#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 -0.14 -0.13 0.00 0.01 -1.26 -1.46 113.70 110.71 2k4w s SER 2 Ca 0.00 0.03 -0.08 0.00 1.31 0.00 0.00 55.95 57.21 2k4w s SER 2 Cb 0.00 0.29 0.05 0.00 0.21 0.00 0.00 66.02 66.57 2k4w s SER 2 CO 0.00 -0.42 0.33 -0.70 0.41 0.00 0.00 173.24 172.85 2k4w s GLU 3 N -1.31 0.32 -0.45 12.44 2.56 0.32 -5.00 118.70 127.57 2k4w s GLU 3 Ca -0.14 0.62 -0.23 0.00 0.00 0.00 0.00 54.97 55.22 2k4w s GLU 3 Cb -0.06 -0.02 0.03 0.00 2.00 0.00 0.00 34.13 36.08 2k4w s GLU 3 CO 0.04 -0.14 0.78 -1.59 -0.56 0.00 0.00 175.26 173.79 2k4w s LYS 4 N 1.10 3.39 -0.55 4.30 -2.85 -1.26 -0.80 119.74 123.06 2k4w s LYS 4 Ca -0.08 -0.13 -0.24 0.00 -1.00 0.00 0.00 55.97 54.53 2k4w s LYS 4 Cb -0.08 -3.95 0.04 0.00 -2.06 0.00 0.00 37.83 31.79 2k4w s LYS 4 CO -0.08 -1.13 0.92 0.08 0.10 0.00 0.00 175.35 175.23 2k4w s VAL 5 N 3.29 4.42 -0.26 1.79 1.01 0.88 -4.90 120.40 126.63 2k4w s VAL 5 Ca 0.29 0.19 -0.28 0.00 0.00 0.00 0.00 61.98 62.18 2k4w s VAL 5 Cb -0.12 -4.53 -0.06 0.00 0.00 0.00 0.00 36.38 31.67 2k4w s VAL 5 CO 0.22 -1.10 2.25 0.61 0.00 0.00 0.00 175.10 177.08 2k4w n GLY 6 N 5.13 0.89 3.70 4.51 0.00 -1.26 -1.73 105.19 116.43 2k4w n GLY 6 Ca 0.01 0.78 -0.27 0.00 0.00 0.00 0.00 46.02 46.53 2k4w n GLY 6 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2k4w s MET 7 N 6.61 2.53 -0.00 1.61 -1.94 -1.25 -3.08 119.30 123.78 2k4w s MET 7 Ca 1.01 -1.02 -0.09 0.00 -1.71 0.00 0.00 55.69 53.89 2k4w s MET 7 Cb -0.35 -2.45 0.01 0.00 2.01 0.00 0.00 34.83 34.05 2k4w s MET 7 CO 0.35 0.47 0.18 1.21 -0.01 0.00 0.00 175.02 177.22 2k4w s ASN 8 N -2.89 -0.03 -1.40 3.03 3.84 0.39 -4.52 114.94 113.36 2k4w s ASN 8 Ca 0.28 -0.12 -0.13 0.00 0.21 0.00 0.00 52.86 53.10 2k4w s ASN 8 Cb -0.10 0.24 -0.03 0.00 -0.55 0.00 0.00 41.25 40.81 2k4w s ASN 8 CO 0.20 -0.38 2.43 0.18 -2.79 0.00 0.00 177.10 176.73 2k4w n LEU 9 N 1.45 7.06 -4.77 3.21 4.77 0.45 -1.34 117.00 127.83 2k4w n LEU 9 Ca -0.22 -4.00 -0.38 0.00 -0.03 0.00 0.00 56.01 51.38 2k4w n LEU 9 Cb 0.56 -1.53 -0.01 0.00 -2.33 0.00 0.00 43.42 40.11 2k4w n LEU 9 CO 0.21 1.23 0.88 0.68 -1.33 0.00 0.00 177.39 179.06 2k4w s VAL 10 N 3.07 2.92 -0.37 4.08 -7.23 -1.26 -4.37 120.40 117.24 2k4w s VAL 10 Ca 0.55 0.74 -0.01 0.00 -1.81 0.00 0.00 61.98 61.45 2k4w s VAL 10 Cb 0.15 -3.40 0.25 0.00 0.56 0.00 0.00 36.38 33.94 2k4w s VAL 10 CO -0.06 0.04 1.12 1.07 -0.31 0.00 0.00 175.10 176.97 2k4w n THR 11 N -0.22 0.00 0.00 5.32 5.66 -1.23 -4.73 114.28 119.08 2k4w n THR 11 Ca 0.06 -0.76 0.00 0.00 -3.05 0.00 0.00 64.05 60.30 2k4w n THR 11 Cb 0.46 1.07 0.00 0.00 -1.55 0.00 0.00 70.33 70.32 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 1.80 0.00 0.18 1.79 0.00 -0.80 -4.56 120.51 118.92 2k4w n ALA 12 Ca 0.05 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.52 2k4w n ALA 12 Cb 0.67 -0.03 0.35 0.00 0.00 0.00 0.00 19.45 20.45 2k4w n ALA 12 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2k4w h GLN 13 N 0.44 0.00 0.00 0.00 1.08 -1.90 -3.44 115.11 111.29 2k4w h GLN 13 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2k4w h GLN 13 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2k4w h GLN 13 CO 0.00 0.40 0.00 0.41 -0.95 0.00 0.00 178.83 178.69 2k4w n GLY 14 N -0.21 -1.64 3.61 3.46 0.00 -1.26 -4.76 105.19 104.39 2k4w n GLY 14 Ca -0.01 -1.73 -0.56 0.00 0.00 0.00 0.00 46.02 43.72 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 0.00 0.07 0.02 1.61 0.31 -1.24 -3.54 118.33 115.55 2k4w n VAL 15 Ca 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 2k4w n VAL 15 Cb 0.00 -0.75 0.00 0.00 -0.91 0.00 0.00 33.84 32.18 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 2.83 -0.01 3.33 2.92 0.00 -1.26 -5.00 105.19 108.00 2k4w n GLY 16 Ca 0.21 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.20 1.10 0.45 1.61 -2.07 -1.26 -5.01 119.66 113.29 2k4w s GLN 17 Ca 0.00 -0.67 0.07 0.00 -1.82 0.00 0.00 55.36 52.94 2k4w s GLN 17 Cb 0.00 0.49 -0.01 0.00 -1.09 0.00 0.00 33.01 32.40 2k4w s GLN 17 CO 0.00 -0.44 0.34 0.45 -1.32 0.00 0.00 175.29 174.32 2k4w s SER 18 N -2.79 4.79 0.00 12.60 0.15 -1.26 -0.41 113.70 126.77 2k4w s SER 18 Ca 0.03 -0.95 0.00 0.00 0.70 0.00 0.00 55.95 55.72 2k4w s SER 18 Cb 0.01 -0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.03 2k4w s SER 18 CO -0.12 -0.75 0.13 2.30 1.20 0.00 0.00 173.24 176.00 2k4w n ILE 19 N -1.53 0.00 0.00 6.45 -5.35 -1.26 -4.95 119.36 112.72 2k4w n ILE 19 Ca 0.01 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.49 2k4w n ILE 19 Cb 0.63 0.62 0.00 0.00 -1.74 0.00 0.00 39.64 39.16 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 3.59 3.09 3.28 0.00 -1.26 -3.13 105.19 110.77 2k4w n GLY 20 Ca 0.00 -1.06 -0.25 0.00 0.00 0.00 0.00 46.02 44.71 2k4w n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k4w n THR 21 N -1.32 0.00 -4.06 2.61 -2.24 -1.22 -3.83 114.28 104.21 2k4w n THR 21 Ca 0.00 -2.12 -0.22 0.00 -2.27 0.00 0.00 64.05 59.44 2k4w n THR 21 Cb 0.00 0.62 -0.17 0.00 -2.10 0.00 0.00 70.33 68.68 2k4w n THR 21 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2k4w s VAL 22 N -2.79 0.61 -0.06 2.28 1.01 -0.70 -2.58 120.40 118.17 2k4w s VAL 22 Ca 0.10 -0.11 -0.30 0.00 0.00 0.00 0.00 61.98 61.67 2k4w s VAL 22 Cb 0.01 -0.66 -0.03 0.00 0.00 0.00 0.00 36.38 35.69 2k4w s VAL 22 CO 0.07 0.26 1.23 0.54 0.00 0.00 0.00 175.10 177.21 2k4w s VAL 23 N 1.28 4.18 -0.17 2.92 0.11 -0.93 -0.09 120.40 127.70 2k4w s VAL 23 Ca -0.05 1.51 -0.11 0.00 -2.93 0.00 0.00 61.98 60.40 2k4w s VAL 23 Cb -0.14 -3.97 -0.05 0.00 -1.53 0.00 0.00 36.38 30.69 2k4w s VAL 23 CO -0.02 -0.02 0.20 -0.63 -3.33 0.00 0.00 175.10 171.30 2k4w s ILE 24 N 2.37 5.37 -0.04 7.04 1.01 0.02 -1.13 121.20 135.84 2k4w s ILE 24 Ca 0.57 0.34 -0.02 0.00 0.00 0.00 0.00 60.65 61.54 2k4w s ILE 24 Cb -0.25 -3.53 0.03 0.00 0.01 0.00 0.00 42.46 38.72 2k4w s ILE 24 CO 0.22 0.45 0.06 -0.62 0.00 0.00 0.00 174.94 175.04 2k4w s ASP 25 N 0.20 0.98 0.24 3.58 2.15 -0.36 -0.52 116.67 122.93 2k4w s ASP 25 Ca 0.12 0.08 -0.10 0.00 0.43 0.00 0.00 52.55 53.09 2k4w s ASP 25 Cb -0.12 -0.12 -0.07 0.00 -0.30 0.00 0.00 42.92 42.31 2k4w s ASP 25 CO 0.01 -0.23 0.56 -1.83 -0.17 0.00 0.00 175.17 173.51 2k4w s GLU 26 N 2.01 3.80 0.37 4.34 4.04 -0.53 -0.54 118.70 132.18 2k4w s GLU 26 Ca 0.03 0.27 -0.10 0.00 0.04 0.00 0.00 54.97 55.22 2k4w s GLU 26 Cb -0.12 -2.64 0.03 0.00 0.02 0.00 0.00 34.13 31.42 2k4w s GLU 26 CO -0.03 0.30 0.65 -0.08 -1.84 0.00 0.00 175.26 174.27 2k4w s THR 27 N -1.84 0.00 0.49 1.83 -1.32 0.33 -4.47 115.64 110.67 2k4w s THR 27 Ca 0.47 -1.27 0.14 0.00 -1.21 0.00 0.00 61.69 59.82 2k4w s THR 27 Cb -0.11 -2.78 0.26 0.00 -1.51 0.00 0.00 72.50 68.35 2k4w s THR 27 CO 0.22 0.00 2.11 -0.08 -2.21 0.00 0.00 174.62 174.65 2k4w h GLU 28 N 2.04 0.11 -0.48 7.08 4.81 -1.96 0.11 114.58 126.29 2k4w h GLU 28 Ca -0.30 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 2k4w h GLU 28 Cb 1.25 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.60 2k4w h GLU 28 CO 0.40 0.10 0.00 0.41 -0.73 0.00 0.00 179.01 179.18 2k4w n GLY 29 N -1.45 0.75 4.09 1.92 0.00 -1.26 -4.98 105.19 104.26 2k4w n GLY 29 Ca -0.02 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 0.57 -0.11 3.56 -0.02 0.00 0.39 -2.81 105.19 106.77 2k4w n GLY 30 Ca 0.07 -1.38 -0.41 0.00 0.00 0.00 0.00 46.02 44.30 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 3.24 -0.36 0.99 1.43 -0.79 -0.51 118.68 122.68 2k4w s LEU 31 Ca 0.00 -0.25 -0.29 0.00 -1.03 0.00 0.00 54.13 52.56 2k4w s LEU 31 Cb 0.00 -2.71 0.01 0.00 0.03 0.00 0.00 46.19 43.52 2k4w s LEU 31 CO 0.00 -1.79 1.34 -0.75 0.23 0.00 0.00 176.35 175.38 2k4w s LYS 32 N 5.65 3.74 -0.43 1.70 2.20 0.30 -1.10 119.74 131.80 2k4w s LYS 32 Ca 0.40 1.05 -0.16 0.00 -0.36 0.00 0.00 55.97 56.90 2k4w s LYS 32 Cb -0.08 -3.95 0.03 0.00 -1.51 0.00 0.00 37.83 32.32 2k4w s LYS 32 CO 0.18 -1.35 0.37 0.12 -0.36 0.00 0.00 175.35 174.31 2k4w s PHE 33 N 4.87 3.21 -0.37 4.03 5.36 0.95 -1.23 117.98 134.80 2k4w s PHE 33 Ca 0.58 -0.58 -0.05 0.00 -0.96 0.00 0.00 56.93 55.92 2k4w s PHE 33 Cb -0.15 -2.81 0.07 0.00 -0.34 0.00 0.00 43.02 39.80 2k4w s PHE 33 CO 0.28 -0.67 0.15 0.99 -1.46 0.00 0.00 175.22 174.51 2k4w s THR 34 N 1.85 3.56 0.50 0.12 2.01 -0.28 -0.77 115.64 122.63 2k4w s THR 34 Ca 0.07 -1.54 -0.18 0.00 0.31 0.00 0.00 61.69 60.36 2k4w s THR 34 Cb -0.19 -3.19 -0.08 0.00 0.01 0.00 0.00 72.50 69.04 2k4w s THR 34 CO 0.11 -0.40 0.99 -2.16 -0.69 0.00 0.00 174.62 172.46 2k4w s PRO 35 N 1.29 3.96 -0.45 4.92 0.04 -1.26 -2.20 135.00 141.30 2k4w s PRO 35 Ca 0.02 1.03 0.07 0.00 0.04 0.00 0.00 61.00 62.16 2k4w s PRO 35 Cb -0.21 -2.14 0.30 0.00 0.04 0.00 0.00 34.50 32.49 2k4w s PRO 35 CO -0.00 -0.27 0.95 -2.39 0.04 0.00 0.00 177.00 175.33 2k4w n HIS 36 N -1.37 -2.28 -4.82 0.56 1.44 -1.06 -3.96 115.22 103.74 2k4w n HIS 36 Ca 0.07 -2.44 -0.26 0.00 -2.01 0.00 0.00 57.72 53.09 2k4w n HIS 36 Cb 0.54 1.11 -0.15 0.00 0.12 0.00 0.00 29.99 31.61 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 -1.81 2.08 -0.07 2.39 1.02 -1.18 -3.41 118.68 117.70 2k4w s LEU 37 Ca 0.29 -0.41 0.11 0.00 0.02 0.00 0.00 54.13 54.14 2k4w s LEU 37 Cb 0.27 -0.97 0.18 0.00 0.02 0.00 0.00 46.19 45.69 2k4w s LEU 37 CO -0.11 0.20 1.09 0.29 0.02 0.00 0.00 176.35 177.84 2k4w n LYS 38 N 2.34 0.70 -0.48 1.70 5.02 -1.18 -0.99 118.16 125.26 2k4w n LYS 38 Ca -0.16 -1.91 0.00 0.00 -2.02 0.00 0.00 58.31 54.22 2k4w n LYS 38 Cb 0.53 -1.02 0.00 0.00 -0.02 0.00 0.00 35.03 34.52 2k4w n LYS 38 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k4w n ALA 39 N -0.74 1.96 -2.25 7.82 0.00 -0.57 -4.58 120.51 122.15 2k4w n ALA 39 Ca 0.09 -0.86 -0.23 0.00 0.00 0.00 0.00 53.44 52.44 2k4w n ALA 39 Cb 0.69 -0.42 0.02 0.00 0.00 0.00 0.00 19.45 19.73 2k4w n ALA 39 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2k4w s LEU 40 N 0.00 3.56 0.17 0.00 1.43 -0.75 -5.02 118.68 118.07 2k4w s LEU 40 Ca 0.00 0.27 -0.31 0.00 -1.03 0.00 0.00 54.13 53.06 2k4w s LEU 40 Cb 0.00 -3.14 -0.09 0.00 0.03 0.00 0.00 46.19 42.98 2k4w s LEU 40 CO 0.00 -0.80 1.48 -2.16 0.23 0.00 0.00 176.35 175.11 2k4w s PRO 41 N -4.62 4.26 -0.24 1.29 0.04 -1.26 -4.13 135.00 130.34 2k4w s PRO 41 Ca 0.50 2.26 0.01 0.00 0.04 0.00 0.00 61.00 63.81 2k4w s PRO 41 Cb -0.10 -3.17 0.26 0.00 0.04 0.00 0.00 34.50 31.53 2k4w s PRO 41 CO 0.38 -0.51 1.66 -0.35 0.04 0.00 0.00 177.00 178.23 2k4w n PRO 42 N 3.56 1.64 0.00 0.56 -0.04 -1.26 -4.63 135.00 134.82 2k4w n PRO 42 Ca 0.11 -1.39 0.00 0.00 -0.04 0.00 0.00 63.50 62.19 2k4w n PRO 42 Cb 0.40 -1.54 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 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 0.44 3.01 0.55 0.00 -1.26 -3.92 105.19 104.05 2k4w n GLY 43 Ca 0.27 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.13 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 3.16 0.55 0.03 1.61 8.01 -1.26 -0.69 118.70 130.11 2k4w s GLU 44 Ca 0.00 -0.37 0.03 0.00 0.01 0.00 0.00 54.97 54.63 2k4w s GLU 44 Cb 0.00 -0.49 -0.02 0.00 -4.31 0.00 0.00 34.13 29.31 2k4w s GLU 44 CO 0.00 0.13 -0.08 -1.01 0.01 0.00 0.00 175.26 174.30 2k4w s HIS 45 N -0.45 0.74 0.84 1.61 3.76 -0.26 -4.61 115.29 116.93 2k4w s HIS 45 Ca -0.00 -0.34 -0.12 0.00 -0.15 0.00 0.00 55.06 54.45 2k4w s HIS 45 Cb -0.04 -0.45 0.10 0.00 1.11 0.00 0.00 32.58 33.30 2k4w s HIS 45 CO -0.00 -0.03 1.18 0.41 -0.85 0.00 0.00 174.74 175.44 2k4w n GLY 46 N 2.03 -0.15 2.95 -2.22 0.00 -0.44 0.29 105.19 107.64 2k4w n GLY 46 Ca -0.19 -0.56 -0.15 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.28 -0.33 0.21 1.61 5.36 -1.25 -0.84 117.98 120.46 2k4w s PHE 47 Ca 0.71 0.83 0.03 0.00 -0.96 0.00 0.00 56.93 57.54 2k4w s PHE 47 Cb -0.27 -0.11 -0.05 0.00 -0.34 0.00 0.00 43.02 42.24 2k4w s PHE 47 CO 0.53 -0.32 -0.00 -1.01 -1.46 0.00 0.00 175.22 172.96 2k4w s HIS 48 N 2.31 1.46 0.14 10.12 3.76 -0.99 -4.26 115.29 127.83 2k4w s HIS 48 Ca 0.01 -0.94 -0.15 0.00 -0.15 0.00 0.00 55.06 53.83 2k4w s HIS 48 Cb -0.12 -0.84 -0.07 0.00 1.11 0.00 0.00 32.58 32.66 2k4w s HIS 48 CO -0.07 -0.08 0.56 0.42 -0.85 0.00 0.00 174.74 174.71 2k4w s ILE 49 N -3.48 4.83 0.33 0.60 1.01 -1.14 -1.46 121.20 121.89 2k4w s ILE 49 Ca 0.27 0.91 0.04 0.00 0.00 0.00 0.00 60.65 61.87 2k4w s ILE 49 Cb 0.06 -3.76 -0.06 0.00 0.01 0.00 0.00 42.46 38.70 2k4w s ILE 49 CO 0.07 0.29 0.06 -1.00 0.00 0.00 0.00 174.94 174.36 2k4w s HIS 50 N -1.41 2.01 0.16 3.97 3.76 -0.16 -4.56 115.29 119.05 2k4w s HIS 50 Ca 0.37 -0.94 0.06 0.00 -0.15 0.00 0.00 55.06 54.39 2k4w s HIS 50 Cb -0.16 -1.32 -0.06 0.00 1.11 0.00 0.00 32.58 32.15 2k4w s HIS 50 CO 0.19 0.04 1.36 0.00 -0.85 0.00 0.00 174.74 175.48 2k4w h ALA 51 N 2.08 0.50 -3.00 -1.40 0.00 -1.07 -3.31 119.26 113.05 2k4w h ALA 51 Ca -0.41 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 53.70 2k4w h ALA 51 Cb 1.24 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2k4w h ALA 51 CO 0.70 1.06 0.00 0.09 0.00 0.00 0.00 179.25 181.10 2k4w n ASN 52 N -3.52 0.78 -0.06 0.00 3.02 0.29 -4.88 115.26 110.88 2k4w n ASN 52 Ca -0.02 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.49 2k4w n ASN 52 Cb 0.85 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.87 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 5.00 -1.02 0.00 7.41 0.00 -0.55 -0.84 105.19 115.19 2k4w n GLY 53 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 2k4w n GLY 53 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2k4w n SER 54 N -2.70 0.00 -3.42 1.61 3.41 -0.69 -4.29 113.62 107.54 2k4w n SER 54 Ca -0.24 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.03 2k4w n SER 54 Cb 1.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.89 2k4w n SER 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k4w s GLN 56 N 5.43 3.64 0.75 0.00 -1.52 -1.26 -3.68 119.66 123.02 2k4w s GLN 56 Ca 0.50 -0.05 -0.03 0.00 -1.95 0.00 0.00 55.36 53.84 2k4w s GLN 56 Cb 0.12 -2.76 0.14 0.00 -0.22 0.00 0.00 33.01 30.29 2k4w s GLN 56 CO 0.16 0.36 1.04 -1.25 -0.25 0.00 0.00 175.29 175.35 2k4w s PRO 57 N -3.04 1.55 0.00 2.91 0.04 -1.26 -0.81 135.00 134.40 2k4w s PRO 57 Ca 0.42 -1.01 -0.02 0.00 0.04 0.00 0.00 61.00 60.43 2k4w s PRO 57 Cb -0.11 -2.26 -0.01 0.00 0.04 0.00 0.00 34.50 32.15 2k4w s PRO 57 CO 0.26 -1.57 0.04 0.00 0.04 0.00 0.00 177.00 175.77 2k4w s ALA 58 N -3.24 -0.07 -0.21 8.56 0.00 -1.24 -4.72 121.76 120.84 2k4w s ALA 58 Ca 0.67 -0.26 -0.08 0.00 0.00 0.00 0.00 51.96 52.28 2k4w s ALA 58 Cb -0.05 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 2k4w s ALA 58 CO 0.45 -0.14 0.09 0.42 0.00 0.00 0.00 175.76 176.59 2k4w s ILE 59 N -1.03 4.90 0.05 0.00 -1.09 -1.26 -0.08 121.20 122.69 2k4w s ILE 59 Ca -0.11 0.01 -0.27 0.00 -2.23 0.00 0.00 60.65 58.05 2k4w s ILE 59 Cb -0.07 -3.25 0.08 0.00 -1.58 0.00 0.00 42.46 37.65 2k4w s ILE 59 CO -0.00 0.41 0.70 -0.54 -1.23 0.00 0.00 174.94 174.28 2k4w s LYS 60 N 0.77 1.09 -1.44 2.79 3.01 -0.71 -5.01 119.74 120.24 2k4w s LYS 60 Ca 0.05 -0.19 -0.11 0.00 -1.01 0.00 0.00 55.97 54.71 2k4w s LYS 60 Cb -0.13 0.51 0.07 0.00 -1.01 0.00 0.00 37.83 37.27 2k4w s LYS 60 CO 0.02 -0.43 0.70 -3.47 0.51 0.00 0.00 175.35 172.68 2k4w n ASP 61 N 0.08 -4.44 -0.40 2.83 2.03 -1.26 -1.06 116.55 114.34 2k4w n ASP 61 Ca -0.16 -0.55 -0.05 0.00 0.52 0.00 0.00 54.79 54.55 2k4w n ASP 61 Cb 0.62 -3.60 -0.02 0.00 -0.72 0.00 0.00 41.12 37.39 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 -1.42 0.77 3.19 0.27 0.00 -1.26 -5.01 105.19 101.73 2k4w n GLY 62 Ca -0.00 -0.60 -0.10 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 -2.14 0.74 -0.24 1.61 1.03 -0.23 -5.13 119.66 115.29 2k4w s GLN 63 Ca 0.00 -0.70 -0.17 0.00 0.04 0.00 0.00 55.36 54.53 2k4w s GLN 63 Cb 0.00 0.31 -0.03 0.00 0.03 0.00 0.00 33.01 33.32 2k4w s GLN 63 CO 0.00 -0.22 0.49 0.00 -2.54 0.00 0.00 175.29 173.02 2k4w s ALA 64 N -2.87 3.57 0.23 2.60 0.00 -1.26 -1.73 121.76 122.30 2k4w s ALA 64 Ca -0.03 -0.56 -0.32 0.00 0.00 0.00 0.00 51.96 51.06 2k4w s ALA 64 Cb 0.00 -2.82 -0.12 0.00 0.00 0.00 0.00 23.12 20.18 2k4w s ALA 64 CO -0.06 -0.60 1.62 0.28 0.00 0.00 0.00 175.76 177.01 2k4w n VAL 65 N 4.89 0.45 -0.34 0.00 0.31 0.88 -4.81 118.33 119.71 2k4w n VAL 65 Ca -0.05 -0.11 0.22 0.00 -0.01 0.00 0.00 64.34 64.38 2k4w n VAL 65 Cb 0.50 -1.84 0.47 0.00 -0.91 0.00 0.00 33.84 32.06 2k4w n VAL 65 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2k4w h ALA 66 N 5.68 2.10 -0.38 3.52 0.00 -1.90 -3.29 119.26 124.99 2k4w h ALA 66 Ca -0.45 0.09 0.25 0.00 0.00 0.00 0.00 54.91 54.80 2k4w h ALA 66 Cb 1.23 0.04 -0.30 0.00 0.00 0.00 0.00 17.79 18.75 2k4w h ALA 66 CO 0.87 -0.54 0.66 0.00 0.00 0.00 0.00 179.25 180.23 2k4w s ALA 67 N -5.58 -3.13 0.00 0.00 0.00 -1.26 -1.90 121.76 109.89 2k4w s ALA 67 Ca -0.09 1.83 0.00 0.00 0.00 0.00 0.00 51.96 53.69 2k4w s ALA 67 Cb 0.26 -2.22 0.00 0.00 0.00 0.00 0.00 23.12 21.17 2k4w s ALA 67 CO 0.80 -0.73 0.00 -1.91 0.00 0.00 0.00 175.76 173.92 2k4w n GLU 68 N 3.94 3.40 0.00 0.00 4.07 0.01 -4.71 120.64 127.35 2k4w n GLU 68 Ca -0.10 0.00 0.09 0.00 -0.06 0.00 0.00 57.16 57.09 2k4w n GLU 68 Cb 0.56 -0.96 0.52 0.00 -0.06 0.00 0.00 31.44 31.49 2k4w n GLU 68 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2k4w n ALA 69 N -1.84 2.14 0.36 4.31 0.00 -0.63 -0.55 120.51 124.30 2k4w n ALA 69 Ca 0.00 -0.11 0.12 0.00 0.00 0.00 0.00 53.44 53.45 2k4w n ALA 69 Cb 0.42 -1.28 0.14 0.00 0.00 0.00 0.00 19.45 18.72 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 3.08 0.67 0.00 0.00 0.00 -1.71 -1.23 119.26 120.08 2k4w h ALA 70 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k4w h ALA 70 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2k4w h ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2k4w n GLY 71 N 1.24 -1.07 1.04 0.00 0.00 0.28 -0.55 105.19 106.13 2k4w n GLY 71 Ca 0.03 -1.61 -0.08 0.00 0.00 0.00 0.00 46.02 44.35 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 -0.91 -2.07 0.70 -0.02 0.00 -1.26 -4.44 105.19 97.19 2k4w n GLY 72 Ca 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.48 2k4w n GLY 72 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2k4w n HIS 73 N -2.94 0.00 -3.79 1.61 8.25 -1.26 -1.75 115.22 115.33 2k4w n HIS 73 Ca 0.04 -0.07 -0.23 0.00 -0.26 0.00 0.00 57.72 57.20 2k4w n HIS 73 Cb 0.17 -0.08 0.02 0.00 1.12 0.00 0.00 29.99 31.21 2k4w n HIS 73 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2k4w n LEU 74 N 0.53 -2.81 -3.37 2.41 7.94 -1.26 -4.85 117.00 115.58 2k4w n LEU 74 Ca 0.00 -0.87 -0.09 0.00 -1.11 0.00 0.00 56.01 53.94 2k4w n LEU 74 Cb 0.12 -2.53 -0.08 0.00 0.53 0.00 0.00 43.42 41.46 2k4w n LEU 74 CO 0.00 0.42 -0.04 -0.62 -1.11 0.00 0.00 177.39 176.03 2k4w s ASP 75 N -4.27 0.17 0.15 1.96 -1.08 -1.26 -4.50 116.67 107.84 2k4w s ASP 75 Ca 0.07 0.30 0.23 0.00 -0.52 0.00 0.00 52.55 52.62 2k4w s ASP 75 Cb -0.03 1.15 -0.01 0.00 -1.46 0.00 0.00 42.92 42.57 2k4w s ASP 75 CO 0.84 -0.29 0.99 -0.81 0.52 0.00 0.00 175.17 176.41 2k4w n PRO 76 N 5.37 0.55 0.00 4.34 -0.04 -1.26 -4.60 135.00 139.36 2k4w n PRO 76 Ca -0.04 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 2k4w n PRO 76 Cb 0.50 -1.75 0.00 0.00 -0.04 0.00 0.00 33.50 32.21 2k4w n PRO 76 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2k4w n GLN 77 N -2.49 0.17 -0.06 0.54 6.02 -1.26 -4.91 117.38 115.39 2k4w n GLN 77 Ca -0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.96 2k4w n GLN 77 Cb 0.53 -0.02 0.22 0.00 1.02 0.00 0.00 30.24 31.99 2k4w n GLN 77 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 2k4w h ASN 78 N 0.00 0.64 0.00 1.08 2.35 -1.89 -3.42 115.58 114.34 2k4w h ASN 78 Ca 0.00 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.61 2k4w h ASN 78 Cb 0.00 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.20 2k4w h ASN 78 CO 0.00 0.71 0.00 1.07 -1.65 0.00 0.00 177.43 177.56 2k4w n THR 79 N -4.24 0.00 -0.64 2.81 5.66 -1.26 -4.71 114.28 111.90 2k4w n THR 79 Ca 0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.02 2k4w n THR 79 Cb 0.28 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.06 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 -0.48 0.67 0.00 1.09 0.00 -1.26 -4.86 105.19 100.35 2k4w n GLY 80 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.64 0.00 -3.62 1.61 2.85 -1.26 -4.91 118.16 110.19 2k4w n LYS 81 Ca 0.00 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.12 2k4w n LYS 81 Cb 0.00 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.31 2k4w n LYS 81 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 2k4w s HIS 82 N 1.55 -0.71 0.47 5.58 2.46 -1.26 -4.51 115.29 118.86 2k4w s HIS 82 Ca 0.00 1.68 -0.21 0.00 0.47 0.00 0.00 55.06 57.00 2k4w s HIS 82 Cb 0.00 0.31 -0.09 0.00 -0.13 0.00 0.00 32.58 32.66 2k4w s HIS 82 CO 0.00 -0.39 1.01 -1.83 -2.47 0.00 0.00 174.74 171.07 2k4w s GLU 83 N 0.11 3.94 0.00 2.88 -1.05 -1.12 -4.80 118.70 118.66 2k4w s GLU 83 Ca -0.01 1.30 0.00 0.00 -0.15 0.00 0.00 54.97 56.11 2k4w s GLU 83 Cb -0.04 -2.14 0.00 0.00 -0.44 0.00 0.00 34.13 31.51 2k4w s GLU 83 CO 0.01 -0.30 0.00 0.41 0.95 0.00 0.00 175.26 176.33 2k4w n GLY 84 N -0.33 1.58 0.38 -3.83 0.00 -1.25 -4.35 105.19 97.38 2k4w n GLY 84 Ca 0.08 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.40 2k4w n GLY 84 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2k4w n PRO 85 N 0.00 0.57 0.00 1.61 -0.04 -1.26 -3.90 135.00 131.97 2k4w n PRO 85 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2k4w n PRO 85 Cb 0.00 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 2k4w n PRO 85 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2k4w n GLU 86 N 0.04 5.51 -0.13 0.54 1.02 -1.26 -5.05 120.64 121.31 2k4w n GLU 86 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2k4w n GLU 86 Cb 0.11 -0.49 0.00 0.00 -0.02 0.00 0.00 31.44 31.04 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 1.01 1.43 3.57 0.62 0.00 -1.25 -4.99 105.19 105.58 2k4w n GLY 87 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.46 3.60 0.26 1.61 0.74 -1.26 -4.91 119.66 119.24 2k4w s GLN 88 Ca 0.00 -1.56 0.05 0.00 0.05 0.00 0.00 55.36 53.90 2k4w s GLN 88 Cb 0.00 -5.43 -0.02 0.00 1.10 0.00 0.00 33.01 28.66 2k4w s GLN 88 CO 0.00 -2.55 0.18 0.41 -0.55 0.00 0.00 175.29 172.79 2k4w n GLY 89 N 5.92 3.27 3.92 2.59 0.00 -1.26 -2.79 105.19 116.84 2k4w n GLY 89 Ca 0.44 -1.89 -0.26 0.00 0.00 0.00 0.00 46.02 44.31 2k4w n GLY 89 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2k4w s HIS 90 N -2.92 3.50 -0.98 1.61 -3.43 -1.26 -4.61 115.29 107.20 2k4w s HIS 90 Ca 0.26 0.56 0.05 0.00 -0.80 0.00 0.00 55.06 55.13 2k4w s HIS 90 Cb 0.01 -2.06 0.21 0.00 -1.43 0.00 0.00 32.58 29.31 2k4w s HIS 90 CO 0.18 0.06 1.16 1.47 -2.00 0.00 0.00 174.74 175.61 2k4w n LEU 91 N -1.56 0.02 -0.51 5.38 -0.00 -1.26 -1.22 117.00 117.85 2k4w n LEU 91 Ca -0.02 0.51 0.09 0.00 -0.00 0.00 0.00 56.01 56.58 2k4w n LEU 91 Cb 0.55 -0.51 0.20 0.00 -0.00 0.00 0.00 43.42 43.67 2k4w n LEU 91 CO 0.49 -0.43 0.64 0.61 -0.00 0.00 0.00 177.39 178.70 2k4w n GLY 92 N -1.04 4.42 3.74 1.47 0.00 -1.26 -4.65 105.19 107.87 2k4w n GLY 92 Ca 0.01 -1.08 -0.41 0.00 0.00 0.00 0.00 46.02 44.54 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 -2.37 7.15 0.12 1.61 1.11 -0.36 -2.88 116.67 121.06 2k4w s ASP 93 Ca 0.37 2.17 -0.14 0.00 0.18 0.00 0.00 52.55 55.13 2k4w s ASP 93 Cb 0.31 -2.60 0.02 0.00 1.07 0.00 0.00 42.92 41.72 2k4w s ASP 93 CO 0.06 -0.32 0.35 -0.76 1.18 0.00 0.00 175.17 175.69 2k4w s LEU 94 N -0.23 0.64 0.80 1.23 1.02 -1.26 -4.89 118.68 115.99 2k4w s LEU 94 Ca 0.52 -0.42 -0.12 0.00 0.02 0.00 0.00 54.13 54.12 2k4w s LEU 94 Cb -0.31 1.65 0.08 0.00 0.02 0.00 0.00 46.19 47.62 2k4w s LEU 94 CO 0.36 -0.84 1.16 -2.16 0.02 0.00 0.00 176.35 174.88 2k4w s PRO 95 N -3.83 2.02 0.26 1.29 0.04 -1.26 -4.76 135.00 128.76 2k4w s PRO 95 Ca 0.04 0.22 -0.25 0.00 0.04 0.00 0.00 61.00 61.05 2k4w s PRO 95 Cb 0.02 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.53 2k4w s PRO 95 CO -0.11 -1.58 0.86 0.14 0.04 0.00 0.00 177.00 176.36 2k4w s VAL 96 N -3.48 4.29 -0.89 -0.36 -7.23 -1.26 -3.93 120.40 107.53 2k4w s VAL 96 Ca 0.61 1.73 -0.24 0.00 -1.81 0.00 0.00 61.98 62.27 2k4w s VAL 96 Cb -0.12 -4.05 0.01 0.00 0.56 0.00 0.00 36.38 32.78 2k4w s VAL 96 CO 0.50 0.28 1.62 -0.22 -0.31 0.00 0.00 175.10 176.98 2k4w s LEU 97 N -1.73 3.32 0.23 1.32 1.98 0.14 -4.89 118.68 119.06 2k4w s LEU 97 Ca 0.44 -0.86 -0.30 0.00 -2.89 0.00 0.00 54.13 50.53 2k4w s LEU 97 Cb -0.20 -2.56 -0.09 0.00 0.66 0.00 0.00 46.19 44.00 2k4w s LEU 97 CO 0.25 -2.03 1.11 -0.69 -1.89 0.00 0.00 176.35 173.09 2k4w s VAL 98 N 7.10 3.65 0.02 1.68 1.01 -1.26 -1.11 120.40 131.49 2k4w s VAL 98 Ca 0.54 1.54 0.06 0.00 0.00 0.00 0.00 61.98 64.12 2k4w s VAL 98 Cb -0.05 -3.98 -0.02 0.00 0.00 0.00 0.00 36.38 32.33 2k4w s VAL 98 CO 0.00 0.32 -0.19 -0.69 0.00 0.00 0.00 175.10 174.54 2k4w s VAL 99 N -0.71 1.49 0.36 2.92 1.01 0.13 -4.44 120.40 121.17 2k4w s VAL 99 Ca 0.47 -1.01 0.04 0.00 0.00 0.00 0.00 61.98 61.48 2k4w s VAL 99 Cb -0.31 -1.29 -0.01 0.00 0.00 0.00 0.00 36.38 34.78 2k4w s VAL 99 CO 0.38 0.25 0.53 0.54 0.00 0.00 0.00 175.10 176.79 2k4w s ASN 100 N -0.90 5.96 0.61 3.32 2.20 -0.23 -4.11 114.94 121.80 2k4w s ASN 100 Ca 0.06 -0.01 0.19 0.00 -0.94 0.00 0.00 52.86 52.17 2k4w s ASN 100 Cb -0.08 -1.39 0.66 0.00 -2.00 0.00 0.00 41.25 38.44 2k4w s ASN 100 CO 0.01 -0.49 1.20 -0.46 -2.94 0.00 0.00 177.10 174.42 2k4w n ASN 101 N -1.76 0.00 0.19 3.54 0.23 -1.25 -1.16 115.26 115.04 2k4w n ASN 101 Ca -0.00 0.68 0.07 0.00 -0.53 0.00 0.00 54.58 54.80 2k4w n ASN 101 Cb 0.58 -0.19 0.22 0.00 -2.08 0.00 0.00 39.78 38.31 2k4w n ASN 101 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2k4w h ASP 102 N 0.00 0.00 0.00 0.53 3.32 -1.94 -3.46 116.42 114.87 2k4w h ASP 102 Ca 0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.41 2k4w h ASP 102 Cb 2.65 0.00 0.00 0.00 0.22 0.00 0.00 39.33 42.20 2k4w h ASP 102 CO -0.00 0.30 0.00 0.61 -1.72 0.00 0.00 179.24 178.42 2k4w n GLY 103 N 0.81 0.90 3.31 2.75 0.00 -0.31 -4.89 105.19 107.76 2k4w n GLY 103 Ca 0.02 -0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 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 3.39 -0.17 -0.61 1.01 -1.17 -1.51 121.20 120.14 2k4w s ILE 104 Ca 0.00 -0.49 -0.16 0.00 0.00 0.00 0.00 60.65 60.00 2k4w s ILE 104 Cb 0.00 -2.54 -0.04 0.00 0.01 0.00 0.00 42.46 39.89 2k4w s ILE 104 CO 0.00 0.42 0.41 0.00 0.00 0.00 0.00 174.94 175.77 2k4w s ALA 105 N 1.48 3.54 0.00 9.38 0.00 -0.16 -1.07 121.76 134.93 2k4w s ALA 105 Ca 0.06 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 51.61 2k4w s ALA 105 Cb -0.14 -2.60 0.00 0.00 0.00 0.00 0.00 23.12 20.38 2k4w s ALA 105 CO -0.03 -0.14 0.04 -2.37 0.00 0.00 0.00 175.76 173.26 2k4w n THR 106 N 4.01 0.00 -3.40 0.00 5.66 -1.25 -3.09 114.28 116.21 2k4w n THR 106 Ca -0.08 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.54 2k4w n THR 106 Cb 0.51 0.29 -0.06 0.00 -1.55 0.00 0.00 70.33 69.53 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 4.13 0.36 1.09 2.02 -1.26 -4.79 118.70 120.25 2k4w s GLU 107 Ca 0.00 0.47 -0.27 0.00 0.02 0.00 0.00 54.97 55.18 2k4w s GLU 107 Cb 0.00 -3.31 -0.09 0.00 0.10 0.00 0.00 34.13 30.83 2k4w s GLU 107 CO 0.00 0.47 1.23 -1.25 0.02 0.00 0.00 175.26 175.73 2k4w s PRO 108 N -0.39 4.24 0.24 0.39 0.04 -1.26 -4.31 135.00 133.95 2k4w s PRO 108 Ca 0.25 2.02 0.06 0.00 0.04 0.00 0.00 61.00 63.38 2k4w s PRO 108 Cb -0.16 -2.91 -0.05 0.00 0.04 0.00 0.00 34.50 31.41 2k4w s PRO 108 CO 0.13 -0.22 -0.08 0.08 0.04 0.00 0.00 177.00 176.95 2k4w s VAL 109 N -1.25 1.57 -0.08 -0.36 1.01 0.05 -5.01 120.40 116.32 2k4w s VAL 109 Ca 0.52 -2.14 -0.07 0.00 0.00 0.00 0.00 61.98 60.29 2k4w s VAL 109 Cb -0.35 -2.27 0.02 0.00 0.00 0.00 0.00 36.38 33.78 2k4w s VAL 109 CO 0.46 -0.42 0.22 -0.89 0.00 0.00 0.00 175.10 174.46 2k4w s THR 110 N -3.07 -0.00 -0.67 3.92 2.01 -1.26 -0.04 115.64 116.53 2k4w s THR 110 Ca 0.26 0.01 -0.12 0.00 0.31 0.00 0.00 61.69 62.15 2k4w s THR 110 Cb 0.02 -0.31 0.17 0.00 0.01 0.00 0.00 72.50 72.40 2k4w s THR 110 CO 0.09 0.00 0.59 0.00 -0.69 0.00 0.00 174.62 174.61 2k4w s ALA 111 N 0.15 3.80 -1.49 7.40 0.00 -0.25 -4.75 121.76 126.61 2k4w s ALA 111 Ca -0.00 -3.00 0.18 0.00 0.00 0.00 0.00 51.96 49.13 2k4w s ALA 111 Cb -0.02 -3.22 0.93 0.00 0.00 0.00 0.00 23.12 20.81 2k4w s ALA 111 CO -0.00 -2.13 1.53 -0.35 0.00 0.00 0.00 175.76 174.81 2k4w n PRO 112 N 4.35 0.29 0.00 0.00 -0.04 -1.12 -1.88 135.00 136.60 2k4w n PRO 112 Ca 0.03 0.10 0.09 0.00 -0.04 0.00 0.00 63.50 63.69 2k4w n PRO 112 Cb 0.43 -1.50 0.45 0.00 -0.04 0.00 0.00 33.50 32.84 2k4w n PRO 112 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2k4w n ARG 113 N -1.25 0.14 -4.64 0.54 0.63 -1.26 -4.72 116.66 106.09 2k4w n ARG 113 Ca 0.09 0.14 -0.29 0.00 -0.92 0.00 0.00 57.85 56.87 2k4w n ARG 113 Cb 0.13 -1.50 -0.08 0.00 0.45 0.00 0.00 32.46 31.46 2k4w n ARG 113 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2k4w s LEU 114 N -2.79 2.22 0.00 6.15 1.43 -1.14 -4.93 118.68 119.61 2k4w s LEU 114 Ca 0.14 -1.63 0.00 0.00 -1.03 0.00 0.00 54.13 51.61 2k4w s LEU 114 Cb 0.13 -0.48 0.00 0.00 0.03 0.00 0.00 46.19 45.86 2k4w s LEU 114 CO 0.33 -0.84 0.00 1.17 0.23 0.00 0.00 176.35 177.23 2k4w n LYS 115 N -1.08 4.36 -4.01 1.70 3.00 -1.26 -3.94 118.16 116.93 2k4w n LYS 115 Ca -0.12 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.10 2k4w n LYS 115 Cb 0.66 -0.39 -0.08 0.00 0.00 0.00 0.00 35.03 35.22 2k4w n LYS 115 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2k4w s SER 116 N -0.07 0.21 0.08 3.14 0.15 -1.26 -4.39 113.70 111.56 2k4w s SER 116 Ca 0.00 -0.94 -0.14 0.00 0.70 0.00 0.00 55.95 55.57 2k4w s SER 116 Cb 0.00 0.34 -0.20 0.00 -1.71 0.00 0.00 66.02 64.45 2k4w s SER 116 CO 0.00 -0.76 1.24 0.25 1.20 0.00 0.00 173.24 175.17 2k4w h LEU 117 N 2.78 0.92 -2.01 3.45 7.12 -1.96 -3.37 115.31 122.23 2k4w h LEU 117 Ca -0.34 -0.69 -0.02 0.00 0.13 0.00 0.00 57.88 56.97 2k4w h LEU 117 Cb 1.20 -0.28 -0.00 0.00 -0.53 0.00 0.00 40.66 41.05 2k4w h LEU 117 CO 0.56 1.47 -0.07 -0.78 -0.13 0.00 0.00 178.44 179.49 2k4w h ASP 118 N 0.44 0.00 1.13 1.25 3.58 -1.99 0.04 116.42 120.87 2k4w h ASP 118 Ca -0.09 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.35 2k4w h ASP 118 Cb 1.55 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.60 2k4w h ASP 118 CO 0.18 0.07 -0.02 1.05 -2.88 0.00 0.00 179.24 177.65 2k4w h GLU 119 N 0.00 0.00 -0.06 0.28 4.11 -2.02 -3.21 114.58 113.69 2k4w h GLU 119 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2k4w h GLU 119 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2k4w h GLU 119 CO 0.01 0.02 0.00 1.33 0.07 0.00 0.00 179.01 180.44 2k4w n VAL 120 N -3.12 0.88 0.16 -1.06 0.24 -0.06 -4.82 118.33 110.56 2k4w n VAL 120 Ca 0.01 -0.94 0.02 0.00 -2.04 0.00 0.00 64.34 61.39 2k4w n VAL 120 Cb 0.34 0.57 0.08 0.00 -1.47 0.00 0.00 33.84 33.36 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 -0.27 0.06 -0.85 7.34 2.85 -0.84 -3.04 118.16 123.41 2k4w n LYS 121 Ca 0.02 0.20 0.02 0.00 -1.05 0.00 0.00 58.31 57.50 2k4w n LYS 121 Cb 0.25 -1.50 0.03 0.00 -0.65 0.00 0.00 35.03 33.16 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 -1.22 0.62 -4.25 -5.58 2.03 -1.26 -4.03 116.55 102.85 2k4w n ASP 122 Ca 0.02 -2.17 -0.15 0.00 0.52 0.00 0.00 54.79 53.01 2k4w n ASP 122 Cb 0.02 -0.27 -0.10 0.00 -0.72 0.00 0.00 41.12 40.05 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 -0.35 1.06 0.21 -0.67 -0.14 -1.17 -4.67 119.74 114.00 2k4w s LYS 123 Ca 0.17 -1.39 -0.07 0.00 -1.36 0.00 0.00 55.97 53.31 2k4w s LYS 123 Cb 0.18 -0.73 -0.06 0.00 -1.68 0.00 0.00 37.83 35.54 2k4w s LYS 123 CO -0.07 0.11 0.49 0.00 -0.76 0.00 0.00 175.35 175.12 2k4w s ALA 124 N -2.95 3.66 -0.12 5.17 0.00 -0.02 -2.33 121.76 125.16 2k4w s ALA 124 Ca 0.15 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 51.69 2k4w s ALA 124 Cb 0.00 -2.30 0.02 0.00 0.00 0.00 0.00 23.12 20.84 2k4w s ALA 124 CO 0.02 0.53 -0.11 -0.51 0.00 0.00 0.00 175.76 175.69 2k4w s LEU 125 N -2.86 1.43 -0.17 0.00 1.02 -0.33 -0.99 118.68 116.78 2k4w s LEU 125 Ca 0.45 -0.38 -0.07 0.00 0.02 0.00 0.00 54.13 54.15 2k4w s LEU 125 Cb -0.11 -0.98 -0.04 0.00 0.02 0.00 0.00 46.19 45.07 2k4w s LEU 125 CO 0.24 -0.08 0.07 -0.04 0.02 0.00 0.00 176.35 176.56 2k4w s MET 126 N 1.51 3.89 -0.22 1.70 -1.94 -0.54 -0.82 119.30 122.88 2k4w s MET 126 Ca 0.03 -0.31 -0.17 0.00 -1.71 0.00 0.00 55.69 53.53 2k4w s MET 126 Cb -0.13 -3.21 -0.03 0.00 2.01 0.00 0.00 34.83 33.47 2k4w s MET 126 CO -0.08 0.36 0.45 0.42 -0.01 0.00 0.00 175.02 176.15 2k4w s ILE 127 N 0.14 5.15 -0.04 2.53 1.01 0.42 -2.36 121.20 128.04 2k4w s ILE 127 Ca 0.06 0.78 0.03 0.00 0.00 0.00 0.00 60.65 61.52 2k4w s ILE 127 Cb -0.12 -3.77 -0.03 0.00 0.01 0.00 0.00 42.46 38.55 2k4w s ILE 127 CO 0.00 0.19 -0.12 -1.00 0.00 0.00 0.00 174.94 174.02 2k4w s HIS 128 N 1.67 2.78 0.18 3.97 3.76 -0.02 -0.50 115.29 127.12 2k4w s HIS 128 Ca 0.20 -0.10 -0.11 0.00 -0.15 0.00 0.00 55.06 54.90 2k4w s HIS 128 Cb -0.15 -1.64 0.08 0.00 1.11 0.00 0.00 32.58 31.98 2k4w s HIS 128 CO 0.09 0.25 1.71 0.28 -0.85 0.00 0.00 174.74 176.22 2k4w h VAL 129 N 4.22 1.25 -1.94 -0.90 2.07 -0.59 -1.85 116.25 118.51 2k4w h VAL 129 Ca -0.47 -0.84 -0.48 0.00 0.82 0.00 0.00 66.70 65.73 2k4w h VAL 129 Cb 1.16 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 2k4w h VAL 129 CO 0.51 0.32 -0.44 -0.83 0.02 0.00 0.00 177.57 177.15 2k4w s GLY 130 N -3.27 1.61 -1.05 2.17 0.00 -0.92 -4.68 107.32 101.18 2k4w s GLY 130 Ca -0.13 -1.52 -0.20 0.00 0.00 0.00 0.00 44.72 42.87 2k4w s GLY 130 CO 0.81 -1.48 1.41 -0.32 0.00 0.00 0.00 173.10 173.52 2k4w s GLY 131 N -4.00 1.58 0.06 0.20 0.00 -1.26 -1.33 107.32 102.57 2k4w s GLY 131 Ca 0.39 -2.58 -0.30 0.00 0.00 0.00 0.00 44.72 42.23 2k4w s GLY 131 CO 0.27 2.47 1.84 -0.35 0.00 0.00 0.00 173.10 177.33 2k4w s ASP 132 N 4.35 6.49 0.00 1.64 2.15 -1.26 -4.25 116.67 125.79 2k4w s ASP 132 Ca 0.44 2.63 0.00 0.00 0.43 0.00 0.00 52.55 56.04 2k4w s ASP 132 Cb -0.01 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.06 2k4w s ASP 132 CO -0.06 -1.00 0.00 -3.20 -0.17 0.00 0.00 175.17 170.74 2k4w n ASN 133 N 6.55 0.00 -3.24 -0.34 2.85 -1.26 -4.97 115.26 114.85 2k4w n ASN 133 Ca 0.18 0.00 -0.28 0.00 -0.11 0.00 0.00 54.58 54.37 2k4w n ASN 133 Cb 0.40 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.40 2k4w n ASN 133 CO 0.00 0.00 0.00 1.15 -2.11 0.00 0.00 177.26 176.30 2k4w n MET 134 N 0.00 2.60 0.25 1.20 0.00 -1.26 -3.89 117.12 116.02 2k4w n MET 134 Ca 0.00 -1.72 0.15 0.00 0.00 0.00 0.00 57.70 56.13 2k4w n MET 134 Cb 0.00 -2.59 0.47 0.00 0.00 0.00 0.00 33.22 31.10 2k4w n MET 134 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 2k4w h SER 135 N 5.93 0.00 -0.79 3.17 0.87 -1.87 -3.36 113.55 117.50 2k4w h SER 135 Ca 0.62 0.00 -0.70 0.00 -1.23 0.00 0.00 61.79 60.47 2k4w h SER 135 Cb 0.22 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 62.09 2k4w h SER 135 CO 1.57 0.03 2.38 -0.67 -0.53 0.00 0.00 176.83 179.61 2k4w n ASP 136 N -3.12 4.66 -3.55 6.23 2.03 -1.26 -4.82 116.55 116.72 2k4w n ASP 136 Ca 0.02 -2.92 -0.08 0.00 0.52 0.00 0.00 54.79 52.33 2k4w n ASP 136 Cb 0.41 -1.68 -0.03 0.00 -0.72 0.00 0.00 41.12 39.09 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 3.30 0.63 0.00 -0.67 -2.07 -1.26 -5.04 119.66 114.55 2k4w s GLN 137 Ca 0.49 -0.12 0.25 0.00 -1.82 0.00 0.00 55.36 54.16 2k4w s GLN 137 Cb 0.07 0.29 1.07 0.00 -1.09 0.00 0.00 33.01 33.35 2k4w s GLN 137 CO 0.01 -0.25 1.79 -0.35 -1.32 0.00 0.00 175.29 175.17 2k4w n PRO 138 N 0.10 0.03 -3.12 9.60 -0.04 -1.26 -4.59 135.00 135.72 2k4w n PRO 138 Ca -0.07 0.08 -0.44 0.00 -0.04 0.00 0.00 63.50 63.03 2k4w n PRO 138 Cb 0.60 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.50 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 -2.97 3.16 0.74 0.54 1.02 -1.26 -5.05 119.74 115.93 2k4w s LYS 139 Ca 0.13 -0.76 -0.11 0.00 0.02 0.00 0.00 55.97 55.25 2k4w s LYS 139 Cb 0.16 -4.07 0.03 0.00 -0.52 0.00 0.00 37.83 33.43 2k4w s LYS 139 CO 0.44 -1.22 1.08 -1.25 -0.92 0.00 0.00 175.35 173.48 2k4w s PRO 140 N 2.78 2.56 -1.61 -1.68 0.04 -1.26 -2.69 135.00 133.13 2k4w s PRO 140 Ca 0.17 1.04 -0.02 0.00 0.04 0.00 0.00 61.00 62.24 2k4w s PRO 140 Cb -0.18 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.43 2k4w s PRO 140 CO 0.13 -1.39 0.26 1.28 0.04 0.00 0.00 177.00 177.32 2k4w n LEU 141 N -3.34 -2.13 -0.10 -3.56 4.32 -1.26 -1.62 117.00 109.31 2k4w n LEU 141 Ca 0.08 -0.12 -0.01 0.00 -0.02 0.00 0.00 56.01 55.94 2k4w n LEU 141 Cb 0.53 -2.85 -0.01 0.00 -1.62 0.00 0.00 43.42 39.48 2k4w n LEU 141 CO 0.55 -0.02 -0.01 0.61 -1.22 0.00 0.00 177.39 177.29 2k4w n GLY 142 N -1.20 0.38 3.34 -0.72 0.00 -1.24 -1.35 105.19 104.41 2k4w n GLY 142 Ca -0.18 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.14 2.95 0.13 -0.02 0.00 -0.64 -4.89 105.19 101.57 2k4w n GLY 143 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.69 0.13 -0.02 0.00 -0.45 -4.43 105.19 97.72 2k4w n GLY 144 Ca 0.00 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.03 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 0.69 -1.23 3.66 -0.02 0.00 -1.22 -2.17 105.19 104.90 2k4w n GLY 145 Ca 0.06 0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 2k4w n GLY 145 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k4w n THR 146 N -2.21 2.56 -3.66 2.61 -2.24 -1.26 -4.83 114.28 105.25 2k4w n THR 146 Ca 0.02 -0.29 -0.37 0.00 -2.27 0.00 0.00 64.05 61.13 2k4w n THR 146 Cb 0.21 -1.18 -0.06 0.00 -2.10 0.00 0.00 70.33 67.20 2k4w n THR 146 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2k4w s ARG 147 N -3.75 3.78 -0.03 -0.78 1.81 -1.26 -0.70 118.95 118.03 2k4w s ARG 147 Ca 0.74 0.15 0.21 0.00 -1.72 0.00 0.00 55.73 55.11 2k4w s ARG 147 Cb -0.32 -3.24 -0.31 0.00 -0.45 0.00 0.00 34.95 30.63 2k4w s ARG 147 CO 0.50 0.66 0.51 0.98 -0.68 0.00 0.00 175.30 177.26 2k4w n TYR 148 N 2.15 0.00 -3.82 -0.53 9.36 0.34 -4.72 117.16 119.95 2k4w n TYR 148 Ca -0.16 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 60.98 2k4w n TYR 148 Cb 0.53 -0.42 -0.02 0.00 -0.63 0.00 0.00 39.34 38.80 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 -3.39 -1.18 0.02 2.98 0.00 -0.82 -4.62 121.76 114.75 2k4w s ALA 149 Ca -0.06 -0.26 -0.19 0.00 0.00 0.00 0.00 51.96 51.45 2k4w s ALA 149 Cb 0.14 0.87 0.04 0.00 0.00 0.00 0.00 23.12 24.16 2k4w s ALA 149 CO 0.87 -0.99 0.41 0.00 0.00 0.00 0.00 175.76 176.05 2k4w s GLY 151 N -1.78 1.02 -0.01 0.00 0.00 -0.00 -0.46 107.32 106.09 2k4w s GLY 151 Ca -0.08 -1.19 0.01 0.00 0.00 0.00 0.00 44.72 43.47 2k4w s GLY 151 CO 0.00 -0.70 -0.04 0.54 0.00 0.00 0.00 173.10 172.90 2k4w s VAL 152 N -2.73 0.35 0.06 1.40 0.11 -1.18 -1.18 120.40 117.24 2k4w s VAL 152 Ca 0.24 -0.17 -0.13 0.00 -2.93 0.00 0.00 61.98 58.99 2k4w s VAL 152 Cb -0.02 -0.31 -0.06 0.00 -1.53 0.00 0.00 36.38 34.46 2k4w s VAL 152 CO 0.17 0.11 0.44 -0.63 -3.33 0.00 0.00 175.10 171.85 2k4w s ILE 153 N -0.00 5.01 -1.68 7.04 1.01 -0.99 -4.22 121.20 127.37 2k4w s ILE 153 Ca 0.01 0.70 0.00 0.00 0.00 0.00 0.00 60.65 61.35 2k4w s ILE 153 Cb -0.03 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 38.74 2k4w s ILE 153 CO -0.00 0.39 0.42 0.29 0.00 0.00 0.00 174.94 176.04