#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 -0.60 -0.14 0.00 0.01 -1.26 -0.78 113.70 110.93 2k4w s SER 2 Ca 0.00 0.96 -0.07 0.00 1.31 0.00 0.00 55.95 58.15 2k4w s SER 2 Cb 0.00 0.91 0.05 0.00 0.21 0.00 0.00 66.02 67.19 2k4w s SER 2 CO 0.00 -0.34 0.33 -0.70 0.41 0.00 0.00 173.24 172.94 2k4w s GLU 3 N -0.30 0.30 -0.55 12.44 2.12 0.33 -4.99 118.70 128.04 2k4w s GLU 3 Ca -0.02 0.65 -0.28 0.00 0.36 0.00 0.00 54.97 55.68 2k4w s GLU 3 Cb -0.03 -0.07 0.03 0.00 0.26 0.00 0.00 34.13 34.32 2k4w s GLU 3 CO 0.02 -0.16 1.14 0.21 -0.54 0.00 0.00 175.26 175.93 2k4w s LYS 4 N 1.30 3.53 -0.24 4.30 2.20 -1.26 -0.92 119.74 128.65 2k4w s LYS 4 Ca -0.09 0.24 -0.17 0.00 -0.36 0.00 0.00 55.97 55.59 2k4w s LYS 4 Cb -0.09 -4.00 -0.03 0.00 -1.51 0.00 0.00 37.83 32.20 2k4w s LYS 4 CO -0.10 -1.58 0.47 0.08 -0.36 0.00 0.00 175.35 173.85 2k4w s VAL 5 N 4.69 5.12 -0.52 4.02 1.01 0.43 -4.90 120.40 130.26 2k4w s VAL 5 Ca 0.42 0.81 -0.28 0.00 0.00 0.00 0.00 61.98 62.93 2k4w s VAL 5 Cb -0.08 -3.79 -0.00 0.00 0.00 0.00 0.00 36.38 32.51 2k4w s VAL 5 CO 0.26 0.15 1.61 -0.83 0.00 0.00 0.00 175.10 176.29 2k4w s GLY 6 N 1.36 0.70 -0.04 4.51 0.00 -1.26 -1.02 107.32 111.58 2k4w s GLY 6 Ca 0.20 -0.46 -0.21 0.00 0.00 0.00 0.00 44.72 44.25 2k4w s GLY 6 CO 0.09 3.05 0.60 1.06 0.00 0.00 0.00 173.10 177.90 2k4w s MET 7 N 5.91 4.35 0.00 2.90 -1.94 -1.21 -4.49 119.30 124.83 2k4w s MET 7 Ca 0.62 0.72 0.01 0.00 -1.71 0.00 0.00 55.69 55.33 2k4w s MET 7 Cb -0.14 -3.38 -0.04 0.00 2.01 0.00 0.00 34.83 33.28 2k4w s MET 7 CO 0.26 0.26 0.03 -0.80 -0.01 0.00 0.00 175.02 174.76 2k4w s ASN 8 N 0.19 5.34 0.44 3.03 -0.87 0.29 -3.98 114.94 119.37 2k4w s ASN 8 Ca 0.32 0.04 -0.26 0.00 -1.57 0.00 0.00 52.86 51.39 2k4w s ASN 8 Cb -0.18 -1.44 -0.09 0.00 -0.02 0.00 0.00 41.25 39.52 2k4w s ASN 8 CO 0.16 0.27 1.42 -0.76 -2.57 0.00 0.00 177.10 175.62 2k4w s LEU 9 N -1.69 4.15 0.12 0.60 1.43 0.11 -0.97 118.68 122.43 2k4w s LEU 9 Ca 0.21 2.91 -0.04 0.00 -1.03 0.00 0.00 54.13 56.18 2k4w s LEU 9 Cb -0.12 -3.90 -0.03 0.00 0.03 0.00 0.00 46.19 42.18 2k4w s LEU 9 CO 0.12 -1.11 0.13 0.68 0.23 0.00 0.00 176.35 176.40 2k4w s VAL 10 N -1.20 0.12 0.00 -1.59 -7.23 -0.92 -0.81 120.40 108.77 2k4w s VAL 10 Ca 0.59 -1.65 0.00 0.00 -1.81 0.00 0.00 61.98 59.12 2k4w s VAL 10 Cb -0.44 -1.81 0.00 0.00 0.56 0.00 0.00 36.38 34.69 2k4w s VAL 10 CO 0.56 -0.52 0.00 1.07 -0.31 0.00 0.00 175.10 175.90 2k4w n THR 11 N -0.09 0.00 0.00 5.32 5.66 -1.26 -4.54 114.28 119.37 2k4w n THR 11 Ca -0.09 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.91 2k4w n THR 11 Cb 0.63 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.41 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 0.00 0.00 0.31 1.79 0.00 -1.03 -4.61 120.51 116.97 2k4w n ALA 12 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 2k4w n ALA 12 Cb 0.00 0.00 0.69 0.00 0.00 0.00 0.00 19.45 20.14 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 0.00 0.00 0.00 0.00 1.08 -1.91 -3.43 115.11 110.86 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 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.29 2k4w n GLY 14 N -0.36 0.59 3.71 3.46 0.00 -1.26 -5.02 105.19 106.30 2k4w n GLY 14 Ca 0.00 -2.24 -0.42 0.00 0.00 0.00 0.00 46.02 43.37 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 -0.40 4.06 0.00 1.61 1.01 -1.26 -4.06 120.40 121.36 2k4w s VAL 15 Ca 0.00 1.46 0.00 0.00 0.00 0.00 0.00 61.98 63.44 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 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.80 2k4w n GLY 16 N 3.27 0.90 3.60 4.51 0.00 0.01 -5.03 105.19 112.45 2k4w n GLY 16 Ca 0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 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 0.25 1.49 0.21 1.61 -2.07 -1.25 -4.94 119.66 114.96 2k4w s GLN 17 Ca 0.00 -0.91 -0.06 0.00 -1.82 0.00 0.00 55.36 52.57 2k4w s GLN 17 Cb 0.00 0.54 -0.06 0.00 -1.09 0.00 0.00 33.01 32.40 2k4w s GLN 17 CO 0.00 -0.65 0.48 0.45 -1.32 0.00 0.00 175.29 174.25 2k4w s SER 18 N -2.89 6.52 0.00 12.60 0.15 -1.26 -0.72 113.70 128.10 2k4w s SER 18 Ca 0.11 0.73 0.00 0.00 0.70 0.00 0.00 55.95 57.48 2k4w s SER 18 Cb -0.02 -2.15 0.00 0.00 -1.71 0.00 0.00 66.02 62.14 2k4w s SER 18 CO 0.00 -0.06 0.65 2.30 1.20 0.00 0.00 173.24 177.34 2k4w n ILE 19 N -0.27 0.00 0.00 6.45 -0.00 -1.26 -4.98 119.36 119.30 2k4w n ILE 19 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.74 2k4w n ILE 19 Cb 0.53 0.60 0.00 0.00 -0.00 0.00 0.00 39.64 40.77 2k4w n ILE 19 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2k4w n GLY 20 N 0.00 1.81 3.63 3.28 0.00 -1.26 -2.47 105.19 110.18 2k4w n GLY 20 Ca 0.00 -1.81 -0.29 0.00 0.00 0.00 0.00 46.02 43.92 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 -1.46 1.46 -0.08 2.61 -4.23 -1.26 -3.36 115.64 109.33 2k4w s THR 21 Ca 0.00 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.55 2k4w s THR 21 Cb 0.00 -2.63 -0.00 0.00 1.34 0.00 0.00 72.50 71.21 2k4w s THR 21 CO 0.00 0.00 -0.22 -0.69 -0.54 0.00 0.00 174.62 173.17 2k4w s VAL 22 N -2.90 1.83 -0.16 2.29 1.01 -0.19 -2.85 120.40 119.43 2k4w s VAL 22 Ca 0.24 -0.91 -0.23 0.00 0.00 0.00 0.00 61.98 61.08 2k4w s VAL 22 Cb 0.06 -1.58 -0.02 0.00 0.00 0.00 0.00 36.38 34.84 2k4w s VAL 22 CO 0.12 0.51 0.74 0.54 0.00 0.00 0.00 175.10 177.01 2k4w s VAL 23 N 0.21 4.96 -0.19 2.92 0.11 -0.08 -0.43 120.40 127.90 2k4w s VAL 23 Ca -0.12 1.45 -0.07 0.00 -2.93 0.00 0.00 61.98 60.31 2k4w s VAL 23 Cb -0.16 -4.06 -0.04 0.00 -1.53 0.00 0.00 36.38 30.60 2k4w s VAL 23 CO 0.06 0.10 0.07 -0.63 -3.33 0.00 0.00 175.10 171.36 2k4w s ILE 24 N 1.80 4.74 -0.15 7.04 1.01 -0.10 -0.44 121.20 135.10 2k4w s ILE 24 Ca 0.35 -0.05 -0.03 0.00 0.00 0.00 0.00 60.65 60.92 2k4w s ILE 24 Cb -0.17 -3.15 0.05 0.00 0.01 0.00 0.00 42.46 39.21 2k4w s ILE 24 CO 0.13 0.44 0.06 -0.62 0.00 0.00 0.00 174.94 174.95 2k4w s ASP 25 N 0.55 2.26 -0.32 3.58 2.15 -0.04 -0.52 116.67 124.34 2k4w s ASP 25 Ca 0.03 -0.52 -0.29 0.00 0.43 0.00 0.00 52.55 52.21 2k4w s ASP 25 Cb -0.13 -0.36 -0.01 0.00 -0.30 0.00 0.00 42.92 42.12 2k4w s ASP 25 CO 0.01 -0.30 1.64 -0.70 -0.17 0.00 0.00 175.17 175.65 2k4w s GLU 26 N 2.04 3.54 0.24 4.34 2.12 0.04 -0.46 118.70 130.55 2k4w s GLU 26 Ca 0.02 1.37 0.06 0.00 0.36 0.00 0.00 54.97 56.78 2k4w s GLU 26 Cb -0.15 -4.10 -0.03 0.00 0.26 0.00 0.00 34.13 30.10 2k4w s GLU 26 CO -0.07 -1.61 0.26 -0.08 -0.54 0.00 0.00 175.26 173.21 2k4w s THR 27 N 6.00 4.77 0.41 -1.70 -1.32 0.72 -4.28 115.64 120.24 2k4w s THR 27 Ca 0.73 -1.23 0.39 0.00 -1.21 0.00 0.00 61.69 60.37 2k4w s THR 27 Cb -0.21 -3.58 0.41 0.00 -1.51 0.00 0.00 72.50 67.61 2k4w s THR 27 CO 0.32 -0.33 2.19 -0.08 -2.21 0.00 0.00 174.62 174.51 2k4w h GLU 28 N 1.42 0.00 -0.87 7.08 4.81 -1.95 0.12 114.58 125.19 2k4w h GLU 28 Ca -0.50 0.00 -0.46 0.00 -0.13 0.00 0.00 59.36 58.27 2k4w h GLU 28 Cb 1.23 0.00 -0.27 0.00 0.63 0.00 0.00 28.75 30.34 2k4w h GLU 28 CO 0.61 0.00 0.51 0.41 -0.73 0.00 0.00 179.01 179.81 2k4w n GLY 29 N -0.78 4.70 0.00 1.92 0.00 -1.26 -5.00 105.19 104.77 2k4w n GLY 29 Ca -0.02 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.78 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 -1.13 0.12 3.12 -0.02 0.00 0.43 -3.55 105.19 104.17 2k4w n GLY 30 Ca 0.55 -1.61 -0.33 0.00 0.00 0.00 0.00 46.02 44.63 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 3.16 -0.49 0.99 1.43 -1.08 -0.20 118.68 122.49 2k4w s LEU 31 Ca 0.00 -1.11 -0.28 0.00 -1.03 0.00 0.00 54.13 51.71 2k4w s LEU 31 Cb 0.00 -1.58 0.03 0.00 0.03 0.00 0.00 46.19 44.67 2k4w s LEU 31 CO 0.00 -0.14 1.12 -0.75 0.23 0.00 0.00 176.35 176.80 2k4w s LYS 32 N 1.21 3.66 -0.25 1.70 2.20 0.39 -0.63 119.74 128.03 2k4w s LYS 32 Ca -0.04 0.45 -0.18 0.00 -0.36 0.00 0.00 55.97 55.85 2k4w s LYS 32 Cb -0.18 -3.93 -0.03 0.00 -1.51 0.00 0.00 37.83 32.19 2k4w s LYS 32 CO -0.06 -1.41 0.52 0.12 -0.36 0.00 0.00 175.35 174.16 2k4w s PHE 33 N 4.43 3.29 -0.19 4.03 5.36 0.34 -0.86 117.98 134.39 2k4w s PHE 33 Ca 0.46 0.68 -0.00 0.00 -0.96 0.00 0.00 56.93 57.10 2k4w s PHE 33 Cb -0.08 -2.71 0.05 0.00 -0.34 0.00 0.00 43.02 39.94 2k4w s PHE 33 CO 0.30 -0.24 -0.05 0.99 -1.46 0.00 0.00 175.22 174.76 2k4w s THR 34 N 2.15 1.20 0.49 0.12 2.01 0.42 -1.49 115.64 120.53 2k4w s THR 34 Ca 0.22 -0.79 -0.10 0.00 0.31 0.00 0.00 61.69 61.33 2k4w s THR 34 Cb -0.16 -1.42 -0.05 0.00 0.01 0.00 0.00 72.50 70.88 2k4w s THR 34 CO 0.09 0.05 0.86 -2.16 -0.69 0.00 0.00 174.62 172.78 2k4w s PRO 35 N 1.58 3.71 -0.33 4.92 0.04 -1.26 -0.90 135.00 142.76 2k4w s PRO 35 Ca -0.01 0.54 0.15 0.00 0.04 0.00 0.00 61.00 61.72 2k4w s PRO 35 Cb -0.16 -2.28 0.43 0.00 0.04 0.00 0.00 34.50 32.53 2k4w s PRO 35 CO -0.07 -0.23 1.43 -2.39 0.04 0.00 0.00 177.00 175.78 2k4w n HIS 36 N -1.89 -1.32 -3.98 0.56 1.44 -1.10 -4.03 115.22 104.91 2k4w n HIS 36 Ca 0.03 -1.85 -0.36 0.00 -2.01 0.00 0.00 57.72 53.53 2k4w n HIS 36 Cb 0.54 1.14 -0.07 0.00 0.12 0.00 0.00 29.99 31.73 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 -3.98 4.23 -0.29 2.39 1.02 -1.16 -4.43 118.68 116.46 2k4w s LEU 37 Ca 0.14 0.40 0.09 0.00 0.02 0.00 0.00 54.13 54.77 2k4w s LEU 37 Cb 0.42 -2.06 0.48 0.00 0.02 0.00 0.00 46.19 45.05 2k4w s LEU 37 CO -0.10 0.39 1.39 2.29 0.02 0.00 0.00 176.35 180.34 2k4w n LYS 38 N 1.94 1.98 -2.87 1.70 2.85 -1.03 -0.89 118.16 121.83 2k4w n LYS 38 Ca -0.19 -3.33 -0.12 0.00 -1.05 0.00 0.00 58.31 53.61 2k4w n LYS 38 Cb 0.55 -1.83 0.03 0.00 -0.65 0.00 0.00 35.03 33.13 2k4w n LYS 38 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2k4w n ALA 39 N -1.08 -0.16 -3.09 0.58 0.00 -1.10 -4.75 120.51 110.91 2k4w n ALA 39 Ca 0.32 -1.99 -0.12 0.00 0.00 0.00 0.00 53.44 51.65 2k4w n ALA 39 Cb 0.93 -1.14 -0.05 0.00 0.00 0.00 0.00 19.45 19.18 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 -1.55 0.34 0.22 0.00 0.05 -1.20 -5.08 118.68 111.46 2k4w s LEU 40 Ca 0.30 -0.15 -0.30 0.00 0.05 0.00 0.00 54.13 54.03 2k4w s LEU 40 Cb 0.26 1.85 -0.09 0.00 -2.05 0.00 0.00 46.19 46.16 2k4w s LEU 40 CO -0.14 -0.77 0.94 -2.16 -0.55 0.00 0.00 176.35 173.67 2k4w s PRO 41 N -3.19 4.83 0.00 1.48 0.04 -1.26 -4.38 135.00 132.52 2k4w s PRO 41 Ca -0.01 1.48 0.00 0.00 0.04 0.00 0.00 61.00 62.51 2k4w s PRO 41 Cb 0.01 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.25 2k4w s PRO 41 CO -0.08 0.48 1.00 -0.35 0.04 0.00 0.00 177.00 178.09 2k4w n PRO 42 N 1.68 0.90 0.00 0.56 -0.04 -1.26 -4.60 135.00 132.23 2k4w n PRO 42 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 2k4w n PRO 42 Cb 0.47 -1.05 0.00 0.00 -0.04 0.00 0.00 33.50 32.88 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 0.66 1.13 2.89 0.55 0.00 -1.26 -4.53 105.19 104.64 2k4w n GLY 43 Ca 0.00 -0.93 -0.17 0.00 0.00 0.00 0.00 46.02 44.92 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 2.47 0.48 -0.03 1.61 2.02 -1.26 -1.31 118.70 122.69 2k4w s GLU 44 Ca 0.00 -0.07 0.04 0.00 0.02 0.00 0.00 54.97 54.97 2k4w s GLU 44 Cb 0.00 -0.54 -0.01 0.00 0.10 0.00 0.00 34.13 33.68 2k4w s GLU 44 CO 0.00 -0.03 -0.16 -1.01 0.02 0.00 0.00 175.26 174.08 2k4w s HIS 45 N 0.57 1.51 0.74 1.61 3.76 -0.29 -1.34 115.29 121.84 2k4w s HIS 45 Ca -0.06 -0.36 -0.14 0.00 -0.15 0.00 0.00 55.06 54.35 2k4w s HIS 45 Cb -0.10 -1.00 0.04 0.00 1.11 0.00 0.00 32.58 32.64 2k4w s HIS 45 CO -0.01 -0.09 1.15 0.20 -0.85 0.00 0.00 174.74 175.14 2k4w s GLY 46 N -0.14 2.09 -0.13 -2.22 0.00 0.01 0.16 107.32 107.08 2k4w s GLY 46 Ca 0.01 0.64 -0.00 0.00 0.00 0.00 0.00 44.72 45.36 2k4w s GLY 46 CO 0.01 1.02 -0.07 -0.12 0.00 0.00 0.00 173.10 173.94 2k4w s PHE 47 N -2.33 1.54 0.24 1.90 5.36 -1.26 -0.94 117.98 122.48 2k4w s PHE 47 Ca 0.69 -0.82 0.11 0.00 -0.96 0.00 0.00 56.93 55.95 2k4w s PHE 47 Cb -0.24 -1.25 -0.05 0.00 -0.34 0.00 0.00 43.02 41.14 2k4w s PHE 47 CO 0.47 -0.54 -0.16 -1.01 -1.46 0.00 0.00 175.22 172.52 2k4w s HIS 48 N 1.69 2.41 -0.06 10.12 3.76 -0.80 -2.05 115.29 130.37 2k4w s HIS 48 Ca 0.04 -0.30 -0.07 0.00 -0.15 0.00 0.00 55.06 54.57 2k4w s HIS 48 Cb -0.13 -1.10 -0.04 0.00 1.11 0.00 0.00 32.58 32.41 2k4w s HIS 48 CO -0.08 0.62 0.21 0.42 -0.85 0.00 0.00 174.74 175.06 2k4w s ILE 49 N -2.15 5.39 0.01 0.60 1.01 -0.59 -1.27 121.20 124.19 2k4w s ILE 49 Ca 0.27 0.22 0.05 0.00 0.00 0.00 0.00 60.65 61.19 2k4w s ILE 49 Cb -0.07 -3.50 -0.02 0.00 0.01 0.00 0.00 42.46 38.89 2k4w s ILE 49 CO 0.14 0.51 -0.15 -1.00 0.00 0.00 0.00 174.94 174.44 2k4w s HIS 50 N -1.15 1.37 0.47 3.97 3.76 0.05 -1.47 115.29 122.30 2k4w s HIS 50 Ca 0.21 -0.29 0.15 0.00 -0.15 0.00 0.00 55.06 54.98 2k4w s HIS 50 Cb -0.13 -0.86 1.11 0.00 1.11 0.00 0.00 32.58 33.81 2k4w s HIS 50 CO 0.10 0.00 2.05 0.00 -0.85 0.00 0.00 174.74 176.04 2k4w h ALA 51 N 5.48 1.78 -3.13 -1.40 0.00 -0.56 -2.22 119.26 119.21 2k4w h ALA 51 Ca -0.36 -0.11 -0.64 0.00 0.00 0.00 0.00 54.91 53.80 2k4w h ALA 51 Cb 1.16 -0.02 -0.18 0.00 0.00 0.00 0.00 17.79 18.75 2k4w h ALA 51 CO 0.47 0.15 -0.82 -0.80 0.00 0.00 0.00 179.25 178.25 2k4w s ASN 52 N -6.99 3.34 -1.15 0.00 0.01 0.01 -4.65 114.94 105.50 2k4w s ASN 52 Ca -0.04 -0.87 -0.19 0.00 -0.71 0.00 0.00 52.86 51.05 2k4w s ASN 52 Cb 0.16 -0.24 0.09 0.00 0.41 0.00 0.00 41.25 41.67 2k4w s ASN 52 CO 0.68 0.10 1.51 -0.83 -1.51 0.00 0.00 177.10 177.05 2k4w s GLY 53 N -2.69 1.74 -0.33 0.66 0.00 -1.25 -1.54 107.32 103.91 2k4w s GLY 53 Ca 0.20 -2.82 -0.01 0.00 0.00 0.00 0.00 44.72 42.10 2k4w s GLY 53 CO 0.10 2.47 0.80 -0.45 0.00 0.00 0.00 173.10 176.02 2k4w s SER 54 N 4.05 -1.06 0.00 1.64 0.15 -1.26 -4.87 113.70 112.35 2k4w s SER 54 Ca 0.46 -0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.96 2k4w s SER 54 Cb 0.00 1.52 0.00 0.00 -1.71 0.00 0.00 66.02 65.84 2k4w s SER 54 CO -0.01 -0.16 0.11 0.00 1.20 0.00 0.00 173.24 174.38 2k4w s GLN 56 N -1.98 4.40 0.57 0.00 1.11 -1.26 -4.52 119.66 117.98 2k4w s GLN 56 Ca 0.00 0.79 -0.16 0.00 0.01 0.00 0.00 55.36 56.01 2k4w s GLN 56 Cb 0.00 -3.46 -0.05 0.00 -1.01 0.00 0.00 33.01 28.49 2k4w s GLN 56 CO 0.00 0.05 1.02 -1.25 0.01 0.00 0.00 175.29 175.12 2k4w s PRO 57 N 0.89 3.59 0.43 2.91 0.04 -1.26 -0.74 135.00 140.86 2k4w s PRO 57 Ca 0.35 1.06 -0.24 0.00 0.04 0.00 0.00 61.00 62.21 2k4w s PRO 57 Cb -0.17 -2.08 -0.08 0.00 0.04 0.00 0.00 34.50 32.21 2k4w s PRO 57 CO 0.16 -0.58 1.16 0.00 0.04 0.00 0.00 177.00 177.79 2k4w s ALA 58 N -2.60 3.06 -0.23 8.56 0.00 -1.26 -4.78 121.76 124.52 2k4w s ALA 58 Ca 0.61 0.94 -0.14 0.00 0.00 0.00 0.00 51.96 53.37 2k4w s ALA 58 Cb -0.13 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 2k4w s ALA 58 CO 0.36 -0.58 0.30 0.42 0.00 0.00 0.00 175.76 176.26 2k4w s ILE 59 N -1.49 5.25 -0.08 0.00 -1.09 -1.26 -1.03 121.20 121.50 2k4w s ILE 59 Ca 0.60 0.48 -0.30 0.00 -2.23 0.00 0.00 60.65 59.20 2k4w s ILE 59 Cb -0.29 -3.64 0.12 0.00 -1.58 0.00 0.00 42.46 37.07 2k4w s ILE 59 CO 0.36 0.27 0.99 -1.59 -1.23 0.00 0.00 174.94 173.74 2k4w s LYS 60 N 1.39 0.65 -1.55 2.79 -2.85 -0.61 -5.00 119.74 114.55 2k4w s LYS 60 Ca 0.14 -0.16 0.00 0.00 -1.00 0.00 0.00 55.97 54.95 2k4w s LYS 60 Cb -0.15 0.30 0.00 0.00 -2.06 0.00 0.00 37.83 35.92 2k4w s LYS 60 CO 0.07 -0.27 0.00 -0.25 0.10 0.00 0.00 175.35 175.00 2k4w n ASP 61 N -0.00 -5.03 -0.06 0.03 8.00 -1.26 -1.35 116.55 116.88 2k4w n ASP 61 Ca -0.07 0.10 -0.01 0.00 0.71 0.00 0.00 54.79 55.52 2k4w n ASP 61 Cb 0.60 -4.10 -0.00 0.00 -0.02 0.00 0.00 41.12 37.60 2k4w n ASP 61 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k4w n GLY 62 N -0.98 0.47 0.00 0.44 0.00 -1.26 -4.95 105.19 98.91 2k4w n GLY 62 Ca -0.19 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.63 2k4w n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4w n GLN 63 N -2.43 0.00 -3.64 1.61 10.64 -0.46 -5.20 117.38 117.90 2k4w n GLN 63 Ca -0.01 0.00 -0.15 0.00 -1.83 0.00 0.00 57.00 55.01 2k4w n GLN 63 Cb 0.09 0.00 -0.08 0.00 -0.86 0.00 0.00 30.24 29.40 2k4w n GLN 63 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2k4w s ALA 64 N -1.27 -1.41 -0.74 2.61 0.00 -1.26 -1.58 121.76 118.12 2k4w s ALA 64 Ca 0.00 1.22 -0.08 0.00 0.00 0.00 0.00 51.96 53.10 2k4w s ALA 64 Cb 0.00 -0.36 -0.18 0.00 0.00 0.00 0.00 23.12 22.58 2k4w s ALA 64 CO 0.00 -0.31 3.29 0.28 0.00 0.00 0.00 175.76 179.02 2k4w n VAL 65 N 1.73 3.56 0.00 0.00 0.31 -0.19 -4.86 118.33 118.87 2k4w n VAL 65 Ca -0.17 -1.97 0.00 0.00 -0.01 0.00 0.00 64.34 62.19 2k4w n VAL 65 Cb 0.56 -2.27 0.00 0.00 -0.91 0.00 0.00 33.84 31.22 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 3.01 0.00 0.00 3.52 0.00 -1.26 -3.78 120.51 122.00 2k4w n ALA 66 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.03 2k4w n ALA 66 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 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 0.00 0.00 0.00 -1.26 -2.46 120.51 116.79 2k4w n ALA 67 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2k4w n ALA 67 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.32 0.00 2.13 -0.12 -4.75 120.64 118.23 2k4w n GLU 68 Ca 0.00 0.00 0.19 0.00 0.66 0.00 0.00 57.16 58.01 2k4w n GLU 68 Cb 0.00 -0.61 1.01 0.00 0.27 0.00 0.00 31.44 32.10 2k4w n GLU 68 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k4w h ALA 69 N 0.00 1.14 0.00 4.31 0.00 -1.06 -0.98 119.26 122.67 2k4w h ALA 69 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k4w h ALA 69 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2k4w h ALA 69 CO 0.00 -0.14 0.30 0.00 0.00 0.00 0.00 179.25 179.41 2k4w n ALA 70 N -1.97 0.52 -0.58 0.00 0.00 0.25 -4.58 120.51 114.14 2k4w n ALA 70 Ca -0.02 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2k4w n ALA 70 Cb 0.20 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 19.07 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 -1.26 0.66 4.47 0.00 0.00 -0.37 -0.81 105.19 107.89 2k4w n GLY 71 Ca -0.00 -0.43 0.04 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.58 -1.79 3.77 -0.02 0.00 -1.26 -4.22 105.19 99.09 2k4w n GLY 72 Ca 0.00 -1.29 -0.40 0.00 0.00 0.00 0.00 46.02 44.33 2k4w n GLY 72 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k4w s HIS 73 N -0.62 2.73 -0.24 1.61 3.76 -1.26 -2.19 115.29 119.09 2k4w s HIS 73 Ca 0.00 1.31 -0.29 0.00 -0.15 0.00 0.00 55.06 55.94 2k4w s HIS 73 Cb 0.00 -3.82 -0.03 0.00 1.11 0.00 0.00 32.58 29.83 2k4w s HIS 73 CO 0.00 -2.46 1.90 -1.17 -0.85 0.00 0.00 174.74 172.16 2k4w s LEU 74 N -2.24 3.64 0.00 0.89 2.96 -0.54 -4.59 118.68 118.80 2k4w s LEU 74 Ca 0.55 1.66 0.00 0.00 -0.22 0.00 0.00 54.13 56.12 2k4w s LEU 74 Cb -0.42 -3.52 0.00 0.00 0.50 0.00 0.00 46.19 42.75 2k4w s LEU 74 CO 0.55 -1.64 0.00 -0.67 -1.32 0.00 0.00 176.35 173.28 2k4w n ASP 75 N 10.11 0.00 0.06 3.68 2.03 -1.26 -0.58 116.55 130.59 2k4w n ASP 75 Ca 0.24 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 55.40 2k4w n ASP 75 Cb 0.45 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.80 2k4w n ASP 75 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2k4w h PRO 76 N 0.00 0.46 0.00 -0.67 0.13 -2.00 -3.46 132.00 126.46 2k4w h PRO 76 Ca 0.00 -0.50 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2k4w h PRO 76 Cb 0.00 0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.27 2k4w h PRO 76 CO 0.00 1.15 0.00 0.00 -0.23 0.00 0.00 178.00 178.92 2k4w n GLN 77 N -3.76 0.00 0.25 0.86 10.64 -1.26 -5.00 117.38 119.11 2k4w n GLN 77 Ca -0.08 0.00 0.14 0.00 -1.83 0.00 0.00 57.00 55.23 2k4w n GLN 77 Cb 0.85 0.00 0.80 0.00 -0.86 0.00 0.00 30.24 31.03 2k4w n GLN 77 CO 0.00 0.00 0.00 -0.91 -1.83 0.00 0.00 177.06 174.32 2k4w h ASN 78 N 0.00 0.00 0.00 2.61 2.35 -1.89 -3.43 115.58 115.22 2k4w h ASN 78 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2k4w h ASN 78 Cb 0.66 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.03 2k4w h ASN 78 CO 0.00 0.00 0.00 1.07 -1.65 0.00 0.00 177.43 176.85 2k4w n THR 79 N -4.08 0.00 0.00 2.81 5.66 -1.24 -4.80 114.28 112.62 2k4w n THR 79 Ca -0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.99 2k4w n THR 79 Cb 0.17 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.95 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 0.00 2.99 0.00 1.09 0.00 -0.62 -4.90 105.19 103.74 2k4w n GLY 80 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.00 0.11 -0.87 1.61 2.85 -1.26 -4.88 118.16 113.72 2k4w n LYS 81 Ca 0.00 0.20 0.07 0.00 -1.05 0.00 0.00 58.31 57.53 2k4w n LYS 81 Cb 0.00 -1.50 -0.04 0.00 -0.65 0.00 0.00 35.03 32.84 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 -1.39 -2.36 0.00 5.58 -0.00 -1.26 -3.62 115.22 112.17 2k4w n HIS 82 Ca 0.05 1.30 0.00 0.00 -0.00 0.00 0.00 57.72 59.07 2k4w n HIS 82 Cb 0.14 -2.16 0.00 0.00 -0.00 0.00 0.00 29.99 27.97 2k4w n HIS 82 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.34 175.49 2k4w n GLU 83 N -3.03 0.00 0.00 1.57 -0.00 -1.26 -4.20 120.64 113.72 2k4w n GLU 83 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.12 2k4w n GLU 83 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.81 2k4w n GLU 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2k4w n GLY 84 N 0.00 3.68 0.00 -1.84 0.00 -1.26 -2.86 105.19 102.90 2k4w n GLY 84 Ca 0.00 -0.56 0.06 0.00 0.00 0.00 0.00 46.02 45.52 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 2.66 0.00 1.61 -0.04 -1.26 -4.63 135.00 133.34 2k4w n PRO 85 Ca 0.00 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 2k4w n PRO 85 Cb 0.00 -1.11 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 2k4w n PRO 85 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2k4w n GLU 86 N -1.34 0.06 0.00 0.54 0.28 -1.26 -5.05 120.64 113.87 2k4w n GLU 86 Ca 0.02 -0.01 0.00 0.00 -0.16 0.00 0.00 57.16 57.01 2k4w n GLU 86 Cb 0.21 -0.36 0.00 0.00 1.43 0.00 0.00 31.44 32.72 2k4w n GLU 86 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2k4w n GLY 87 N 0.01 2.00 3.10 -1.84 0.00 -1.26 -4.88 105.19 102.33 2k4w n GLY 87 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2k4w n GLY 87 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2k4w n GLN 88 N 0.00 1.86 0.00 1.61 1.13 -1.26 -4.30 117.38 116.42 2k4w n GLN 88 Ca 0.00 -2.14 0.00 0.00 -1.94 0.00 0.00 57.00 52.92 2k4w n GLN 88 Cb 0.00 -3.11 0.00 0.00 0.11 0.00 0.00 30.24 27.24 2k4w n GLN 88 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2k4w n GLY 89 N 4.63 -0.12 3.12 1.08 0.00 -1.26 -4.47 105.19 108.17 2k4w n GLY 89 Ca 0.50 0.23 -0.15 0.00 0.00 0.00 0.00 46.02 46.60 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 0.16 0.91 0.38 1.61 3.76 -1.26 -1.59 115.29 119.26 2k4w s HIS 90 Ca 0.00 -0.53 0.16 0.00 -0.15 0.00 0.00 55.06 54.55 2k4w s HIS 90 Cb 0.00 -0.52 0.92 0.00 1.11 0.00 0.00 32.58 34.08 2k4w s HIS 90 CO 0.00 -0.03 1.90 1.37 -0.85 0.00 0.00 174.74 177.13 2k4w h LEU 91 N 4.23 0.00 -1.85 0.89 8.10 -1.86 -2.73 115.31 122.10 2k4w h LEU 91 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.61 2k4w h LEU 91 Cb 1.20 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.42 2k4w h LEU 91 CO 0.43 0.28 0.00 0.61 -4.11 0.00 0.00 178.44 175.65 2k4w n GLY 92 N -0.57 1.61 3.65 0.17 0.00 0.25 -4.50 105.19 105.80 2k4w n GLY 92 Ca -0.02 -0.41 -0.40 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.59 6.62 0.26 1.61 1.01 -1.03 -1.54 116.67 123.00 2k4w s ASP 93 Ca 0.24 0.75 0.11 0.00 0.71 0.00 0.00 52.55 54.36 2k4w s ASP 93 Cb 0.17 -2.33 -0.05 0.00 1.01 0.00 0.00 42.92 41.72 2k4w s ASP 93 CO 0.10 -0.28 -0.11 -0.76 0.21 0.00 0.00 175.17 174.33 2k4w s LEU 94 N 2.06 2.88 0.94 1.23 2.01 -0.87 -4.92 118.68 122.00 2k4w s LEU 94 Ca 0.27 -0.81 -0.13 0.00 0.01 0.00 0.00 54.13 53.47 2k4w s LEU 94 Cb -0.16 -1.43 0.16 0.00 0.01 0.00 0.00 46.19 44.77 2k4w s LEU 94 CO 0.10 0.04 1.15 -2.16 1.01 0.00 0.00 176.35 176.48 2k4w s PRO 95 N -3.44 0.89 0.13 1.29 0.04 -1.26 -4.11 135.00 128.53 2k4w s PRO 95 Ca 0.29 0.19 -0.31 0.00 0.04 0.00 0.00 61.00 61.22 2k4w s PRO 95 Cb -0.06 -1.82 -0.07 0.00 0.04 0.00 0.00 34.50 32.59 2k4w s PRO 95 CO 0.17 -2.35 1.28 0.14 0.04 0.00 0.00 177.00 176.28 2k4w s VAL 96 N -3.31 3.56 -0.76 -0.36 -7.23 -1.26 -4.14 120.40 106.90 2k4w s VAL 96 Ca 0.65 1.18 -0.25 0.00 -1.81 0.00 0.00 61.98 61.75 2k4w s VAL 96 Cb -0.13 -3.75 -0.04 0.00 0.56 0.00 0.00 36.38 33.01 2k4w s VAL 96 CO 0.53 0.12 1.97 -0.22 -0.31 0.00 0.00 175.10 177.20 2k4w s LEU 97 N 0.63 3.21 0.28 1.32 1.98 0.12 -4.84 118.68 121.39 2k4w s LEU 97 Ca 0.59 -0.13 -0.29 0.00 -2.89 0.00 0.00 54.13 51.41 2k4w s LEU 97 Cb -0.34 -2.54 -0.10 0.00 0.66 0.00 0.00 46.19 43.87 2k4w s LEU 97 CO 0.32 -2.68 1.10 -0.69 -1.89 0.00 0.00 176.35 172.52 2k4w s VAL 98 N 10.10 3.48 -0.08 1.68 1.01 -1.26 -1.14 120.40 134.19 2k4w s VAL 98 Ca 0.72 1.48 0.04 0.00 0.00 0.00 0.00 61.98 64.22 2k4w s VAL 98 Cb -0.10 -3.94 -0.00 0.00 0.00 0.00 0.00 36.38 32.34 2k4w s VAL 98 CO 0.10 0.35 -0.21 -0.69 0.00 0.00 0.00 175.10 174.64 2k4w s VAL 99 N -1.17 1.83 0.26 2.92 1.01 -0.42 -4.14 120.40 120.68 2k4w s VAL 99 Ca 0.45 -0.90 -0.30 0.00 0.00 0.00 0.00 61.98 61.23 2k4w s VAL 99 Cb -0.32 -1.58 -0.09 0.00 0.00 0.00 0.00 36.38 34.39 2k4w s VAL 99 CO 0.41 0.51 1.02 0.21 0.00 0.00 0.00 175.10 177.25 2k4w s ASN 100 N 0.25 7.45 -0.99 3.32 2.47 -0.52 -4.12 114.94 122.80 2k4w s ASN 100 Ca -0.13 2.12 -0.07 0.00 0.42 0.00 0.00 52.86 55.20 2k4w s ASN 100 Cb -0.16 -2.62 -0.06 0.00 -1.45 0.00 0.00 41.25 36.96 2k4w s ASN 100 CO 0.06 -0.00 2.19 -0.46 -3.72 0.00 0.00 177.10 175.17 2k4w n ASN 101 N 1.32 5.26 0.00 -4.21 6.94 -1.26 -2.58 115.26 120.73 2k4w n ASN 101 Ca -0.02 -2.37 0.00 0.00 -0.02 0.00 0.00 54.58 52.18 2k4w n ASN 101 Cb 0.46 -1.15 0.00 0.00 -2.36 0.00 0.00 39.78 36.73 2k4w n ASN 101 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 2k4w n ASP 102 N 4.27 0.00 0.00 0.53 2.03 -1.26 -5.03 116.55 117.09 2k4w n ASP 102 Ca 0.48 -1.00 0.00 0.00 0.52 0.00 0.00 54.79 54.79 2k4w n ASP 102 Cb 0.15 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.55 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 0.00 0.81 2.98 0.27 0.00 -1.06 -5.10 105.19 103.09 2k4w n GLY 103 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 0.83 -0.11 -0.61 1.01 -1.22 -2.73 121.20 116.38 2k4w s ILE 104 Ca 0.00 -0.33 -0.26 0.00 0.00 0.00 0.00 60.65 60.06 2k4w s ILE 104 Cb 0.00 -0.77 -0.02 0.00 0.01 0.00 0.00 42.46 41.67 2k4w s ILE 104 CO 0.00 0.28 0.83 0.00 0.00 0.00 0.00 174.94 176.05 2k4w s ALA 105 N 0.54 3.40 0.00 9.38 0.00 -0.07 -1.43 121.76 133.58 2k4w s ALA 105 Ca -0.09 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.04 2k4w s ALA 105 Cb -0.13 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.80 2k4w s ALA 105 CO 0.01 -0.43 0.00 -2.37 0.00 0.00 0.00 175.76 172.97 2k4w n THR 106 N 4.33 0.00 -3.02 0.00 5.66 -1.26 -2.70 114.28 117.29 2k4w n THR 106 Ca 0.04 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.63 2k4w n THR 106 Cb 0.50 1.77 -0.05 0.00 -1.55 0.00 0.00 70.33 71.00 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 4.24 0.48 1.09 0.41 -1.26 -4.68 118.70 118.99 2k4w s GLU 107 Ca 0.00 0.77 -0.21 0.00 -0.41 0.00 0.00 54.97 55.13 2k4w s GLU 107 Cb 0.00 -3.58 -0.08 0.00 -1.78 0.00 0.00 34.13 28.69 2k4w s GLU 107 CO 0.00 -0.29 1.06 -1.25 -0.49 0.00 0.00 175.26 174.29 2k4w s PRO 108 N 2.05 3.76 0.07 0.39 0.04 -1.26 -4.34 135.00 135.71 2k4w s PRO 108 Ca 0.32 1.43 0.00 0.00 0.04 0.00 0.00 61.00 62.80 2k4w s PRO 108 Cb -0.16 -2.14 -0.04 0.00 0.04 0.00 0.00 34.50 32.20 2k4w s PRO 108 CO 0.11 -0.47 -0.05 0.14 0.04 0.00 0.00 177.00 176.77 2k4w s VAL 109 N -1.89 0.43 0.00 -0.36 -7.23 -0.55 -5.01 120.40 105.79 2k4w s VAL 109 Ca 0.67 -1.70 0.04 0.00 -1.81 0.00 0.00 61.98 59.18 2k4w s VAL 109 Cb -0.19 -1.37 -0.03 0.00 0.56 0.00 0.00 36.38 35.35 2k4w s VAL 109 CO 0.22 -0.84 -0.11 -0.89 -0.31 0.00 0.00 175.10 173.17 2k4w s THR 110 N -3.31 3.32 -0.93 5.32 2.01 -1.26 -0.50 115.64 120.28 2k4w s THR 110 Ca 0.05 -0.87 -0.09 0.00 0.31 0.00 0.00 61.69 61.10 2k4w s THR 110 Cb 0.03 -2.41 0.24 0.00 0.01 0.00 0.00 72.50 70.37 2k4w s THR 110 CO -0.06 0.42 0.87 0.00 -0.69 0.00 0.00 174.62 175.16 2k4w s ALA 111 N -0.93 4.32 -2.00 7.40 0.00 0.20 -4.82 121.76 125.94 2k4w s ALA 111 Ca 0.15 -3.62 0.20 0.00 0.00 0.00 0.00 51.96 48.69 2k4w s ALA 111 Cb -0.11 -3.32 1.20 0.00 0.00 0.00 0.00 23.12 20.90 2k4w s ALA 111 CO 0.06 -2.21 1.63 -0.35 0.00 0.00 0.00 175.76 174.89 2k4w n PRO 112 N 3.10 0.74 0.16 0.00 -0.04 -1.23 -2.62 135.00 135.12 2k4w n PRO 112 Ca 0.19 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.69 2k4w n PRO 112 Cb 0.41 -1.42 0.16 0.00 -0.04 0.00 0.00 33.50 32.61 2k4w n PRO 112 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 2k4w h ARG 113 N 0.00 0.00 -6.50 0.54 2.43 -1.86 -3.45 114.38 105.54 2k4w h ARG 113 Ca 0.00 0.00 -0.51 0.00 -0.81 0.00 0.00 59.98 58.66 2k4w h ARG 113 Cb 0.00 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.56 2k4w h ARG 113 CO 0.00 0.43 -0.14 -0.51 -1.51 0.00 0.00 179.97 178.25 2k4w s LEU 114 N -6.65 3.00 0.00 3.80 1.02 -1.21 -4.95 118.68 113.70 2k4w s LEU 114 Ca 0.03 -0.95 0.00 0.00 0.02 0.00 0.00 54.13 53.23 2k4w s LEU 114 Cb 0.09 -1.51 0.00 0.00 0.02 0.00 0.00 46.19 44.79 2k4w s LEU 114 CO 0.72 -1.31 0.00 1.17 0.02 0.00 0.00 176.35 176.94 2k4w n LYS 115 N -2.16 3.33 -3.83 1.70 3.00 -1.26 -4.15 118.16 114.80 2k4w n LYS 115 Ca 0.12 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.34 2k4w n LYS 115 Cb 0.62 -0.54 -0.04 0.00 0.00 0.00 0.00 35.03 35.07 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 -0.69 -0.20 -0.07 3.14 0.15 -1.26 -4.41 113.70 110.36 2k4w s SER 116 Ca 0.00 -0.62 0.14 0.00 0.70 0.00 0.00 55.95 56.17 2k4w s SER 116 Cb 0.00 0.59 -0.23 0.00 -1.71 0.00 0.00 66.02 64.67 2k4w s SER 116 CO 0.00 -1.10 0.54 -0.11 1.20 0.00 0.00 173.24 173.77 2k4w n LEU 117 N -0.36 0.65 0.25 3.45 0.00 -1.26 -4.22 117.00 115.51 2k4w n LEU 117 Ca -0.07 0.31 0.08 0.00 0.00 0.00 0.00 56.01 56.32 2k4w n LEU 117 Cb 0.62 0.24 0.61 0.00 0.00 0.00 0.00 43.42 44.88 2k4w n LEU 117 CO 0.18 0.38 0.98 0.44 0.00 0.00 0.00 177.39 179.38 2k4w h ASP 118 N 0.00 0.00 0.84 1.96 5.19 -2.00 -0.30 116.42 122.11 2k4w h ASP 118 Ca -0.33 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.08 2k4w h ASP 118 Cb 2.01 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.52 2k4w h ASP 118 CO 0.06 0.11 0.00 1.05 -3.12 0.00 0.00 179.24 177.34 2k4w h GLU 119 N 0.00 0.00 -0.42 3.56 4.11 -2.01 -2.99 114.58 116.83 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 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2k4w h GLU 119 CO 0.01 0.00 0.00 1.33 0.07 0.00 0.00 179.01 180.42 2k4w n VAL 120 N -2.69 1.56 0.33 -1.06 0.24 -0.14 -4.73 118.33 111.84 2k4w n VAL 120 Ca 0.01 -1.29 0.21 0.00 -2.04 0.00 0.00 64.34 61.23 2k4w n VAL 120 Cb 0.26 0.20 1.13 0.00 -1.47 0.00 0.00 33.84 33.96 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 2.60 0.00 -3.49 7.34 2.10 -1.40 -3.20 116.57 120.52 2k4w h LYS 121 Ca 0.00 0.00 -0.54 0.00 -2.00 0.00 0.00 60.65 58.11 2k4w h LYS 121 Cb 1.12 0.00 -0.40 0.00 -0.90 0.00 0.00 32.23 32.05 2k4w h LYS 121 CO 0.12 0.00 -0.76 0.34 -2.00 0.00 0.00 179.45 177.15 2k4w s ASP 122 N -5.37 3.39 0.19 7.07 -1.08 -1.26 -4.08 116.67 115.53 2k4w s ASP 122 Ca -0.05 -1.16 -0.21 0.00 -0.52 0.00 0.00 52.55 50.61 2k4w s ASP 122 Cb 0.13 -0.68 0.05 0.00 -1.46 0.00 0.00 42.92 40.97 2k4w s ASP 122 CO 0.44 -0.36 0.60 -0.54 0.52 0.00 0.00 175.17 175.84 2k4w s LYS 123 N 1.79 1.41 0.22 4.34 -0.14 -1.21 -4.50 119.74 121.65 2k4w s LYS 123 Ca 0.04 -0.68 0.05 0.00 -1.36 0.00 0.00 55.97 54.01 2k4w s LYS 123 Cb -0.17 0.58 -0.03 0.00 -1.68 0.00 0.00 37.83 36.52 2k4w s LYS 123 CO -0.17 -0.62 0.29 0.00 -0.76 0.00 0.00 175.35 174.09 2k4w s ALA 124 N -3.82 3.84 -0.14 5.17 0.00 -0.59 -3.26 121.76 122.97 2k4w s ALA 124 Ca 0.05 -1.22 -0.01 0.00 0.00 0.00 0.00 51.96 50.78 2k4w s ALA 124 Cb -0.02 -1.63 0.04 0.00 0.00 0.00 0.00 23.12 21.51 2k4w s ALA 124 CO -0.06 0.33 -0.04 -0.51 0.00 0.00 0.00 175.76 175.48 2k4w s LEU 125 N -3.71 1.28 -0.18 0.00 1.43 0.42 -0.77 118.68 117.16 2k4w s LEU 125 Ca 0.34 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.96 2k4w s LEU 125 Cb -0.09 -0.79 0.01 0.00 0.03 0.00 0.00 46.19 45.35 2k4w s LEU 125 CO 0.28 -0.18 -0.16 -0.04 0.23 0.00 0.00 176.35 176.48 2k4w s MET 126 N 1.73 3.12 -0.33 1.70 -1.94 -0.40 -1.08 119.30 122.10 2k4w s MET 126 Ca 0.03 -0.78 -0.22 0.00 -1.71 0.00 0.00 55.69 53.00 2k4w s MET 126 Cb -0.14 -2.64 0.00 0.00 2.01 0.00 0.00 34.83 34.06 2k4w s MET 126 CO -0.07 -0.13 0.74 0.42 -0.01 0.00 0.00 175.02 175.97 2k4w s ILE 127 N 1.14 4.81 0.11 2.53 1.01 0.11 -1.90 121.20 129.01 2k4w s ILE 127 Ca 0.01 0.96 -0.01 0.00 0.00 0.00 0.00 60.65 61.61 2k4w s ILE 127 Cb -0.14 -4.14 -0.04 0.00 0.01 0.00 0.00 42.46 38.15 2k4w s ILE 127 CO -0.07 -0.30 0.28 -1.00 0.00 0.00 0.00 174.94 173.85 2k4w s HIS 128 N 2.92 3.50 0.46 3.97 3.76 -0.12 -0.28 115.29 129.51 2k4w s HIS 128 Ca 0.30 0.32 0.16 0.00 -0.15 0.00 0.00 55.06 55.68 2k4w s HIS 128 Cb -0.14 -1.82 1.09 0.00 1.11 0.00 0.00 32.58 32.82 2k4w s HIS 128 CO 0.14 0.52 2.02 -0.39 -0.85 0.00 0.00 174.74 176.19 2k4w h VAL 129 N 1.96 1.06 -4.14 -0.90 -1.51 -1.11 -3.22 116.25 108.39 2k4w h VAL 129 Ca -0.46 -0.52 -0.28 0.00 -1.23 0.00 0.00 66.70 64.21 2k4w h VAL 129 Cb 1.17 1.29 -0.15 0.00 -2.13 0.00 0.00 31.29 31.47 2k4w h VAL 129 CO 0.73 0.15 -0.63 -0.83 -1.23 0.00 0.00 177.57 175.76 2k4w s GLY 130 N -4.17 1.43 0.23 5.19 0.00 -1.26 -4.82 107.32 103.92 2k4w s GLY 130 Ca -0.04 -1.70 -0.31 0.00 0.00 0.00 0.00 44.72 42.67 2k4w s GLY 130 CO 0.68 -1.48 1.12 0.61 0.00 0.00 0.00 173.10 174.02 2k4w n GLY 131 N -0.30 -0.03 3.50 0.20 0.00 -0.45 -0.81 105.19 107.29 2k4w n GLY 131 Ca -0.01 0.44 -0.40 0.00 0.00 0.00 0.00 46.02 46.05 2k4w n GLY 131 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k4w s ASP 132 N -0.22 5.95 -0.13 1.61 1.01 -1.26 -4.56 116.67 119.07 2k4w s ASP 132 Ca 0.67 -0.50 0.05 0.00 0.71 0.00 0.00 52.55 53.48 2k4w s ASP 132 Cb -0.77 -2.11 0.16 0.00 1.01 0.00 0.00 42.92 41.21 2k4w s ASP 132 CO 0.55 -0.25 0.95 -3.20 0.21 0.00 0.00 175.17 173.44 2k4w n ASN 133 N 5.08 -0.81 -3.60 0.27 5.15 -1.19 -4.30 115.26 115.86 2k4w n ASN 133 Ca -0.13 -1.57 -0.25 0.00 -0.60 0.00 0.00 54.58 52.03 2k4w n ASN 133 Cb 0.49 0.34 -0.17 0.00 -0.53 0.00 0.00 39.78 39.91 2k4w n ASN 133 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 2k4w s MET 134 N 0.05 0.07 0.31 1.20 -1.94 -1.14 -4.85 119.30 113.00 2k4w s MET 134 Ca 0.03 -0.03 -0.03 0.00 -1.71 0.00 0.00 55.69 53.96 2k4w s MET 134 Cb 0.17 -1.71 -0.04 0.00 2.01 0.00 0.00 34.83 35.26 2k4w s MET 134 CO -0.05 -0.65 0.55 -1.12 -0.01 0.00 0.00 175.02 173.74 2k4w s SER 135 N 2.16 6.38 -0.96 3.03 0.01 -1.26 -4.31 113.70 118.74 2k4w s SER 135 Ca 0.03 0.61 -0.04 0.00 1.31 0.00 0.00 55.95 57.85 2k4w s SER 135 Cb -0.16 -2.10 0.04 0.00 0.21 0.00 0.00 66.02 64.01 2k4w s SER 135 CO -0.09 -0.24 0.21 0.47 0.41 0.00 0.00 173.24 174.00 2k4w n ASP 136 N -1.28 -3.17 -4.47 2.44 8.00 -1.24 -4.96 116.55 111.87 2k4w n ASP 136 Ca -0.03 -0.02 -0.30 0.00 0.71 0.00 0.00 54.79 55.15 2k4w n ASP 136 Cb 0.55 -2.69 -0.12 0.00 -0.02 0.00 0.00 41.12 38.83 2k4w n ASP 136 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2k4w s GLN 137 N -5.47 2.02 0.00 -1.24 -0.21 -1.26 -5.03 119.66 108.46 2k4w s GLN 137 Ca 0.18 -1.02 0.00 0.00 0.02 0.00 0.00 55.36 54.54 2k4w s GLN 137 Cb -0.10 -2.19 0.00 0.00 1.00 0.00 0.00 33.01 31.73 2k4w s GLN 137 CO 0.22 0.53 0.43 -0.35 -2.12 0.00 0.00 175.29 174.00 2k4w n PRO 138 N 1.33 0.71 -3.44 2.91 -0.04 -1.26 -4.65 135.00 130.55 2k4w n PRO 138 Ca -0.16 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.89 2k4w n PRO 138 Cb 0.52 -1.27 -0.10 0.00 -0.04 0.00 0.00 33.50 32.61 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 -1.22 3.35 0.70 0.54 1.02 -1.26 -5.04 119.74 117.83 2k4w s LYS 139 Ca 0.00 -0.66 -0.15 0.00 0.02 0.00 0.00 55.97 55.17 2k4w s LYS 139 Cb 0.00 -3.87 0.02 0.00 -0.52 0.00 0.00 37.83 33.47 2k4w s LYS 139 CO 0.00 -0.60 1.20 -1.25 -0.92 0.00 0.00 175.35 173.78 2k4w s PRO 140 N 1.88 2.32 0.00 -1.68 0.04 -1.26 -1.25 135.00 135.05 2k4w s PRO 140 Ca 0.09 1.73 0.00 0.00 0.04 0.00 0.00 61.00 62.86 2k4w s PRO 140 Cb -0.17 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2k4w s PRO 140 CO 0.11 -1.69 0.00 -0.11 0.04 0.00 0.00 177.00 175.35 2k4w n LEU 141 N -2.54 0.32 0.00 -3.56 7.94 -1.26 -2.48 117.00 115.43 2k4w n LEU 141 Ca 0.13 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.03 2k4w n LEU 141 Cb 0.50 -0.51 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2k4w n LEU 141 CO 0.47 -0.16 0.00 0.61 -1.11 0.00 0.00 177.39 177.20 2k4w n GLY 142 N -2.00 1.19 3.29 -3.96 0.00 -1.20 -4.68 105.19 97.83 2k4w n GLY 142 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.13 1.47 0.29 -0.02 0.00 -0.38 -3.92 105.19 102.50 2k4w n GLY 143 Ca 0.00 -0.17 0.19 0.00 0.00 0.00 0.00 46.02 46.04 2k4w n GLY 143 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2k4w h GLY 144 N 0.00 0.00 0.00 -0.02 0.00 -1.81 -3.45 103.07 97.79 2k4w h GLY 144 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2k4w h GLY 144 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2k4w n GLY 145 N -0.54 1.76 3.77 4.60 0.00 -1.03 -3.67 105.19 110.08 2k4w n GLY 145 Ca -0.01 0.52 -0.34 0.00 0.00 0.00 0.00 46.02 46.18 2k4w n GLY 145 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k4w s THR 146 N 0.00 3.12 -0.18 2.61 2.01 -1.26 -4.91 115.64 117.03 2k4w s THR 146 Ca 0.00 0.63 -0.09 0.00 0.31 0.00 0.00 61.69 62.54 2k4w s THR 146 Cb 0.00 -3.20 -0.05 0.00 0.01 0.00 0.00 72.50 69.26 2k4w s THR 146 CO 0.00 -0.21 0.13 -0.13 -0.69 0.00 0.00 174.62 173.72 2k4w s ARG 147 N -3.57 4.03 -0.06 4.92 3.00 -1.26 -0.93 118.95 125.08 2k4w s ARG 147 Ca 0.71 -0.20 -0.17 0.00 0.00 0.00 0.00 55.73 56.08 2k4w s ARG 147 Cb -0.23 -3.37 -0.30 0.00 0.00 0.00 0.00 34.95 31.04 2k4w s ARG 147 CO 0.33 0.40 0.75 -0.92 0.00 0.00 0.00 175.30 175.86 2k4w h TYR 148 N 6.31 0.61 -3.10 -0.53 3.20 -0.88 -3.41 116.97 119.17 2k4w h TYR 148 Ca -0.44 -0.44 -0.11 0.00 3.14 0.00 0.00 58.73 60.88 2k4w h TYR 148 Cb 1.17 -0.02 -0.19 0.00 1.54 0.00 0.00 36.73 39.22 2k4w h TYR 148 CO 0.62 1.50 -0.25 0.00 -1.64 0.00 0.00 178.16 178.39 2k4w s ALA 149 N -2.50 -0.78 0.07 1.82 0.00 -0.86 -2.17 121.76 117.35 2k4w s ALA 149 Ca -0.16 0.24 0.07 0.00 0.00 0.00 0.00 51.96 52.11 2k4w s ALA 149 Cb 0.03 0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.29 2k4w s ALA 149 CO 0.83 -0.32 -0.18 0.00 0.00 0.00 0.00 175.76 176.09 2k4w s GLY 151 N -1.60 0.11 -0.01 0.00 0.00 -0.24 -0.55 107.32 105.03 2k4w s GLY 151 Ca 0.04 -0.45 0.02 0.00 0.00 0.00 0.00 44.72 44.32 2k4w s GLY 151 CO 0.03 -0.62 -0.07 0.14 0.00 0.00 0.00 173.10 172.58 2k4w s VAL 152 N -2.80 0.58 0.37 1.40 1.01 -1.26 -0.43 120.40 119.27 2k4w s VAL 152 Ca -0.03 -0.29 -0.19 0.00 0.00 0.00 0.00 61.98 61.47 2k4w s VAL 152 Cb -0.00 -0.51 -0.10 0.00 0.00 0.00 0.00 36.38 35.77 2k4w s VAL 152 CO -0.05 0.18 0.86 -0.63 0.00 0.00 0.00 175.10 175.45 2k4w s ILE 153 N 0.02 4.49 -2.00 2.22 1.09 -1.20 -4.75 121.20 121.06 2k4w s ILE 153 Ca 0.00 1.31 0.16 0.00 -1.10 0.00 0.00 60.65 61.02 2k4w s ILE 153 Cb -0.05 -3.65 0.45 0.00 -1.06 0.00 0.00 42.46 38.15 2k4w s ILE 153 CO -0.00 -0.20 1.36 0.29 -0.10 0.00 0.00 174.94 176.29