#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 -0.35 -0.25 0.00 0.01 -1.26 -1.15 113.70 110.70 2k4w s SER 2 Ca 0.00 0.32 -0.11 0.00 1.31 0.00 0.00 55.95 57.48 2k4w s SER 2 Cb 0.00 0.30 0.10 0.00 0.21 0.00 0.00 66.02 66.63 2k4w s SER 2 CO 0.00 -0.37 0.57 -0.70 0.41 0.00 0.00 173.24 173.15 2k4w s GLU 3 N -1.43 0.52 -0.99 12.44 2.56 0.54 -4.98 118.70 127.37 2k4w s GLU 3 Ca -0.00 1.20 -0.21 0.00 0.00 0.00 0.00 54.97 55.96 2k4w s GLU 3 Cb -0.01 0.43 0.09 0.00 2.00 0.00 0.00 34.13 36.64 2k4w s GLU 3 CO -0.00 -0.19 1.32 0.21 -0.56 0.00 0.00 175.26 176.04 2k4w s LYS 4 N 2.28 3.62 -0.32 4.30 2.20 -1.26 -0.58 119.74 129.98 2k4w s LYS 4 Ca -0.07 -1.44 -0.23 0.00 -0.36 0.00 0.00 55.97 53.87 2k4w s LYS 4 Cb -0.10 -5.17 0.00 0.00 -1.51 0.00 0.00 37.83 31.05 2k4w s LYS 4 CO -0.17 -2.02 0.77 0.08 -0.36 0.00 0.00 175.35 173.65 2k4w s VAL 5 N 3.93 4.79 -0.39 4.02 1.01 0.29 -4.89 120.40 129.16 2k4w s VAL 5 Ca 0.41 1.06 -0.28 0.00 0.00 0.00 0.00 61.98 63.16 2k4w s VAL 5 Cb -0.02 -4.15 -0.01 0.00 0.00 0.00 0.00 36.38 32.21 2k4w s VAL 5 CO -0.09 -0.29 1.63 -0.83 0.00 0.00 0.00 175.10 175.52 2k4w s GLY 6 N 1.68 0.88 -0.00 4.51 0.00 -1.26 -1.76 107.32 111.36 2k4w s GLY 6 Ca 0.31 -0.02 -0.14 0.00 0.00 0.00 0.00 44.72 44.88 2k4w s GLY 6 CO 0.14 3.05 0.38 1.06 0.00 0.00 0.00 173.10 177.73 2k4w s MET 7 N 5.46 3.86 0.13 2.90 -1.94 -1.20 -4.47 119.30 124.03 2k4w s MET 7 Ca 0.70 0.34 0.10 0.00 -1.71 0.00 0.00 55.69 55.13 2k4w s MET 7 Cb -0.18 -3.20 -0.04 0.00 2.01 0.00 0.00 34.83 33.43 2k4w s MET 7 CO 0.32 0.69 -0.25 -0.80 -0.01 0.00 0.00 175.02 174.97 2k4w s ASN 8 N -1.13 3.14 -0.97 3.03 -0.87 0.60 -3.93 114.94 114.81 2k4w s ASN 8 Ca 0.24 -0.75 -0.21 0.00 -1.57 0.00 0.00 52.86 50.57 2k4w s ASN 8 Cb -0.16 -0.20 -0.11 0.00 -0.02 0.00 0.00 41.25 40.76 2k4w s ASN 8 CO 0.13 0.14 1.94 0.18 -2.57 0.00 0.00 177.10 176.92 2k4w n LEU 9 N 0.89 4.07 -4.68 0.60 4.77 0.85 -1.59 117.00 121.90 2k4w n LEU 9 Ca -0.18 -3.13 -0.42 0.00 -0.03 0.00 0.00 56.01 52.25 2k4w n LEU 9 Cb 0.53 -1.37 -0.03 0.00 -2.33 0.00 0.00 43.42 40.23 2k4w n LEU 9 CO 0.23 -0.63 1.21 0.68 -1.33 0.00 0.00 177.39 177.55 2k4w s VAL 10 N 6.52 3.51 -0.50 4.08 -7.23 -1.26 -2.80 120.40 122.73 2k4w s VAL 10 Ca 0.60 0.88 0.06 0.00 -1.81 0.00 0.00 61.98 61.71 2k4w s VAL 10 Cb 0.10 -3.57 0.22 0.00 0.56 0.00 0.00 36.38 33.68 2k4w s VAL 10 CO 0.11 -0.01 0.82 1.07 -0.31 0.00 0.00 175.10 176.78 2k4w n THR 11 N 4.79 0.00 0.00 5.32 5.66 -0.48 -4.80 114.28 124.78 2k4w n THR 11 Ca 0.14 -1.26 0.00 0.00 -3.05 0.00 0.00 64.05 59.88 2k4w n THR 11 Cb 0.43 1.27 0.00 0.00 -1.55 0.00 0.00 70.33 70.47 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 2.22 0.00 1.00 1.79 0.00 -1.26 -4.32 120.51 119.94 2k4w n ALA 12 Ca 0.13 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.68 2k4w n ALA 12 Cb 0.60 0.00 0.55 0.00 0.00 0.00 0.00 19.45 20.60 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 0.00 0.25 0.00 0.00 3.00 -1.26 -4.80 117.38 114.57 2k4w n GLN 13 Ca 0.00 0.08 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 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 0.67 0.41 3.66 1.08 0.00 -1.26 -5.01 105.19 104.74 2k4w n GLY 14 Ca 0.09 -2.29 -0.47 0.00 0.00 0.00 0.00 46.02 43.36 2k4w n GLY 14 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2k4w n VAL 15 N 0.21 0.01 -0.07 1.61 0.31 -1.26 -1.38 118.33 117.77 2k4w n VAL 15 Ca 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2k4w n VAL 15 Cb 0.00 -1.46 0.00 0.00 -0.91 0.00 0.00 33.84 31.47 2k4w n VAL 15 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2k4w n GLY 16 N 3.33 2.18 3.93 2.92 0.00 -1.12 -4.91 105.19 111.53 2k4w n GLY 16 Ca 0.17 -1.75 -0.25 0.00 0.00 0.00 0.00 46.02 44.19 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 4.93 2.66 0.47 1.61 -2.07 -1.26 -4.71 119.66 121.29 2k4w s GLN 17 Ca 0.00 -0.26 0.08 0.00 -1.82 0.00 0.00 55.36 53.36 2k4w s GLN 17 Cb 0.00 -2.31 0.02 0.00 -1.09 0.00 0.00 33.01 29.63 2k4w s GLN 17 CO 0.00 -0.81 0.54 0.45 -1.32 0.00 0.00 175.29 174.15 2k4w s SER 18 N -4.38 5.23 0.00 12.60 0.15 -1.26 -0.11 113.70 125.93 2k4w s SER 18 Ca 0.56 -0.71 0.00 0.00 0.70 0.00 0.00 55.95 56.49 2k4w s SER 18 Cb -0.10 -0.29 0.00 0.00 -1.71 0.00 0.00 66.02 63.92 2k4w s SER 18 CO 0.43 -0.90 0.04 2.30 1.20 0.00 0.00 173.24 176.31 2k4w n ILE 19 N -1.84 0.00 0.00 6.45 -5.35 -1.25 -4.93 119.36 112.44 2k4w n ILE 19 Ca 0.07 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.55 2k4w n ILE 19 Cb 0.61 1.02 0.00 0.00 -1.74 0.00 0.00 39.64 39.53 2k4w n ILE 19 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2k4w n GLY 20 N 0.00 1.01 3.45 3.28 0.00 -1.26 -1.83 105.19 109.84 2k4w n GLY 20 Ca 0.00 -1.96 -0.22 0.00 0.00 0.00 0.00 46.02 43.84 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 -1.23 1.70 -0.15 2.61 -4.23 -1.26 -3.27 115.64 109.81 2k4w s THR 21 Ca 0.00 -2.12 -0.03 0.00 -1.18 0.00 0.00 61.69 58.36 2k4w s THR 21 Cb 0.00 -2.53 -0.02 0.00 1.34 0.00 0.00 72.50 71.29 2k4w s THR 21 CO 0.00 -0.25 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.08 2k4w s VAL 22 N -2.97 3.62 -0.01 2.29 1.01 -0.72 -1.69 120.40 121.94 2k4w s VAL 22 Ca 0.31 -0.45 -0.28 0.00 0.00 0.00 0.00 61.98 61.56 2k4w s VAL 22 Cb 0.04 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 2k4w s VAL 22 CO 0.13 0.50 0.89 0.68 0.00 0.00 0.00 175.10 177.29 2k4w s VAL 23 N 0.43 4.88 -0.12 2.92 -7.23 0.38 -0.55 120.40 121.12 2k4w s VAL 23 Ca -0.06 1.86 -0.08 0.00 -1.81 0.00 0.00 61.98 61.89 2k4w s VAL 23 Cb -0.15 -4.23 -0.04 0.00 0.56 0.00 0.00 36.38 32.52 2k4w s VAL 23 CO 0.03 0.21 0.16 -0.63 -0.31 0.00 0.00 175.10 174.57 2k4w s ILE 24 N 0.81 5.46 -0.05 -0.62 1.01 0.26 -0.14 121.20 127.92 2k4w s ILE 24 Ca 0.47 0.26 0.00 0.00 0.00 0.00 0.00 60.65 61.38 2k4w s ILE 24 Cb -0.20 -3.43 0.02 0.00 0.01 0.00 0.00 42.46 38.86 2k4w s ILE 24 CO 0.25 0.60 -0.02 -0.62 0.00 0.00 0.00 174.94 175.15 2k4w s ASP 25 N -0.90 0.99 0.08 3.58 2.15 -0.27 -0.34 116.67 121.96 2k4w s ASP 25 Ca 0.15 -0.09 -0.20 0.00 0.43 0.00 0.00 52.55 52.84 2k4w s ASP 25 Cb -0.12 -0.39 -0.07 0.00 -0.30 0.00 0.00 42.92 42.04 2k4w s ASP 25 CO 0.04 -0.10 0.58 -1.83 -0.17 0.00 0.00 175.17 173.69 2k4w s GLU 26 N 1.23 4.22 0.35 4.34 -1.05 -0.30 -0.29 118.70 127.18 2k4w s GLU 26 Ca -0.06 0.76 -0.08 0.00 -0.15 0.00 0.00 54.97 55.44 2k4w s GLU 26 Cb -0.14 -3.24 0.03 0.00 -0.44 0.00 0.00 34.13 30.35 2k4w s GLU 26 CO -0.02 0.64 0.59 -2.37 0.95 0.00 0.00 175.26 175.05 2k4w n THR 27 N 1.71 0.00 0.28 1.83 5.66 -0.20 -4.49 114.28 119.07 2k4w n THR 27 Ca -0.10 -1.27 0.15 0.00 -3.05 0.00 0.00 64.05 59.78 2k4w n THR 27 Cb 0.51 0.96 0.80 0.00 -1.55 0.00 0.00 70.33 71.05 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 -0.65 1.09 4.81 -1.97 0.11 114.58 117.97 2k4w h GLU 28 Ca -0.28 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 2k4w h GLU 28 Cb 1.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.50 2k4w h GLU 28 CO 0.37 0.08 0.00 0.41 -0.73 0.00 0.00 179.01 179.14 2k4w n GLY 29 N -0.72 1.98 7.00 1.92 0.00 -1.26 -5.01 105.19 109.10 2k4w n GLY 29 Ca -0.02 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 0.66 0.48 3.60 -0.02 0.00 0.40 -2.08 105.19 108.22 2k4w n GLY 30 Ca 0.16 -0.89 -0.43 0.00 0.00 0.00 0.00 46.02 44.86 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 3.52 -0.55 0.99 1.43 -0.80 -1.03 118.68 122.25 2k4w s LEU 31 Ca 0.00 0.98 -0.28 0.00 -1.03 0.00 0.00 54.13 53.80 2k4w s LEU 31 Cb 0.00 -3.45 0.03 0.00 0.03 0.00 0.00 46.19 42.80 2k4w s LEU 31 CO 0.00 -1.62 1.15 -0.75 0.23 0.00 0.00 176.35 175.37 2k4w s LYS 32 N 5.39 3.56 -0.32 1.70 2.20 0.60 -1.60 119.74 131.27 2k4w s LYS 32 Ca 0.69 0.30 -0.19 0.00 -0.36 0.00 0.00 55.97 56.41 2k4w s LYS 32 Cb -0.17 -3.98 -0.01 0.00 -1.51 0.00 0.00 37.83 32.15 2k4w s LYS 32 CO 0.32 -1.57 0.58 0.12 -0.36 0.00 0.00 175.35 174.44 2k4w s PHE 33 N 4.72 3.20 -0.25 4.03 5.36 0.60 -1.12 117.98 134.51 2k4w s PHE 33 Ca 0.43 0.42 -0.00 0.00 -0.96 0.00 0.00 56.93 56.82 2k4w s PHE 33 Cb -0.08 -2.96 0.07 0.00 -0.34 0.00 0.00 43.02 39.72 2k4w s PHE 33 CO 0.27 -0.49 0.02 0.99 -1.46 0.00 0.00 175.22 174.54 2k4w s THR 34 N 2.52 1.19 0.46 0.12 2.01 0.80 -1.22 115.64 121.52 2k4w s THR 34 Ca 0.22 -1.21 -0.13 0.00 0.31 0.00 0.00 61.69 60.88 2k4w s THR 34 Cb -0.15 -1.66 -0.07 0.00 0.01 0.00 0.00 72.50 70.62 2k4w s THR 34 CO 0.12 -0.32 0.88 -2.16 -0.69 0.00 0.00 174.62 172.45 2k4w s PRO 35 N 1.52 3.86 -0.34 4.92 0.04 -1.26 -0.47 135.00 143.26 2k4w s PRO 35 Ca 0.01 0.71 0.16 0.00 0.04 0.00 0.00 61.00 61.91 2k4w s PRO 35 Cb -0.18 -2.26 0.44 0.00 0.04 0.00 0.00 34.50 32.54 2k4w s PRO 35 CO -0.12 -0.16 1.09 -2.39 0.04 0.00 0.00 177.00 175.47 2k4w n HIS 36 N -1.46 0.08 -4.05 0.56 1.44 -0.68 -4.04 115.22 107.07 2k4w n HIS 36 Ca 0.04 -2.47 -0.30 0.00 -2.01 0.00 0.00 57.72 52.99 2k4w n HIS 36 Cb 0.54 0.23 -0.06 0.00 0.12 0.00 0.00 29.99 30.82 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 -3.23 3.81 -0.08 2.39 1.02 -1.14 -4.24 118.68 117.22 2k4w s LEU 37 Ca 0.25 -0.03 0.12 0.00 0.02 0.00 0.00 54.13 54.49 2k4w s LEU 37 Cb 0.43 -2.47 0.21 0.00 0.02 0.00 0.00 46.19 44.37 2k4w s LEU 37 CO -0.01 0.15 1.10 2.29 0.02 0.00 0.00 176.35 179.91 2k4w n LYS 38 N 0.30 0.70 -2.98 1.70 2.85 -0.76 -0.53 118.16 119.44 2k4w n LYS 38 Ca -0.08 -1.99 -0.06 0.00 -1.05 0.00 0.00 58.31 55.12 2k4w n LYS 38 Cb 0.52 -0.98 -0.01 0.00 -0.65 0.00 0.00 35.03 33.90 2k4w n LYS 38 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2k4w s ALA 39 N -1.54 -1.72 0.13 0.58 0.00 -0.96 -4.70 121.76 113.55 2k4w s ALA 39 Ca 0.21 -0.49 -0.04 0.00 0.00 0.00 0.00 51.96 51.64 2k4w s ALA 39 Cb 0.19 -2.57 -0.03 0.00 0.00 0.00 0.00 23.12 20.71 2k4w s ALA 39 CO -0.01 -2.20 0.12 -0.51 0.00 0.00 0.00 175.76 173.16 2k4w s LEU 40 N 1.08 1.58 0.34 0.00 1.02 -1.02 -4.92 118.68 116.76 2k4w s LEU 40 Ca 0.26 -1.07 -0.29 0.00 0.02 0.00 0.00 54.13 53.05 2k4w s LEU 40 Cb -0.02 0.58 -0.12 0.00 0.02 0.00 0.00 46.19 46.65 2k4w s LEU 40 CO -0.07 -0.77 1.46 -0.81 0.02 0.00 0.00 176.35 176.19 2k4w n PRO 41 N -0.11 2.52 -0.57 1.29 -0.04 -1.26 -4.40 135.00 132.42 2k4w n PRO 41 Ca -0.07 0.89 -0.04 0.00 -0.04 0.00 0.00 63.50 64.24 2k4w n PRO 41 Cb 0.63 -2.59 0.16 0.00 -0.04 0.00 0.00 33.50 31.66 2k4w n PRO 41 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2k4w n PRO 42 N 0.99 2.45 0.00 0.54 -0.04 -1.26 -4.84 135.00 132.83 2k4w n PRO 42 Ca 0.04 -1.68 0.00 0.00 -0.04 0.00 0.00 63.50 61.83 2k4w n PRO 42 Cb 0.37 -1.79 0.00 0.00 -0.04 0.00 0.00 33.50 32.04 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 -0.00 3.35 3.92 0.55 0.00 -1.26 -2.84 105.19 108.91 2k4w n GLY 43 Ca 0.23 -1.95 -0.29 0.00 0.00 0.00 0.00 46.02 44.01 2k4w n GLY 43 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k4w s GLU 44 N 2.89 3.53 -0.16 1.61 -1.05 -1.26 -0.61 118.70 123.65 2k4w s GLU 44 Ca 0.00 -0.31 -0.06 0.00 -0.15 0.00 0.00 54.97 54.45 2k4w s GLU 44 Cb 0.00 -2.89 0.07 0.00 -0.44 0.00 0.00 34.13 30.87 2k4w s GLU 44 CO 0.00 0.47 0.34 -1.01 0.95 0.00 0.00 175.26 176.01 2k4w s HIS 45 N -1.72 -0.57 0.58 4.83 3.76 -0.55 -4.69 115.29 116.92 2k4w s HIS 45 Ca 0.38 1.19 -0.18 0.00 -0.15 0.00 0.00 55.06 56.31 2k4w s HIS 45 Cb -0.12 0.14 -0.09 0.00 1.11 0.00 0.00 32.58 33.62 2k4w s HIS 45 CO 0.27 -0.38 0.47 0.41 -0.85 0.00 0.00 174.74 174.67 2k4w n GLY 46 N 5.06 -1.63 2.82 -2.22 0.00 -0.94 0.49 105.19 108.77 2k4w n GLY 46 Ca -0.12 -0.18 -0.20 0.00 0.00 0.00 0.00 46.02 45.51 2k4w n GLY 46 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2k4w s PHE 47 N -1.75 0.57 0.39 1.61 5.36 -1.10 -0.50 117.98 122.57 2k4w s PHE 47 Ca 0.68 -0.12 0.04 0.00 -0.96 0.00 0.00 56.93 56.58 2k4w s PHE 47 Cb -0.44 -0.64 -0.06 0.00 -0.34 0.00 0.00 43.02 41.54 2k4w s PHE 47 CO 0.55 -0.23 0.04 -1.01 -1.46 0.00 0.00 175.22 173.12 2k4w s HIS 48 N 1.40 2.12 -0.07 10.12 3.76 -0.48 -3.87 115.29 128.28 2k4w s HIS 48 Ca -0.04 -0.90 -0.03 0.00 -0.15 0.00 0.00 55.06 53.94 2k4w s HIS 48 Cb -0.13 -1.49 -0.04 0.00 1.11 0.00 0.00 32.58 32.03 2k4w s HIS 48 CO -0.03 0.16 0.06 0.42 -0.85 0.00 0.00 174.74 174.50 2k4w s ILE 49 N -3.02 4.74 0.12 0.60 1.01 -0.47 -0.86 121.20 123.32 2k4w s ILE 49 Ca 0.30 -0.18 0.06 0.00 0.00 0.00 0.00 60.65 60.82 2k4w s ILE 49 Cb 0.07 -3.07 -0.04 0.00 0.01 0.00 0.00 42.46 39.44 2k4w s ILE 49 CO 0.14 0.53 -0.14 -1.00 0.00 0.00 0.00 174.94 174.47 2k4w s HIS 50 N -1.02 1.41 0.18 3.97 3.76 0.06 -4.31 115.29 119.34 2k4w s HIS 50 Ca 0.17 -0.55 0.11 0.00 -0.15 0.00 0.00 55.06 54.64 2k4w s HIS 50 Cb -0.12 -0.74 0.23 0.00 1.11 0.00 0.00 32.58 33.07 2k4w s HIS 50 CO 0.06 0.14 1.53 0.00 -0.85 0.00 0.00 174.74 175.63 2k4w h ALA 51 N 3.57 0.79 -3.17 -1.40 0.00 -1.12 -2.01 119.26 115.91 2k4w h ALA 51 Ca -0.40 -0.61 -0.24 0.00 0.00 0.00 0.00 54.91 53.66 2k4w h ALA 51 Cb 1.20 -0.11 -0.22 0.00 0.00 0.00 0.00 17.79 18.66 2k4w h ALA 51 CO 0.50 0.84 -0.72 -0.80 0.00 0.00 0.00 179.25 179.06 2k4w s ASN 52 N -6.71 0.57 -1.33 0.00 0.01 -0.27 -4.60 114.94 102.62 2k4w s ASN 52 Ca -0.00 -0.47 -0.17 0.00 -0.71 0.00 0.00 52.86 51.51 2k4w s ASN 52 Cb 0.11 0.05 0.03 0.00 0.41 0.00 0.00 41.25 41.85 2k4w s ASN 52 CO 0.76 -0.21 2.01 0.61 -1.51 0.00 0.00 177.10 178.76 2k4w n GLY 53 N 1.69 3.40 2.73 0.66 0.00 -0.88 -4.39 105.19 108.41 2k4w n GLY 53 Ca -0.22 -1.47 -0.05 0.00 0.00 0.00 0.00 46.02 44.29 2k4w n GLY 53 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2k4w n SER 54 N 7.53 -2.75 -0.92 1.61 2.88 -1.26 -5.02 113.62 115.70 2k4w n SER 54 Ca 0.50 -2.51 0.00 0.00 -1.33 0.00 0.00 58.87 55.54 2k4w n SER 54 Cb 0.42 1.48 0.00 0.00 -0.75 0.00 0.00 64.21 65.36 2k4w n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k4w s GLN 56 N 0.26 4.15 0.47 0.00 -1.52 -1.26 -4.51 119.66 117.25 2k4w s GLN 56 Ca 0.00 0.46 -0.09 0.00 -1.95 0.00 0.00 55.36 53.78 2k4w s GLN 56 Cb 0.00 -3.32 -0.05 0.00 -0.22 0.00 0.00 33.01 29.42 2k4w s GLN 56 CO 0.00 0.44 0.83 -1.25 -0.25 0.00 0.00 175.29 175.06 2k4w s PRO 57 N -0.31 3.69 0.02 2.91 0.04 -1.26 -0.70 135.00 139.39 2k4w s PRO 57 Ca 0.25 0.46 -0.07 0.00 0.04 0.00 0.00 61.00 61.68 2k4w s PRO 57 Cb -0.16 -2.32 -0.05 0.00 0.04 0.00 0.00 34.50 32.01 2k4w s PRO 57 CO 0.13 -0.19 0.30 0.00 0.04 0.00 0.00 177.00 177.28 2k4w s ALA 58 N -2.63 3.82 -0.74 8.56 0.00 -1.26 -4.78 121.76 124.74 2k4w s ALA 58 Ca 0.51 -0.53 -0.02 0.00 0.00 0.00 0.00 51.96 51.92 2k4w s ALA 58 Cb -0.10 -2.11 0.29 0.00 0.00 0.00 0.00 23.12 21.20 2k4w s ALA 58 CO 0.39 0.63 2.19 -0.89 0.00 0.00 0.00 175.76 178.08 2k4w n ILE 59 N 1.10 3.52 -1.86 0.00 2.08 -1.26 -0.41 119.36 122.53 2k4w n ILE 59 Ca -0.11 -3.83 -0.41 0.00 0.56 0.00 0.00 62.75 58.96 2k4w n ILE 59 Cb 0.53 -1.31 -0.01 0.00 -0.75 0.00 0.00 39.64 38.10 2k4w n ILE 59 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 2k4w s LYS 60 N -3.50 4.16 -1.56 0.38 2.47 -1.12 -2.80 119.74 117.78 2k4w s LYS 60 Ca 0.54 2.50 0.00 0.00 -1.56 0.00 0.00 55.97 57.45 2k4w s LYS 60 Cb 0.43 -3.02 0.00 0.00 -1.46 0.00 0.00 37.83 33.78 2k4w s LYS 60 CO -0.33 -0.51 0.00 -3.47 0.16 0.00 0.00 175.35 171.20 2k4w n ASP 61 N 1.28 -4.75 -0.08 1.43 2.03 -1.26 -1.96 116.55 113.24 2k4w n ASP 61 Ca 0.04 0.21 -0.01 0.00 0.52 0.00 0.00 54.79 55.54 2k4w n ASP 61 Cb 0.39 -4.10 -0.00 0.00 -0.72 0.00 0.00 41.12 36.69 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 -0.69 0.50 3.05 0.27 0.00 -1.12 -5.03 105.19 102.16 2k4w n GLY 62 Ca -0.19 -0.35 -0.17 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.01 0.64 -0.58 1.61 -2.07 -0.83 -5.08 119.66 112.34 2k4w s GLN 63 Ca 0.00 -0.53 -0.27 0.00 -1.82 0.00 0.00 55.36 52.74 2k4w s GLN 63 Cb 0.00 -0.57 0.03 0.00 -1.09 0.00 0.00 33.01 31.38 2k4w s GLN 63 CO 0.00 0.14 1.15 0.00 -1.32 0.00 0.00 175.29 175.26 2k4w s ALA 64 N -0.70 3.02 -1.42 2.60 0.00 -1.26 -2.78 121.76 121.22 2k4w s ALA 64 Ca -0.01 -0.93 -0.11 0.00 0.00 0.00 0.00 51.96 50.91 2k4w s ALA 64 Cb -0.06 -3.99 -0.06 0.00 0.00 0.00 0.00 23.12 19.01 2k4w s ALA 64 CO 0.00 -2.63 2.60 0.28 0.00 0.00 0.00 175.76 176.02 2k4w n VAL 65 N 6.56 3.68 0.00 0.00 0.31 0.45 -4.83 118.33 124.50 2k4w n VAL 65 Ca 0.07 -2.43 0.00 0.00 -0.01 0.00 0.00 64.34 61.97 2k4w n VAL 65 Cb 0.49 -2.52 0.00 0.00 -0.91 0.00 0.00 33.84 30.90 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 4.46 0.00 0.00 3.52 0.00 -1.26 -4.25 120.51 122.98 2k4w n ALA 66 Ca 0.66 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.10 2k4w n ALA 66 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.71 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 0.00 0.00 -0.13 0.00 0.00 -1.26 -4.33 120.51 114.78 2k4w n ALA 67 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 2k4w n ALA 67 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 2k4w n ALA 67 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2k4w n GLU 68 N 0.00 0.59 0.00 0.00 2.13 0.13 -4.62 120.64 118.87 2k4w n GLU 68 Ca 0.00 0.23 0.07 0.00 0.66 0.00 0.00 57.16 58.12 2k4w n GLU 68 Cb 0.00 -1.48 0.40 0.00 0.27 0.00 0.00 31.44 30.63 2k4w n GLU 68 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k4w n ALA 69 N -4.00 2.17 1.58 4.31 0.00 -1.21 -3.56 120.51 119.80 2k4w n ALA 69 Ca -0.52 -0.08 0.15 0.00 0.00 0.00 0.00 53.44 52.99 2k4w n ALA 69 Cb 0.90 -1.22 0.80 0.00 0.00 0.00 0.00 19.45 19.94 2k4w n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k4w n ALA 70 N -0.85 2.52 0.00 0.00 0.00 -0.79 -4.21 120.51 117.18 2k4w n ALA 70 Ca 0.10 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2k4w n ALA 70 Cb 0.05 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.01 2k4w n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k4w n GLY 71 N 1.13 2.51 0.00 0.00 0.00 -1.23 -1.11 105.19 106.49 2k4w n GLY 71 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2k4w n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4w n GLY 72 N -2.00 -1.11 0.13 -0.02 0.00 -1.26 -4.60 105.19 96.33 2k4w n GLY 72 Ca 0.00 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.89 2k4w n GLY 72 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2k4w n HIS 73 N 0.00 0.00 -3.22 1.61 -0.00 -1.26 -2.19 115.22 110.16 2k4w n HIS 73 Ca 0.00 0.00 -0.15 0.00 0.46 0.00 0.00 57.72 58.03 2k4w n HIS 73 Cb 0.00 -0.02 0.07 0.00 -0.12 0.00 0.00 29.99 29.92 2k4w n HIS 73 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 2k4w n LEU 74 N -0.35 -4.85 -3.10 0.27 7.94 -1.26 -4.14 117.00 111.51 2k4w n LEU 74 Ca 0.00 -0.63 -0.26 0.00 -1.11 0.00 0.00 56.01 54.01 2k4w n LEU 74 Cb 0.06 -3.02 -0.05 0.00 0.53 0.00 0.00 43.42 40.94 2k4w n LEU 74 CO 0.00 0.19 0.08 -0.90 -1.11 0.00 0.00 177.39 175.65 2k4w n ASP 75 N -3.07 3.79 -0.17 1.96 5.75 -1.26 -3.56 116.55 119.99 2k4w n ASP 75 Ca -0.14 -3.52 -0.06 0.00 -0.01 0.00 0.00 54.79 51.05 2k4w n ASP 75 Cb 0.63 -0.60 0.10 0.00 -1.03 0.00 0.00 41.12 40.22 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 3.33 0.94 -1.58 0.11 0.13 -1.96 -3.46 132.00 129.51 2k4w h PRO 76 Ca 0.14 -0.26 0.07 0.00 -0.87 0.00 0.00 66.00 65.08 2k4w h PRO 76 Cb 0.60 -0.10 -0.26 0.00 0.13 0.00 0.00 31.00 31.36 2k4w h PRO 76 CO 0.78 0.91 0.46 1.14 -0.23 0.00 0.00 178.00 181.06 2k4w s GLN 77 N -5.05 0.48 0.00 0.86 -2.07 -1.26 -5.17 119.66 107.45 2k4w s GLN 77 Ca -0.11 0.59 0.00 0.00 -1.82 0.00 0.00 55.36 54.02 2k4w s GLN 77 Cb 0.14 0.23 0.00 0.00 -1.09 0.00 0.00 33.01 32.29 2k4w s GLN 77 CO 0.83 -0.06 0.00 0.27 -1.32 0.00 0.00 175.29 175.01 2k4w n ASN 78 N 2.31 0.00 0.05 12.60 0.23 -1.26 -5.00 115.26 124.19 2k4w n ASN 78 Ca -0.13 0.00 0.11 0.00 -0.53 0.00 0.00 54.58 54.03 2k4w n ASN 78 Cb 0.56 0.00 0.45 0.00 -2.08 0.00 0.00 39.78 38.71 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 9.00 0.62 0.00 5.53 5.66 -1.26 -4.96 114.28 128.86 2k4w n THR 79 Ca 0.00 0.08 0.00 0.00 -3.05 0.00 0.00 64.05 61.08 2k4w n THR 79 Cb 0.00 -0.82 0.00 0.00 -1.55 0.00 0.00 70.33 67.96 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 0.64 1.92 0.00 1.09 0.00 -1.26 -4.83 105.19 102.75 2k4w n GLY 80 Ca 0.05 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.10 2k4w n GLY 80 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2k4w n LYS 81 N 0.00 0.00 -0.39 1.61 2.85 -1.26 -4.94 118.16 116.03 2k4w n LYS 81 Ca 0.00 0.37 0.02 0.00 -1.05 0.00 0.00 58.31 57.65 2k4w n LYS 81 Cb 0.00 -1.50 -0.01 0.00 -0.65 0.00 0.00 35.03 32.87 2k4w n LYS 81 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 177.40 178.93 2k4w n HIS 82 N -1.49 -1.05 -3.70 5.58 -0.00 -1.26 -4.86 115.22 108.43 2k4w n HIS 82 Ca 0.02 0.57 -0.14 0.00 -0.00 0.00 0.00 57.72 58.17 2k4w n HIS 82 Cb 0.08 -1.15 -0.08 0.00 -0.00 0.00 0.00 29.99 28.84 2k4w n HIS 82 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.34 174.34 2k4w s GLU 83 N -4.00 0.73 0.00 1.57 2.56 -1.26 -4.58 118.70 113.72 2k4w s GLU 83 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.97 54.99 2k4w s GLU 83 Cb 0.00 0.33 0.00 0.00 2.00 0.00 0.00 34.13 36.46 2k4w s GLU 83 CO 0.00 -0.20 0.00 0.41 -0.56 0.00 0.00 175.26 174.91 2k4w n GLY 84 N 1.43 0.14 0.12 -1.50 0.00 -1.26 -4.73 105.19 99.38 2k4w n GLY 84 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 1.61 0.13 -1.97 -3.46 132.00 128.32 2k4w h PRO 85 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2k4w h PRO 85 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2k4w h PRO 85 CO 0.00 0.55 0.00 0.39 -0.23 0.00 0.00 178.00 178.71 2k4w n GLU 86 N -3.18 3.34 -0.35 0.86 1.02 -1.26 -5.06 120.64 116.00 2k4w n GLU 86 Ca -0.01 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.21 2k4w n GLU 86 Cb 0.80 0.00 0.24 0.00 -0.02 0.00 0.00 31.44 32.45 2k4w n GLU 86 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k4w n GLY 87 N 5.00 3.08 2.87 0.62 0.00 -1.26 -4.83 105.19 110.67 2k4w n GLY 87 Ca 0.00 -0.68 -0.40 0.00 0.00 0.00 0.00 46.02 44.94 2k4w n GLY 87 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2k4w n GLN 88 N 0.45 3.23 0.00 1.61 -0.06 -1.26 -4.94 117.38 116.41 2k4w n GLN 88 Ca 0.18 -3.73 0.00 0.00 -2.00 0.00 0.00 57.00 51.45 2k4w n GLN 88 Cb 0.66 -2.30 0.00 0.00 -4.06 0.00 0.00 30.24 24.53 2k4w n GLN 88 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2k4w n GLY 89 N -0.46 1.37 3.87 1.69 0.00 -1.26 -4.22 105.19 106.18 2k4w n GLY 89 Ca 0.53 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 46.14 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 0.15 3.51 -0.17 1.61 0.09 -1.26 -4.69 115.29 114.53 2k4w s HIS 90 Ca 0.00 0.79 0.26 0.00 -0.00 0.00 0.00 55.06 56.10 2k4w s HIS 90 Cb 0.00 -2.18 0.71 0.00 -0.00 0.00 0.00 32.58 31.11 2k4w s HIS 90 CO 0.00 0.41 1.74 1.37 -0.00 0.00 0.00 174.74 178.26 2k4w h LEU 91 N 3.13 0.00 0.00 0.89 8.10 -1.84 -3.09 115.31 122.50 2k4w h LEU 91 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.51 2k4w h LEU 91 Cb 1.18 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.40 2k4w h LEU 91 CO 0.69 0.08 0.00 0.61 -4.11 0.00 0.00 178.44 175.70 2k4w n GLY 92 N 0.66 -1.06 3.76 0.17 0.00 -1.26 -4.85 105.19 102.61 2k4w n GLY 92 Ca 0.02 -0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.21 7.31 0.24 1.61 1.01 -1.17 -1.37 116.67 122.10 2k4w s ASP 93 Ca 0.39 1.56 -0.19 0.00 0.71 0.00 0.00 52.55 55.02 2k4w s ASP 93 Cb 0.20 -2.49 0.02 0.00 1.01 0.00 0.00 42.92 41.66 2k4w s ASP 93 CO 0.38 0.08 0.61 -0.76 0.21 0.00 0.00 175.17 175.70 2k4w s LEU 94 N -0.46 -0.10 0.87 1.23 1.02 -1.25 -4.98 118.68 115.00 2k4w s LEU 94 Ca 0.38 -0.57 -0.13 0.00 0.02 0.00 0.00 54.13 53.83 2k4w s LEU 94 Cb -0.22 2.39 0.14 0.00 0.02 0.00 0.00 46.19 48.52 2k4w s LEU 94 CO 0.25 -1.20 1.23 -2.16 0.02 0.00 0.00 176.35 174.49 2k4w s PRO 95 N -3.91 1.36 -0.11 1.29 0.04 -1.26 -4.51 135.00 127.90 2k4w s PRO 95 Ca 0.12 -0.20 -0.27 0.00 0.04 0.00 0.00 61.00 60.68 2k4w s PRO 95 Cb -0.03 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.56 2k4w s PRO 95 CO 0.03 -1.94 0.90 0.08 0.04 0.00 0.00 177.00 176.11 2k4w s VAL 96 N -3.68 4.86 -0.94 -0.36 1.01 -1.26 -2.69 120.40 117.33 2k4w s VAL 96 Ca 0.68 1.83 -0.24 0.00 0.00 0.00 0.00 61.98 64.24 2k4w s VAL 96 Cb -0.07 -4.22 -0.01 0.00 0.00 0.00 0.00 36.38 32.08 2k4w s VAL 96 CO 0.50 0.06 1.73 -0.22 0.00 0.00 0.00 175.10 177.18 2k4w s LEU 97 N 1.80 3.31 0.05 3.92 1.98 0.18 -4.84 118.68 125.08 2k4w s LEU 97 Ca 0.44 -0.97 -0.31 0.00 -2.89 0.00 0.00 54.13 50.40 2k4w s LEU 97 Cb -0.18 -2.56 -0.07 0.00 0.66 0.00 0.00 46.19 44.04 2k4w s LEU 97 CO 0.17 -2.22 1.48 -0.69 -1.89 0.00 0.00 176.35 173.20 2k4w s VAL 98 N 7.91 3.37 0.31 1.68 1.01 -1.26 -1.49 120.40 131.93 2k4w s VAL 98 Ca 0.60 0.85 0.09 0.00 0.00 0.00 0.00 61.98 63.52 2k4w s VAL 98 Cb -0.04 -3.54 -0.05 0.00 0.00 0.00 0.00 36.38 32.75 2k4w s VAL 98 CO -0.04 0.02 -0.00 0.68 0.00 0.00 0.00 175.10 175.75 2k4w s VAL 99 N 2.12 2.93 0.43 2.92 -7.23 0.22 -4.55 120.40 117.25 2k4w s VAL 99 Ca 0.67 -1.97 -0.03 0.00 -1.81 0.00 0.00 61.98 58.85 2k4w s VAL 99 Cb -0.36 -2.77 -0.03 0.00 0.56 0.00 0.00 36.38 33.78 2k4w s VAL 99 CO 0.29 -0.28 0.69 0.54 -0.31 0.00 0.00 175.10 176.03 2k4w s ASN 100 N -3.69 6.22 0.38 4.85 2.20 -0.55 -4.19 114.94 120.15 2k4w s ASN 100 Ca 0.33 0.69 0.13 0.00 -0.94 0.00 0.00 52.86 53.08 2k4w s ASN 100 Cb -0.03 -2.09 0.73 0.00 -2.00 0.00 0.00 41.25 37.86 2k4w s ASN 100 CO 0.19 -0.49 1.31 -0.55 -2.94 0.00 0.00 177.10 174.62 2k4w h ASN 101 N 0.43 0.00 -0.03 3.54 -0.00 -1.84 -1.16 115.58 116.52 2k4w h ASN 101 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.82 2k4w h ASN 101 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.54 2k4w h ASN 101 CO 0.61 0.00 -0.09 -0.67 -0.00 0.00 0.00 177.43 177.28 2k4w n ASP 102 N -2.14 2.81 0.00 6.14 2.03 -1.26 -4.83 116.55 119.29 2k4w n ASP 102 Ca -0.01 -1.90 0.00 0.00 0.52 0.00 0.00 54.79 53.40 2k4w n ASP 102 Cb 0.39 0.09 0.00 0.00 -0.72 0.00 0.00 41.12 40.88 2k4w n ASP 102 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k4w n GLY 103 N 1.36 1.08 3.10 0.27 0.00 -0.44 -5.00 105.19 105.56 2k4w n GLY 103 Ca 0.13 -0.40 -0.22 0.00 0.00 0.00 0.00 46.02 45.53 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 1.07 -0.13 -0.61 1.01 -1.24 -2.27 121.20 117.02 2k4w s ILE 104 Ca 0.00 -0.59 0.01 0.00 0.00 0.00 0.00 60.65 60.06 2k4w s ILE 104 Cb 0.00 -0.89 -0.01 0.00 0.01 0.00 0.00 42.46 41.57 2k4w s ILE 104 CO 0.00 0.29 -0.15 0.00 0.00 0.00 0.00 174.94 175.08 2k4w s ALA 105 N -0.34 2.53 0.00 9.38 0.00 0.31 -1.49 121.76 132.15 2k4w s ALA 105 Ca 0.05 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.08 2k4w s ALA 105 Cb -0.05 -1.16 0.00 0.00 0.00 0.00 0.00 23.12 21.91 2k4w s ALA 105 CO -0.00 0.19 0.01 -2.37 0.00 0.00 0.00 175.76 173.59 2k4w n THR 106 N 3.64 0.00 -2.99 0.00 5.66 -1.26 -2.87 114.28 116.46 2k4w n THR 106 Ca -0.18 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.41 2k4w n THR 106 Cb 0.53 0.64 -0.05 0.00 -1.55 0.00 0.00 70.33 69.90 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 4.36 0.56 1.09 0.41 -1.26 -4.73 118.70 119.13 2k4w s GLU 107 Ca 0.00 0.90 -0.15 0.00 -0.41 0.00 0.00 54.97 55.32 2k4w s GLU 107 Cb 0.00 -3.51 -0.06 0.00 -1.78 0.00 0.00 34.13 28.78 2k4w s GLU 107 CO 0.00 -0.12 1.01 -1.25 -0.49 0.00 0.00 175.26 174.41 2k4w s PRO 108 N 1.44 3.72 0.16 0.39 0.04 -1.26 -4.36 135.00 135.14 2k4w s PRO 108 Ca 0.37 0.93 -0.03 0.00 0.04 0.00 0.00 61.00 62.31 2k4w s PRO 108 Cb -0.17 -2.10 -0.03 0.00 0.04 0.00 0.00 34.50 32.24 2k4w s PRO 108 CO 0.15 -0.46 0.14 0.14 0.04 0.00 0.00 177.00 177.01 2k4w s VAL 109 N -2.78 0.06 0.00 -0.36 -7.23 -0.36 -5.02 120.40 104.71 2k4w s VAL 109 Ca 0.58 -1.82 -0.00 0.00 -1.81 0.00 0.00 61.98 58.93 2k4w s VAL 109 Cb -0.11 -2.16 -0.00 0.00 0.56 0.00 0.00 36.38 34.66 2k4w s VAL 109 CO 0.39 -0.27 0.00 -0.89 -0.31 0.00 0.00 175.10 174.03 2k4w s THR 110 N -4.07 0.01 -0.16 5.32 2.01 -1.26 -0.30 115.64 117.19 2k4w s THR 110 Ca 0.28 -0.04 -0.01 0.00 0.31 0.00 0.00 61.69 62.22 2k4w s THR 110 Cb 0.06 -0.02 0.05 0.00 0.01 0.00 0.00 72.50 72.59 2k4w s THR 110 CO 0.05 -0.02 -0.02 0.00 -0.69 0.00 0.00 174.62 173.94 2k4w s ALA 111 N -0.07 1.23 -2.00 7.40 0.00 -0.63 -4.90 121.76 122.79 2k4w s ALA 111 Ca -0.01 -0.70 0.16 0.00 0.00 0.00 0.00 51.96 51.41 2k4w s ALA 111 Cb -0.00 -1.09 0.92 0.00 0.00 0.00 0.00 23.12 22.95 2k4w s ALA 111 CO -0.00 -0.86 1.59 -0.35 0.00 0.00 0.00 175.76 176.14 2k4w n PRO 112 N 4.96 1.01 0.22 0.00 -0.04 -0.88 -1.90 135.00 138.37 2k4w n PRO 112 Ca -0.10 -0.02 0.13 0.00 -0.04 0.00 0.00 63.50 63.48 2k4w n PRO 112 Cb 0.48 -1.24 0.33 0.00 -0.04 0.00 0.00 33.50 33.02 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 0.03 0.00 -4.50 0.54 3.08 -1.91 -3.44 114.38 108.19 2k4w h ARG 113 Ca 0.00 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.74 2k4w h ARG 113 Cb 0.01 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 29.81 2k4w h ARG 113 CO 0.00 0.00 -0.75 -0.51 -1.07 0.00 0.00 179.97 177.64 2k4w s LEU 114 N -5.94 2.13 0.00 3.04 1.02 -1.25 -5.02 118.68 112.66 2k4w s LEU 114 Ca 0.06 -0.33 0.00 0.00 0.02 0.00 0.00 54.13 53.88 2k4w s LEU 114 Cb 0.07 -0.25 0.00 0.00 0.02 0.00 0.00 46.19 46.03 2k4w s LEU 114 CO 0.62 -0.06 0.01 0.29 0.02 0.00 0.00 176.35 177.23 2k4w n LYS 115 N 2.19 2.90 -3.64 1.70 5.02 -1.26 -2.03 118.16 123.05 2k4w n LYS 115 Ca -0.18 -0.01 -0.15 0.00 -2.02 0.00 0.00 58.31 55.95 2k4w n LYS 115 Cb 0.56 -0.26 -0.07 0.00 -0.02 0.00 0.00 35.03 35.24 2k4w n LYS 115 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2k4w s SER 116 N -0.42 -0.65 0.57 4.39 0.15 -1.26 -4.29 113.70 112.19 2k4w s SER 116 Ca 0.00 1.15 0.30 0.00 0.70 0.00 0.00 55.95 58.09 2k4w s SER 116 Cb 0.00 1.14 1.70 0.00 -1.71 0.00 0.00 66.02 67.15 2k4w s SER 116 CO 0.00 -0.30 2.19 -0.07 1.20 0.00 0.00 173.24 176.25 2k4w h LEU 117 N 4.69 0.00 -1.53 3.45 3.38 -1.97 -2.02 115.31 121.30 2k4w h LEU 117 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2k4w h LEU 117 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2k4w h LEU 117 CO 0.16 0.05 0.00 -2.24 0.09 0.00 0.00 178.44 176.50 2k4w h ASP 118 N 0.00 0.00 0.81 -0.43 2.03 -1.97 0.17 116.42 117.02 2k4w h ASP 118 Ca -0.00 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.28 2k4w h ASP 118 Cb 0.14 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.64 2k4w h ASP 118 CO 0.01 0.00 -0.10 -0.33 -1.03 0.00 0.00 179.24 177.78 2k4w h GLU 119 N 0.00 0.00 0.00 4.15 5.08 -1.80 -3.34 114.58 118.67 2k4w h GLU 119 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2k4w h GLU 119 Cb 0.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2k4w h GLU 119 CO 0.00 0.10 -0.23 1.33 -1.00 0.00 0.00 179.01 179.22 2k4w n VAL 120 N -3.30 1.25 0.44 3.13 0.24 0.57 -4.88 118.33 115.78 2k4w n VAL 120 Ca -0.00 -1.57 0.00 0.00 -2.04 0.00 0.00 64.34 60.73 2k4w n VAL 120 Cb 0.32 0.04 0.00 0.00 -1.47 0.00 0.00 33.84 32.73 2k4w n VAL 120 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 2k4w n LYS 121 N -0.90 0.44 0.00 7.34 2.85 -1.09 -1.93 118.16 124.88 2k4w n LYS 121 Ca 0.11 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.37 2k4w n LYS 121 Cb 0.68 -1.26 0.00 0.00 -0.65 0.00 0.00 35.03 33.80 2k4w n LYS 121 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2k4w n ASP 122 N 0.65 0.00 -4.87 -5.58 2.03 -1.26 -4.99 116.55 102.54 2k4w n ASP 122 Ca 0.00 -0.70 -0.22 0.00 0.52 0.00 0.00 54.79 54.38 2k4w n ASP 122 Cb 0.19 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.57 2k4w n ASP 122 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2k4w s LYS 123 N 0.00 2.42 0.12 -0.67 1.02 -0.81 -2.06 119.74 119.76 2k4w s LYS 123 Ca 0.00 -1.69 0.09 0.00 0.02 0.00 0.00 55.97 54.40 2k4w s LYS 123 Cb 0.00 -2.27 -0.04 0.00 -0.52 0.00 0.00 37.83 35.00 2k4w s LYS 123 CO 0.00 -0.30 -0.20 0.00 -0.92 0.00 0.00 175.35 173.93 2k4w s ALA 124 N -2.56 2.63 0.29 5.17 0.00 -0.76 -1.05 121.76 125.48 2k4w s ALA 124 Ca 0.45 -1.38 -0.09 0.00 0.00 0.00 0.00 51.96 50.94 2k4w s ALA 124 Cb -0.02 -0.60 -0.07 0.00 0.00 0.00 0.00 23.12 22.44 2k4w s ALA 124 CO 0.26 0.58 0.62 -0.51 0.00 0.00 0.00 175.76 176.71 2k4w s LEU 125 N -2.14 4.05 -0.04 0.00 1.43 0.23 -0.76 118.68 121.46 2k4w s LEU 125 Ca 0.17 0.95 -0.01 0.00 -1.03 0.00 0.00 54.13 54.21 2k4w s LEU 125 Cb -0.10 -3.76 0.03 0.00 0.03 0.00 0.00 46.19 42.39 2k4w s LEU 125 CO 0.09 -0.19 0.08 -0.04 0.23 0.00 0.00 176.35 176.52 2k4w s MET 126 N -3.26 -0.00 -0.08 1.70 -1.94 -0.04 -1.89 119.30 113.79 2k4w s MET 126 Ca 0.48 0.30 -0.20 0.00 -1.71 0.00 0.00 55.69 54.56 2k4w s MET 126 Cb -0.11 -0.27 -0.04 0.00 2.01 0.00 0.00 34.83 36.42 2k4w s MET 126 CO 0.25 -0.20 0.58 0.42 -0.01 0.00 0.00 175.02 176.06 2k4w s ILE 127 N 1.36 5.10 -0.04 2.53 1.01 0.21 -1.38 121.20 129.99 2k4w s ILE 127 Ca -0.06 1.18 0.07 0.00 0.00 0.00 0.00 60.65 61.83 2k4w s ILE 127 Cb -0.12 -3.92 -0.02 0.00 0.01 0.00 0.00 42.46 38.41 2k4w s ILE 127 CO -0.04 0.31 -0.24 -1.00 0.00 0.00 0.00 174.94 173.97 2k4w s HIS 128 N 0.57 2.43 0.15 3.97 3.76 0.34 -0.76 115.29 125.75 2k4w s HIS 128 Ca 0.31 -0.55 -0.13 0.00 -0.15 0.00 0.00 55.06 54.54 2k4w s HIS 128 Cb -0.16 -1.57 0.03 0.00 1.11 0.00 0.00 32.58 31.99 2k4w s HIS 128 CO 0.14 -0.10 1.65 0.28 -0.85 0.00 0.00 174.74 175.86 2k4w h VAL 129 N 4.76 1.24 0.00 -0.90 2.07 -0.21 -2.49 116.25 120.72 2k4w h VAL 129 Ca -0.38 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.26 2k4w h VAL 129 Cb 1.15 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 2k4w h VAL 129 CO 0.48 0.32 0.00 0.61 0.02 0.00 0.00 177.57 178.99 2k4w n GLY 130 N -0.57 1.19 0.00 2.17 0.00 0.07 -4.60 105.19 103.45 2k4w n GLY 130 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2k4w n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4w n GLY 131 N 4.60 1.44 3.58 -0.02 0.00 -1.26 -2.48 105.19 111.04 2k4w n GLY 131 Ca 0.00 -0.84 -0.14 0.00 0.00 0.00 0.00 46.02 45.04 2k4w n GLY 131 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k4w s ASP 132 N -0.10 -0.60 0.00 1.61 -1.08 -1.26 -4.60 116.67 110.65 2k4w s ASP 132 Ca 0.00 0.87 0.00 0.00 -0.52 0.00 0.00 52.55 52.90 2k4w s ASP 132 Cb 0.00 0.78 0.00 0.00 -1.46 0.00 0.00 42.92 42.24 2k4w s ASP 132 CO 0.00 -0.40 0.00 -3.20 0.52 0.00 0.00 175.17 172.09 2k4w n ASN 133 N 1.52 0.00 -1.71 -0.34 4.05 -1.26 -4.80 115.26 112.72 2k4w n ASN 133 Ca -0.15 0.00 -0.02 0.00 0.45 0.00 0.00 54.58 54.86 2k4w n ASN 133 Cb 0.56 0.00 0.04 0.00 1.23 0.00 0.00 39.78 41.61 2k4w n ASN 133 CO 0.00 0.00 0.00 1.15 -3.05 0.00 0.00 177.26 175.36 2k4w n MET 134 N 0.00 0.50 -1.21 1.20 0.00 -1.26 -5.06 117.12 111.29 2k4w n MET 134 Ca 0.00 -0.59 -0.35 0.00 0.00 0.00 0.00 57.70 56.75 2k4w n MET 134 Cb 0.00 0.31 -0.02 0.00 0.00 0.00 0.00 33.22 33.50 2k4w n MET 134 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 2k4w n SER 135 N -0.57 7.19 0.00 3.17 3.41 -1.26 -4.18 113.62 121.38 2k4w n SER 135 Ca -0.11 -2.54 0.00 0.00 -0.26 0.00 0.00 58.87 55.96 2k4w n SER 135 Cb 0.63 -1.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.14 2k4w n SER 135 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2k4w n ASP 136 N 4.10 0.00 -4.85 4.04 2.03 -1.26 -4.95 116.55 115.66 2k4w n ASP 136 Ca 0.67 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 55.65 2k4w n ASP 136 Cb 0.23 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.57 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 -1.55 4.00 0.00 -0.67 0.00 -1.26 -4.99 119.66 115.19 2k4w s GLN 137 Ca 0.00 0.60 0.17 0.00 -0.00 0.00 0.00 55.36 56.13 2k4w s GLN 137 Cb 0.00 -2.62 0.74 0.00 0.00 0.00 0.00 33.01 31.13 2k4w s GLN 137 CO 0.00 0.28 1.53 -0.35 0.00 0.00 0.00 175.29 176.74 2k4w n PRO 138 N 0.04 0.05 -3.32 9.60 -0.04 -1.26 -2.26 135.00 137.80 2k4w n PRO 138 Ca 0.01 0.20 -0.43 0.00 -0.04 0.00 0.00 63.50 63.23 2k4w n PRO 138 Cb 0.52 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.48 2k4w n PRO 138 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2k4w n LYS 139 N -1.46 3.58 -1.74 0.54 5.02 -1.26 -5.08 118.16 117.76 2k4w n LYS 139 Ca 0.05 -4.48 -0.35 0.00 -2.02 0.00 0.00 58.31 51.51 2k4w n LYS 139 Cb 0.18 -2.52 0.06 0.00 -0.02 0.00 0.00 35.03 32.73 2k4w n LYS 139 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2k4w s PRO 140 N -1.56 2.61 -1.03 1.97 0.04 -0.96 -2.51 135.00 133.56 2k4w s PRO 140 Ca 0.31 1.74 0.00 0.00 0.04 0.00 0.00 61.00 63.09 2k4w s PRO 140 Cb -0.07 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.58 2k4w s PRO 140 CO -0.06 -1.47 0.00 1.28 0.04 0.00 0.00 177.00 176.80 2k4w n LEU 141 N -2.16 -1.38 -0.41 -3.56 4.77 -1.26 -3.55 117.00 109.43 2k4w n LEU 141 Ca 0.13 0.05 -0.05 0.00 -0.03 0.00 0.00 56.01 56.11 2k4w n LEU 141 Cb 0.50 -1.83 -0.02 0.00 -2.33 0.00 0.00 43.42 39.73 2k4w n LEU 141 CO 0.46 -0.22 -0.05 0.61 -1.33 0.00 0.00 177.39 176.86 2k4w n GLY 142 N -1.12 0.64 3.17 -0.72 0.00 -1.16 -1.13 105.19 104.87 2k4w n GLY 142 Ca -0.13 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.44 2.13 1.16 -0.02 0.00 -1.04 -4.88 105.19 102.10 2k4w n GLY 143 Ca -0.05 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.08 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 1.86 0.00 -0.02 0.00 -0.28 -4.49 105.19 100.26 2k4w n GLY 144 Ca 0.00 -0.73 0.05 0.00 0.00 0.00 0.00 46.02 45.34 2k4w n GLY 144 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4w n GLY 145 N 1.47 -0.44 3.76 -0.02 0.00 -1.02 -0.75 105.19 108.19 2k4w n GLY 145 Ca 0.20 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 2k4w n GLY 145 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k4w s THR 146 N -2.00 2.47 0.18 2.61 -4.23 -1.26 -4.79 115.64 108.62 2k4w s THR 146 Ca 0.16 0.39 -0.30 0.00 -1.18 0.00 0.00 61.69 60.75 2k4w s THR 146 Cb 0.07 -3.21 -0.08 0.00 1.34 0.00 0.00 72.50 70.63 2k4w s THR 146 CO 0.12 0.03 0.95 0.00 -0.54 0.00 0.00 174.62 175.18 2k4w s ARG 147 N -2.58 4.78 -0.01 3.99 3.03 -1.26 -0.24 118.95 126.66 2k4w s ARG 147 Ca 0.63 1.48 0.15 0.00 2.03 0.00 0.00 55.73 60.02 2k4w s ARG 147 Cb -0.38 -3.32 -0.19 0.00 -1.03 0.00 0.00 34.95 30.03 2k4w s ARG 147 CO 0.47 0.38 0.67 0.98 -1.13 0.00 0.00 175.30 176.66 2k4w n TYR 148 N 2.07 0.86 -3.59 5.89 9.36 0.06 -4.82 117.16 127.00 2k4w n TYR 148 Ca -0.00 0.30 -0.15 0.00 3.32 0.00 0.00 57.90 61.37 2k4w n TYR 148 Cb 0.48 -1.11 -0.06 0.00 -0.63 0.00 0.00 39.34 38.03 2k4w n TYR 148 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2k4w s ALA 149 N -2.76 -1.35 0.32 2.98 0.00 -1.09 -4.26 121.76 115.61 2k4w s ALA 149 Ca -0.05 0.71 0.08 0.00 0.00 0.00 0.00 51.96 52.71 2k4w s ALA 149 Cb 0.08 0.26 -0.06 0.00 0.00 0.00 0.00 23.12 23.40 2k4w s ALA 149 CO 0.82 -0.44 -0.07 0.00 0.00 0.00 0.00 175.76 176.07 2k4w s GLY 151 N -3.55 -0.53 0.02 0.00 0.00 -0.79 -0.29 107.32 102.17 2k4w s GLY 151 Ca 0.32 2.24 -0.25 0.00 0.00 0.00 0.00 44.72 47.03 2k4w s GLY 151 CO 0.15 2.00 0.75 0.14 0.00 0.00 0.00 173.10 176.14 2k4w s VAL 152 N 0.81 4.81 0.06 1.40 1.01 -1.26 -0.60 120.40 126.64 2k4w s VAL 152 Ca -0.03 1.59 -0.16 0.00 0.00 0.00 0.00 61.98 63.37 2k4w s VAL 152 Cb -0.05 -4.10 -0.06 0.00 0.00 0.00 0.00 36.38 32.17 2k4w s VAL 152 CO -0.07 0.33 0.51 -0.63 0.00 0.00 0.00 175.10 175.24 2k4w s ILE 153 N 0.16 4.87 0.00 2.22 1.01 -0.22 -4.78 121.20 124.46 2k4w s ILE 153 Ca 0.39 0.98 0.00 0.00 0.00 0.00 0.00 60.65 62.02 2k4w s ILE 153 Cb -0.20 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.48 2k4w s ILE 153 CO 0.22 0.49 0.09 0.29 0.00 0.00 0.00 174.94 176.03