03 -5.08 119.66 111.52 2k4k s GLN 80 Ca -0.01 1.53 -0.10 0.00 -1.95 0.00 0.00 55.36 54.82 2k4k s GLN 80 Cb 0.01 -1.76 0.01 0.00 -0.22 0.00 0.00 33.01 31.05 2k4k s GLN 80 CO 0.10 -2.43 0.23 0.00 -0.25 0.00 0.00 175.29 172.94 2k4k s ALA 81 N -2.61 -0.41 0.54 6.09 0.00 -1.26 -4.96 121.76 119.15 2k4k s ALA 81 Ca 0.67 -0.36 -0.21 0.00 0.00 0.00 0.00 51.96 52.05 2k4k s ALA 81 Cb -0.23 0.42 -0.05 0.00 0.00 0.00 0.00 23.12 23.26 2k4k s ALA 81 CO 0.56 -0.47 1.30 0.00 0.00 0.00 0.00 175.76 177.15 2k4k s ALA 82 N -3.27 2.80 0.89 0.00 0.00 -1.26 -5.03 121.76 115.88 2k4k s ALA 82 Ca 0.00 1.21 -0.11 0.00 0.00 0.00 0.00 51.96 53.06 2k4k s ALA 82 Cb 0.02 -3.51 0.13 0.00 0.00 0.00 0.00 23.12 19.75 2k4k s ALA 82 CO -0.08 -1.21 1.09 -1.25 0.00 0.00 0.00 175.76 174.32 2k4k s PRO 83 N -2.93 1.31 0.61 0.00 0.04 -1.26 -5.03 135.00 127.74 2k4k s PRO 83 Ca 0.71 0.83 -0.19 0.00 0.04 0.00 0.00 61.00 62.39 2k4k s PRO 83 Cb -0.37 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 2k4k s PRO 83 CO 0.43 -2.21 1.29 -2.00 0.04 0.00 0.00 177.00 174.54 2k4k s GLU 84 N -4.94 2.80 -1.03 4.56 2.12 -1.26 -4.89 118.70 116.07 2k4k s GLU 84 Ca 0.63 2.04 -0.07 0.00 0.36 0.00 0.00 54.97 57.93 2k4k s GLU 84 Cb -0.18 -1.96 -0.10 0.00 0.26 0.00 0.00 34.13 32.15 2k4k s GLU 84 CO 0.57 -1.40 2.63 1.63 -0.54 0.00 0.00 175.26 178.15 2k4k n LYS 85 N -1.62 2.65 -0.01 4.30 5.02 -1.26 -4.71 118.16 122.54 2k4k n LYS 85 Ca 0.14 -1.63 0.23 0.00 -2.02 0.00 0.00 58.31 55.03 2k4k n LYS 85 Cb 0.48 -2.48 0.72 0.00 -0.02 0.00 0.00 35.03 33.73 2k4k n LYS 85 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2k4k h LYS 86 N 5.24 0.00 0.00 1.97 1.79 -1.99 0.87 116.57 124.45 2k4k h LYS 86 Ca 0.58 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 59.05 2k4k h LYS 86 Cb 0.42 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.07 2k4k h LYS 86 CO 1.35 0.00 -0.02 0.93 -1.08 0.00 0.00 179.45 180.63 2k4k h GLU 87 N 0.00 0.00 0.00 3.15 5.08 -1.97 -3.40 114.58 117.44 2k4k h GLU 87 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 2k4k h GLU 87 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2k4k h GLU 87 CO -0.00 0.02 0.00 0.43 -1.00 0.00 0.00 179.01 178.46 2k4k n SER 88 N -3.13 0.00 0.18 1.42 7.64 -0.53 -4.93 113.62 114.28 2k4k n SER 88 Ca 0.00 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.75 2k4k n SER 88 Cb 0.31 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.43 2k4k n SER 88 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2k4k h LYS 89 N 0.00 -0.45 -7.15 1.43 3.64 -1.09 -3.44 116.57 109.51 2k4k h LYS 89 Ca 0.00 0.03 -0.53 0.00 -1.27 0.00 0.00 60.65 58.88 2k4k h LYS 89 Cb 0.00 0.10 0.13 0.00 -0.41 0.00 0.00 32.23 32.06 2k4k h LYS 89 CO 0.00 -0.15 0.42 -1.25 -2.27 0.00 0.00 179.45 176.21 2k4k s PRO 90 N -4.77 2.56 0.08 1.90 0.04 -1.26 -4.89 135.00 128.66 2k4k s PRO 90 Ca -0.14 1.74 0.19 0.00 0.04 0.00 0.00 61.00 62.83 2k4k s PRO 90 Cb 0.02 -1.89 -0.12 0.00 0.04 0.00 0.00 34.50 32.56 2k4k s PRO 90 CO 0.54 -1.51 0.82 0.54 0.04 0.00 0.00 177.00 177.43 2k4k n ARG 91 N -2.22 0.62 -3.76 4.56 5.12 0.28 -4.93 116.66 116.34 2k4k n ARG 91 Ca 0.13 0.15 -0.13 0.00 -1.93 0.00 0.00 57.85 56.07 2k4k n ARG 91 Cb 0.50 -1.77 -0.11 0.00 -1.16 0.00 0.00 32.46 29.92 2k4k n ARG 91 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 2k4k s LYS 92 N -3.08 0.40 0.94 5.56 2.47 -0.90 -5.03 119.74 120.10 2k4k s LYS 92 Ca -0.03 0.46 -0.12 0.00 -1.56 0.00 0.00 55.97 54.72 2k4k s LYS 92 Cb 0.09 0.20 0.07 0.00 -1.46 0.00 0.00 37.83 36.73 2k4k s LYS 92 CO 0.81 -0.05 0.67 -2.30 0.16 0.00 0.00 175.35 174.64 2k4k n PRO 93 N 2.86 -0.34 -3.83 4.03 -0.02 -1.26 -4.51 135.00 131.93 2k4k n PRO 93 Ca -0.13 -0.05 -0.12 0.00 -2.02 0.00 0.00 63.50 61.18 2k4k n PRO 93 Cb 0.58 -2.04 -0.10 0.00 -0.02 0.00 0.00 33.50 31.92 2k4k n PRO 93 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2k4k s LYS 94 N -3.97 0.54 0.77 -0.52 2.20 -1.26 -4.89 119.74 112.60 2k4k s LYS 94 Ca 0.61 -0.31 -0.14 0.00 -0.36 0.00 0.00 55.97 55.76 2k4k s LYS 94 Cb -0.22 0.23 0.06 0.00 -1.51 0.00 0.00 37.83 36.39 2k4k s LYS 94 CO 0.64 -0.13 1.23 0.00 -0.36 0.00 0.00 175.35 176.72 2k4k s ALA 95 N -1.32 1.98 0.02 3.13 0.00 -1.26 -4.95 121.76 119.36 2k4k s ALA 95 Ca -0.14 0.93 -0.30 0.00 0.00 0.00 0.00 51.96 52.45 2k4k s ALA 95 Cb -0.07 -3.51 -0.08 0.00 0.00 0.00 0.00 23.12 19.47 2k4k s ALA 95 CO 0.02 -2.11 1.87 0.00 0.00 0.00 0.00 175.76 175.54 2k4k s ALA 96 N -1.96 3.61 0.23 0.00 0.00 -1.26 -4.97 121.76 117.40 2k4k s ALA 96 Ca 0.75 1.24 -0.08 0.00 0.00 0.00 0.00 51.96 53.87 2k4k s ALA 96 Cb -0.31 -3.81 -0.02 0.00 0.00 0.00 0.00 23.12 18.98 2k4k s ALA 96 CO 0.48 -1.48 0.34 -0.65 0.00 0.00 0.00 175.76 174.44 2k4k s GLN 97 N 4.15 1.40 1.15 0.00 -0.21 -1.26 -5.17 119.66 119.72 2k4k s GLN 97 Ca 0.84 -1.39 -0.14 0.00 0.02 0.00 0.00 55.36 54.68 2k4k s GLN 97 Cb -0.41 0.39 0.23 0.00 1.00 0.00 0.00 33.01 34.23 2k4k s GLN 97 CO 0.38 -0.54 0.76 1.33 -2.12 0.00 0.00 175.29 175.10 2k4k n VAL 98 N -0.33 0.00 -1.57 1.09 0.24 -1.26 -4.95 118.33 111.54 2k4k n VAL 98 Ca -0.00 -0.39 -0.44 0.00 -2.04 0.00 0.00 64.34 61.46 2k4k n VAL 98 Cb 0.63 -0.89 -0.01 0.00 -1.47 0.00 0.00 33.84 32.10 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 -4.04 1.01 -3.69 -1.34 7.64 -1.26 -5.01 113.62 106.93 2k4k n SER 99 Ca 0.03 1.15 -0.12 0.00 1.01 0.00 0.00 58.87 60.94 2k4k n SER 99 Cb 0.56 -1.26 -0.06 0.00 -1.01 0.00 0.00 64.21 62.43 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 -1.57 0.91 0.00 1.43 2.56 -1.26 -5.08 118.70 115.69 2k4k s GLU 100 Ca 0.60 -0.47 0.00 0.00 0.00 0.00 0.00 54.97 55.09 2k4k s GLU 100 Cb -0.69 0.40 0.00 0.00 2.00 0.00 0.00 34.13 35.84 2k4k s GLU 100 CO 0.59 -0.31 0.04 -0.85 -0.56 0.00 0.00 175.26 174.17 2k4k n GLU 101 N 0.39 0.00 -4.13 4.30 0.28 -1.26 -5.00 120.64 115.22 2k4k n GLU 101 Ca -0.18 -0.04 -0.10 0.00 -0.16 0.00 0.00 57.16 56.68 2k4k n GLU 101 Cb 0.60 -0.38 -0.10 0.00 1.43 0.00 0.00 31.44 32.99 2k4k n GLU 101 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2k4k s ALA 102 N 0.00 0.79 -1.34 -1.84 0.00 -1.26 -4.62 121.76 113.50 2k4k s ALA 102 Ca 0.00 -1.22 -0.12 0.00 0.00 0.00 0.00 51.96 50.62 2k4k s ALA 102 Cb 0.00 0.17 0.10 0.00 0.00 0.00 0.00 23.12 23.39 2k4k s ALA 102 CO 0.00 -0.24 0.53 0.43 0.00 0.00 0.00 175.76 176.49 2k4k n SER 103 N 0.23 -3.27 -4.77 0.00 7.64 -1.26 -4.91 113.62 107.28 2k4k n SER 103 Ca -0.14 -0.54 -0.30 0.00 1.01 0.00 0.00 58.87 58.89 2k4k n SER 103 Cb 0.60 -2.72 0.10 0.00 -1.01 0.00 0.00 64.21 61.18 2k4k n SER 103 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2k4k s THR 104 N -2.97 3.23 0.20 0.44 -4.23 -1.13 -4.88 115.64 106.31 2k4k s THR 104 Ca 0.49 0.40 0.28 0.00 -1.18 0.00 0.00 61.69 61.68 2k4k s THR 104 Cb -0.27 -2.98 0.29 0.00 1.34 0.00 0.00 72.50 70.89 2k4k s THR 104 CO 0.60 -0.52 1.93 1.55 -0.54 0.00 0.00 174.62 177.64 2k4k h PRO 105 N -1.16 0.00 0.00 3.99 0.13 -1.90 -1.54 132.00 131.52 2k4k h PRO 105 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2k4k h PRO 105 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2k4k h PRO 105 CO 0.55 0.15 0.00 1.04 -0.23 0.00 0.00 178.00 179.50 2k4k n GLN 106 N -3.36 0.66 0.00 0.86 6.02 -1.26 -0.55 117.38 119.75 2k4k n GLN 106 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2k4k n GLN 106 Cb 0.35 -1.28 0.00 0.00 1.02 0.00 0.00 30.24 30.33 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 0.25 1.90 3.66 1.08 0.00 -0.58 -4.60 105.19 106.91 2k4k n GLY 107 Ca 0.09 -2.07 -0.36 0.00 0.00 0.00 0.00 46.02 43.68 2k4k n GLY 107 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2k4k n PHE 108 N 0.61 1.10 -3.75 1.61 7.35 -1.26 -2.83 117.46 120.29 2k4k n PHE 108 Ca 0.00 0.40 -0.13 0.00 -0.76 0.00 0.00 57.45 56.96 2k4k n PHE 108 Cb 0.00 -2.13 -0.14 0.00 0.35 0.00 0.00 39.48 37.56 2k4k n PHE 108 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 2k4k s ASN 109 N -1.65 -0.17 1.10 -2.13 2.47 -1.26 -4.89 114.94 108.41 2k4k s ASN 109 Ca 0.76 0.37 -0.16 0.00 0.42 0.00 0.00 52.86 54.25 2k4k s ASN 109 Cb -0.35 0.28 0.24 0.00 -1.45 0.00 0.00 41.25 39.97 2k4k s ASN 109 CO 0.48 -0.14 1.13 0.42 -3.72 0.00 0.00 177.10 175.27 2k4k s THR 110 N 1.03 1.78 0.00 -5.21 -4.23 -1.26 -4.50 115.64 103.25 2k4k s THR 110 Ca -0.08 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.43 2k4k s THR 110 Cb -0.10 -2.58 -0.00 0.00 1.34 0.00 0.00 72.50 71.16 2k4k s THR 110 CO -0.06 0.00 -0.01 -0.22 -0.54 0.00 0.00 174.62 173.79 2k4k s LEU 111 N -6.61 2.05 0.09 4.79 2.96 -1.26 -4.95 118.68 115.74 2k4k s LEU 111 Ca 0.69 -0.11 -0.02 0.00 -0.22 0.00 0.00 54.13 54.48 2k4k s LEU 111 Cb -0.12 -0.01 -0.04 0.00 0.50 0.00 0.00 46.19 46.53 2k4k s LEU 111 CO 0.56 -0.05 0.03 -0.54 -1.32 0.00 0.00 176.35 175.02 2k4k s LYS 112 N -0.29 0.78 0.55 1.98 1.02 -1.26 -5.03 119.74 117.48 2k4k s LYS 112 Ca -0.03 -1.31 0.24 0.00 0.02 0.00 0.00 55.97 54.89 2k4k s LYS 112 Cb -0.02 0.23 1.45 0.00 -0.52 0.00 0.00 37.83 38.97 2k4k s LYS 112 CO -0.00 -0.19 2.07 0.22 -0.92 0.00 0.00 175.35 176.53 2k4k h ASP 113 N 2.99 0.00 0.00 2.83 3.58 -2.06 -2.10 116.42 121.65 2k4k h ASP 113 Ca -0.34 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.10 2k4k h ASP 113 Cb 1.17 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.22 2k4k h ASP 113 CO 0.62 0.00 -0.17 0.29 -2.88 0.00 0.00 179.24 177.10 2k4k n LYS 114 N -4.24 0.90 -1.84 0.28 5.02 -1.26 -4.97 118.16 112.05 2k4k n LYS 114 Ca 0.04 -2.13 -0.40 0.00 -2.02 0.00 0.00 58.31 53.79 2k4k n LYS 114 Cb 0.37 -1.20 -0.03 0.00 -0.02 0.00 0.00 35.03 34.16 2k4k n LYS 114 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2k4k s LEU 115 N -2.02 3.42 0.28 -0.35 0.20 -0.79 -4.84 118.68 114.57 2k4k s LEU 115 Ca 0.23 1.12 -0.16 0.00 0.69 0.00 0.00 54.13 56.01 2k4k s LEU 115 Cb 0.20 -3.05 0.01 0.00 -0.43 0.00 0.00 46.19 42.93 2k4k s LEU 115 CO 0.02 -2.18 0.61 -0.70 -0.29 0.00 0.00 176.35 173.80 2k4k s GLU 116 N 6.71 1.74 0.40 1.98 -6.30 -1.26 -4.88 118.70 117.07 2k4k s GLU 116 Ca 0.84 -1.19 0.27 0.00 -2.50 0.00 0.00 54.97 52.40 2k4k s GLU 116 Cb -0.21 0.54 1.46 0.00 0.00 0.00 0.00 34.13 35.92 2k4k s GLU 116 CO 0.29 -0.76 1.82 1.49 0.02 0.00 0.00 175.26 178.12 2k4k h GLU 117 N 2.11 0.00 0.00 4.30 4.57 -2.06 -1.55 114.58 121.96 2k4k h GLU 117 Ca -0.24 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.94 2k4k h GLU 117 Cb 1.25 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.84 2k4k h GLU 117 CO 0.31 0.00 -0.03 0.11 -1.18 0.00 0.00 179.01 178.21 2k4k h TRP 118 N 0.00 0.00 -3.86 0.92 0.09 -1.97 -3.45 115.95 107.68 2k4k h TRP 118 Ca 0.00 0.00 -0.47 0.00 0.09 0.00 0.00 58.89 58.51 2k4k h TRP 118 Cb 0.00 0.00 0.17 0.00 0.08 0.00 0.00 29.16 29.41 2k4k h TRP 118 CO 0.00 0.03 0.18 0.96 0.09 0.00 0.00 178.44 179.71 2k4k s ILE 119 N -4.02 2.31 0.01 0.12 -4.36 -0.59 -5.09 121.20 109.57 2k4k s ILE 119 Ca -0.02 0.10 0.01 0.00 -0.26 0.00 0.00 60.65 60.47 2k4k s ILE 119 Cb 0.12 -2.47 -0.01 0.00 1.25 0.00 0.00 42.46 41.35 2k4k s ILE 119 CO 0.50 -0.13 -0.03 -0.70 0.24 0.00 0.00 174.94 174.82 2k4k s GLU 120 N -4.83 0.23 -0.08 0.37 -6.30 -1.26 -5.06 118.70 101.78 2k4k s GLU 120 Ca 0.65 -0.24 -0.14 0.00 -2.50 0.00 0.00 54.97 52.75 2k4k s GLU 120 Cb -0.20 -0.14 0.03 0.00 0.00 0.00 0.00 34.13 33.82 2k4k s GLU 120 CO 0.59 0.03 0.34 -1.64 0.02 0.00 0.00 175.26 174.60 2k4k s MET 121 N -0.44 0.55 0.57 4.30 -1.94 -1.26 -5.03 119.30 116.04 2k4k s MET 121 Ca -0.03 0.16 0.38 0.00 -1.71 0.00 0.00 55.69 54.49 2k4k s MET 121 Cb -0.03 0.25 1.90 0.00 2.01 0.00 0.00 34.83 38.95 2k4k s MET 121 CO -0.00 -0.12 2.14 0.77 -0.01 0.00 0.00 175.02 177.80 2k4k h SER 122 N 4.72 0.00 0.07 3.03 0.02 -1.96 0.94 113.55 120.37 2k4k h SER 122 Ca -0.28 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.57 2k4k h SER 122 Cb 1.18 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.71 2k4k h SER 122 CO 0.34 0.00 -0.33 -1.13 -1.14 0.00 0.00 176.83 174.57 2k4k h ASN 123 N 0.00 0.38 0.93 3.07 -1.24 -1.93 -1.37 115.58 115.42 2k4k h ASN 123 Ca 0.00 -0.15 -0.22 0.00 0.71 0.00 0.00 56.30 56.64 2k4k h ASN 123 Cb 0.17 -0.11 -0.03 0.00 0.73 0.00 0.00 38.32 39.08 2k4k h ASN 123 CO 0.00 0.70 -1.07 -0.09 -1.29 0.00 0.00 177.43 175.68 2k4k h ARG 124 N 0.32 0.03 -6.51 6.67 2.43 -1.21 -3.46 114.38 112.65 2k4k h ARG 124 Ca 0.04 -0.06 -0.60 0.00 -0.81 0.00 0.00 59.98 58.56 2k4k h ARG 124 Cb 0.75 0.02 0.12 0.00 -0.42 0.00 0.00 29.97 30.44 2k4k h ARG 124 CO 0.06 1.00 0.05 1.63 -1.51 0.00 0.00 179.97 181.20 2k4k n LYS 125 N -3.36 1.21 -0.23 0.20 5.02 -0.64 -4.91 118.16 115.44 2k4k n LYS 125 Ca -0.02 0.43 -0.06 0.00 -2.02 0.00 0.00 58.31 56.64 2k4k n LYS 125 Cb 0.96 -1.86 0.04 0.00 -0.02 0.00 0.00 35.03 34.15 2k4k n LYS 125 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 2k4k h ASP 126 N 1.60 0.79 0.00 4.39 3.58 -1.90 -2.73 116.42 122.14 2k4k h ASP 126 Ca -0.41 -0.07 -0.70 0.00 0.42 0.00 0.00 57.03 56.27 2k4k h ASP 126 Cb 1.35 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 42.18 2k4k h ASP 126 CO 0.57 0.63 2.99 -0.11 -2.88 0.00 0.00 179.24 180.44 2k4k n LEU 127 N -4.56 6.36 -4.73 2.28 -0.00 -1.26 -4.96 117.00 110.13 2k4k n LEU 127 Ca 0.05 -3.91 -0.42 0.00 -0.00 0.00 0.00 56.01 51.73 2k4k n LEU 127 Cb 0.07 -1.56 -0.01 0.00 -0.00 0.00 0.00 43.42 41.91 2k4k n LEU 127 CO 0.37 0.84 1.09 0.00 -0.00 0.00 0.00 177.39 179.69 2k4k n ILE 128 N 5.26 1.46 -3.76 1.96 3.06 -1.03 -4.98 119.36 121.32 2k4k n ILE 128 Ca 0.52 -0.37 -0.13 0.00 -2.50 0.00 0.00 62.75 60.27 2k4k n ILE 128 Cb 0.39 -1.77 -0.11 0.00 0.54 0.00 0.00 39.64 38.69 2k4k n ILE 128 CO 0.00 0.00 0.00 -0.75 -2.50 0.00 0.00 176.55 173.30 2k4k s LYS 129 N -1.17 0.41 0.00 9.51 2.47 -0.52 -5.02 119.74 125.42 2k4k s LYS 129 Ca 0.60 0.35 0.00 0.00 -1.56 0.00 0.00 55.97 55.37 2k4k s LYS 129 Cb -0.54 0.20 0.00 0.00 -1.46 0.00 0.00 37.83 36.03 2k4k s LYS 129 CO 0.55 -0.06 0.00 0.36 0.16 0.00 0.00 175.35 176.36