#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 -0.54 -0.22 0.00 0.01 -1.26 -0.70 113.70 110.98 2k4w s SER 2 Ca 0.00 0.99 -0.12 0.00 1.31 0.00 0.00 55.95 58.12 2k4w s SER 2 Cb 0.00 0.95 0.07 0.00 0.21 0.00 0.00 66.02 67.25 2k4w s SER 2 CO 0.00 -0.18 0.55 -0.70 0.41 0.00 0.00 173.24 173.32 2k4w s GLU 3 N 0.72 0.55 -0.81 12.44 2.56 -0.00 -5.00 118.70 129.16 2k4w s GLU 3 Ca -0.04 1.01 -0.21 0.00 0.00 0.00 0.00 54.97 55.73 2k4w s GLU 3 Cb -0.05 0.06 0.10 0.00 2.00 0.00 0.00 34.13 36.24 2k4w s GLU 3 CO -0.05 -0.16 1.07 0.21 -0.56 0.00 0.00 175.26 175.77 2k4w s LYS 4 N 1.53 3.36 -0.19 4.30 2.20 -1.26 -0.51 119.74 129.18 2k4w s LYS 4 Ca -0.10 -1.28 -0.20 0.00 -0.36 0.00 0.00 55.97 54.03 2k4w s LYS 4 Cb -0.07 -4.62 -0.03 0.00 -1.51 0.00 0.00 37.83 31.61 2k4w s LYS 4 CO -0.16 -1.82 0.61 0.08 -0.36 0.00 0.00 175.35 173.70 2k4w s VAL 5 N 3.50 5.04 -0.44 4.02 1.01 -0.14 -4.86 120.40 128.52 2k4w s VAL 5 Ca 0.28 1.15 -0.28 0.00 0.00 0.00 0.00 61.98 63.14 2k4w s VAL 5 Cb -0.10 -3.93 -0.00 0.00 0.00 0.00 0.00 36.38 32.34 2k4w s VAL 5 CO -0.00 0.13 1.61 -0.83 0.00 0.00 0.00 175.10 176.01 2k4w s GLY 6 N 1.17 0.82 -0.70 4.51 0.00 -1.26 -0.59 107.32 111.27 2k4w s GLY 6 Ca 0.28 -0.19 -0.26 0.00 0.00 0.00 0.00 44.72 44.54 2k4w s GLY 6 CO 0.10 3.04 1.20 1.06 0.00 0.00 0.00 173.10 178.51 2k4w s MET 7 N 5.61 3.22 0.18 2.90 -1.94 -0.85 -4.37 119.30 124.06 2k4w s MET 7 Ca 0.67 -0.28 -0.29 0.00 -1.71 0.00 0.00 55.69 54.08 2k4w s MET 7 Cb -0.16 -4.16 -0.08 0.00 2.01 0.00 0.00 34.83 32.45 2k4w s MET 7 CO 0.30 -2.01 0.92 -0.80 -0.01 0.00 0.00 175.02 173.42 2k4w s ASN 8 N 3.59 7.55 0.32 3.03 -0.87 -0.38 -4.11 114.94 124.07 2k4w s ASN 8 Ca 0.34 1.84 -0.29 0.00 -1.57 0.00 0.00 52.86 53.18 2k4w s ASN 8 Cb -0.10 -2.58 -0.10 0.00 -0.02 0.00 0.00 41.25 38.45 2k4w s ASN 8 CO 0.16 0.08 1.38 -0.76 -2.57 0.00 0.00 177.10 175.38 2k4w s LEU 9 N -0.70 4.39 0.14 0.60 1.43 0.51 -1.14 118.68 123.92 2k4w s LEU 9 Ca 0.42 2.77 0.01 0.00 -1.03 0.00 0.00 54.13 56.30 2k4w s LEU 9 Cb -0.24 -3.65 -0.04 0.00 0.03 0.00 0.00 46.19 42.28 2k4w s LEU 9 CO 0.30 -0.65 -0.00 0.68 0.23 0.00 0.00 176.35 176.91 2k4w s VAL 10 N -0.88 0.54 0.00 -1.59 -7.23 0.06 -0.54 120.40 110.76 2k4w s VAL 10 Ca 0.52 -1.95 0.00 0.00 -1.81 0.00 0.00 61.98 58.74 2k4w s VAL 10 Cb -0.42 -1.99 0.00 0.00 0.56 0.00 0.00 36.38 34.54 2k4w s VAL 10 CO 0.53 -0.58 0.00 1.07 -0.31 0.00 0.00 175.10 175.81 2k4w n THR 11 N -0.15 0.00 0.00 5.32 5.66 -1.16 -4.48 114.28 119.47 2k4w n THR 11 Ca -0.08 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.92 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 -3.00 0.96 -0.18 1.79 0.00 -1.26 -1.13 120.51 117.69 2k4w n ALA 12 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2k4w n ALA 12 Cb 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.60 2k4w n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k4w n GLN 13 N 0.20 2.13 0.00 0.00 0.00 -1.26 -4.76 117.38 113.69 2k4w n GLN 13 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 57.00 56.89 2k4w n GLN 13 Cb 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 30.24 29.76 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 0.34 1.18 3.30 2.61 0.00 -0.28 -4.49 105.19 107.84 2k4w n GLY 14 Ca 0.00 -0.75 -0.61 0.00 0.00 0.00 0.00 46.02 44.67 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 0.00 0.00 1.61 0.31 -0.62 -2.97 118.33 116.66 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 -0.48 0.00 0.00 -0.91 0.00 0.00 33.84 32.45 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 5.95 -0.33 3.45 2.92 0.00 0.30 -4.99 105.19 112.49 2k4w n GLY 16 Ca 0.44 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.30 1.09 -0.14 1.61 -2.07 -1.13 -4.96 119.66 113.76 2k4w s GLN 17 Ca 0.00 -0.07 -0.12 0.00 -1.82 0.00 0.00 55.36 53.35 2k4w s GLN 17 Cb 0.00 0.51 -0.05 0.00 -1.09 0.00 0.00 33.01 32.38 2k4w s GLN 17 CO 0.00 -0.39 0.25 0.45 -1.32 0.00 0.00 175.29 174.28 2k4w s SER 18 N -1.79 6.43 0.00 12.60 0.15 -1.26 -0.36 113.70 129.47 2k4w s SER 18 Ca -0.07 0.50 0.00 0.00 0.70 0.00 0.00 55.95 57.09 2k4w s SER 18 Cb -0.01 -2.15 0.00 0.00 -1.71 0.00 0.00 66.02 62.15 2k4w s SER 18 CO 0.01 0.19 0.00 -0.38 1.20 0.00 0.00 173.24 174.26 2k4w n ILE 19 N 3.08 0.00 -3.55 6.45 2.08 -1.26 -4.97 119.36 121.19 2k4w n ILE 19 Ca -0.14 -0.09 -0.07 0.00 0.56 0.00 0.00 62.75 63.00 2k4w n ILE 19 Cb 0.52 0.56 -0.03 0.00 -0.75 0.00 0.00 39.64 39.95 2k4w n ILE 19 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 2k4w s GLY 20 N -1.60 -0.35 0.62 7.39 0.00 -1.26 -4.41 107.32 107.72 2k4w s GLY 20 Ca 0.00 1.48 0.04 0.00 0.00 0.00 0.00 44.72 46.23 2k4w s GLY 20 CO 0.00 0.57 0.86 -0.51 0.00 0.00 0.00 173.10 174.02 2k4w s THR 21 N -2.41 2.28 -0.04 0.90 -4.23 -1.26 -2.01 115.64 108.87 2k4w s THR 21 Ca 0.05 -0.78 0.01 0.00 -1.18 0.00 0.00 61.69 59.79 2k4w s THR 21 Cb -0.01 -2.50 0.02 0.00 1.34 0.00 0.00 72.50 71.35 2k4w s THR 21 CO -0.05 0.00 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.30 2k4w s VAL 22 N -2.87 0.42 -0.28 2.29 1.01 0.24 -3.35 120.40 117.86 2k4w s VAL 22 Ca 0.63 -0.06 -0.13 0.00 0.00 0.00 0.00 61.98 62.41 2k4w s VAL 22 Cb -0.06 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.81 2k4w s VAL 22 CO 0.41 0.20 0.30 0.54 0.00 0.00 0.00 175.10 176.55 2k4w s VAL 23 N 0.91 5.23 -0.05 2.92 0.11 0.32 -0.97 120.40 128.87 2k4w s VAL 23 Ca -0.11 0.33 -0.17 0.00 -2.93 0.00 0.00 61.98 59.10 2k4w s VAL 23 Cb -0.14 -3.65 -0.05 0.00 -1.53 0.00 0.00 36.38 31.00 2k4w s VAL 23 CO -0.00 0.15 0.45 -0.63 -3.33 0.00 0.00 175.10 171.74 2k4w s ILE 24 N 1.94 5.07 -0.28 7.04 1.01 0.34 -0.43 121.20 135.88 2k4w s ILE 24 Ca 0.11 0.93 -0.04 0.00 0.00 0.00 0.00 60.65 61.65 2k4w s ILE 24 Cb -0.16 -3.78 0.10 0.00 0.01 0.00 0.00 42.46 38.63 2k4w s ILE 24 CO 0.11 0.46 0.12 -0.62 0.00 0.00 0.00 174.94 175.01 2k4w s ASP 25 N -0.31 3.49 0.09 3.58 2.15 0.13 -0.82 116.67 124.98 2k4w s ASP 25 Ca 0.25 -1.27 -0.30 0.00 0.43 0.00 0.00 52.55 51.66 2k4w s ASP 25 Cb -0.16 -0.39 -0.06 0.00 -0.30 0.00 0.00 42.92 42.01 2k4w s ASP 25 CO 0.12 -0.43 1.05 -0.70 -0.17 0.00 0.00 175.17 175.04 2k4w s GLU 26 N 2.06 4.59 0.00 4.34 2.12 0.12 -1.27 118.70 130.66 2k4w s GLU 26 Ca 0.08 1.58 0.00 0.00 0.36 0.00 0.00 54.97 56.99 2k4w s GLU 26 Cb -0.16 -3.37 0.00 0.00 0.26 0.00 0.00 34.13 30.86 2k4w s GLU 26 CO -0.34 0.02 0.00 -2.37 -0.54 0.00 0.00 175.26 172.03 2k4w n THR 27 N 3.17 0.00 0.03 -1.70 5.66 0.10 -3.11 114.28 118.43 2k4w n THR 27 Ca 0.05 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.16 2k4w n THR 27 Cb 0.48 0.00 0.57 0.00 -1.55 0.00 0.00 70.33 69.83 2k4w n THR 27 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 175.07 173.07 2k4w h GLU 28 N 0.00 0.22 -0.68 1.09 4.11 -1.95 -0.42 114.58 116.95 2k4w h GLU 28 Ca 0.00 -0.01 -0.14 0.00 0.07 0.00 0.00 59.36 59.27 2k4w h GLU 28 Cb 0.00 -0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.11 2k4w h GLU 28 CO 0.00 0.15 0.18 0.41 0.07 0.00 0.00 179.01 179.82 2k4w n GLY 29 N -1.55 3.46 6.25 1.06 0.00 -1.26 -5.08 105.19 108.08 2k4w n GLY 29 Ca 0.06 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 0.09 0.03 3.57 -0.02 0.00 -0.17 -2.39 105.19 106.30 2k4w n GLY 30 Ca 0.37 -1.10 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 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 3.41 -0.43 0.99 1.43 -1.00 -0.72 118.68 122.36 2k4w s LEU 31 Ca 0.00 -0.08 -0.27 0.00 -1.03 0.00 0.00 54.13 52.76 2k4w s LEU 31 Cb 0.00 -2.98 0.02 0.00 0.03 0.00 0.00 46.19 43.26 2k4w s LEU 31 CO 0.00 -1.57 0.99 -0.75 0.23 0.00 0.00 176.35 175.25 2k4w s LYS 32 N 5.12 3.71 -0.22 1.70 2.20 -0.39 -0.88 119.74 130.98 2k4w s LYS 32 Ca 0.40 0.45 -0.13 0.00 -0.36 0.00 0.00 55.97 56.33 2k4w s LYS 32 Cb -0.08 -3.87 -0.05 0.00 -1.51 0.00 0.00 37.83 32.32 2k4w s LYS 32 CO 0.22 -1.16 0.26 0.12 -0.36 0.00 0.00 175.35 174.44 2k4w s PHE 33 N 3.83 3.35 -0.22 4.03 5.36 0.58 -0.69 117.98 134.23 2k4w s PHE 33 Ca 0.41 0.40 -0.00 0.00 -0.96 0.00 0.00 56.93 56.78 2k4w s PHE 33 Cb -0.10 -2.37 0.06 0.00 -0.34 0.00 0.00 43.02 40.26 2k4w s PHE 33 CO 0.25 0.05 -0.04 0.99 -1.46 0.00 0.00 175.22 175.01 2k4w s THR 34 N 1.11 1.28 0.36 0.12 2.01 0.43 -1.47 115.64 119.48 2k4w s THR 34 Ca 0.13 -1.01 -0.03 0.00 0.31 0.00 0.00 61.69 61.09 2k4w s THR 34 Cb -0.14 -1.58 -0.04 0.00 0.01 0.00 0.00 72.50 70.76 2k4w s THR 34 CO 0.06 -0.08 0.61 -2.16 -0.69 0.00 0.00 174.62 172.35 2k4w s PRO 35 N 1.52 3.55 -0.19 4.92 0.04 -1.26 -0.53 135.00 143.05 2k4w s PRO 35 Ca -0.04 -0.08 0.18 0.00 0.04 0.00 0.00 61.00 61.10 2k4w s PRO 35 Cb -0.18 -2.58 0.39 0.00 0.04 0.00 0.00 34.50 32.17 2k4w s PRO 35 CO -0.07 0.08 1.22 -2.39 0.04 0.00 0.00 177.00 175.89 2k4w n HIS 36 N -1.61 -0.07 -3.17 0.56 1.44 -1.21 -4.23 115.22 106.92 2k4w n HIS 36 Ca -0.02 -1.45 -0.25 0.00 -2.01 0.00 0.00 57.72 53.99 2k4w n HIS 36 Cb 0.55 0.37 -0.01 0.00 0.12 0.00 0.00 29.99 31.03 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 -2.55 3.89 0.00 2.39 1.02 -1.20 -4.70 118.68 117.52 2k4w s LEU 37 Ca 0.20 0.54 0.00 0.00 0.02 0.00 0.00 54.13 54.89 2k4w s LEU 37 Cb 0.32 -3.42 0.00 0.00 0.02 0.00 0.00 46.19 43.11 2k4w s LEU 37 CO -0.09 -0.40 0.83 2.29 0.02 0.00 0.00 176.35 179.00 2k4w n LYS 38 N -1.93 0.00 -2.81 1.70 0.00 -1.26 -0.57 118.16 113.30 2k4w n LYS 38 Ca -0.03 -0.76 -0.10 0.00 -0.00 0.00 0.00 58.31 57.42 2k4w n LYS 38 Cb 0.56 -0.41 0.03 0.00 -0.00 0.00 0.00 35.03 35.21 2k4w n LYS 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2k4w n ALA 39 N 0.00 -0.99 -2.51 0.58 0.00 -0.88 -4.68 120.51 112.03 2k4w n ALA 39 Ca 0.00 -1.61 -0.24 0.00 0.00 0.00 0.00 53.44 51.59 2k4w n ALA 39 Cb 0.64 -1.29 -0.11 0.00 0.00 0.00 0.00 19.45 18.69 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 -0.62 2.53 0.26 0.00 1.43 -0.86 -5.06 118.68 116.36 2k4w s LEU 40 Ca 0.32 -1.32 -0.30 0.00 -1.03 0.00 0.00 54.13 51.80 2k4w s LEU 40 Cb 0.20 -0.66 -0.14 0.00 0.03 0.00 0.00 46.19 45.63 2k4w s LEU 40 CO -0.22 -0.47 1.25 -0.81 0.23 0.00 0.00 176.35 176.33 2k4w n PRO 41 N -0.77 1.75 -0.53 1.29 -0.04 -1.26 -4.30 135.00 131.13 2k4w n PRO 41 Ca -0.04 0.62 -0.06 0.00 -0.04 0.00 0.00 63.50 63.98 2k4w n PRO 41 Cb 0.66 -2.16 0.13 0.00 -0.04 0.00 0.00 33.50 32.08 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 1.33 2.06 0.00 0.54 -0.04 -1.26 -4.81 135.00 132.83 2k4w n PRO 42 Ca 0.10 -1.47 0.00 0.00 -0.04 0.00 0.00 63.50 62.09 2k4w n PRO 42 Cb 0.32 -1.68 0.00 0.00 -0.04 0.00 0.00 33.50 32.10 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 -0.08 4.82 3.75 0.55 0.00 -1.26 -3.15 105.19 109.82 2k4w n GLY 43 Ca 0.23 -1.80 -0.40 0.00 0.00 0.00 0.00 46.02 44.05 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 2.37 4.84 -0.05 1.61 8.01 -1.26 -0.90 118.70 133.31 2k4w s GLU 44 Ca 0.00 1.52 0.02 0.00 0.01 0.00 0.00 54.97 56.52 2k4w s GLU 44 Cb 0.00 -3.27 0.01 0.00 -4.31 0.00 0.00 34.13 26.56 2k4w s GLU 44 CO 0.00 0.48 -0.09 -1.01 0.01 0.00 0.00 175.26 174.66 2k4w s HIS 45 N -1.17 1.09 0.68 1.61 3.76 -1.10 -2.48 115.29 117.69 2k4w s HIS 45 Ca 0.41 -0.34 -0.16 0.00 -0.15 0.00 0.00 55.06 54.82 2k4w s HIS 45 Cb -0.27 -0.83 0.01 0.00 1.11 0.00 0.00 32.58 32.61 2k4w s HIS 45 CO 0.33 -0.20 1.21 0.20 -0.85 0.00 0.00 174.74 175.43 2k4w s GLY 46 N 0.60 2.48 -0.23 -2.22 0.00 0.15 0.22 107.32 108.31 2k4w s GLY 46 Ca -0.10 0.92 -0.00 0.00 0.00 0.00 0.00 44.72 45.54 2k4w s GLY 46 CO 0.02 1.33 -0.01 -0.12 0.00 0.00 0.00 173.10 174.31 2k4w s PHE 47 N -1.85 2.02 0.35 1.90 5.36 -1.25 -0.77 117.98 123.73 2k4w s PHE 47 Ca 0.75 -1.55 0.08 0.00 -0.96 0.00 0.00 56.93 55.25 2k4w s PHE 47 Cb -0.30 -1.48 -0.04 0.00 -0.34 0.00 0.00 43.02 40.85 2k4w s PHE 47 CO 0.41 -0.74 0.13 -1.01 -1.46 0.00 0.00 175.22 172.55 2k4w s HIS 48 N 1.52 2.67 -0.05 10.12 3.76 -0.73 -1.57 115.29 131.00 2k4w s HIS 48 Ca -0.03 -0.41 0.05 0.00 -0.15 0.00 0.00 55.06 54.52 2k4w s HIS 48 Cb -0.18 -1.65 -0.02 0.00 1.11 0.00 0.00 32.58 31.83 2k4w s HIS 48 CO -0.08 0.34 -0.19 0.42 -0.85 0.00 0.00 174.74 174.38 2k4w s ILE 49 N -2.46 2.62 0.20 0.60 1.01 0.26 -0.81 121.20 122.62 2k4w s ILE 49 Ca 0.38 -0.88 0.11 0.00 0.00 0.00 0.00 60.65 60.26 2k4w s ILE 49 Cb -0.02 -2.00 -0.04 0.00 0.01 0.00 0.00 42.46 40.41 2k4w s ILE 49 CO 0.22 0.58 -0.19 -1.00 0.00 0.00 0.00 174.94 174.55 2k4w s HIS 50 N -0.48 2.40 0.39 3.97 3.76 -0.85 -3.76 115.29 120.73 2k4w s HIS 50 Ca 0.06 -0.32 0.10 0.00 -0.15 0.00 0.00 55.06 54.75 2k4w s HIS 50 Cb -0.12 -1.17 0.80 0.00 1.11 0.00 0.00 32.58 33.21 2k4w s HIS 50 CO 0.01 0.53 1.93 0.00 -0.85 0.00 0.00 174.74 176.36 2k4w h ALA 51 N 2.99 1.53 -2.23 -1.40 0.00 -0.63 -3.33 119.26 116.20 2k4w h ALA 51 Ca -0.46 -0.19 -0.34 0.00 0.00 0.00 0.00 54.91 53.92 2k4w h ALA 51 Cb 1.21 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.77 2k4w h ALA 51 CO 0.51 0.34 -0.68 -0.80 0.00 0.00 0.00 179.25 178.62 2k4w s ASN 52 N -6.87 1.66 -1.06 0.00 0.01 -0.40 -4.78 114.94 103.50 2k4w s ASN 52 Ca -0.06 -1.15 -0.15 0.00 -0.71 0.00 0.00 52.86 50.80 2k4w s ASN 52 Cb 0.16 0.03 0.18 0.00 0.41 0.00 0.00 41.25 42.03 2k4w s ASN 52 CO 0.73 -0.47 1.20 -0.83 -1.51 0.00 0.00 177.10 176.22 2k4w s GLY 53 N -3.23 2.41 -0.41 0.66 0.00 -0.56 -3.21 107.32 102.97 2k4w s GLY 53 Ca 0.24 -3.24 0.08 0.00 0.00 0.00 0.00 44.72 41.79 2k4w s GLY 53 CO 0.05 1.83 0.64 -0.45 0.00 0.00 0.00 173.10 175.17 2k4w s SER 54 N 2.77 -1.53 0.00 1.64 0.15 -1.26 -4.86 113.70 110.61 2k4w s SER 54 Ca 0.35 -0.82 -0.02 0.00 0.70 0.00 0.00 55.95 56.16 2k4w s SER 54 Cb -0.05 1.96 -0.09 0.00 -1.71 0.00 0.00 66.02 66.12 2k4w s SER 54 CO -0.05 -0.16 1.56 0.00 1.20 0.00 0.00 173.24 175.78 2k4w s GLN 56 N 2.12 0.89 0.54 0.00 1.11 -1.26 -1.59 119.66 121.47 2k4w s GLN 56 Ca 0.22 -0.39 -0.02 0.00 0.01 0.00 0.00 55.36 55.18 2k4w s GLN 56 Cb 0.11 -0.86 0.01 0.00 -1.01 0.00 0.00 33.01 31.26 2k4w s GLN 56 CO 0.00 0.23 0.79 -1.25 0.01 0.00 0.00 175.29 175.07 2k4w s PRO 57 N -0.23 2.83 0.01 2.91 0.04 -1.24 -1.54 135.00 137.79 2k4w s PRO 57 Ca 0.04 -0.38 0.04 0.00 0.04 0.00 0.00 61.00 60.74 2k4w s PRO 57 Cb -0.04 -2.42 -0.03 0.00 0.04 0.00 0.00 34.50 32.04 2k4w s PRO 57 CO -0.00 -0.58 -0.11 0.00 0.04 0.00 0.00 177.00 176.35 2k4w s ALA 58 N -2.80 2.87 -0.97 8.56 0.00 -1.17 -4.76 121.76 123.49 2k4w s ALA 58 Ca 0.53 -1.07 -0.00 0.00 0.00 0.00 0.00 51.96 51.41 2k4w s ALA 58 Cb -0.10 -1.00 0.32 0.00 0.00 0.00 0.00 23.12 22.34 2k4w s ALA 58 CO 0.41 0.60 1.73 -0.89 0.00 0.00 0.00 175.76 177.61 2k4w n ILE 59 N 1.59 5.67 -2.09 0.00 2.08 -1.26 -0.53 119.36 124.81 2k4w n ILE 59 Ca -0.16 -5.88 -0.34 0.00 0.56 0.00 0.00 62.75 56.94 2k4w n ILE 59 Cb 0.52 -1.52 0.01 0.00 -0.75 0.00 0.00 39.64 37.91 2k4w n ILE 59 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 2k4w s LYS 60 N -4.23 3.24 -1.47 0.38 3.01 -1.23 -3.93 119.74 115.52 2k4w s LYS 60 Ca 0.41 1.41 0.00 0.00 -1.01 0.00 0.00 55.97 56.78 2k4w s LYS 60 Cb 0.21 -2.01 0.00 0.00 -1.01 0.00 0.00 37.83 35.02 2k4w s LYS 60 CO -0.14 -0.90 0.00 -3.47 0.51 0.00 0.00 175.35 171.34 2k4w n ASP 61 N -1.77 -4.12 -0.71 2.83 2.03 -1.26 -1.42 116.55 112.14 2k4w n ASP 61 Ca 0.10 0.34 -0.09 0.00 0.52 0.00 0.00 54.79 55.66 2k4w n ASP 61 Cb 0.52 -3.62 -0.04 0.00 -0.72 0.00 0.00 41.12 37.26 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 -0.18 1.07 2.96 0.27 0.00 -1.25 -5.03 105.19 103.03 2k4w n GLY 62 Ca -0.14 -0.62 -0.11 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.81 0.26 -0.52 1.61 -2.07 -0.51 -5.10 119.66 110.53 2k4w s GLN 63 Ca 0.00 -0.42 -0.22 0.00 -1.82 0.00 0.00 55.36 52.89 2k4w s GLN 63 Cb 0.00 -0.01 0.04 0.00 -1.09 0.00 0.00 33.01 31.96 2k4w s GLN 63 CO 0.00 -0.01 0.81 0.00 -1.32 0.00 0.00 175.29 174.77 2k4w s ALA 64 N -0.94 3.25 -0.87 2.60 0.00 -1.26 -3.46 121.76 121.08 2k4w s ALA 64 Ca -0.09 -1.33 -0.25 0.00 0.00 0.00 0.00 51.96 50.29 2k4w s ALA 64 Cb -0.07 -3.57 -0.01 0.00 0.00 0.00 0.00 23.12 19.48 2k4w s ALA 64 CO -0.00 -2.17 1.76 0.08 0.00 0.00 0.00 175.76 175.42 2k4w s VAL 65 N 3.42 3.57 0.08 0.00 1.01 0.31 -4.67 120.40 124.12 2k4w s VAL 65 Ca 0.26 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.94 2k4w s VAL 65 Cb -0.14 -4.32 0.10 0.00 0.00 0.00 0.00 36.38 32.01 2k4w s VAL 65 CO 0.18 -1.26 0.39 0.00 0.00 0.00 0.00 175.10 174.41 2k4w n ALA 66 N 12.17 0.16 -3.67 5.51 0.00 -1.26 -3.06 120.51 130.36 2k4w n ALA 66 Ca 0.32 0.26 -0.10 0.00 0.00 0.00 0.00 53.44 53.93 2k4w n ALA 66 Cb 0.49 -0.21 -0.10 0.00 0.00 0.00 0.00 19.45 19.63 2k4w n ALA 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k4w s ALA 67 N -4.85 -1.04 -0.26 0.00 0.00 -1.26 -3.29 121.76 111.07 2k4w s ALA 67 Ca -0.03 1.44 -0.11 0.00 0.00 0.00 0.00 51.96 53.26 2k4w s ALA 67 Cb 0.08 -1.13 -0.12 0.00 0.00 0.00 0.00 23.12 21.95 2k4w s ALA 67 CO 0.19 -0.55 -0.32 -1.91 0.00 0.00 0.00 175.76 173.18 2k4w n GLU 68 N 4.93 0.55 0.16 0.00 2.13 -0.59 -4.68 120.64 123.14 2k4w n GLU 68 Ca -0.14 0.23 0.12 0.00 0.66 0.00 0.00 57.16 58.02 2k4w n GLU 68 Cb 0.52 -1.42 0.56 0.00 0.27 0.00 0.00 31.44 31.37 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 -4.03 1.31 0.25 4.31 0.00 -1.19 -1.61 120.51 119.55 2k4w n ALA 69 Ca -0.50 0.16 0.03 0.00 0.00 0.00 0.00 53.44 53.13 2k4w n ALA 69 Cb 0.87 -1.36 0.14 0.00 0.00 0.00 0.00 19.45 19.10 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 -1.79 1.37 0.00 0.00 0.00 -0.83 -4.46 120.51 114.80 2k4w n ALA 70 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2k4w n ALA 70 Cb 0.12 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.47 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 -0.82 2.95 0.00 0.00 0.00 -0.63 -1.28 105.19 105.40 2k4w n GLY 71 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.38 -1.66 3.74 -0.02 0.00 -1.26 -4.78 105.19 100.82 2k4w n GLY 72 Ca 0.00 -2.10 -0.37 0.00 0.00 0.00 0.00 46.02 43.55 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 -0.09 2.18 -1.31 1.61 3.76 -1.26 -1.89 115.29 118.28 2k4w s HIS 73 Ca 0.00 1.45 -0.17 0.00 -0.15 0.00 0.00 55.06 56.19 2k4w s HIS 73 Cb 0.00 -3.72 0.01 0.00 1.11 0.00 0.00 32.58 29.98 2k4w s HIS 73 CO 0.00 -2.86 2.05 -0.11 -0.85 0.00 0.00 174.74 172.97 2k4w n LEU 74 N -1.56 5.77 -4.36 0.89 7.94 -1.25 -4.60 117.00 119.83 2k4w n LEU 74 Ca 0.14 -3.85 -0.44 0.00 -1.11 0.00 0.00 56.01 50.74 2k4w n LEU 74 Cb 0.47 -1.61 -0.07 0.00 0.53 0.00 0.00 43.42 42.74 2k4w n LEU 74 CO 0.49 0.49 0.04 1.51 -1.11 0.00 0.00 177.39 178.81 2k4w s ASP 75 N 3.90 6.12 -0.09 1.96 -4.77 -1.26 -4.12 116.67 118.40 2k4w s ASP 75 Ca 0.51 -1.43 -0.21 0.00 -3.30 0.00 0.00 52.55 48.12 2k4w s ASP 75 Cb 0.11 -2.18 -0.28 0.00 -1.09 0.00 0.00 42.92 39.48 2k4w s ASP 75 CO -0.00 -0.68 0.72 1.55 0.70 0.00 0.00 175.17 177.46 2k4w h PRO 76 N 8.76 0.20 0.00 2.11 0.13 -1.93 -3.47 132.00 137.80 2k4w h PRO 76 Ca -0.28 -0.35 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 2k4w h PRO 76 Cb 1.11 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2k4w h PRO 76 CO 0.90 1.17 0.00 0.00 -0.23 0.00 0.00 178.00 179.84 2k4w n GLN 77 N -4.18 0.00 0.21 0.86 10.64 -1.26 -4.99 117.38 118.65 2k4w n GLN 77 Ca -0.18 0.00 0.06 0.00 -1.83 0.00 0.00 57.00 55.05 2k4w n GLN 77 Cb 0.77 0.00 0.44 0.00 -0.86 0.00 0.00 30.24 30.59 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 4.21 -1.91 -3.48 115.58 117.01 2k4w h ASN 78 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2k4w h ASN 78 Cb 0.45 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.65 2k4w h ASN 78 CO 0.00 0.31 0.00 0.41 -1.29 0.00 0.00 177.43 176.86 2k4w n THR 79 N -3.78 0.00 0.72 2.81 -1.04 -1.26 -4.77 114.28 106.96 2k4w n THR 79 Ca -0.01 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.11 2k4w n THR 79 Cb 0.40 0.00 0.08 0.00 -1.82 0.00 0.00 70.33 68.99 2k4w n THR 79 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k4w n GLY 80 N 0.58 -1.22 0.00 3.41 0.00 -1.26 -4.19 105.19 102.50 2k4w n GLY 80 Ca 0.00 -0.40 0.03 0.00 0.00 0.00 0.00 46.02 45.65 2k4w n GLY 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k4w n LYS 81 N -1.81 0.08 0.00 1.61 5.02 -1.26 -4.89 118.16 116.91 2k4w n LYS 81 Ca 0.03 0.24 0.00 0.00 -2.02 0.00 0.00 58.31 56.56 2k4w n LYS 81 Cb 0.40 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 2k4w n LYS 81 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 2k4w n HIS 82 N -1.30 0.00 -2.91 2.13 -0.00 -1.26 -4.77 115.22 107.10 2k4w n HIS 82 Ca 0.03 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.42 2k4w n HIS 82 Cb 0.05 -0.64 -0.07 0.00 -0.00 0.00 0.00 29.99 29.34 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 -4.96 4.15 0.00 1.57 2.56 -1.26 -4.25 118.70 116.51 2k4w s GLU 83 Ca 0.00 0.97 0.00 0.00 0.00 0.00 0.00 54.97 55.94 2k4w s GLU 83 Cb 0.00 -2.26 0.00 0.00 2.00 0.00 0.00 34.13 33.87 2k4w s GLU 83 CO 0.00 0.02 0.00 0.41 -0.56 0.00 0.00 175.26 175.13 2k4w n GLY 84 N -0.58 -0.62 0.24 -1.50 0.00 -1.26 -4.72 105.19 96.74 2k4w n GLY 84 Ca 0.06 0.64 0.15 0.00 0.00 0.00 0.00 46.02 46.87 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 -6.13 1.61 0.13 -1.95 -3.42 132.00 122.25 2k4w h PRO 85 Ca 0.00 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.57 2k4w h PRO 85 Cb 0.00 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 30.96 2k4w h PRO 85 CO 0.00 0.00 -0.79 -1.21 -0.23 0.00 0.00 178.00 175.77 2k4w s GLU 86 N -3.50 1.40 -0.28 0.86 0.41 -1.26 -5.15 118.70 111.19 2k4w s GLU 86 Ca 0.03 -1.50 -0.11 0.00 -0.41 0.00 0.00 54.97 52.98 2k4w s GLU 86 Cb 0.08 -1.51 -0.05 0.00 -1.78 0.00 0.00 34.13 30.87 2k4w s GLU 86 CO 0.55 0.31 0.21 0.20 -0.49 0.00 0.00 175.26 176.03 2k4w s GLY 87 N -2.83 1.93 0.00 -1.39 0.00 -1.26 -4.78 107.32 98.99 2k4w s GLY 87 Ca 0.20 -1.05 0.00 0.00 0.00 0.00 0.00 44.72 43.86 2k4w s GLY 87 CO 0.09 0.67 0.00 -1.06 0.00 0.00 0.00 173.10 172.80 2k4w n GLN 88 N 5.05 0.00 0.00 2.90 1.13 -1.26 -5.07 117.38 120.14 2k4w n GLN 88 Ca -0.13 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.93 2k4w n GLN 88 Cb 0.52 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.87 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 0.00 3.76 3.76 1.08 0.00 -1.26 -4.51 105.19 108.02 2k4w n GLY 89 Ca 0.00 -1.89 -0.40 0.00 0.00 0.00 0.00 46.02 43.73 2k4w n GLY 89 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k4w s HIS 90 N 2.31 3.62 0.52 1.61 3.76 -1.26 -4.67 115.29 121.19 2k4w s HIS 90 Ca 0.00 1.72 0.38 0.00 -0.15 0.00 0.00 55.06 57.01 2k4w s HIS 90 Cb 0.00 -3.25 2.00 0.00 1.11 0.00 0.00 32.58 32.44 2k4w s HIS 90 CO 0.00 -0.45 2.24 1.37 -0.85 0.00 0.00 174.74 177.05 2k4w h LEU 91 N 3.86 0.00 -2.29 0.89 8.10 -1.89 -2.46 115.31 121.52 2k4w h LEU 91 Ca -0.47 0.00 -0.10 0.00 0.11 0.00 0.00 57.88 57.43 2k4w h LEU 91 Cb 1.21 0.00 -0.06 0.00 -0.44 0.00 0.00 40.66 41.37 2k4w h LEU 91 CO 0.67 0.02 0.12 0.61 -4.11 0.00 0.00 178.44 175.75 2k4w n GLY 92 N -0.87 2.45 3.46 0.17 0.00 -1.26 -3.79 105.19 105.36 2k4w n GLY 92 Ca -0.02 -0.31 -0.33 0.00 0.00 0.00 0.00 46.02 45.36 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 0.11 4.48 0.07 1.61 1.01 -0.93 -0.57 116.67 122.45 2k4w s ASP 93 Ca 0.17 -0.18 -0.01 0.00 0.71 0.00 0.00 52.55 53.24 2k4w s ASP 93 Cb 0.14 -1.61 -0.04 0.00 1.01 0.00 0.00 42.92 42.42 2k4w s ASP 93 CO 0.04 0.20 -0.02 -0.76 0.21 0.00 0.00 175.17 174.84 2k4w s LEU 94 N 0.16 2.39 0.65 1.23 1.02 -0.61 -4.93 118.68 118.59 2k4w s LEU 94 Ca -0.04 -1.03 -0.11 0.00 0.02 0.00 0.00 54.13 52.97 2k4w s LEU 94 Cb -0.14 0.17 -0.02 0.00 0.02 0.00 0.00 46.19 46.22 2k4w s LEU 94 CO 0.04 -0.60 1.04 -2.16 0.02 0.00 0.00 176.35 174.69 2k4w s PRO 95 N -3.92 3.29 0.15 1.29 0.04 -1.26 -3.97 135.00 130.62 2k4w s PRO 95 Ca 0.10 0.87 -0.31 0.00 0.04 0.00 0.00 61.00 61.70 2k4w s PRO 95 Cb 0.07 -2.04 -0.08 0.00 0.04 0.00 0.00 34.50 32.50 2k4w s PRO 95 CO -0.07 -0.82 1.34 0.14 0.04 0.00 0.00 177.00 177.63 2k4w s VAL 96 N -3.08 3.29 -1.29 -0.36 -7.23 -1.26 -4.30 120.40 106.17 2k4w s VAL 96 Ca 0.57 0.99 -0.17 0.00 -1.81 0.00 0.00 61.98 61.55 2k4w s VAL 96 Cb -0.13 -3.63 0.02 0.00 0.56 0.00 0.00 36.38 33.20 2k4w s VAL 96 CO 0.53 0.11 1.97 -0.11 -0.31 0.00 0.00 175.10 177.29 2k4w n LEU 97 N 3.32 5.40 -4.75 1.32 -0.00 0.13 -4.83 117.00 117.60 2k4w n LEU 97 Ca 0.09 -3.82 -0.41 0.00 -0.00 0.00 0.00 56.01 51.86 2k4w n LEU 97 Cb 0.43 -1.65 -0.03 0.00 -0.00 0.00 0.00 43.42 42.17 2k4w n LEU 97 CO 0.58 0.26 1.01 -0.69 -0.00 0.00 0.00 177.39 178.55 2k4w s VAL 98 N 4.61 2.96 0.31 1.96 1.01 -1.26 -2.70 120.40 127.29 2k4w s VAL 98 Ca 0.53 0.84 0.09 0.00 0.00 0.00 0.00 61.98 63.44 2k4w s VAL 98 Cb 0.08 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.88 2k4w s VAL 98 CO 0.02 0.15 0.02 0.68 0.00 0.00 0.00 175.10 175.98 2k4w s VAL 99 N -0.26 3.00 0.65 2.92 -7.23 -0.08 -4.29 120.40 115.12 2k4w s VAL 99 Ca 0.55 -1.91 -0.03 0.00 -1.81 0.00 0.00 61.98 58.78 2k4w s VAL 99 Cb -0.38 -2.83 0.06 0.00 0.56 0.00 0.00 36.38 33.79 2k4w s VAL 99 CO 0.43 -0.27 0.93 0.54 -0.31 0.00 0.00 175.10 176.42 2k4w s ASN 100 N -3.72 4.89 0.43 4.85 2.20 -0.93 -4.10 114.94 118.56 2k4w s ASN 100 Ca 0.34 0.18 0.10 0.00 -0.94 0.00 0.00 52.86 52.54 2k4w s ASN 100 Cb -0.03 -0.88 0.52 0.00 -2.00 0.00 0.00 41.25 38.86 2k4w s ASN 100 CO 0.20 -1.48 1.17 -0.55 -2.94 0.00 0.00 177.10 173.50 2k4w h ASN 101 N -0.36 0.00 0.12 3.54 7.08 -1.90 -0.26 115.58 123.79 2k4w h ASN 101 Ca -0.43 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.79 2k4w h ASN 101 Cb 1.30 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.54 2k4w h ASN 101 CO 0.54 0.00 -0.62 0.47 -2.08 0.00 0.00 177.43 175.75 2k4w n ASP 102 N -2.14 1.27 0.00 6.14 9.92 -1.26 -4.82 116.55 125.65 2k4w n ASP 102 Ca -0.01 -1.03 0.00 0.00 -0.53 0.00 0.00 54.79 53.22 2k4w n ASP 102 Cb 0.56 0.55 0.00 0.00 -0.64 0.00 0.00 41.12 41.60 2k4w n ASP 102 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2k4w n GLY 103 N 1.45 0.86 3.16 0.44 0.00 -0.11 -4.89 105.19 106.10 2k4w n GLY 103 Ca 0.07 -0.35 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 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 1.82 -0.22 -0.61 1.01 -1.25 -2.02 121.20 117.93 2k4w s ILE 104 Ca 0.00 -0.87 -0.11 0.00 0.00 0.00 0.00 60.65 59.67 2k4w s ILE 104 Cb 0.00 -1.60 -0.05 0.00 0.01 0.00 0.00 42.46 40.83 2k4w s ILE 104 CO 0.00 0.51 0.17 0.00 0.00 0.00 0.00 174.94 175.62 2k4w s ALA 105 N 0.51 3.63 0.00 9.38 0.00 0.26 -2.20 121.76 133.35 2k4w s ALA 105 Ca -0.16 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.02 2k4w s ALA 105 Cb -0.17 -2.30 0.00 0.00 0.00 0.00 0.00 23.12 20.65 2k4w s ALA 105 CO 0.06 -0.08 0.48 -2.37 0.00 0.00 0.00 175.76 173.85 2k4w n THR 106 N 4.01 0.00 -3.03 0.00 5.66 -1.26 -3.26 114.28 116.40 2k4w n THR 106 Ca -0.15 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.43 2k4w n THR 106 Cb 0.52 0.08 -0.06 0.00 -1.55 0.00 0.00 70.33 69.32 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 3.62 0.24 1.09 0.41 -1.26 -4.88 118.70 117.92 2k4w s GLU 107 Ca 0.00 0.07 -0.30 0.00 -0.41 0.00 0.00 54.97 54.34 2k4w s GLU 107 Cb 0.00 -3.84 -0.09 0.00 -1.78 0.00 0.00 34.13 28.42 2k4w s GLU 107 CO 0.00 -0.87 1.04 -1.25 -0.49 0.00 0.00 175.26 173.70 2k4w s PRO 108 N 2.95 4.70 0.20 0.39 0.04 -1.26 -4.46 135.00 137.56 2k4w s PRO 108 Ca 0.27 1.68 0.00 0.00 0.04 0.00 0.00 61.00 63.00 2k4w s PRO 108 Cb -0.14 -3.24 -0.05 0.00 0.04 0.00 0.00 34.50 31.12 2k4w s PRO 108 CO 0.17 0.28 0.07 0.14 0.04 0.00 0.00 177.00 177.70 2k4w s VAL 109 N -0.93 0.38 -0.02 -0.36 -7.23 -0.54 -5.02 120.40 106.68 2k4w s VAL 109 Ca 0.44 -1.98 0.01 0.00 -1.81 0.00 0.00 61.98 58.65 2k4w s VAL 109 Cb -0.29 -2.34 0.01 0.00 0.56 0.00 0.00 36.38 34.32 2k4w s VAL 109 CO 0.37 -0.23 -0.03 -0.89 -0.31 0.00 0.00 175.10 174.00 2k4w s THR 110 N -3.87 0.33 -0.51 5.32 2.01 -1.26 -0.31 115.64 117.36 2k4w s THR 110 Ca 0.31 -0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.24 2k4w s THR 110 Cb 0.07 -0.35 0.13 0.00 0.01 0.00 0.00 72.50 72.36 2k4w s THR 110 CO 0.08 0.14 0.28 0.00 -0.69 0.00 0.00 174.62 174.43 2k4w s ALA 111 N 0.52 3.31 -0.86 7.40 0.00 -0.05 -4.81 121.76 127.27 2k4w s ALA 111 Ca -0.06 -3.03 -0.25 0.00 0.00 0.00 0.00 51.96 48.63 2k4w s ALA 111 Cb -0.09 -2.35 0.02 0.00 0.00 0.00 0.00 23.12 20.71 2k4w s ALA 111 CO -0.01 -1.96 1.49 -1.25 0.00 0.00 0.00 175.76 174.04 2k4w s PRO 112 N 0.22 3.21 0.03 0.00 0.04 -1.01 -2.38 135.00 135.12 2k4w s PRO 112 Ca 0.15 -0.51 0.00 0.00 0.04 0.00 0.00 61.00 60.68 2k4w s PRO 112 Cb -0.22 -4.78 0.00 0.00 0.04 0.00 0.00 34.50 29.53 2k4w s PRO 112 CO -0.03 -2.39 0.00 -2.13 0.04 0.00 0.00 177.00 172.49 2k4w n ARG 113 N 9.10 0.00 -1.82 4.56 3.00 -1.26 -5.03 116.66 125.20 2k4w n ARG 113 Ca 0.21 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.76 2k4w n ARG 113 Cb 0.50 0.00 0.04 0.00 0.00 0.00 0.00 32.46 33.00 2k4w n ARG 113 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2k4w s LEU 114 N -5.04 3.01 0.00 6.15 2.01 -1.25 -4.86 118.68 118.70 2k4w s LEU 114 Ca 0.00 1.29 0.00 0.00 0.01 0.00 0.00 54.13 55.43 2k4w s LEU 114 Cb 0.00 -4.17 0.00 0.00 0.01 0.00 0.00 46.19 42.03 2k4w s LEU 114 CO 0.00 -1.24 0.00 1.17 1.01 0.00 0.00 176.35 177.29 2k4w n LYS 115 N -2.97 1.95 -4.31 1.70 4.81 -1.26 -4.39 118.16 113.70 2k4w n LYS 115 Ca 0.07 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.26 2k4w n LYS 115 Cb 0.56 -0.97 -0.12 0.00 0.02 0.00 0.00 35.03 34.51 2k4w n LYS 115 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 2k4w s SER 116 N -2.35 2.69 0.27 3.14 0.01 -1.26 -4.47 113.70 111.73 2k4w s SER 116 Ca 0.00 -0.71 -0.02 0.00 1.31 0.00 0.00 55.95 56.53 2k4w s SER 116 Cb 0.00 -0.16 0.37 0.00 0.21 0.00 0.00 66.02 66.44 2k4w s SER 116 CO 0.00 0.07 1.80 -0.07 0.41 0.00 0.00 173.24 175.46 2k4w h LEU 117 N 3.97 0.79 -1.97 2.44 3.38 -1.97 -2.70 115.31 119.25 2k4w h LEU 117 Ca -0.47 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.35 2k4w h LEU 117 Cb 1.18 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.72 2k4w h LEU 117 CO 0.40 0.79 0.05 -2.24 0.09 0.00 0.00 178.44 177.53 2k4w h ASP 118 N 0.81 0.00 0.56 -0.43 3.04 -2.00 -0.75 116.42 117.64 2k4w h ASP 118 Ca 0.17 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.96 2k4w h ASP 118 Cb 0.33 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.62 2k4w h ASP 118 CO 0.00 0.00 -0.12 -0.62 -2.04 0.00 0.00 179.24 176.46 2k4w n GLU 119 N -2.56 0.39 -0.04 4.15 1.02 -1.02 -4.02 120.64 118.55 2k4w n GLU 119 Ca -0.02 -0.11 0.01 0.00 -0.02 0.00 0.00 57.16 57.03 2k4w n GLU 119 Cb 0.09 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.03 2k4w n GLU 119 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 2k4w n VAL 120 N -1.21 0.76 0.47 2.62 0.24 -0.30 -4.92 118.33 116.00 2k4w n VAL 120 Ca 0.11 -0.81 0.00 0.00 -2.04 0.00 0.00 64.34 61.61 2k4w n VAL 120 Cb 0.29 0.55 0.00 0.00 -1.47 0.00 0.00 33.84 33.21 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 -0.44 0.28 -0.72 7.34 2.85 -1.17 -2.12 118.16 124.18 2k4w n LYS 121 Ca 0.02 0.00 -0.01 0.00 -1.05 0.00 0.00 58.31 57.27 2k4w n LYS 121 Cb 0.40 -1.05 -0.01 0.00 -0.65 0.00 0.00 35.03 33.72 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 -0.22 -0.05 -4.65 -5.58 2.03 -1.26 -4.74 116.55 102.07 2k4w n ASP 122 Ca 0.00 -1.60 -0.30 0.00 0.52 0.00 0.00 54.79 53.41 2k4w n ASP 122 Cb 0.02 -0.04 -0.09 0.00 -0.72 0.00 0.00 41.12 40.29 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 2.07 -0.06 -0.67 1.02 -0.90 -1.50 119.74 119.69 2k4w s LYS 123 Ca 0.04 -2.26 0.01 0.00 0.02 0.00 0.00 55.97 53.79 2k4w s LYS 123 Cb 0.05 -1.48 -0.03 0.00 -0.52 0.00 0.00 37.83 35.85 2k4w s LYS 123 CO -0.02 -0.25 -0.06 0.00 -0.92 0.00 0.00 175.35 174.10 2k4w s ALA 124 N -2.86 3.00 0.05 5.17 0.00 -1.20 -1.21 121.76 124.73 2k4w s ALA 124 Ca 0.19 -0.90 -0.15 0.00 0.00 0.00 0.00 51.96 51.10 2k4w s ALA 124 Cb 0.05 -1.23 -0.06 0.00 0.00 0.00 0.00 23.12 21.88 2k4w s ALA 124 CO 0.10 0.58 0.47 -0.51 0.00 0.00 0.00 175.76 176.40 2k4w s LEU 125 N -0.88 4.45 -0.04 0.00 1.43 -0.23 -2.00 118.68 121.40 2k4w s LEU 125 Ca 0.13 1.04 0.02 0.00 -1.03 0.00 0.00 54.13 54.28 2k4w s LEU 125 Cb -0.11 -2.83 0.02 0.00 0.03 0.00 0.00 46.19 43.30 2k4w s LEU 125 CO 0.02 0.26 -0.06 -0.04 0.23 0.00 0.00 176.35 176.76 2k4w s MET 126 N -1.33 0.95 -0.43 1.70 -1.94 0.01 -0.71 119.30 117.54 2k4w s MET 126 Ca 0.28 -0.19 -0.20 0.00 -1.71 0.00 0.00 55.69 53.88 2k4w s MET 126 Cb -0.17 -0.89 0.02 0.00 2.01 0.00 0.00 34.83 35.80 2k4w s MET 126 CO 0.16 -0.02 0.58 0.42 -0.01 0.00 0.00 175.02 176.15 2k4w s ILE 127 N 0.68 4.91 0.21 2.53 1.01 0.20 -1.78 121.20 128.96 2k4w s ILE 127 Ca -0.10 -0.00 -0.22 0.00 0.00 0.00 0.00 60.65 60.33 2k4w s ILE 127 Cb -0.13 -4.14 -0.08 0.00 0.01 0.00 0.00 42.46 38.11 2k4w s ILE 127 CO 0.01 -0.52 0.75 -1.00 0.00 0.00 0.00 174.94 174.18 2k4w s HIS 128 N 2.60 3.74 0.30 3.97 3.76 0.05 -0.57 115.29 129.13 2k4w s HIS 128 Ca 0.19 1.49 -0.01 0.00 -0.15 0.00 0.00 55.06 56.59 2k4w s HIS 128 Cb -0.15 -2.69 0.46 0.00 1.11 0.00 0.00 32.58 31.32 2k4w s HIS 128 CO 0.17 0.39 1.94 0.28 -0.85 0.00 0.00 174.74 176.67 2k4w h VAL 129 N 2.93 1.16 -1.98 -0.90 2.07 -1.17 -2.86 116.25 115.50 2k4w h VAL 129 Ca -0.48 -0.38 -0.59 0.00 0.82 0.00 0.00 66.70 66.08 2k4w h VAL 129 Cb 1.20 -0.04 -0.13 0.00 -1.52 0.00 0.00 31.29 30.79 2k4w h VAL 129 CO 0.65 0.20 -0.60 -0.83 0.02 0.00 0.00 177.57 177.01 2k4w s GLY 130 N -3.32 2.39 1.06 2.17 0.00 -1.26 -4.72 107.32 103.63 2k4w s GLY 130 Ca -0.12 -2.24 -0.12 0.00 0.00 0.00 0.00 44.72 42.24 2k4w s GLY 130 CO 0.80 -2.02 1.07 -0.32 0.00 0.00 0.00 173.10 172.62 2k4w s GLY 131 N -3.65 1.59 0.00 0.20 0.00 -1.03 -0.68 107.32 103.75 2k4w s GLY 131 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 44.72 45.08 2k4w s GLY 131 CO 0.17 0.62 0.28 1.34 0.00 0.00 0.00 173.10 175.51 2k4w n ASP 132 N -4.55 0.00 -1.43 1.64 2.03 -1.26 -4.76 116.55 108.22 2k4w n ASP 132 Ca 0.06 -1.00 0.00 0.00 0.52 0.00 0.00 54.79 54.37 2k4w n ASP 132 Cb 0.54 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.94 2k4w n ASP 132 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2k4w n ASN 133 N 0.00 3.26 -3.18 1.67 5.15 -1.26 -4.55 115.26 116.34 2k4w n ASN 133 Ca 0.00 -1.81 -0.21 0.00 -0.60 0.00 0.00 54.58 51.96 2k4w n ASN 133 Cb 0.40 -0.66 -0.04 0.00 -0.53 0.00 0.00 39.78 38.95 2k4w n ASN 133 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 2k4w n MET 134 N 1.31 1.02 0.01 1.20 2.81 -1.26 -4.50 117.12 117.72 2k4w n MET 134 Ca 0.00 -3.42 -0.01 0.00 -1.81 0.00 0.00 57.70 52.46 2k4w n MET 134 Cb 0.36 -1.58 0.28 0.00 -0.71 0.00 0.00 33.22 31.57 2k4w n MET 134 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 2k4w h SER 135 N 3.35 0.47 -0.60 7.83 0.02 -1.85 0.62 113.55 123.38 2k4w h SER 135 Ca 0.09 -0.10 -0.72 0.00 -0.84 0.00 0.00 61.79 60.22 2k4w h SER 135 Cb 0.91 -0.12 -0.08 0.00 0.14 0.00 0.00 62.40 63.25 2k4w h SER 135 CO 0.51 0.58 2.79 -0.67 -1.14 0.00 0.00 176.83 178.90 2k4w n ASP 136 N -4.25 5.51 -3.54 3.07 2.03 -1.26 -4.53 116.55 113.58 2k4w n ASP 136 Ca 0.01 -2.93 -0.14 0.00 0.52 0.00 0.00 54.79 52.25 2k4w n ASP 136 Cb 0.28 -1.55 -0.05 0.00 -0.72 0.00 0.00 41.12 39.08 2k4w n ASP 136 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2k4w s GLN 137 N 1.58 1.08 0.50 -0.67 -0.21 -1.26 -5.03 119.66 115.65 2k4w s GLN 137 Ca 0.49 -0.19 0.28 0.00 0.02 0.00 0.00 55.36 55.96 2k4w s GLN 137 Cb 0.14 0.50 1.28 0.00 1.00 0.00 0.00 33.01 35.92 2k4w s GLN 137 CO -0.05 -0.40 1.97 -1.00 -2.12 0.00 0.00 175.29 173.69 2k4w h PRO 138 N 2.69 0.00 -3.81 2.91 0.13 -1.99 -2.71 132.00 129.22 2k4w h PRO 138 Ca -0.31 0.00 -0.78 0.00 -0.87 0.00 0.00 66.00 64.04 2k4w h PRO 138 Cb 1.22 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.08 2k4w h PRO 138 CO 0.40 0.13 0.06 0.15 -0.23 0.00 0.00 178.00 178.51 2k4w s LYS 139 N -3.86 3.52 1.01 0.86 1.02 -1.26 -5.10 119.74 115.93 2k4w s LYS 139 Ca -0.01 -2.46 -0.12 0.00 0.02 0.00 0.00 55.97 53.40 2k4w s LYS 139 Cb 0.11 -4.37 0.20 0.00 -0.52 0.00 0.00 37.83 33.24 2k4w s LYS 139 CO 0.59 -1.28 1.09 -1.25 -0.92 0.00 0.00 175.35 173.57 2k4w s PRO 140 N 0.16 0.32 -0.69 -1.68 0.04 -1.02 -2.22 135.00 129.90 2k4w s PRO 140 Ca 0.18 0.56 0.00 0.00 0.04 0.00 0.00 61.00 61.77 2k4w s PRO 140 Cb -0.11 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.71 2k4w s PRO 140 CO -0.08 -2.82 0.00 1.28 0.04 0.00 0.00 177.00 175.42 2k4w n LEU 141 N -4.24 -0.31 0.00 -3.56 4.77 0.11 -1.94 117.00 111.83 2k4w n LEU 141 Ca 0.05 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 2k4w n LEU 141 Cb 0.57 -1.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.09 2k4w n LEU 141 CO 0.57 -0.51 0.00 0.61 -1.33 0.00 0.00 177.39 176.73 2k4w n GLY 142 N -1.53 0.30 0.00 -0.72 0.00 -0.62 -1.11 105.19 101.51 2k4w n GLY 142 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.46 0.49 1.81 -0.02 0.00 -0.82 -5.02 105.19 100.18 2k4w n GLY 143 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.82 2.10 0.18 -0.02 0.00 -0.27 -4.56 105.19 100.80 2k4w n GLY 144 Ca 0.00 -0.29 0.14 0.00 0.00 0.00 0.00 46.02 45.86 2k4w n GLY 144 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2k4w h GLY 145 N 3.97 0.00 -2.63 -0.02 0.00 -1.84 -3.43 103.07 99.11 2k4w h GLY 145 Ca 0.05 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.90 2k4w h GLY 145 CO 0.10 0.00 0.39 -0.51 0.00 0.00 0.00 176.54 176.52 2k4w s THR 146 N -3.39 3.89 -0.10 4.70 -4.23 -1.26 -4.97 115.64 110.28 2k4w s THR 146 Ca 0.04 1.39 -0.03 0.00 -1.18 0.00 0.00 61.69 61.91 2k4w s THR 146 Cb 0.09 -3.69 -0.03 0.00 1.34 0.00 0.00 72.50 70.20 2k4w s THR 146 CO 0.50 -0.04 0.04 -0.13 -0.54 0.00 0.00 174.62 174.44 2k4w s ARG 147 N -2.60 3.17 -0.04 3.99 3.00 -1.26 -0.67 118.95 124.55 2k4w s ARG 147 Ca 0.58 -0.34 0.14 0.00 0.00 0.00 0.00 55.73 56.11 2k4w s ARG 147 Cb -0.19 -2.91 -0.21 0.00 0.00 0.00 0.00 34.95 31.63 2k4w s ARG 147 CO 0.24 0.68 0.63 0.98 0.00 0.00 0.00 175.30 177.82 2k4w n TYR 148 N 2.24 0.86 -3.76 -0.53 9.36 0.26 -4.54 117.16 121.05 2k4w n TYR 148 Ca -0.19 0.30 -0.10 0.00 3.32 0.00 0.00 57.90 61.24 2k4w n TYR 148 Cb 0.54 -1.13 -0.06 0.00 -0.63 0.00 0.00 39.34 38.06 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 -2.68 -0.52 0.01 2.98 0.00 -0.94 -0.76 121.76 119.85 2k4w s ALA 149 Ca -0.05 -0.36 -0.01 0.00 0.00 0.00 0.00 51.96 51.54 2k4w s ALA 149 Cb 0.08 0.56 -0.01 0.00 0.00 0.00 0.00 23.12 23.75 2k4w s ALA 149 CO 0.82 -0.55 0.01 0.00 0.00 0.00 0.00 175.76 176.04 2k4w s GLY 151 N -0.96 0.31 0.20 0.00 0.00 0.11 -1.25 107.32 105.73 2k4w s GLY 151 Ca -0.11 -0.84 -0.30 0.00 0.00 0.00 0.00 44.72 43.47 2k4w s GLY 151 CO -0.00 2.22 1.19 0.54 0.00 0.00 0.00 173.10 177.04 2k4w s VAL 152 N 2.17 3.53 0.24 1.40 0.11 -1.26 -1.07 120.40 125.53 2k4w s VAL 152 Ca 0.09 1.32 -0.10 0.00 -2.93 0.00 0.00 61.98 60.37 2k4w s VAL 152 Cb -0.15 -3.85 -0.07 0.00 -1.53 0.00 0.00 36.38 30.78 2k4w s VAL 152 CO -0.35 0.23 0.56 -0.63 -3.33 0.00 0.00 175.10 171.59 2k4w s ILE 153 N -0.24 4.92 0.00 7.04 1.01 -0.35 -4.86 121.20 128.73 2k4w s ILE 153 Ca 0.52 0.47 0.00 0.00 0.00 0.00 0.00 60.65 61.64 2k4w s ILE 153 Cb -0.33 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.52 2k4w s ILE 153 CO 0.38 -0.11 0.27 0.29 0.00 0.00 0.00 174.94 175.77