#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4w s SER 2 N 0.00 -0.32 -0.16 0.00 0.01 -1.26 -0.03 113.70 111.94 2k4w s SER 2 Ca 0.00 0.05 -0.15 0.00 1.31 0.00 0.00 55.95 57.17 2k4w s SER 2 Cb 0.00 0.43 0.04 0.00 0.21 0.00 0.00 66.02 66.71 2k4w s SER 2 CO 0.00 -0.66 0.43 -1.83 0.41 0.00 0.00 173.24 171.59 2k4w s GLU 3 N -2.38 0.50 -0.35 12.44 -1.05 0.32 -5.00 118.70 123.17 2k4w s GLU 3 Ca -0.06 0.63 -0.13 0.00 -0.15 0.00 0.00 54.97 55.26 2k4w s GLU 3 Cb -0.01 0.22 -0.00 0.00 -0.44 0.00 0.00 34.13 33.90 2k4w s GLU 3 CO -0.02 -0.07 0.24 -1.59 0.95 0.00 0.00 175.26 174.78 2k4w s LYS 4 N 0.35 3.31 -0.27 -4.83 0.00 -1.26 -0.43 119.74 116.61 2k4w s LYS 4 Ca -0.01 -0.77 -0.21 0.00 0.00 0.00 0.00 55.97 54.98 2k4w s LYS 4 Cb -0.04 -3.81 -0.01 0.00 0.00 0.00 0.00 37.83 33.97 2k4w s LYS 4 CO -0.01 -0.53 0.68 0.08 0.00 0.00 0.00 175.35 175.58 2k4w s VAL 5 N 1.69 4.92 -0.64 1.79 1.01 -0.09 -4.88 120.40 124.20 2k4w s VAL 5 Ca 0.05 1.14 -0.26 0.00 0.00 0.00 0.00 61.98 62.92 2k4w s VAL 5 Cb -0.18 -4.01 0.04 0.00 0.00 0.00 0.00 36.38 32.23 2k4w s VAL 5 CO 0.10 -0.07 1.14 -0.83 0.00 0.00 0.00 175.10 175.44 2k4w s GLY 6 N 1.51 1.13 0.37 4.51 0.00 -1.26 -1.17 107.32 112.41 2k4w s GLY 6 Ca 0.28 -1.23 -0.20 0.00 0.00 0.00 0.00 44.72 43.57 2k4w s GLY 6 CO 0.10 2.41 0.88 1.06 0.00 0.00 0.00 173.10 177.54 2k4w s MET 7 N 4.91 4.22 0.13 2.90 -1.94 -1.01 -4.72 119.30 123.81 2k4w s MET 7 Ca 0.35 1.02 0.08 0.00 -1.71 0.00 0.00 55.69 55.43 2k4w s MET 7 Cb -0.10 -2.38 -0.04 0.00 2.01 0.00 0.00 34.83 34.32 2k4w s MET 7 CO 0.18 0.09 -0.12 -0.80 -0.01 0.00 0.00 175.02 174.37 2k4w s ASN 8 N -2.09 4.23 0.46 3.03 -0.87 -0.08 -4.00 114.94 115.62 2k4w s ASN 8 Ca 0.57 -0.49 -0.24 0.00 -1.57 0.00 0.00 52.86 51.12 2k4w s ASN 8 Cb -0.11 -0.73 -0.07 0.00 -0.02 0.00 0.00 41.25 40.32 2k4w s ASN 8 CO 0.16 0.15 1.31 -0.76 -2.57 0.00 0.00 177.10 175.39 2k4w s LEU 9 N -2.41 4.06 0.05 0.60 1.43 0.15 -0.94 118.68 121.61 2k4w s LEU 9 Ca 0.22 2.65 0.03 0.00 -1.03 0.00 0.00 54.13 56.00 2k4w s LEU 9 Cb -0.10 -4.08 -0.02 0.00 0.03 0.00 0.00 46.19 42.02 2k4w s LEU 9 CO 0.13 -1.10 -0.10 0.68 0.23 0.00 0.00 176.35 176.19 2k4w s VAL 10 N -1.32 0.78 -0.33 -1.59 -7.23 -0.72 -0.83 120.40 109.15 2k4w s VAL 10 Ca 0.63 -1.12 0.03 0.00 -1.81 0.00 0.00 61.98 59.71 2k4w s VAL 10 Cb -0.37 -0.79 0.18 0.00 0.56 0.00 0.00 36.38 35.96 2k4w s VAL 10 CO 0.47 -0.28 1.19 1.07 -0.31 0.00 0.00 175.10 177.24 2k4w n THR 11 N 1.48 0.00 0.00 5.32 5.66 -1.22 -4.65 114.28 120.87 2k4w n THR 11 Ca -0.22 -0.77 0.00 0.00 -3.05 0.00 0.00 64.05 60.01 2k4w n THR 11 Cb 0.55 0.81 0.00 0.00 -1.55 0.00 0.00 70.33 70.14 2k4w n THR 11 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2k4w n ALA 12 N -0.18 0.00 0.77 1.79 0.00 -1.03 -4.64 120.51 117.22 2k4w n ALA 12 Ca -0.17 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.38 2k4w n ALA 12 Cb 0.70 -0.14 0.47 0.00 0.00 0.00 0.00 19.45 20.49 2k4w n ALA 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2k4w n GLN 13 N -1.80 0.01 0.00 0.00 3.00 -1.26 -4.64 117.38 112.68 2k4w n GLN 13 Ca 0.00 0.12 0.00 0.00 -0.01 0.00 0.00 57.00 57.11 2k4w n GLN 13 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.74 2k4w n GLN 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2k4w n GLY 14 N 0.77 0.51 3.70 1.08 0.00 -1.26 -4.86 105.19 105.12 2k4w n GLY 14 Ca 0.05 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 2k4w n GLY 14 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k4w s VAL 15 N 0.00 4.10 0.00 1.61 1.01 -1.23 -3.45 120.40 122.44 2k4w s VAL 15 Ca 0.00 1.47 0.00 0.00 0.00 0.00 0.00 61.98 63.45 2k4w s VAL 15 Cb 0.00 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.44 2k4w s VAL 15 CO 0.00 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.75 2k4w n GLY 16 N 3.35 1.46 3.97 4.51 0.00 -0.01 -5.02 105.19 113.44 2k4w n GLY 16 Ca 0.11 -0.96 -0.22 0.00 0.00 0.00 0.00 46.02 44.95 2k4w n GLY 16 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2k4w s GLN 17 N 4.55 3.14 0.10 1.61 -2.07 -1.26 -4.77 119.66 120.96 2k4w s GLN 17 Ca 0.00 -0.66 0.01 0.00 -1.82 0.00 0.00 55.36 52.89 2k4w s GLN 17 Cb 0.00 -2.67 -0.04 0.00 -1.09 0.00 0.00 33.01 29.21 2k4w s GLN 17 CO 0.00 -0.09 0.24 0.45 -1.32 0.00 0.00 175.29 174.57 2k4w s SER 18 N -4.18 6.34 0.00 12.60 0.15 -1.26 -0.68 113.70 126.67 2k4w s SER 18 Ca 0.46 0.22 0.00 0.00 0.70 0.00 0.00 55.95 57.33 2k4w s SER 18 Cb -0.10 -1.93 0.00 0.00 -1.71 0.00 0.00 66.02 62.28 2k4w s SER 18 CO 0.35 0.12 0.17 2.30 1.20 0.00 0.00 173.24 177.38 2k4w n ILE 19 N -0.05 0.00 0.00 6.45 -6.64 -1.26 -4.97 119.36 112.89 2k4w n ILE 19 Ca -0.06 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.92 2k4w n ILE 19 Cb 0.52 1.24 0.00 0.00 -1.44 0.00 0.00 39.64 39.96 2k4w n ILE 19 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 2k4w n GLY 20 N 0.00 1.65 3.90 3.28 0.00 -1.26 -2.91 105.19 109.85 2k4w n GLY 20 Ca 0.00 -1.08 -0.26 0.00 0.00 0.00 0.00 46.02 44.68 2k4w n GLY 20 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k4w s THR 21 N -2.00 1.75 -0.05 2.61 -4.23 -1.26 -2.39 115.64 110.07 2k4w s THR 21 Ca 0.00 -1.49 0.02 0.00 -1.18 0.00 0.00 61.69 59.04 2k4w s THR 21 Cb 0.00 -2.23 0.01 0.00 1.34 0.00 0.00 72.50 71.62 2k4w s THR 21 CO 0.00 0.00 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.29 2k4w s VAL 22 N -2.75 0.92 -0.18 2.29 1.01 -0.32 -2.92 120.40 118.45 2k4w s VAL 22 Ca 0.35 -0.38 -0.24 0.00 0.00 0.00 0.00 61.98 61.72 2k4w s VAL 22 Cb -0.02 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.50 2k4w s VAL 22 CO 0.22 0.30 0.77 0.54 0.00 0.00 0.00 175.10 176.93 2k4w s VAL 23 N 0.55 4.92 -0.20 2.92 0.11 0.11 -0.91 120.40 127.89 2k4w s VAL 23 Ca -0.10 1.49 -0.07 0.00 -2.93 0.00 0.00 61.98 60.37 2k4w s VAL 23 Cb -0.13 -4.08 -0.03 0.00 -1.53 0.00 0.00 36.38 30.61 2k4w s VAL 23 CO 0.02 0.05 0.05 -0.63 -3.33 0.00 0.00 175.10 171.26 2k4w s ILE 24 N 2.12 4.48 -0.22 7.04 1.01 0.43 -0.79 121.20 135.28 2k4w s ILE 24 Ca 0.35 -0.13 -0.03 0.00 0.00 0.00 0.00 60.65 60.84 2k4w s ILE 24 Cb -0.16 -3.04 0.07 0.00 0.01 0.00 0.00 42.46 39.34 2k4w s ILE 24 CO 0.11 0.42 0.06 -0.62 0.00 0.00 0.00 174.94 174.91 2k4w s ASP 25 N 0.86 3.05 0.37 3.58 2.15 0.15 -0.52 116.67 126.31 2k4w s ASP 25 Ca 0.03 -0.95 -0.26 0.00 0.43 0.00 0.00 52.55 51.80 2k4w s ASP 25 Cb -0.14 -0.56 -0.09 0.00 -0.30 0.00 0.00 42.92 41.83 2k4w s ASP 25 CO 0.02 -0.34 1.08 -1.83 -0.17 0.00 0.00 175.17 173.94 2k4w s GLU 26 N 1.89 4.26 0.18 4.34 4.04 0.96 -0.57 118.70 133.81 2k4w s GLU 26 Ca 0.02 1.65 -0.07 0.00 0.04 0.00 0.00 54.97 56.61 2k4w s GLU 26 Cb -0.17 -2.73 0.03 0.00 0.02 0.00 0.00 34.13 31.28 2k4w s GLU 26 CO -0.13 -0.09 0.37 -2.37 -1.84 0.00 0.00 175.26 171.20 2k4w n THR 27 N 0.28 0.00 0.27 1.83 5.66 -0.62 -0.88 114.28 120.82 2k4w n THR 27 Ca 0.03 -0.46 0.14 0.00 -3.05 0.00 0.00 64.05 60.71 2k4w n THR 27 Cb 0.48 0.46 0.84 0.00 -1.55 0.00 0.00 70.33 70.55 2k4w n THR 27 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 2k4w h GLU 28 N 0.00 0.00 -0.56 1.09 4.81 -1.96 0.16 114.58 118.11 2k4w h GLU 28 Ca -0.16 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 2k4w h GLU 28 Cb 0.57 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.95 2k4w h GLU 28 CO 0.20 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.89 2k4w n GLY 29 N -1.39 1.59 7.00 1.92 0.00 -1.26 -5.06 105.19 107.99 2k4w n GLY 29 Ca -0.02 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.49 2k4w n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4w n GLY 30 N 0.89 0.08 3.55 -0.02 0.00 0.54 -2.78 105.19 107.46 2k4w n GLY 30 Ca 0.16 -0.98 -0.40 0.00 0.00 0.00 0.00 46.02 44.79 2k4w n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k4w s LEU 31 N 0.00 3.22 -0.35 0.99 1.43 -0.84 -1.58 118.68 121.55 2k4w s LEU 31 Ca 0.00 -0.22 -0.29 0.00 -1.03 0.00 0.00 54.13 52.59 2k4w s LEU 31 Cb 0.00 -2.55 0.01 0.00 0.03 0.00 0.00 46.19 43.68 2k4w s LEU 31 CO 0.00 -2.03 1.22 -0.75 0.23 0.00 0.00 176.35 175.01 2k4w s LYS 32 N 6.19 3.90 -0.29 1.70 2.20 0.27 -0.85 119.74 132.85 2k4w s LYS 32 Ca 0.47 1.05 -0.09 0.00 -0.36 0.00 0.00 55.97 57.05 2k4w s LYS 32 Cb -0.09 -3.85 -0.01 0.00 -1.51 0.00 0.00 37.83 32.36 2k4w s LYS 32 CO 0.16 -1.14 0.13 0.12 -0.36 0.00 0.00 175.35 174.26 2k4w s PHE 33 N 4.27 3.16 -0.20 4.03 5.36 0.92 -0.68 117.98 134.83 2k4w s PHE 33 Ca 0.52 -0.52 0.01 0.00 -0.96 0.00 0.00 56.93 55.98 2k4w s PHE 33 Cb -0.13 -2.32 0.04 0.00 -0.34 0.00 0.00 43.02 40.26 2k4w s PHE 33 CO 0.23 -0.42 -0.13 0.99 -1.46 0.00 0.00 175.22 174.43 2k4w s THR 34 N 1.61 1.84 0.48 0.12 2.01 0.03 -1.18 115.64 120.55 2k4w s THR 34 Ca 0.05 -1.10 -0.03 0.00 0.31 0.00 0.00 61.69 60.92 2k4w s THR 34 Cb -0.17 -1.85 -0.01 0.00 0.01 0.00 0.00 72.50 70.48 2k4w s THR 34 CO 0.06 0.23 0.74 -2.16 -0.69 0.00 0.00 174.62 172.79 2k4w s PRO 35 N 1.32 3.20 -0.10 4.92 0.04 -1.26 -0.71 135.00 142.40 2k4w s PRO 35 Ca -0.01 -0.18 0.13 0.00 0.04 0.00 0.00 61.00 60.98 2k4w s PRO 35 Cb -0.16 -2.46 0.27 0.00 0.04 0.00 0.00 34.50 32.20 2k4w s PRO 35 CO -0.09 -0.30 1.17 -2.39 0.04 0.00 0.00 177.00 175.43 2k4w n HIS 36 N -2.21 -0.21 -3.69 0.56 1.44 -1.15 -4.24 115.22 105.73 2k4w n HIS 36 Ca 0.01 -0.96 -0.31 0.00 -2.01 0.00 0.00 57.72 54.44 2k4w n HIS 36 Cb 0.57 0.41 -0.05 0.00 0.12 0.00 0.00 29.99 31.04 2k4w n HIS 36 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2k4w s LEU 37 N -1.32 4.27 0.26 2.39 1.02 -1.13 -4.62 118.68 119.55 2k4w s LEU 37 Ca 0.15 0.57 0.08 0.00 0.02 0.00 0.00 54.13 54.96 2k4w s LEU 37 Cb 0.24 -3.29 -0.05 0.00 0.02 0.00 0.00 46.19 43.11 2k4w s LEU 37 CO -0.08 0.06 -0.11 -1.59 0.02 0.00 0.00 176.35 174.64 2k4w s LYS 38 N -2.66 1.52 0.00 1.70 0.00 -1.14 -0.02 119.74 119.14 2k4w s LYS 38 Ca 0.41 -1.73 0.00 0.00 0.00 0.00 0.00 55.97 54.65 2k4w s LYS 38 Cb -0.12 -1.30 0.00 0.00 0.00 0.00 0.00 37.83 36.41 2k4w s LYS 38 CO 0.25 0.15 0.00 0.00 0.00 0.00 0.00 175.35 175.75 2k4w n ALA 39 N -0.54 0.00 -2.78 0.59 0.00 -0.96 -4.79 120.51 112.02 2k4w n ALA 39 Ca -0.06 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.12 2k4w n ALA 39 Cb 0.62 -0.17 -0.06 0.00 0.00 0.00 0.00 19.45 19.84 2k4w n ALA 39 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2k4w s LEU 40 N 0.00 3.73 0.33 0.00 2.34 -0.99 -5.07 118.68 119.01 2k4w s LEU 40 Ca 0.00 -0.20 -0.29 0.00 0.06 0.00 0.00 54.13 53.71 2k4w s LEU 40 Cb 0.00 -2.33 -0.10 0.00 -0.56 0.00 0.00 46.19 43.20 2k4w s LEU 40 CO 0.00 0.05 1.26 -2.16 -1.06 0.00 0.00 176.35 174.44 2k4w s PRO 41 N -3.22 4.38 -0.20 1.48 0.04 -1.26 -4.35 135.00 131.86 2k4w s PRO 41 Ca 0.31 2.11 0.01 0.00 0.04 0.00 0.00 61.00 63.47 2k4w s PRO 41 Cb -0.09 -3.06 0.26 0.00 0.04 0.00 0.00 34.50 31.65 2k4w s PRO 41 CO 0.23 -0.13 1.51 -0.35 0.04 0.00 0.00 177.00 178.30 2k4w n PRO 42 N 0.80 1.55 0.00 0.56 -0.04 -1.26 -4.78 135.00 131.84 2k4w n PRO 42 Ca 0.00 -1.27 0.00 0.00 -0.04 0.00 0.00 63.50 62.19 2k4w n PRO 42 Cb 0.43 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 2k4w n PRO 42 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k4w n GLY 43 N -0.04 3.00 3.72 0.55 0.00 -1.26 -3.86 105.19 107.29 2k4w n GLY 43 Ca 0.25 -1.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.03 2k4w n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k4w s GLU 44 N 3.76 4.56 -0.14 1.61 8.01 -1.26 -1.34 118.70 133.90 2k4w s GLU 44 Ca 0.00 1.30 -0.06 0.00 0.01 0.00 0.00 54.97 56.22 2k4w s GLU 44 Cb 0.00 -3.43 -0.04 0.00 -4.31 0.00 0.00 34.13 26.35 2k4w s GLU 44 CO 0.00 0.06 0.08 -1.01 0.01 0.00 0.00 175.26 174.41 2k4w s HIS 45 N 0.64 3.37 0.96 1.61 3.76 -0.13 -1.74 115.29 123.76 2k4w s HIS 45 Ca 0.47 0.29 -0.11 0.00 -0.15 0.00 0.00 55.06 55.56 2k4w s HIS 45 Cb -0.21 -1.98 0.17 0.00 1.11 0.00 0.00 32.58 31.67 2k4w s HIS 45 CO 0.26 0.44 1.12 0.20 -0.85 0.00 0.00 174.74 175.92 2k4w s GLY 46 N -0.38 1.66 -0.12 -2.22 0.00 0.18 0.34 107.32 106.78 2k4w s GLY 46 Ca 0.10 0.46 -0.05 0.00 0.00 0.00 0.00 44.72 45.23 2k4w s GLY 46 CO 0.02 0.94 0.26 -0.12 0.00 0.00 0.00 173.10 174.19 2k4w s PHE 47 N -2.61 -0.40 0.31 1.90 5.36 -1.26 -0.94 117.98 120.33 2k4w s PHE 47 Ca 0.67 0.94 0.05 0.00 -0.96 0.00 0.00 56.93 57.63 2k4w s PHE 47 Cb -0.23 -0.02 -0.06 0.00 -0.34 0.00 0.00 43.02 42.37 2k4w s PHE 47 CO 0.59 -0.33 0.01 -1.01 -1.46 0.00 0.00 175.22 173.02 2k4w s HIS 48 N 2.15 1.97 -0.02 10.12 3.76 -1.20 -3.60 115.29 128.47 2k4w s HIS 48 Ca -0.01 -0.83 -0.03 0.00 -0.15 0.00 0.00 55.06 54.04 2k4w s HIS 48 Cb -0.12 -1.23 -0.04 0.00 1.11 0.00 0.00 32.58 32.31 2k4w s HIS 48 CO -0.09 0.14 0.17 0.42 -0.85 0.00 0.00 174.74 174.54 2k4w s ILE 49 N -3.15 5.39 0.22 0.60 1.01 -1.23 -2.13 121.20 121.91 2k4w s ILE 49 Ca 0.33 -0.15 0.09 0.00 0.00 0.00 0.00 60.65 60.92 2k4w s ILE 49 Cb 0.07 -3.50 -0.05 0.00 0.01 0.00 0.00 42.46 38.99 2k4w s ILE 49 CO 0.14 0.35 -0.17 -1.00 0.00 0.00 0.00 174.94 174.25 2k4w s HIS 50 N -1.29 1.94 0.40 3.97 3.76 -0.68 -3.98 115.29 119.40 2k4w s HIS 50 Ca 0.26 -0.47 0.17 0.00 -0.15 0.00 0.00 55.06 54.88 2k4w s HIS 50 Cb -0.13 -0.90 1.00 0.00 1.11 0.00 0.00 32.58 33.67 2k4w s HIS 50 CO 0.17 0.47 1.94 0.00 -0.85 0.00 0.00 174.74 176.47 2k4w h ALA 51 N 2.66 1.44 -4.31 -1.40 0.00 -0.98 -3.34 119.26 113.34 2k4w h ALA 51 Ca -0.40 -0.22 -0.29 0.00 0.00 0.00 0.00 54.91 54.00 2k4w h ALA 51 Cb 1.23 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 2k4w h ALA 51 CO 0.58 0.30 -0.23 0.09 0.00 0.00 0.00 179.25 180.00 2k4w n ASN 52 N -4.02 1.70 -0.81 0.00 3.02 0.46 -4.77 115.26 110.84 2k4w n ASN 52 Ca -0.02 -2.05 0.04 0.00 -0.03 0.00 0.00 54.58 52.52 2k4w n ASN 52 Cb 0.31 0.37 0.17 0.00 -0.61 0.00 0.00 39.78 40.03 2k4w n ASN 52 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k4w n GLY 53 N 1.33 4.60 3.34 7.41 0.00 -1.20 -1.28 105.19 119.38 2k4w n GLY 53 Ca -0.06 -1.30 0.01 0.00 0.00 0.00 0.00 46.02 44.67 2k4w n GLY 53 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k4w s SER 54 N -3.09 -1.14 -1.02 1.61 0.01 -1.22 -4.75 113.70 104.11 2k4w s SER 54 Ca 0.38 1.12 -0.23 0.00 1.31 0.00 0.00 55.95 58.52 2k4w s SER 54 Cb 0.37 2.12 -0.13 0.00 0.21 0.00 0.00 66.02 68.59 2k4w s SER 54 CO -0.08 -0.25 1.93 0.00 0.41 0.00 0.00 173.24 175.25 2k4w s GLN 56 N 6.25 2.85 0.34 0.00 -1.52 -1.26 -3.58 119.66 122.74 2k4w s GLN 56 Ca 0.66 -0.78 -0.26 0.00 -1.95 0.00 0.00 55.36 53.04 2k4w s GLN 56 Cb 0.04 -2.38 -0.10 0.00 -0.22 0.00 0.00 33.01 30.35 2k4w s GLN 56 CO 0.15 0.37 0.99 -1.25 -0.25 0.00 0.00 175.29 175.30 2k4w s PRO 57 N -0.11 4.45 0.11 2.91 0.04 -1.26 -0.41 135.00 140.73 2k4w s PRO 57 Ca -0.03 1.42 -0.30 0.00 0.04 0.00 0.00 61.00 62.12 2k4w s PRO 57 Cb -0.14 -2.74 -0.07 0.00 0.04 0.00 0.00 34.50 31.59 2k4w s PRO 57 CO 0.04 0.14 1.23 0.00 0.04 0.00 0.00 177.00 178.45 2k4w s ALA 58 N -1.60 3.44 -0.41 8.56 0.00 -1.24 -4.72 121.76 125.78 2k4w s ALA 58 Ca 0.52 0.92 -0.16 0.00 0.00 0.00 0.00 51.96 53.25 2k4w s ALA 58 Cb -0.20 -3.45 0.02 0.00 0.00 0.00 0.00 23.12 19.49 2k4w s ALA 58 CO 0.26 -0.44 0.34 0.42 0.00 0.00 0.00 175.76 176.33 2k4w s ILE 59 N 0.73 5.22 -0.07 0.00 -1.09 -1.26 -0.26 121.20 124.46 2k4w s ILE 59 Ca 0.58 -0.58 -0.29 0.00 -2.23 0.00 0.00 60.65 58.12 2k4w s ILE 59 Cb -0.32 -3.96 0.11 0.00 -1.58 0.00 0.00 42.46 36.71 2k4w s ILE 59 CO 0.32 -0.34 0.90 -0.75 -1.23 0.00 0.00 174.94 173.84 2k4w s LYS 60 N 1.80 0.76 -1.37 2.79 2.20 -0.80 -5.02 119.74 120.09 2k4w s LYS 60 Ca 0.07 -0.05 -0.17 0.00 -0.36 0.00 0.00 55.97 55.47 2k4w s LYS 60 Cb -0.18 0.36 0.02 0.00 -1.51 0.00 0.00 37.83 36.51 2k4w s LYS 60 CO 0.11 -0.29 0.37 -3.47 -0.36 0.00 0.00 175.35 171.72 2k4w n ASP 61 N 0.31 -1.68 0.00 1.43 2.03 -1.26 -1.67 116.55 115.71 2k4w n ASP 61 Ca -0.11 -1.26 0.00 0.00 0.52 0.00 0.00 54.79 53.94 2k4w n ASP 61 Cb 0.60 -1.82 0.00 0.00 -0.72 0.00 0.00 41.12 39.18 2k4w n ASP 61 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k4w n GLY 62 N -2.28 0.58 3.65 0.27 0.00 -1.26 -4.98 105.19 101.17 2k4w n GLY 62 Ca -0.22 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 2k4w n GLY 62 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2k4w s GLN 63 N -0.16 1.70 -0.27 1.61 -2.07 -0.67 -5.15 119.66 114.66 2k4w s GLN 63 Ca 0.00 -1.28 -0.03 0.00 -1.82 0.00 0.00 55.36 52.23 2k4w s GLN 63 Cb 0.00 0.51 0.02 0.00 -1.09 0.00 0.00 33.01 32.45 2k4w s GLN 63 CO 0.00 -0.73 -0.02 0.00 -1.32 0.00 0.00 175.29 173.22 2k4w s ALA 64 N -3.71 2.81 -1.36 2.60 0.00 -1.26 -1.91 121.76 118.92 2k4w s ALA 64 Ca 0.21 -1.49 -0.16 0.00 0.00 0.00 0.00 51.96 50.52 2k4w s ALA 64 Cb -0.02 -1.84 0.04 0.00 0.00 0.00 0.00 23.12 21.30 2k4w s ALA 64 CO 0.10 -0.89 2.02 0.28 0.00 0.00 0.00 175.76 177.27 2k4w n VAL 65 N 4.72 3.54 0.00 0.00 0.31 0.64 -4.82 118.33 122.70 2k4w n VAL 65 Ca -0.16 -3.35 0.00 0.00 -0.01 0.00 0.00 64.34 60.82 2k4w n VAL 65 Cb 0.47 -2.48 0.00 0.00 -0.91 0.00 0.00 33.84 30.91 2k4w n VAL 65 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2k4w n ALA 66 N 7.28 0.00 0.00 3.52 0.00 -1.26 -2.98 120.51 127.07 2k4w n ALA 66 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.95 2k4w n ALA 66 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 2k4w n ALA 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k4w n ALA 67 N 0.35 0.00 0.04 0.00 0.00 -1.26 -2.47 120.51 117.17 2k4w n ALA 67 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 2k4w n ALA 67 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 2k4w n ALA 67 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2k4w h GLU 68 N 0.00 0.30 0.00 0.00 4.57 -0.63 -3.37 114.58 115.45 2k4w h GLU 68 Ca 0.00 -0.52 0.00 0.00 -1.18 0.00 0.00 59.36 57.66 2k4w h GLU 68 Cb 0.00 0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 2k4w h GLU 68 CO 0.00 1.25 0.00 0.00 -1.18 0.00 0.00 179.01 179.08 2k4w n ALA 69 N -2.91 2.05 0.25 2.92 0.00 -0.71 -1.73 120.51 120.38 2k4w n ALA 69 Ca -0.24 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.27 2k4w n ALA 69 Cb 0.96 -1.11 0.63 0.00 0.00 0.00 0.00 19.45 19.93 2k4w n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k4w h ALA 70 N 2.42 1.20 0.00 0.00 0.00 -1.55 -3.24 119.26 118.09 2k4w h ALA 70 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2k4w h ALA 70 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2k4w h ALA 70 CO 0.00 0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.87 2k4w n GLY 71 N -0.42 -2.40 3.63 0.00 0.00 -0.71 -0.40 105.19 104.89 2k4w n GLY 71 Ca -0.01 -1.62 -0.29 0.00 0.00 0.00 0.00 46.02 44.11 2k4w n GLY 71 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k4w s GLY 72 N -1.22 1.55 0.00 -0.02 0.00 -1.26 -4.54 107.32 101.84 2k4w s GLY 72 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 44.72 44.33 2k4w s GLY 72 CO 0.00 0.28 1.70 -2.39 0.00 0.00 0.00 173.10 172.69 2k4w n HIS 73 N -4.39 0.00 -3.12 1.90 1.44 -1.26 -1.07 115.22 108.71 2k4w n HIS 73 Ca 0.05 -0.85 -0.06 0.00 -2.01 0.00 0.00 57.72 54.84 2k4w n HIS 73 Cb 0.57 -0.45 0.00 0.00 0.12 0.00 0.00 29.99 30.24 2k4w n HIS 73 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 2k4w n LEU 74 N 1.41 -6.27 0.00 2.39 7.94 -1.26 -3.86 117.00 117.35 2k4w n LEU 74 Ca 0.00 -0.05 0.00 0.00 -1.11 0.00 0.00 56.01 54.85 2k4w n LEU 74 Cb 0.46 -3.06 0.00 0.00 0.53 0.00 0.00 43.42 41.35 2k4w n LEU 74 CO 0.00 -1.16 0.05 -0.90 -1.11 0.00 0.00 177.39 174.27 2k4w n ASP 75 N -1.49 0.00 0.20 1.96 5.75 -1.26 -2.56 116.55 119.14 2k4w n ASP 75 Ca -0.02 -1.00 0.06 0.00 -0.01 0.00 0.00 54.79 53.82 2k4w n ASP 75 Cb 0.52 0.00 0.39 0.00 -1.03 0.00 0.00 41.12 41.00 2k4w n ASP 75 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 2k4w h PRO 76 N 0.00 0.00 -2.79 0.11 0.13 -1.98 -3.44 132.00 124.03 2k4w h PRO 76 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.00 2k4w h PRO 76 Cb 0.80 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 31.68 2k4w h PRO 76 CO 0.00 0.35 -0.28 1.14 -0.23 0.00 0.00 178.00 178.98 2k4w s GLN 77 N -3.78 0.43 0.00 0.86 -2.07 -1.26 -5.09 119.66 108.75 2k4w s GLN 77 Ca -0.01 0.57 0.00 0.00 -1.82 0.00 0.00 55.36 54.10 2k4w s GLN 77 Cb 0.12 0.17 0.00 0.00 -1.09 0.00 0.00 33.01 32.21 2k4w s GLN 77 CO 0.68 -0.07 0.00 0.27 -1.32 0.00 0.00 175.29 174.85 2k4w n ASN 78 N 3.13 0.00 0.11 12.60 0.23 -1.26 -4.99 115.26 125.08 2k4w n ASN 78 Ca -0.15 0.00 0.12 0.00 -0.53 0.00 0.00 54.58 54.02 2k4w n ASN 78 Cb 0.57 0.00 0.46 0.00 -2.08 0.00 0.00 39.78 38.73 2k4w n ASN 78 CO 0.00 0.00 0.00 1.07 -0.93 0.00 0.00 177.26 177.40 2k4w n THR 79 N 8.27 0.75 0.00 5.53 5.66 -1.26 -4.97 114.28 128.27 2k4w n THR 79 Ca 0.00 0.10 0.00 0.00 -3.05 0.00 0.00 64.05 61.10 2k4w n THR 79 Cb 0.00 -0.98 0.00 0.00 -1.55 0.00 0.00 70.33 67.80 2k4w n THR 79 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2k4w n GLY 80 N 0.37 2.82 3.72 1.09 0.00 -1.26 -5.02 105.19 106.90 2k4w n GLY 80 Ca 0.03 -0.72 -0.30 0.00 0.00 0.00 0.00 46.02 45.03 2k4w n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k4w s LYS 81 N 0.00 1.43 0.28 1.61 -2.85 -1.26 -4.92 119.74 114.02 2k4w s LYS 81 Ca 0.00 0.92 -0.29 0.00 -1.00 0.00 0.00 55.97 55.59 2k4w s LYS 81 Cb 0.00 -1.82 -0.10 0.00 -2.06 0.00 0.00 37.83 33.85 2k4w s LYS 81 CO 0.00 -2.15 1.34 -1.58 0.10 0.00 0.00 175.35 173.06 2k4w s HIS 82 N -2.91 3.11 0.60 1.78 5.65 -1.26 -4.15 115.29 118.10 2k4w s HIS 82 Ca 0.63 1.27 -0.15 0.00 0.25 0.00 0.00 55.06 57.07 2k4w s HIS 82 Cb -0.18 -3.69 -0.04 0.00 -1.18 0.00 0.00 32.58 27.49 2k4w s HIS 82 CO 0.57 -2.05 1.04 -2.00 -0.65 0.00 0.00 174.74 171.65 2k4w s GLU 83 N -1.00 3.42 0.00 2.88 2.12 -1.26 -4.84 118.70 120.02 2k4w s GLU 83 Ca 0.53 1.06 0.00 0.00 0.36 0.00 0.00 54.97 56.93 2k4w s GLU 83 Cb -0.39 -2.05 0.00 0.00 0.26 0.00 0.00 34.13 31.94 2k4w s GLU 83 CO 0.46 -0.72 0.00 0.41 -0.54 0.00 0.00 175.26 174.87 2k4w n GLY 84 N -1.45 2.22 0.23 -1.50 0.00 -1.26 -4.71 105.19 98.72 2k4w n GLY 84 Ca 0.08 -2.00 0.11 0.00 0.00 0.00 0.00 46.02 44.21 2k4w n GLY 84 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k4w h PRO 85 N 0.00 0.00 -3.58 1.61 0.13 -1.99 -3.46 132.00 124.71 2k4w h PRO 85 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.01 2k4w h PRO 85 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 2k4w h PRO 85 CO 0.00 0.19 0.01 -1.83 -0.23 0.00 0.00 178.00 176.14 2k4w s GLU 86 N -3.75 1.95 0.00 0.86 -1.05 -1.26 -5.11 118.70 110.34 2k4w s GLU 86 Ca -0.00 -1.50 0.00 0.00 -0.15 0.00 0.00 54.97 53.31 2k4w s GLU 86 Cb 0.11 0.52 0.00 0.00 -0.44 0.00 0.00 34.13 34.32 2k4w s GLU 86 CO 0.62 -0.85 0.00 0.41 0.95 0.00 0.00 175.26 176.39 2k4w n GLY 87 N -0.51 0.52 3.51 -3.83 0.00 -1.26 -5.06 105.19 98.55 2k4w n GLY 87 Ca -0.03 -1.38 -0.10 0.00 0.00 0.00 0.00 46.02 44.51 2k4w n GLY 87 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2k4w s GLN 88 N 0.00 0.86 0.00 1.61 -0.44 -1.26 -5.01 119.66 115.41 2k4w s GLN 88 Ca 0.00 -0.18 0.00 0.00 -2.50 0.00 0.00 55.36 52.68 2k4w s GLN 88 Cb 0.00 0.40 0.00 0.00 -1.64 0.00 0.00 33.01 31.77 2k4w s GLN 88 CO 0.00 -0.35 0.00 0.41 0.50 0.00 0.00 175.29 175.85 2k4w n GLY 89 N 0.03 -0.64 3.78 2.59 0.00 -1.26 -4.26 105.19 105.43 2k4w n GLY 89 Ca -0.11 -0.19 -0.38 0.00 0.00 0.00 0.00 46.02 45.34 2k4w n GLY 89 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k4w s HIS 90 N -2.85 3.68 0.34 1.61 0.09 -1.26 -4.58 115.29 112.31 2k4w s HIS 90 Ca 0.00 1.08 0.06 0.00 -0.00 0.00 0.00 55.06 56.20 2k4w s HIS 90 Cb 0.00 -2.49 0.61 0.00 -0.00 0.00 0.00 32.58 30.70 2k4w s HIS 90 CO 0.00 0.43 1.83 1.37 -0.00 0.00 0.00 174.74 178.37 2k4w h LEU 91 N 5.45 0.35 -0.79 0.89 8.10 -1.76 -2.63 115.31 124.92 2k4w h LEU 91 Ca -0.47 -0.09 0.00 0.00 0.11 0.00 0.00 57.88 57.43 2k4w h LEU 91 Cb 1.20 -0.09 0.00 0.00 -0.44 0.00 0.00 40.66 41.33 2k4w h LEU 91 CO 0.68 0.54 0.00 0.61 -4.11 0.00 0.00 178.44 176.16 2k4w n GLY 92 N -0.67 -0.05 3.72 0.17 0.00 -1.13 -4.80 105.19 102.44 2k4w n GLY 92 Ca -0.00 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 2k4w n GLY 92 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k4w s ASP 93 N -1.39 6.77 0.10 1.61 1.01 -0.99 -3.51 116.67 120.28 2k4w s ASP 93 Ca 0.26 2.40 -0.06 0.00 0.71 0.00 0.00 52.55 55.86 2k4w s ASP 93 Cb 0.13 -2.59 -0.02 0.00 1.01 0.00 0.00 42.92 41.46 2k4w s ASP 93 CO 0.20 -0.69 0.15 -0.76 0.21 0.00 0.00 175.17 174.28 2k4w s LEU 94 N 1.06 1.57 0.35 1.23 1.02 -1.24 -5.01 118.68 117.66 2k4w s LEU 94 Ca 0.66 -0.84 -0.25 0.00 0.02 0.00 0.00 54.13 53.71 2k4w s LEU 94 Cb -0.38 0.81 -0.10 0.00 0.02 0.00 0.00 46.19 46.54 2k4w s LEU 94 CO 0.31 -0.74 0.98 -2.16 0.02 0.00 0.00 176.35 174.76 2k4w s PRO 95 N -3.92 4.45 0.20 1.29 0.04 -1.26 -4.53 135.00 131.27 2k4w s PRO 95 Ca 0.11 1.40 -0.31 0.00 0.04 0.00 0.00 61.00 62.24 2k4w s PRO 95 Cb 0.05 -2.72 -0.10 0.00 0.04 0.00 0.00 34.50 31.78 2k4w s PRO 95 CO -0.07 0.14 1.49 0.14 0.04 0.00 0.00 177.00 178.75 2k4w s VAL 96 N -1.63 2.69 -1.19 -0.36 -7.23 -1.26 -4.33 120.40 107.10 2k4w s VAL 96 Ca 0.53 0.54 -0.21 0.00 -1.81 0.00 0.00 61.98 61.02 2k4w s VAL 96 Cb -0.20 -3.34 -0.02 0.00 0.56 0.00 0.00 36.38 33.38 2k4w s VAL 96 CO 0.25 0.06 1.84 -0.22 -0.31 0.00 0.00 175.10 176.72 2k4w s LEU 97 N 0.40 3.35 0.20 1.32 1.98 0.15 -4.88 118.68 121.21 2k4w s LEU 97 Ca 0.64 -1.82 -0.31 0.00 -2.89 0.00 0.00 54.13 49.75 2k4w s LEU 97 Cb -0.42 -2.58 -0.10 0.00 0.66 0.00 0.00 46.19 43.74 2k4w s LEU 97 CO 0.37 -2.31 1.55 -0.69 -1.89 0.00 0.00 176.35 173.38 2k4w s VAL 98 N 8.27 2.53 0.16 1.68 1.01 -1.26 -0.95 120.40 131.83 2k4w s VAL 98 Ca 0.62 0.40 0.07 0.00 0.00 0.00 0.00 61.98 63.07 2k4w s VAL 98 Cb 0.00 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 2k4w s VAL 98 CO 0.09 0.04 -0.03 0.68 0.00 0.00 0.00 175.10 175.88 2k4w s VAL 99 N 0.74 3.61 0.77 2.92 -7.23 -0.45 -4.27 120.40 116.50 2k4w s VAL 99 Ca 0.67 -1.40 -0.11 0.00 -1.81 0.00 0.00 61.98 59.33 2k4w s VAL 99 Cb -0.44 -2.79 0.06 0.00 0.56 0.00 0.00 36.38 33.77 2k4w s VAL 99 CO 0.36 -0.06 1.10 0.54 -0.31 0.00 0.00 175.10 176.73 2k4w s ASN 100 N -2.76 4.45 0.62 4.85 6.03 0.26 -4.30 114.94 124.09 2k4w s ASN 100 Ca 0.26 1.88 0.19 0.00 -1.03 0.00 0.00 52.86 54.16 2k4w s ASN 100 Cb -0.10 -2.53 1.04 0.00 -3.03 0.00 0.00 41.25 36.63 2k4w s ASN 100 CO 0.17 -2.07 1.57 -1.13 -2.03 0.00 0.00 177.10 173.61 2k4w h ASN 101 N -1.04 0.00 -0.43 3.54 -1.24 -1.90 -1.62 115.58 112.89 2k4w h ASN 101 Ca -0.44 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.57 2k4w h ASN 101 Cb 1.24 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.29 2k4w h ASN 101 CO 0.51 0.00 0.00 0.47 -1.29 0.00 0.00 177.43 177.12 2k4w n ASP 102 N -2.66 3.20 0.00 1.15 9.92 -1.26 -4.77 116.55 122.13 2k4w n ASP 102 Ca -0.01 -1.94 0.00 0.00 -0.53 0.00 0.00 54.79 52.31 2k4w n ASP 102 Cb 0.56 -0.28 0.00 0.00 -0.64 0.00 0.00 41.12 40.76 2k4w n ASP 102 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2k4w n GLY 103 N 1.00 1.20 2.83 0.44 0.00 -0.61 -4.99 105.19 105.07 2k4w n GLY 103 Ca 0.16 -0.18 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 2k4w n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k4w s ILE 104 N -2.00 0.02 -0.28 -0.61 1.01 -1.25 -2.27 121.20 115.82 2k4w s ILE 104 Ca 0.00 0.08 -0.23 0.00 0.00 0.00 0.00 60.65 60.50 2k4w s ILE 104 Cb 0.00 -0.08 -0.01 0.00 0.01 0.00 0.00 42.46 42.38 2k4w s ILE 104 CO 0.00 0.06 0.76 0.00 0.00 0.00 0.00 174.94 175.76 2k4w s ALA 105 N 0.53 3.58 0.00 9.38 0.00 0.98 -0.58 121.76 135.65 2k4w s ALA 105 Ca -0.05 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.57 2k4w s ALA 105 Cb -0.07 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.82 2k4w s ALA 105 CO -0.01 -1.03 0.00 -2.37 0.00 0.00 0.00 175.76 172.35 2k4w n THR 106 N 5.37 0.00 -2.73 0.00 5.66 -1.26 -2.85 114.28 118.48 2k4w n THR 106 Ca 0.03 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.61 2k4w n THR 106 Cb 0.48 1.05 -0.03 0.00 -1.55 0.00 0.00 70.33 70.29 2k4w n THR 106 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 2k4w s GLU 107 N 0.00 4.15 0.00 1.09 0.41 -1.26 -4.75 118.70 118.34 2k4w s GLU 107 Ca 0.00 1.10 -0.30 0.00 -0.41 0.00 0.00 54.97 55.36 2k4w s GLU 107 Cb 0.00 -3.68 -0.05 0.00 -1.78 0.00 0.00 34.13 28.62 2k4w s GLU 107 CO 0.00 -0.69 1.35 -1.25 -0.49 0.00 0.00 175.26 174.17 2k4w s PRO 108 N 3.24 4.31 0.32 0.39 0.04 -1.26 -4.30 135.00 137.74 2k4w s PRO 108 Ca 0.41 1.90 0.04 0.00 0.04 0.00 0.00 61.00 63.39 2k4w s PRO 108 Cb -0.14 -3.53 -0.04 0.00 0.04 0.00 0.00 34.50 30.83 2k4w s PRO 108 CO 0.10 -0.52 0.16 0.14 0.04 0.00 0.00 177.00 176.92 2k4w s VAL 109 N 2.19 0.39 -0.11 -0.36 -7.23 -0.33 -5.02 120.40 109.92 2k4w s VAL 109 Ca 0.62 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.68 2k4w s VAL 109 Cb -0.30 -2.50 0.03 0.00 0.56 0.00 0.00 36.38 34.17 2k4w s VAL 109 CO 0.26 0.00 0.30 -0.89 -0.31 0.00 0.00 175.10 174.46 2k4w s THR 110 N -3.52 0.00 -0.52 5.32 2.01 -1.26 -0.06 115.64 117.62 2k4w s THR 110 Ca 0.34 -0.00 -0.04 0.00 0.31 0.00 0.00 61.69 62.29 2k4w s THR 110 Cb 0.05 -0.43 0.14 0.00 0.01 0.00 0.00 72.50 72.26 2k4w s THR 110 CO 0.18 -0.00 0.34 0.00 -0.69 0.00 0.00 174.62 174.44 2k4w s ALA 111 N 0.15 3.39 -2.00 7.40 0.00 -0.03 -4.85 121.76 125.83 2k4w s ALA 111 Ca -0.00 -2.84 0.04 0.00 0.00 0.00 0.00 51.96 49.17 2k4w s ALA 111 Cb -0.02 -2.62 0.25 0.00 0.00 0.00 0.00 23.12 20.73 2k4w s ALA 111 CO 0.00 -1.95 0.82 -0.35 0.00 0.00 0.00 175.76 174.28 2k4w n PRO 112 N 4.22 0.62 0.14 0.00 -0.04 -1.12 -1.99 135.00 136.83 2k4w n PRO 112 Ca 0.01 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.52 2k4w n PRO 112 Cb 0.40 -1.11 0.04 0.00 -0.04 0.00 0.00 33.50 32.80 2k4w n PRO 112 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k4w h ARG 113 N 0.00 0.00 -4.87 0.54 2.47 -1.90 -3.45 114.38 107.18 2k4w h ARG 113 Ca 0.00 0.00 -0.42 0.00 -1.26 0.00 0.00 59.98 58.30 2k4w h ARG 113 Cb 0.00 0.00 -0.29 0.00 -1.65 0.00 0.00 29.97 28.03 2k4w h ARG 113 CO 0.00 0.33 -0.79 -0.51 0.56 0.00 0.00 179.97 179.56 2k4w s LEU 114 N -6.26 1.98 -0.03 3.04 1.02 -1.22 -4.97 118.68 112.24 2k4w s LEU 114 Ca 0.04 -0.19 0.14 0.00 0.02 0.00 0.00 54.13 54.13 2k4w s LEU 114 Cb 0.07 -0.55 -0.21 0.00 0.02 0.00 0.00 46.19 45.52 2k4w s LEU 114 CO 0.74 0.12 0.28 0.29 0.02 0.00 0.00 176.35 177.80 2k4w n LYS 115 N 2.89 0.61 -3.67 1.70 4.01 -1.26 -2.70 118.16 119.74 2k4w n LYS 115 Ca -0.14 -0.11 -0.13 0.00 -0.51 0.00 0.00 58.31 57.42 2k4w n LYS 115 Cb 0.56 -1.34 -0.06 0.00 -0.51 0.00 0.00 35.03 33.68 2k4w n LYS 115 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 2k4w s SER 116 N -3.75 -0.27 0.47 4.39 0.15 -1.26 -4.23 113.70 109.19 2k4w s SER 116 Ca -0.05 -0.04 0.15 0.00 0.70 0.00 0.00 55.95 56.71 2k4w s SER 116 Cb 0.08 0.42 1.12 0.00 -1.71 0.00 0.00 66.02 65.94 2k4w s SER 116 CO 0.58 -0.67 2.03 -0.07 1.20 0.00 0.00 173.24 176.31 2k4w h LEU 117 N 2.98 0.24 -1.11 3.45 -0.00 -1.97 -2.00 115.31 116.90 2k4w h LEU 117 Ca -0.31 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.57 2k4w h LEU 117 Cb 1.21 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 41.82 2k4w h LEU 117 CO 0.44 0.15 0.00 -0.90 -0.00 0.00 0.00 178.44 178.13 2k4w n ASP 118 N -4.47 0.60 0.26 -0.43 5.75 -1.26 -0.67 116.55 116.33 2k4w n ASP 118 Ca 0.06 0.72 0.16 0.00 -0.01 0.00 0.00 54.79 55.72 2k4w n ASP 118 Cb 0.31 -0.82 0.56 0.00 -1.03 0.00 0.00 41.12 40.13 2k4w n ASP 118 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 2k4w h GLU 119 N 0.00 0.00 0.00 0.11 5.08 -1.79 -3.37 114.58 114.61 2k4w h GLU 119 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k4w h GLU 119 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2k4w h GLU 119 CO 0.00 0.02 -0.02 1.33 -1.00 0.00 0.00 179.01 179.34 2k4w n VAL 120 N -3.11 0.24 0.27 3.13 0.24 0.16 -4.86 118.33 114.40 2k4w n VAL 120 Ca 0.01 -0.24 0.10 0.00 -2.04 0.00 0.00 64.34 62.17 2k4w n VAL 120 Cb 0.36 0.86 0.42 0.00 -1.47 0.00 0.00 33.84 34.02 2k4w n VAL 120 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 2k4w h LYS 121 N 0.00 0.00 -0.07 7.34 2.10 -1.39 -2.22 116.57 122.33 2k4w h LYS 121 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2k4w h LYS 121 Cb 0.91 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.24 2k4w h LYS 121 CO 0.00 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.05 2k4w n ASP 122 N -2.81 2.12 -4.52 7.07 5.75 -1.26 -4.71 116.55 118.19 2k4w n ASP 122 Ca 0.02 -1.92 -0.24 0.00 -0.01 0.00 0.00 54.79 52.63 2k4w n ASP 122 Cb 0.76 -0.05 -0.11 0.00 -1.03 0.00 0.00 41.12 40.70 2k4w n ASP 122 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2k4w s LYS 123 N -0.93 1.76 0.25 0.11 1.02 -0.84 -3.26 119.74 117.85 2k4w s LYS 123 Ca 0.05 -1.96 0.11 0.00 0.02 0.00 0.00 55.97 54.19 2k4w s LYS 123 Cb 0.03 -1.33 -0.05 0.00 -0.52 0.00 0.00 37.83 35.96 2k4w s LYS 123 CO 0.03 -0.04 -0.12 0.00 -0.92 0.00 0.00 175.35 174.30 2k4w s ALA 124 N -2.93 2.89 0.14 5.17 0.00 -0.40 -1.05 121.76 125.58 2k4w s ALA 124 Ca 0.34 -1.71 0.11 0.00 0.00 0.00 0.00 51.96 50.70 2k4w s ALA 124 Cb 0.07 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.64 2k4w s ALA 124 CO 0.16 0.33 -0.24 -0.51 0.00 0.00 0.00 175.76 175.49 2k4w s LEU 125 N -3.34 2.44 -0.01 0.00 1.02 -0.21 -1.69 118.68 116.89 2k4w s LEU 125 Ca 0.28 -0.73 0.04 0.00 0.02 0.00 0.00 54.13 53.75 2k4w s LEU 125 Cb -0.06 -1.29 -0.01 0.00 0.02 0.00 0.00 46.19 44.85 2k4w s LEU 125 CO 0.16 0.17 -0.13 -0.04 0.02 0.00 0.00 176.35 176.53 2k4w s MET 126 N -2.20 1.04 -0.57 1.70 -1.94 -0.91 -1.70 119.30 114.72 2k4w s MET 126 Ca 0.16 -0.45 -0.24 0.00 -1.71 0.00 0.00 55.69 53.46 2k4w s MET 126 Cb -0.10 -1.00 0.05 0.00 2.01 0.00 0.00 34.83 35.79 2k4w s MET 126 CO 0.08 0.26 0.94 0.42 -0.01 0.00 0.00 175.02 176.71 2k4w s ILE 127 N -0.26 4.38 0.45 2.53 1.01 0.25 -3.28 121.20 126.29 2k4w s ILE 127 Ca 0.04 0.15 -0.21 0.00 0.00 0.00 0.00 60.65 60.63 2k4w s ILE 127 Cb -0.05 -4.56 -0.10 0.00 0.01 0.00 0.00 42.46 37.76 2k4w s ILE 127 CO -0.00 -1.18 0.99 -1.00 0.00 0.00 0.00 174.94 173.75 2k4w s HIS 128 N 3.96 3.18 0.12 3.97 3.76 -0.11 -0.52 115.29 129.65 2k4w s HIS 128 Ca 0.29 1.60 -0.18 0.00 -0.15 0.00 0.00 55.06 56.61 2k4w s HIS 128 Cb -0.13 -2.94 -0.04 0.00 1.11 0.00 0.00 32.58 30.58 2k4w s HIS 128 CO 0.17 -0.41 1.68 0.28 -0.85 0.00 0.00 174.74 175.62 2k4w h VAL 129 N 1.76 1.16 -1.77 -0.90 2.07 -0.87 -3.05 116.25 114.64 2k4w h VAL 129 Ca -0.49 -0.48 -0.60 0.00 0.82 0.00 0.00 66.70 65.94 2k4w h VAL 129 Cb 1.20 0.91 -0.13 0.00 -1.52 0.00 0.00 31.29 31.75 2k4w h VAL 129 CO 0.60 0.17 -0.59 -0.83 0.02 0.00 0.00 177.57 176.94 2k4w s GLY 130 N -2.77 2.48 0.63 2.17 0.00 -1.26 -4.70 107.32 103.86 2k4w s GLY 130 Ca -0.13 -2.06 -0.18 0.00 0.00 0.00 0.00 44.72 42.35 2k4w s GLY 130 CO 0.73 -2.05 1.21 -0.32 0.00 0.00 0.00 173.10 172.67 2k4w s GLY 131 N -3.68 2.65 -0.02 0.20 0.00 -0.71 -0.65 107.32 105.10 2k4w s GLY 131 Ca 0.32 0.98 0.09 0.00 0.00 0.00 0.00 44.72 46.12 2k4w s GLY 131 CO 0.16 1.38 0.19 1.34 0.00 0.00 0.00 173.10 176.16 2k4w n ASP 132 N -1.87 2.79 0.00 1.64 2.03 -1.26 -4.43 116.55 115.45 2k4w n ASP 132 Ca 0.14 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.46 2k4w n ASP 132 Cb 0.50 1.34 0.11 0.00 -0.72 0.00 0.00 41.12 42.34 2k4w n ASP 132 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2k4w n ASN 133 N -1.91 0.00 -2.76 1.67 6.94 -1.26 -2.70 115.26 115.24 2k4w n ASN 133 Ca -0.04 -1.43 -0.28 0.00 -0.02 0.00 0.00 54.58 52.82 2k4w n ASN 133 Cb 0.33 0.00 -0.09 0.00 -2.36 0.00 0.00 39.78 37.66 2k4w n ASN 133 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 2k4w n MET 134 N -0.57 3.03 -0.29 -3.83 2.81 -1.26 -4.81 117.12 112.19 2k4w n MET 134 Ca 0.03 -1.82 -0.03 0.00 -1.81 0.00 0.00 57.70 54.07 2k4w n MET 134 Cb 0.01 -2.44 0.01 0.00 -0.71 0.00 0.00 33.22 30.10 2k4w n MET 134 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 2k4w n SER 135 N 2.89 4.06 -0.19 7.83 7.64 -1.26 -4.21 113.62 130.38 2k4w n SER 135 Ca 0.62 -2.30 0.06 0.00 1.01 0.00 0.00 58.87 58.27 2k4w n SER 135 Cb 0.52 -0.76 0.09 0.00 -1.01 0.00 0.00 64.21 63.05 2k4w n SER 135 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2k4w n ASP 136 N 0.72 1.61 -3.82 6.43 2.03 -1.26 -4.84 116.55 117.42 2k4w n ASP 136 Ca 0.05 -2.69 -0.11 0.00 0.52 0.00 0.00 54.79 52.57 2k4w n ASP 136 Cb 0.57 -0.34 -0.08 0.00 -0.72 0.00 0.00 41.12 40.55 2k4w n ASP 136 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k4w s GLN 137 N -1.91 0.71 0.00 -0.67 -2.07 -1.26 -5.05 119.66 109.41 2k4w s GLN 137 Ca 0.21 -0.59 0.06 0.00 -1.82 0.00 0.00 55.36 53.22 2k4w s GLN 137 Cb 0.18 0.30 0.34 0.00 -1.09 0.00 0.00 33.01 32.74 2k4w s GLN 137 CO 0.02 -0.21 0.92 -0.35 -1.32 0.00 0.00 175.29 174.35 2k4w n PRO 138 N 0.69 0.65 -3.56 9.60 -0.04 -1.26 -4.33 135.00 136.75 2k4w n PRO 138 Ca -0.19 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.86 2k4w n PRO 138 Cb 0.59 -1.14 -0.09 0.00 -0.04 0.00 0.00 33.50 32.83 2k4w n PRO 138 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2k4w s LYS 139 N -2.00 2.47 0.93 0.54 -0.14 -1.26 -5.10 119.74 115.17 2k4w s LYS 139 Ca 0.09 -1.79 -0.12 0.00 -1.36 0.00 0.00 55.97 52.79 2k4w s LYS 139 Cb 0.04 -3.91 0.15 0.00 -1.68 0.00 0.00 37.83 32.42 2k4w s LYS 139 CO 0.07 -1.19 1.09 -1.25 -0.76 0.00 0.00 175.35 173.31 2k4w s PRO 140 N 1.32 0.97 -1.46 -1.68 0.04 -1.26 -3.28 135.00 129.65 2k4w s PRO 140 Ca 0.06 0.70 0.00 0.00 0.04 0.00 0.00 61.00 61.80 2k4w s PRO 140 Cb -0.26 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.50 2k4w s PRO 140 CO -0.01 -2.41 0.00 1.28 0.04 0.00 0.00 177.00 175.90 2k4w n LEU 141 N -3.98 -1.57 0.00 -3.56 4.77 -1.26 -2.43 117.00 108.96 2k4w n LEU 141 Ca 0.06 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 2k4w n LEU 141 Cb 0.56 -2.35 0.00 0.00 -2.33 0.00 0.00 43.42 39.30 2k4w n LEU 141 CO 0.56 -0.35 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 2k4w n GLY 142 N -1.02 0.45 1.67 -0.72 0.00 -1.10 -0.97 105.19 103.51 2k4w n GLY 142 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2k4w n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4w n GLY 143 N -1.83 2.38 0.74 -0.02 0.00 -1.02 -4.82 105.19 100.62 2k4w n GLY 143 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2k4w n GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4w n GLY 144 N -2.00 1.74 0.17 -0.02 0.00 -0.14 -4.53 105.19 100.40 2k4w n GLY 144 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 2k4w n GLY 144 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2k4w h GLY 145 N 4.51 0.00 -2.55 -0.02 0.00 -1.79 -3.27 103.07 99.96 2k4w h GLY 145 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.82 2k4w h GLY 145 CO 0.00 0.00 0.48 -0.51 0.00 0.00 0.00 176.54 176.51 2k4w s THR 146 N -3.39 3.04 -0.18 4.70 -4.23 -1.26 -4.93 115.64 109.39 2k4w s THR 146 Ca 0.04 0.74 -0.08 0.00 -1.18 0.00 0.00 61.69 61.21 2k4w s THR 146 Cb 0.09 -3.36 -0.04 0.00 1.34 0.00 0.00 72.50 70.53 2k4w s THR 146 CO 0.44 -0.05 0.10 0.00 -0.54 0.00 0.00 174.62 174.58 2k4w s ARG 147 N -2.87 3.96 -0.06 3.99 3.03 -1.26 -0.56 118.95 125.17 2k4w s ARG 147 Ca 0.67 -0.25 -0.20 0.00 2.03 0.00 0.00 55.73 57.98 2k4w s ARG 147 Cb -0.28 -3.29 -0.30 0.00 -1.03 0.00 0.00 34.95 30.04 2k4w s ARG 147 CO 0.34 0.38 0.79 -0.92 -1.13 0.00 0.00 175.30 174.76 2k4w h TYR 148 N 6.35 0.53 -3.95 5.89 3.20 -1.05 -3.42 116.97 124.53 2k4w h TYR 148 Ca -0.42 -0.39 -0.13 0.00 3.14 0.00 0.00 58.73 60.93 2k4w h TYR 148 Cb 1.17 -0.02 -0.17 0.00 1.54 0.00 0.00 36.73 39.25 2k4w h TYR 148 CO 0.60 1.40 -0.59 0.00 -1.64 0.00 0.00 178.16 177.94 2k4w s ALA 149 N -2.45 0.11 0.02 1.82 0.00 -0.78 -1.75 121.76 118.73 2k4w s ALA 149 Ca -0.15 -0.74 -0.05 0.00 0.00 0.00 0.00 51.96 51.01 2k4w s ALA 149 Cb 0.02 0.25 -0.01 0.00 0.00 0.00 0.00 23.12 23.39 2k4w s ALA 149 CO 0.81 -0.32 0.09 0.00 0.00 0.00 0.00 175.76 176.35 2k4w s GLY 151 N -1.59 -0.52 0.15 0.00 0.00 -0.69 -0.90 107.32 103.77 2k4w s GLY 151 Ca -0.13 1.49 -0.07 0.00 0.00 0.00 0.00 44.72 46.01 2k4w s GLY 151 CO -0.00 1.01 0.43 0.54 0.00 0.00 0.00 173.10 175.07 2k4w s VAL 152 N -1.11 5.09 0.20 1.40 0.11 -1.26 -1.05 120.40 123.78 2k4w s VAL 152 Ca -0.09 0.23 -0.14 0.00 -2.93 0.00 0.00 61.98 59.06 2k4w s VAL 152 Cb -0.00 -3.63 -0.07 0.00 -1.53 0.00 0.00 36.38 31.15 2k4w s VAL 152 CO 0.08 0.05 0.59 -0.63 -3.33 0.00 0.00 175.10 171.87 2k4w s ILE 153 N -1.65 4.82 -0.10 7.04 1.01 -0.21 -4.79 121.20 127.31 2k4w s ILE 153 Ca 0.41 0.79 0.01 0.00 0.00 0.00 0.00 60.65 61.86 2k4w s ILE 153 Cb -0.12 -3.70 0.01 0.00 0.01 0.00 0.00 42.46 38.66 2k4w s ILE 153 CO 0.22 0.09 0.53 0.29 0.00 0.00 0.00 174.94 176.07