#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 1.28 -0.00 0.00 0.01 -1.26 -0.03 113.70 113.70 2k4w s SER 2 Ca 0.00 -0.20 -0.07 0.00 1.31 0.00 0.00 55.95 56.99 2k4w s SER 2 Cb 0.00 -0.37 0.00 0.00 0.21 0.00 0.00 66.02 65.86 2k4w s SER 2 CO 0.00 0.06 0.14 -0.70 0.41 0.00 0.00 173.24 173.15 2k4w s GLU 3 N 0.24 0.45 -0.32 12.44 2.56 -0.08 -5.03 118.70 128.96 2k4w s GLU 3 Ca -0.04 -0.33 0.01 0.00 0.00 0.00 0.00 54.97 54.61 2k4w s GLU 3 Cb -0.09 0.19 0.10 0.00 2.00 0.00 0.00 34.13 36.33 2k4w s GLU 3 CO 0.01 -0.10 0.08 -1.59 -0.56 0.00 0.00 175.26 173.09 2k4w s LYS 4 N -1.22 1.06 -0.22 4.30 -2.85 -1.26 -0.14 119.74 119.41 2k4w s LYS 4 Ca -0.13 -1.44 -0.20 0.00 -1.00 0.00 0.00 55.97 53.20 2k4w s LYS 4 Cb -0.07 -2.54 -0.03 0.00 -2.06 0.00 0.00 37.83 33.13 2k4w s LYS 4 CO 0.01 -0.97 0.59 0.08 0.10 0.00 0.00 175.35 175.17 2k4w s VAL 5 N 1.28 5.04 -0.59 1.79 1.01 -0.14 -4.89 120.40 123.90 2k4w s VAL 5 Ca 0.10 1.08 -0.28 0.00 0.00 0.00 0.00 61.98 62.88 2k4w s VAL 5 Cb -0.18 -3.90 0.02 0.00 0.00 0.00 0.00 36.38 32.32 2k4w s VAL 5 CO -0.17 0.10 1.31 -0.83 0.00 0.00 0.00 175.10 175.51 2k4w s GLY 6 N 1.31 0.97 -0.97 4.51 0.00 -1.26 -0.66 107.32 111.22 2k4w s GLY 6 Ca 0.26 -0.83 -0.20 0.00 0.00 0.00 0.00 44.72 43.95 2k4w s GLY 6 CO 0.09 2.67 1.23 1.06 0.00 0.00 0.00 173.10 178.16 2k4w s MET 7 N 5.35 3.62 0.45 2.90 -1.94 -0.87 -4.52 119.30 124.28 2k4w s MET 7 Ca 0.46 -1.63 -0.22 0.00 -1.71 0.00 0.00 55.69 52.59 2k4w s MET 7 Cb -0.09 -5.05 -0.09 0.00 2.01 0.00 0.00 34.83 31.61 2k4w s MET 7 CO 0.24 -1.89 1.04 1.21 -0.01 0.00 0.00 175.02 175.60 2k4w s ASN 8 N 3.96 6.55 0.35 3.03 3.84 -0.54 -4.40 114.94 127.73 2k4w s ASN 8 Ca 0.37 1.96 -0.28 0.00 0.21 0.00 0.00 52.86 55.12 2k4w s ASN 8 Cb -0.03 -2.57 -0.10 0.00 -0.55 0.00 0.00 41.25 38.00 2k4w s ASN 8 CO -0.09 -0.64 1.32 -0.76 -2.79 0.00 0.00 177.10 174.14 2k4w s LEU 9 N -3.12 4.36 -0.01 3.21 1.43 -1.24 -1.29 118.68 122.02 2k4w s LEU 9 Ca 0.63 2.71 0.02 0.00 -1.03 0.00 0.00 54.13 56.46 2k4w s LEU 9 Cb -0.18 -3.72 -0.00 0.00 0.03 0.00 0.00 46.19 42.32 2k4w s LEU 9 CO 0.23 -0.64 -0.07 0.68 0.23 0.00 0.00 176.35 176.78 2k4w s VAL 10 N -1.17 0.54 -0.38 -1.59 -7.23 -0.35 -0.87 120.40 109.35 2k4w s VAL 10 Ca 0.51 -0.27 0.00 0.00 -1.81 0.00 0.00 61.98 60.41 2k4w s VAL 10 Cb -0.40 -0.47 0.27 0.00 0.56 0.00 0.00 36.38 36.34 2k4w s VAL 10 CO 0.53 0.16 1.14 1.07 -0.31 0.00 0.00 175.10 177.69 2k4w n THR 11 N 3.04 0.00 0.00 5.32 5.66 -1.22 -4.44 114.28 122.64 2k4w n THR 11 Ca -0.15 -0.91 0.00 0.00 -3.05 0.00 0.00 64.05 59.95 2k4w n THR 11 Cb 0.57 1.20 0.00 0.00 -1.55 0.00 0.00 70.33 70.55 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 1.51 0.00 0.67 1.79 0.00 -1.26 -4.52 120.51 118.70 2k4w n ALA 12 Ca 0.03 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.56 2k4w n ALA 12 Cb 0.69 0.00 0.40 0.00 0.00 0.00 0.00 19.45 20.54 2k4w n ALA 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2k4w n GLN 13 N 0.00 0.05 0.00 0.00 3.00 -1.26 -4.84 117.38 114.33 2k4w n GLN 13 Ca 0.00 0.18 0.00 0.00 -0.01 0.00 0.00 57.00 57.17 2k4w n GLN 13 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.74 2k4w n GLN 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2k4w n GLY 14 N 0.35 0.23 3.69 1.08 0.00 -1.26 -4.96 105.19 104.32 2k4w n GLY 14 Ca 0.05 -1.79 -0.43 0.00 0.00 0.00 0.00 46.02 43.85 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 0.22 0.00 1.61 0.31 -1.26 -3.37 118.33 115.84 2k4w n VAL 15 Ca 0.00 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 2k4w n VAL 15 Cb 0.00 -1.99 0.00 0.00 -0.91 0.00 0.00 33.84 30.94 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 4.05 0.40 3.16 2.92 0.00 -0.05 -5.01 105.19 110.66 2k4w n GLY 16 Ca 0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 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 0.77 0.29 0.23 1.61 1.03 -1.26 -4.95 119.66 117.38 2k4w s GLN 17 Ca 0.00 0.72 -0.10 0.00 0.04 0.00 0.00 55.36 56.02 2k4w s GLN 17 Cb 0.00 -0.03 -0.07 0.00 0.03 0.00 0.00 33.01 32.94 2k4w s GLN 17 CO 0.00 -0.18 0.54 0.45 -2.54 0.00 0.00 175.29 173.56 2k4w s SER 18 N 1.58 6.62 0.00 12.60 0.15 -1.26 -3.69 113.70 129.70 2k4w s SER 18 Ca -0.08 0.91 0.00 0.00 0.70 0.00 0.00 55.95 57.49 2k4w s SER 18 Cb -0.10 -2.22 0.00 0.00 -1.71 0.00 0.00 66.02 61.99 2k4w s SER 18 CO -0.11 -0.07 0.00 2.30 1.20 0.00 0.00 173.24 176.56 2k4w n ILE 19 N -0.12 0.00 -3.64 6.45 -6.64 -1.26 -5.00 119.36 109.15 2k4w n ILE 19 Ca 0.00 0.00 -0.02 0.00 -1.77 0.00 0.00 62.75 60.96 2k4w n ILE 19 Cb 0.52 1.17 -0.03 0.00 -1.44 0.00 0.00 39.64 39.86 2k4w n ILE 19 CO 0.00 0.00 0.00 -0.83 -1.77 0.00 0.00 176.55 173.95 2k4w s GLY 20 N 0.00 -0.03 0.51 3.28 0.00 -1.26 -3.91 107.32 105.91 2k4w s GLY 20 Ca 0.00 2.45 0.07 0.00 0.00 0.00 0.00 44.72 47.24 2k4w s GLY 20 CO 0.00 0.92 0.47 -0.51 0.00 0.00 0.00 173.10 173.98 2k4w s THR 21 N -1.43 2.02 -0.05 0.90 -4.23 -1.26 -2.05 115.64 109.54 2k4w s THR 21 Ca 0.09 -1.36 0.04 0.00 -1.18 0.00 0.00 61.69 59.28 2k4w s THR 21 Cb -0.01 -2.38 0.00 0.00 1.34 0.00 0.00 72.50 71.45 2k4w s THR 21 CO -0.06 0.00 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.18 2k4w s VAL 22 N -2.67 1.32 -0.07 2.29 1.01 0.17 -3.18 120.40 119.27 2k4w s VAL 22 Ca 0.43 -0.64 -0.21 0.00 0.00 0.00 0.00 61.98 61.56 2k4w s VAL 22 Cb -0.03 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 2k4w s VAL 22 CO 0.26 0.39 0.62 0.54 0.00 0.00 0.00 175.10 176.91 2k4w s VAL 23 N 0.20 5.06 -0.22 2.92 0.11 -0.65 -0.96 120.40 126.85 2k4w s VAL 23 Ca -0.07 1.27 0.02 0.00 -2.93 0.00 0.00 61.98 60.27 2k4w s VAL 23 Cb -0.12 -3.96 0.04 0.00 -1.53 0.00 0.00 36.38 30.81 2k4w s VAL 23 CO 0.03 0.31 -0.15 -0.63 -3.33 0.00 0.00 175.10 171.32 2k4w s ILE 24 N 0.55 2.09 -0.29 7.04 1.01 0.80 -0.69 121.20 131.71 2k4w s ILE 24 Ca 0.33 -1.30 0.03 0.00 0.00 0.00 0.00 60.65 59.71 2k4w s ILE 24 Cb -0.17 -2.07 0.08 0.00 0.01 0.00 0.00 42.46 40.31 2k4w s ILE 24 CO 0.16 0.23 -0.04 -0.62 0.00 0.00 0.00 174.94 174.66 2k4w s ASP 25 N 1.20 4.57 0.24 3.58 2.15 -0.46 -0.90 116.67 127.06 2k4w s ASP 25 Ca -0.03 -1.71 -0.31 0.00 0.43 0.00 0.00 52.55 50.94 2k4w s ASP 25 Cb -0.17 -1.58 -0.13 0.00 -0.30 0.00 0.00 42.92 40.75 2k4w s ASP 25 CO -0.09 -0.27 1.53 1.21 -0.17 0.00 0.00 175.17 177.38 2k4w n GLU 26 N 4.36 2.36 -1.74 4.34 0.00 0.96 -0.79 120.64 130.14 2k4w n GLU 26 Ca -0.07 0.84 -0.01 0.00 0.00 0.00 0.00 57.16 57.92 2k4w n GLU 26 Cb 0.42 -2.58 0.01 0.00 0.00 0.00 0.00 31.44 29.29 2k4w n GLU 26 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 2k4w n THR 27 N 2.40 0.00 -0.30 6.31 5.66 -0.35 -0.07 114.28 127.93 2k4w n THR 27 Ca 0.12 -0.16 0.10 0.00 -3.05 0.00 0.00 64.05 61.05 2k4w n THR 27 Cb 0.33 0.18 0.32 0.00 -1.55 0.00 0.00 70.33 69.61 2k4w n THR 27 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 2k4w h GLU 28 N 0.00 0.80 -0.28 1.09 4.81 -1.97 0.95 114.58 119.98 2k4w h GLU 28 Ca -0.06 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 2k4w h GLU 28 Cb 0.25 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.45 2k4w h GLU 28 CO 0.08 0.53 0.00 0.41 -0.73 0.00 0.00 179.01 179.30 2k4w n GLY 29 N -1.40 -0.15 7.00 1.92 0.00 -1.26 -4.99 105.19 106.32 2k4w n GLY 29 Ca 0.18 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 0.47 0.28 3.56 -0.02 0.00 0.32 -1.88 105.19 107.93 2k4w n GLY 30 Ca 0.02 -0.94 -0.41 0.00 0.00 0.00 0.00 46.02 44.70 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 3.29 -0.45 0.99 1.43 -1.00 -1.21 118.68 121.73 2k4w s LEU 31 Ca 0.00 -0.01 -0.29 0.00 -1.03 0.00 0.00 54.13 52.80 2k4w s LEU 31 Cb 0.00 -2.77 0.02 0.00 0.03 0.00 0.00 46.19 43.47 2k4w s LEU 31 CO 0.00 -1.86 1.27 -0.75 0.23 0.00 0.00 176.35 175.24 2k4w s LYS 32 N 5.84 3.64 -0.47 1.70 2.20 0.03 -1.26 119.74 131.43 2k4w s LYS 32 Ca 0.47 0.74 -0.15 0.00 -0.36 0.00 0.00 55.97 56.66 2k4w s LYS 32 Cb -0.10 -3.97 0.07 0.00 -1.51 0.00 0.00 37.83 32.32 2k4w s LYS 32 CO 0.20 -1.48 0.39 0.12 -0.36 0.00 0.00 175.35 174.22 2k4w s PHE 33 N 4.95 3.24 -0.34 4.03 5.36 0.71 -1.36 117.98 134.57 2k4w s PHE 33 Ca 0.54 -0.88 -0.05 0.00 -0.96 0.00 0.00 56.93 55.58 2k4w s PHE 33 Cb -0.10 -3.11 0.05 0.00 -0.34 0.00 0.00 43.02 39.52 2k4w s PHE 33 CO 0.32 -0.77 0.10 0.99 -1.46 0.00 0.00 175.22 174.40 2k4w s THR 34 N 1.65 3.61 0.56 0.12 2.01 0.13 -1.66 115.64 122.06 2k4w s THR 34 Ca 0.04 -1.26 -0.14 0.00 0.31 0.00 0.00 61.69 60.65 2k4w s THR 34 Cb -0.24 -3.09 -0.06 0.00 0.01 0.00 0.00 72.50 69.13 2k4w s THR 34 CO 0.07 -0.22 0.99 -2.16 -0.69 0.00 0.00 174.62 172.62 2k4w s PRO 35 N 1.36 3.77 -0.19 4.92 0.04 -1.26 -1.64 135.00 142.00 2k4w s PRO 35 Ca -0.02 0.82 0.22 0.00 0.04 0.00 0.00 61.00 62.07 2k4w s PRO 35 Cb -0.20 -2.13 0.46 0.00 0.04 0.00 0.00 34.50 32.67 2k4w s PRO 35 CO 0.01 -0.39 1.16 -2.39 0.04 0.00 0.00 177.00 175.43 2k4w n HIS 36 N -2.11 0.56 -3.13 0.56 1.44 -1.19 -4.42 115.22 106.93 2k4w n HIS 36 Ca 0.06 -1.62 -0.26 0.00 -2.01 0.00 0.00 57.72 53.89 2k4w n HIS 36 Cb 0.54 -0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.63 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 -2.73 3.90 0.07 2.39 1.02 -1.09 -4.64 118.68 117.60 2k4w s LEU 37 Ca 0.26 0.67 -0.05 0.00 0.02 0.00 0.00 54.13 55.03 2k4w s LEU 37 Cb 0.34 -3.56 -0.02 0.00 0.02 0.00 0.00 46.19 42.97 2k4w s LEU 37 CO -0.08 -0.36 0.10 -1.59 0.02 0.00 0.00 176.35 174.43 2k4w s LYS 38 N -4.27 0.73 0.00 1.70 0.00 -1.25 -0.49 119.74 116.15 2k4w s LYS 38 Ca 0.43 -1.03 0.00 0.00 0.00 0.00 0.00 55.97 55.38 2k4w s LYS 38 Cb -0.10 0.28 0.00 0.00 0.00 0.00 0.00 37.83 38.01 2k4w s LYS 38 CO 0.37 -0.19 0.00 0.00 0.00 0.00 0.00 175.35 175.53 2k4w n ALA 39 N 0.11 0.00 -2.47 0.59 0.00 -0.15 -4.80 120.51 113.79 2k4w n ALA 39 Ca -0.15 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.05 2k4w n ALA 39 Cb 0.61 -0.36 -0.00 0.00 0.00 0.00 0.00 19.45 19.70 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 3.81 0.28 0.00 1.43 -0.99 -5.07 118.68 118.14 2k4w s LEU 40 Ca 0.00 0.45 -0.30 0.00 -1.03 0.00 0.00 54.13 53.26 2k4w s LEU 40 Cb 0.00 -3.34 -0.11 0.00 0.03 0.00 0.00 46.19 42.78 2k4w s LEU 40 CO 0.00 -0.50 1.52 -2.16 0.23 0.00 0.00 176.35 175.45 2k4w s PRO 41 N -4.47 4.18 -0.21 1.29 0.04 -1.26 -4.20 135.00 130.37 2k4w s PRO 41 Ca 0.44 2.46 0.06 0.00 0.04 0.00 0.00 61.00 64.00 2k4w s PRO 41 Cb -0.10 -3.06 0.48 0.00 0.04 0.00 0.00 34.50 31.87 2k4w s PRO 41 CO 0.38 -0.53 1.41 -0.35 0.04 0.00 0.00 177.00 177.95 2k4w n PRO 42 N 2.16 2.81 -4.15 0.56 -0.04 -1.26 -4.77 135.00 130.31 2k4w n PRO 42 Ca 0.07 -1.97 -0.24 0.00 -0.04 0.00 0.00 63.50 61.33 2k4w n PRO 42 Cb 0.39 -1.89 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 2k4w n PRO 42 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2k4w s GLY 43 N -0.48 1.56 0.13 0.55 0.00 -1.26 -4.14 107.32 103.69 2k4w s GLY 43 Ca 0.35 -1.40 -0.35 0.00 0.00 0.00 0.00 44.72 43.32 2k4w s GLY 43 CO 0.09 -1.44 1.41 -1.84 0.00 0.00 0.00 173.10 171.32 2k4w n GLU 44 N -0.80 1.56 -4.13 2.90 0.00 -1.26 -4.56 120.64 114.35 2k4w n GLU 44 Ca -0.08 0.56 -0.36 0.00 0.00 0.00 0.00 57.16 57.29 2k4w n GLU 44 Cb 0.57 -2.23 -0.08 0.00 0.00 0.00 0.00 31.44 29.69 2k4w n GLU 44 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 2k4w s HIS 45 N 0.50 3.34 0.57 -1.84 3.76 -0.40 -2.11 115.29 119.11 2k4w s HIS 45 Ca 0.80 0.30 -0.19 0.00 -0.15 0.00 0.00 55.06 55.82 2k4w s HIS 45 Cb -0.82 -1.89 -0.05 0.00 1.11 0.00 0.00 32.58 30.93 2k4w s HIS 45 CO 0.45 0.52 1.15 0.20 -0.85 0.00 0.00 174.74 176.20 2k4w s GLY 46 N -0.74 2.60 -0.14 -2.22 0.00 0.08 0.09 107.32 107.00 2k4w s GLY 46 Ca 0.12 0.83 0.00 0.00 0.00 0.00 0.00 44.72 45.68 2k4w s GLY 46 CO 0.03 1.20 -0.12 -0.12 0.00 0.00 0.00 173.10 174.08 2k4w s PHE 47 N -1.80 1.98 0.17 1.90 5.36 -1.25 -0.96 117.98 123.37 2k4w s PHE 47 Ca 0.73 -1.09 0.09 0.00 -0.96 0.00 0.00 56.93 55.70 2k4w s PHE 47 Cb -0.25 -1.49 -0.04 0.00 -0.34 0.00 0.00 43.02 40.89 2k4w s PHE 47 CO 0.30 -0.63 -0.12 -1.01 -1.46 0.00 0.00 175.22 172.30 2k4w s HIS 48 N 1.55 2.59 0.06 10.12 3.76 -0.97 -1.07 115.29 131.33 2k4w s HIS 48 Ca 0.05 -0.24 -0.09 0.00 -0.15 0.00 0.00 55.06 54.62 2k4w s HIS 48 Cb -0.13 -1.28 -0.06 0.00 1.11 0.00 0.00 32.58 32.22 2k4w s HIS 48 CO -0.10 0.49 0.38 0.42 -0.85 0.00 0.00 174.74 175.08 2k4w s ILE 49 N -1.61 5.13 0.23 0.60 1.01 -0.96 -1.31 121.20 124.29 2k4w s ILE 49 Ca 0.23 0.42 0.11 0.00 0.00 0.00 0.00 60.65 61.41 2k4w s ILE 49 Cb -0.09 -3.63 -0.05 0.00 0.01 0.00 0.00 42.46 38.70 2k4w s ILE 49 CO 0.14 0.32 -0.19 -1.00 0.00 0.00 0.00 174.94 174.21 2k4w s HIS 50 N -1.36 2.37 -0.12 3.97 3.76 -0.46 -3.30 115.29 120.14 2k4w s HIS 50 Ca 0.32 -0.32 0.30 0.00 -0.15 0.00 0.00 55.06 55.20 2k4w s HIS 50 Cb -0.14 -1.11 1.20 0.00 1.11 0.00 0.00 32.58 33.65 2k4w s HIS 50 CO 0.17 0.59 1.88 0.00 -0.85 0.00 0.00 174.74 176.54 2k4w h ALA 51 N 2.71 1.00 -4.84 -1.40 0.00 -1.06 -3.34 119.26 112.33 2k4w h ALA 51 Ca -0.44 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 53.97 2k4w h ALA 51 Cb 1.23 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.90 2k4w h ALA 51 CO 0.54 0.00 -0.45 0.09 0.00 0.00 0.00 179.25 179.44 2k4w n ASN 52 N -2.79 0.39 -3.83 0.00 3.02 0.46 -4.91 115.26 107.59 2k4w n ASN 52 Ca 0.01 -3.09 -0.30 0.00 -0.03 0.00 0.00 54.58 51.17 2k4w n ASN 52 Cb 0.29 1.26 -0.15 0.00 -0.61 0.00 0.00 39.78 40.56 2k4w n ASN 52 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2k4w s GLY 53 N -3.33 1.36 0.00 7.41 0.00 -0.82 -1.03 107.32 110.92 2k4w s GLY 53 Ca 0.28 -1.93 0.00 0.00 0.00 0.00 0.00 44.72 43.07 2k4w s GLY 53 CO 0.20 1.36 0.00 -1.26 0.00 0.00 0.00 173.10 173.40 2k4w n SER 54 N 4.65 0.00 -1.89 1.64 2.88 -1.26 -4.84 113.62 114.80 2k4w n SER 54 Ca -0.01 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.51 2k4w n SER 54 Cb 0.42 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.85 2k4w n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k4w s GLN 56 N 1.20 3.76 0.70 0.00 -1.52 -1.26 -4.13 119.66 118.41 2k4w s GLN 56 Ca 0.13 -0.46 -0.11 0.00 -1.95 0.00 0.00 55.36 52.97 2k4w s GLN 56 Cb 0.06 -3.08 0.01 0.00 -0.22 0.00 0.00 33.01 29.78 2k4w s GLN 56 CO 0.00 0.17 1.07 -1.25 -0.25 0.00 0.00 175.29 175.03 2k4w s PRO 57 N 0.61 2.92 0.04 2.91 0.04 -1.26 -0.65 135.00 139.60 2k4w s PRO 57 Ca 0.00 0.69 0.05 0.00 0.04 0.00 0.00 61.00 61.78 2k4w s PRO 57 Cb -0.14 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.36 2k4w s PRO 57 CO 0.02 -1.05 -0.11 0.00 0.04 0.00 0.00 177.00 175.90 2k4w s ALA 58 N -3.20 2.86 -0.27 8.56 0.00 -1.26 -4.72 121.76 123.73 2k4w s ALA 58 Ca 0.58 -1.13 0.12 0.00 0.00 0.00 0.00 51.96 51.54 2k4w s ALA 58 Cb -0.12 -0.95 0.75 0.00 0.00 0.00 0.00 23.12 22.80 2k4w s ALA 58 CO 0.54 0.61 1.73 -0.89 0.00 0.00 0.00 175.76 177.74 2k4w n ILE 59 N 1.37 2.79 -1.64 0.00 2.08 -1.26 -0.37 119.36 122.33 2k4w n ILE 59 Ca -0.15 -1.62 -0.49 0.00 0.56 0.00 0.00 62.75 61.05 2k4w n ILE 59 Cb 0.52 -0.31 -0.05 0.00 -0.75 0.00 0.00 39.64 39.05 2k4w n ILE 59 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 2k4w n LYS 60 N 0.07 1.70 -1.84 0.38 4.81 -1.21 -1.76 118.16 120.31 2k4w n LYS 60 Ca 0.33 0.61 -0.11 0.00 -0.87 0.00 0.00 58.31 58.28 2k4w n LYS 60 Cb 1.24 -2.33 -0.02 0.00 0.02 0.00 0.00 35.03 33.94 2k4w n LYS 60 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2k4w n ASP 61 N 3.18 -3.84 0.00 3.14 2.03 -1.26 -3.76 116.55 116.05 2k4w n ASP 61 Ca 0.18 0.10 0.00 0.00 0.52 0.00 0.00 54.79 55.59 2k4w n ASP 61 Cb 0.24 -2.75 0.00 0.00 -0.72 0.00 0.00 41.12 37.89 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 -1.28 0.49 3.56 0.27 0.00 -0.73 -5.04 105.19 102.47 2k4w n GLY 62 Ca -0.12 -0.85 -0.09 0.00 0.00 0.00 0.00 46.02 44.95 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 -3.38 0.68 -0.62 1.61 -2.07 -0.99 -5.12 119.66 109.76 2k4w s GLN 63 Ca 0.00 1.08 -0.28 0.00 -1.82 0.00 0.00 55.36 54.34 2k4w s GLN 63 Cb 0.00 0.17 0.02 0.00 -1.09 0.00 0.00 33.01 32.12 2k4w s GLN 63 CO 0.00 -0.14 1.29 0.00 -1.32 0.00 0.00 175.29 175.12 2k4w s ALA 64 N 1.28 2.86 0.00 2.60 0.00 -1.26 -3.36 121.76 123.88 2k4w s ALA 64 Ca -0.07 -0.93 -0.01 0.00 0.00 0.00 0.00 51.96 50.95 2k4w s ALA 64 Cb -0.05 -4.12 -0.03 0.00 0.00 0.00 0.00 23.12 18.91 2k4w s ALA 64 CO -0.14 -2.94 1.96 0.28 0.00 0.00 0.00 175.76 174.93 2k4w n VAL 65 N 6.65 1.88 0.00 0.00 0.31 0.50 -4.87 118.33 122.80 2k4w n VAL 65 Ca 0.08 -0.56 0.00 0.00 -0.01 0.00 0.00 64.34 63.85 2k4w n VAL 65 Cb 0.49 -1.51 0.00 0.00 -0.91 0.00 0.00 33.84 31.91 2k4w n VAL 65 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2k4w n ALA 66 N 1.69 0.00 -3.62 3.52 0.00 -1.26 -4.43 120.51 116.41 2k4w n ALA 66 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.46 2k4w n ALA 66 Cb 0.49 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.88 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 0.00 -2.18 -0.05 0.00 0.00 -1.26 -4.25 121.76 114.02 2k4w s ALA 67 Ca 0.00 2.27 -0.02 0.00 0.00 0.00 0.00 51.96 54.22 2k4w s ALA 67 Cb 0.00 -1.66 -0.02 0.00 0.00 0.00 0.00 23.12 21.44 2k4w s ALA 67 CO 0.00 -0.46 -0.06 -1.91 0.00 0.00 0.00 175.76 173.34 2k4w n GLU 68 N 4.15 0.11 0.25 0.00 2.13 0.18 -4.76 120.64 122.70 2k4w n GLU 68 Ca -0.18 0.04 0.17 0.00 0.66 0.00 0.00 57.16 57.85 2k4w n GLU 68 Cb 0.57 -0.81 0.71 0.00 0.27 0.00 0.00 31.44 32.18 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 -0.12 1.00 0.00 4.31 0.00 -1.65 -0.10 119.26 122.70 2k4w h ALA 69 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2k4w h ALA 69 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2k4w h ALA 69 CO -0.06 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.19 2k4w n ALA 70 N -2.01 2.00 0.00 0.00 0.00 -0.45 -4.03 120.51 116.02 2k4w n ALA 70 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2k4w n ALA 70 Cb 0.25 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.36 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 0.58 -1.43 0.00 0.00 0.00 -0.05 -0.40 105.19 103.88 2k4w n GLY 71 Ca 0.07 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.53 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 -1.60 -0.85 3.52 -0.02 0.00 -1.26 -4.52 105.19 100.45 2k4w n GLY 72 Ca 0.00 -1.62 -0.42 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.14 0.26 -0.79 1.61 8.25 -1.26 -2.36 115.22 120.79 2k4w n HIS 73 Ca 0.00 0.63 -0.24 0.00 -0.26 0.00 0.00 57.72 57.84 2k4w n HIS 73 Cb 0.00 -2.10 -0.02 0.00 1.12 0.00 0.00 29.99 28.99 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 1.06 4.90 -0.05 2.41 0.00 -1.21 -4.45 117.00 119.67 2k4w n LEU 74 Ca 0.11 -2.91 0.01 0.00 0.00 0.00 0.00 56.01 53.22 2k4w n LEU 74 Cb 0.38 -1.10 0.00 0.00 0.00 0.00 0.00 43.42 42.69 2k4w n LEU 74 CO 0.56 0.54 0.24 -0.90 0.00 0.00 0.00 177.39 177.83 2k4w n ASP 75 N 4.52 0.99 0.32 1.96 5.75 -1.26 -4.46 116.55 124.36 2k4w n ASP 75 Ca 0.45 -0.99 -0.16 0.00 -0.01 0.00 0.00 54.79 54.07 2k4w n ASP 75 Cb 0.16 0.12 -0.08 0.00 -1.03 0.00 0.00 41.12 40.28 2k4w n ASP 75 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 2k4w h PRO 76 N 0.24 -0.78 -2.25 0.11 0.13 -1.95 -3.14 132.00 124.36 2k4w h PRO 76 Ca 0.00 0.05 -0.66 0.00 -0.87 0.00 0.00 66.00 64.53 2k4w h PRO 76 Cb 0.05 0.18 -0.18 0.00 0.13 0.00 0.00 31.00 31.18 2k4w h PRO 76 CO 0.00 -0.48 1.28 1.04 -0.23 0.00 0.00 178.00 179.61 2k4w n GLN 77 N -5.39 3.62 0.00 0.86 1.13 -1.26 -4.49 117.38 111.85 2k4w n GLN 77 Ca -0.12 -3.17 0.00 0.00 -1.94 0.00 0.00 57.00 51.76 2k4w n GLN 77 Cb 0.35 -2.37 0.00 0.00 0.11 0.00 0.00 30.24 28.32 2k4w n GLN 77 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2k4w n ASN 78 N 0.90 0.00 0.00 1.08 5.03 -1.19 -5.08 115.26 116.00 2k4w n ASN 78 Ca 0.54 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.99 2k4w n ASN 78 Cb 0.37 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.13 2k4w n ASN 78 CO 0.00 0.00 0.00 1.07 -1.83 0.00 0.00 177.26 176.50 2k4w n THR 79 N -1.65 0.00 -0.43 3.41 5.66 -1.26 -4.90 114.28 115.11 2k4w n THR 79 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2k4w n THR 79 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 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 0.71 0.24 1.09 0.00 -0.95 -4.95 105.19 101.33 2k4w n GLY 80 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.01 1.31 -0.55 1.61 2.85 -1.16 -4.85 118.16 115.36 2k4w n LYS 81 Ca 0.00 -0.47 0.08 0.00 -1.05 0.00 0.00 58.31 56.87 2k4w n LYS 81 Cb 0.00 -1.35 -0.02 0.00 -0.65 0.00 0.00 35.03 33.01 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 -0.32 -2.57 -1.60 5.58 -0.00 -0.96 -4.80 115.22 110.55 2k4w n HIS 82 Ca 0.15 0.69 0.00 0.00 -0.00 0.00 0.00 57.72 58.56 2k4w n HIS 82 Cb 0.18 -1.12 0.00 0.00 -0.00 0.00 0.00 29.99 29.05 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 -2.69 0.00 0.00 1.57 0.28 -1.26 -1.59 120.64 116.95 2k4w n GLU 83 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2k4w n GLU 83 Cb 0.25 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.12 2k4w n GLU 83 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2k4w n GLY 84 N 0.00 1.36 0.15 -1.84 0.00 -1.26 -4.13 105.19 99.46 2k4w n GLY 84 Ca 0.00 -0.72 0.13 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.16 1.61 0.13 -1.96 -3.45 132.00 126.17 2k4w h PRO 85 Ca 0.00 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.21 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 0.47 -1.83 -0.23 0.00 0.00 178.00 176.41 2k4w s GLU 86 N -3.34 0.82 0.00 0.86 4.04 -1.26 -5.16 118.70 114.66 2k4w s GLU 86 Ca 0.04 -0.19 0.00 0.00 0.04 0.00 0.00 54.97 54.87 2k4w s GLU 86 Cb 0.09 0.38 0.00 0.00 0.02 0.00 0.00 34.13 34.62 2k4w s GLU 86 CO 0.43 -0.33 0.00 0.41 -1.84 0.00 0.00 175.26 173.93 2k4w n GLY 87 N 0.02 0.45 2.00 -3.83 0.00 -1.26 -4.40 105.19 98.17 2k4w n GLY 87 Ca -0.10 -2.12 -0.03 0.00 0.00 0.00 0.00 46.02 43.77 2k4w n GLY 87 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2k4w n GLN 88 N 0.02 0.81 -0.14 1.61 -0.06 -1.26 -4.69 117.38 113.68 2k4w n GLN 88 Ca 0.00 -1.45 0.11 0.00 -2.00 0.00 0.00 57.00 53.66 2k4w n GLN 88 Cb 0.00 0.20 0.26 0.00 -4.06 0.00 0.00 30.24 26.63 2k4w n GLN 88 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2k4w n GLY 89 N -0.73 1.23 3.13 1.69 0.00 -0.62 -4.36 105.19 105.52 2k4w n GLY 89 Ca -0.17 -0.64 0.06 0.00 0.00 0.00 0.00 46.02 45.27 2k4w n GLY 89 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2k4w s HIS 90 N -1.62 -0.27 -0.49 1.61 5.65 -1.26 -2.25 115.29 116.67 2k4w s HIS 90 Ca 0.36 0.15 0.22 0.00 0.25 0.00 0.00 55.06 56.04 2k4w s HIS 90 Cb 0.21 0.05 0.96 0.00 -1.18 0.00 0.00 32.58 32.62 2k4w s HIS 90 CO 0.30 -0.16 1.67 1.47 -0.65 0.00 0.00 174.74 177.37 2k4w n LEU 91 N 4.99 0.58 -1.93 8.88 -0.00 -1.26 -3.75 117.00 124.51 2k4w n LEU 91 Ca 0.10 0.66 -0.08 0.00 -0.00 0.00 0.00 56.01 56.69 2k4w n LEU 91 Cb 0.59 -0.61 0.28 0.00 -0.00 0.00 0.00 43.42 43.67 2k4w n LEU 91 CO -0.18 -0.60 1.04 0.61 -0.00 0.00 0.00 177.39 178.27 2k4w n GLY 92 N -0.25 3.91 3.89 1.47 0.00 -1.26 -4.94 105.19 108.02 2k4w n GLY 92 Ca 0.02 -1.03 -0.30 0.00 0.00 0.00 0.00 46.02 44.70 2k4w n GLY 92 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k4w s ASP 93 N -1.23 6.51 0.10 1.61 1.01 -1.25 -2.27 116.67 121.15 2k4w s ASP 93 Ca 0.54 0.72 0.03 0.00 0.71 0.00 0.00 52.55 54.55 2k4w s ASP 93 Cb 0.44 -2.14 -0.04 0.00 1.01 0.00 0.00 42.92 42.19 2k4w s ASP 93 CO 0.12 -0.07 -0.08 -0.76 0.21 0.00 0.00 175.17 174.59 2k4w s LEU 94 N -3.02 2.46 0.85 1.23 1.02 -0.23 -4.98 118.68 116.00 2k4w s LEU 94 Ca 0.44 -0.92 -0.11 0.00 0.02 0.00 0.00 54.13 53.56 2k4w s LEU 94 Cb -0.11 -0.17 0.10 0.00 0.02 0.00 0.00 46.19 46.03 2k4w s LEU 94 CO 0.25 -0.37 1.09 -2.16 0.02 0.00 0.00 176.35 175.18 2k4w s PRO 95 N -3.35 1.64 -0.07 1.29 0.04 -1.26 -3.92 135.00 129.36 2k4w s PRO 95 Ca 0.09 1.05 -0.27 0.00 0.04 0.00 0.00 61.00 61.91 2k4w s PRO 95 Cb 0.01 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.69 2k4w s PRO 95 CO -0.02 -2.04 0.86 0.14 0.04 0.00 0.00 177.00 175.97 2k4w s VAL 96 N -2.88 4.92 -1.20 -0.36 -7.23 -1.26 -4.30 120.40 108.09 2k4w s VAL 96 Ca 0.63 1.76 -0.19 0.00 -1.81 0.00 0.00 61.98 62.36 2k4w s VAL 96 Cb -0.18 -4.18 0.07 0.00 0.56 0.00 0.00 36.38 32.65 2k4w s VAL 96 CO 0.57 0.14 1.61 -0.22 -0.31 0.00 0.00 175.10 176.89 2k4w s LEU 97 N 1.32 3.87 0.46 1.32 2.96 0.11 -4.83 118.68 123.89 2k4w s LEU 97 Ca 0.44 -2.19 -0.24 0.00 -0.22 0.00 0.00 54.13 51.91 2k4w s LEU 97 Cb -0.19 -2.56 -0.08 0.00 0.50 0.00 0.00 46.19 43.86 2k4w s LEU 97 CO 0.20 -1.23 1.29 0.52 -1.32 0.00 0.00 176.35 175.80 2k4w n VAL 98 N 6.38 2.86 -4.38 1.68 0.31 -1.26 -1.28 118.33 122.64 2k4w n VAL 98 Ca 0.43 -0.50 -0.22 0.00 -0.01 0.00 0.00 64.34 64.03 2k4w n VAL 98 Cb 0.47 -1.59 -0.11 0.00 -0.91 0.00 0.00 33.84 31.70 2k4w n VAL 98 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 2k4w s VAL 99 N -1.23 2.04 0.66 2.52 -7.23 -1.26 -4.47 120.40 111.42 2k4w s VAL 99 Ca 0.64 -2.12 -0.10 0.00 -1.81 0.00 0.00 61.98 58.59 2k4w s VAL 99 Cb -0.48 -2.04 -0.00 0.00 0.56 0.00 0.00 36.38 34.42 2k4w s VAL 99 CO 0.56 -0.37 1.03 0.54 -0.31 0.00 0.00 175.10 176.56 2k4w s ASN 100 N -3.01 5.70 0.62 4.85 6.03 -0.38 -4.66 114.94 124.08 2k4w s ASN 100 Ca 0.21 1.12 0.26 0.00 -1.03 0.00 0.00 52.86 53.43 2k4w s ASN 100 Cb -0.05 -2.04 1.43 0.00 -3.03 0.00 0.00 41.25 37.57 2k4w s ASN 100 CO 0.09 -1.15 1.80 -0.55 -2.03 0.00 0.00 177.10 175.26 2k4w h ASN 101 N -0.46 0.00 0.05 3.54 7.08 -1.91 0.24 115.58 124.13 2k4w h ASN 101 Ca -0.45 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.77 2k4w h ASN 101 Cb 1.24 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.48 2k4w h ASN 101 CO 0.63 0.00 -0.17 0.47 -2.08 0.00 0.00 177.43 176.28 2k4w n ASP 102 N -2.76 1.82 -0.02 6.14 8.00 -1.26 -4.73 116.55 123.74 2k4w n ASP 102 Ca -0.02 -1.45 0.00 0.00 0.71 0.00 0.00 54.79 54.03 2k4w n ASP 102 Cb 0.40 0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.64 2k4w n ASP 102 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k4w n GLY 103 N 1.31 1.37 3.35 0.44 0.00 0.07 -4.75 105.19 106.98 2k4w n GLY 103 Ca 0.14 -0.30 -0.32 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 -2.05 2.65 -0.35 -0.61 1.01 -1.25 -0.98 121.20 119.61 2k4w s ILE 104 Ca 0.00 -0.84 -0.07 0.00 0.00 0.00 0.00 60.65 59.75 2k4w s ILE 104 Cb 0.00 -2.04 0.05 0.00 0.01 0.00 0.00 42.46 40.47 2k4w s ILE 104 CO 0.00 0.56 0.13 0.00 0.00 0.00 0.00 174.94 175.63 2k4w s ALA 105 N -0.04 3.09 -0.07 9.38 0.00 0.35 -1.25 121.76 133.22 2k4w s ALA 105 Ca -0.05 -1.84 0.13 0.00 0.00 0.00 0.00 51.96 50.21 2k4w s ALA 105 Cb -0.14 -2.34 0.26 0.00 0.00 0.00 0.00 23.12 20.90 2k4w s ALA 105 CO 0.04 -1.40 1.12 -2.37 0.00 0.00 0.00 175.76 173.15 2k4w n THR 106 N 4.82 0.87 -3.30 0.00 5.66 -1.26 -2.66 114.28 118.41 2k4w n THR 106 Ca -0.12 -1.43 -0.43 0.00 -3.05 0.00 0.00 64.05 59.02 2k4w n THR 106 Cb 0.44 0.31 -0.08 0.00 -1.55 0.00 0.00 70.33 69.46 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 -1.30 3.08 0.07 1.09 0.41 -1.26 -4.91 118.70 115.87 2k4w s GLU 107 Ca 0.24 -0.87 -0.31 0.00 -0.41 0.00 0.00 54.97 53.62 2k4w s GLU 107 Cb 0.24 -4.01 -0.06 0.00 -1.78 0.00 0.00 34.13 28.52 2k4w s GLU 107 CO -0.05 -0.94 1.24 -1.25 -0.49 0.00 0.00 175.26 173.77 2k4w s PRO 108 N 2.15 4.41 0.30 0.39 0.04 -1.26 -4.45 135.00 136.57 2k4w s PRO 108 Ca 0.11 1.83 0.02 0.00 0.04 0.00 0.00 61.00 63.01 2k4w s PRO 108 Cb -0.18 -3.33 -0.05 0.00 0.04 0.00 0.00 34.50 30.98 2k4w s PRO 108 CO 0.12 -0.30 0.11 0.14 0.04 0.00 0.00 177.00 177.11 2k4w s VAL 109 N 1.10 0.60 -0.08 -0.36 -7.23 -0.67 -5.03 120.40 108.74 2k4w s VAL 109 Ca 0.60 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.61 2k4w s VAL 109 Cb -0.31 -2.59 0.03 0.00 0.56 0.00 0.00 36.38 34.07 2k4w s VAL 109 CO 0.29 0.00 0.38 -0.89 -0.31 0.00 0.00 175.10 174.58 2k4w s THR 110 N -3.58 0.03 -0.65 5.32 2.01 -1.26 -0.21 115.64 117.30 2k4w s THR 110 Ca 0.35 -0.22 -0.03 0.00 0.31 0.00 0.00 61.69 62.10 2k4w s THR 110 Cb 0.07 -0.63 0.17 0.00 0.01 0.00 0.00 72.50 72.11 2k4w s THR 110 CO 0.15 -0.12 0.46 0.00 -0.69 0.00 0.00 174.62 174.42 2k4w s ALA 111 N -0.64 3.63 -1.51 7.40 0.00 -0.39 -4.82 121.76 125.43 2k4w s ALA 111 Ca -0.07 -3.32 0.11 0.00 0.00 0.00 0.00 51.96 48.68 2k4w s ALA 111 Cb -0.04 -2.67 0.59 0.00 0.00 0.00 0.00 23.12 21.00 2k4w s ALA 111 CO 0.03 -2.12 1.25 -0.35 0.00 0.00 0.00 175.76 174.57 2k4w n PRO 112 N 3.38 0.19 0.23 0.00 -0.04 -0.79 -2.38 135.00 135.60 2k4w n PRO 112 Ca 0.09 0.15 0.15 0.00 -0.04 0.00 0.00 63.50 63.85 2k4w n PRO 112 Cb 0.38 -1.50 0.49 0.00 -0.04 0.00 0.00 33.50 32.83 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 -6.10 0.54 9.65 -1.92 -3.43 114.38 113.12 2k4w h ARG 113 Ca 0.00 0.00 -0.55 0.00 -1.10 0.00 0.00 59.98 58.33 2k4w h ARG 113 Cb 0.09 0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 28.59 2k4w h ARG 113 CO 0.00 0.00 -0.57 -0.51 2.80 0.00 0.00 179.97 181.69 2k4w s LEU 114 N -5.85 3.22 0.00 3.80 2.01 -1.03 -5.08 118.68 115.76 2k4w s LEU 114 Ca 0.04 -0.77 0.00 0.00 0.01 0.00 0.00 54.13 53.41 2k4w s LEU 114 Cb 0.08 -1.69 0.00 0.00 0.01 0.00 0.00 46.19 44.59 2k4w s LEU 114 CO 0.56 -0.23 0.09 1.17 1.01 0.00 0.00 176.35 178.95 2k4w n LYS 115 N -1.08 0.00 -3.64 1.70 3.00 -1.26 -4.08 118.16 112.79 2k4w n LYS 115 Ca -0.04 -0.09 -0.03 0.00 -0.00 0.00 0.00 58.31 58.16 2k4w n LYS 115 Cb 0.61 -0.14 -0.07 0.00 0.00 0.00 0.00 35.03 35.43 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 0.00 -0.52 0.57 3.14 0.15 -1.26 -4.90 113.70 110.88 2k4w s SER 116 Ca 0.00 0.84 0.26 0.00 0.70 0.00 0.00 55.95 57.75 2k4w s SER 116 Cb 0.00 1.20 1.58 0.00 -1.71 0.00 0.00 66.02 67.08 2k4w s SER 116 CO 0.00 -0.13 2.11 -0.07 1.20 0.00 0.00 173.24 176.35 2k4w h LEU 117 N 6.02 0.00 -1.99 3.45 -0.00 -1.99 -1.61 115.31 119.19 2k4w h LEU 117 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.60 2k4w h LEU 117 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.85 2k4w h LEU 117 CO 0.19 0.00 0.00 0.44 -0.00 0.00 0.00 178.44 179.07 2k4w h ASP 118 N 0.00 0.00 0.99 -0.43 3.32 -1.98 0.55 116.42 118.86 2k4w h ASP 118 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 2k4w h ASP 118 Cb 0.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.98 2k4w h ASP 118 CO -0.00 0.00 -0.30 -1.84 -1.72 0.00 0.00 179.24 175.38 2k4w n GLU 119 N -2.56 0.17 0.00 3.56 0.28 -0.60 -4.24 120.64 117.25 2k4w n GLU 119 Ca -0.02 0.09 0.00 0.00 -0.16 0.00 0.00 57.16 57.07 2k4w n GLU 119 Cb 0.05 -1.64 0.00 0.00 1.43 0.00 0.00 31.44 31.28 2k4w n GLU 119 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 2k4w n VAL 120 N -1.91 0.31 0.21 3.84 0.24 0.04 -4.86 118.33 116.20 2k4w n VAL 120 Ca 0.05 -0.54 0.02 0.00 -2.04 0.00 0.00 64.34 61.83 2k4w n VAL 120 Cb 0.40 0.98 0.10 0.00 -1.47 0.00 0.00 33.84 33.85 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 -0.15 0.09 -1.23 7.34 2.85 -0.34 -1.76 118.16 124.95 2k4w n LYS 121 Ca 0.00 0.11 -0.01 0.00 -1.05 0.00 0.00 58.31 57.36 2k4w n LYS 121 Cb 0.15 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 33.01 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 -1.13 0.11 -4.76 -5.58 2.03 -1.26 -4.49 116.55 101.48 2k4w n ASP 122 Ca 0.02 -1.97 -0.27 0.00 0.52 0.00 0.00 54.79 53.09 2k4w n ASP 122 Cb 0.02 -0.04 -0.01 0.00 -0.72 0.00 0.00 41.12 40.37 2k4w n ASP 122 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2k4w n LYS 123 N 0.26 0.71 -4.24 -0.67 4.76 -0.72 -1.94 118.16 116.32 2k4w n LYS 123 Ca -0.08 -3.44 -0.20 0.00 -2.87 0.00 0.00 58.31 51.72 2k4w n LYS 123 Cb 0.93 0.49 -0.12 0.00 -1.84 0.00 0.00 35.03 34.49 2k4w n LYS 123 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2k4w s ALA 124 N -2.79 1.51 0.18 7.82 0.00 -0.20 -1.00 121.76 127.27 2k4w s ALA 124 Ca 0.24 -1.19 0.10 0.00 0.00 0.00 0.00 51.96 51.12 2k4w s ALA 124 Cb -0.02 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 2k4w s ALA 124 CO 0.15 0.21 -0.19 -0.48 0.00 0.00 0.00 175.76 175.45 2k4w s LEU 125 N -2.06 2.63 -0.03 0.00 0.05 -0.46 -1.35 118.68 117.46 2k4w s LEU 125 Ca 0.05 -0.73 0.01 0.00 0.05 0.00 0.00 54.13 53.51 2k4w s LEU 125 Cb -0.08 -1.38 0.02 0.00 -2.05 0.00 0.00 46.19 42.71 2k4w s LEU 125 CO 0.03 0.13 -0.01 -0.04 -0.55 0.00 0.00 176.35 175.91 2k4w s MET 126 N -2.62 0.42 -0.47 1.48 -1.94 -0.42 -0.69 119.30 115.06 2k4w s MET 126 Ca 0.21 0.01 -0.26 0.00 -1.71 0.00 0.00 55.69 53.95 2k4w s MET 126 Cb -0.09 -0.54 0.03 0.00 2.01 0.00 0.00 34.83 36.25 2k4w s MET 126 CO 0.11 -0.10 0.95 0.42 -0.01 0.00 0.00 175.02 176.39 2k4w s ILE 127 N 0.86 4.43 0.15 2.53 1.01 0.31 -2.29 121.20 128.21 2k4w s ILE 127 Ca -0.09 0.73 -0.11 0.00 0.00 0.00 0.00 60.65 61.18 2k4w s ILE 127 Cb -0.13 -4.47 -0.07 0.00 0.01 0.00 0.00 42.46 37.81 2k4w s ILE 127 CO -0.01 -0.89 0.49 -1.00 0.00 0.00 0.00 174.94 173.53 2k4w s HIS 128 N 3.86 3.53 0.27 3.97 3.76 -0.14 -0.58 115.29 129.96 2k4w s HIS 128 Ca 0.37 0.88 -0.02 0.00 -0.15 0.00 0.00 55.06 56.14 2k4w s HIS 128 Cb -0.10 -2.25 0.35 0.00 1.11 0.00 0.00 32.58 31.69 2k4w s HIS 128 CO 0.26 0.40 1.81 0.28 -0.85 0.00 0.00 174.74 176.65 2k4w h VAL 129 N 2.50 1.23 -1.85 -0.90 2.07 -1.13 -3.05 116.25 115.12 2k4w h VAL 129 Ca -0.48 -0.82 -0.60 0.00 0.82 0.00 0.00 66.70 65.62 2k4w h VAL 129 Cb 1.18 0.61 -0.13 0.00 -1.52 0.00 0.00 31.29 31.43 2k4w h VAL 129 CO 0.68 0.31 -0.59 -0.83 0.02 0.00 0.00 177.57 177.16 2k4w s GLY 130 N -3.59 2.46 1.04 2.17 0.00 -1.26 -4.67 107.32 103.47 2k4w s GLY 130 Ca -0.10 -2.06 -0.12 0.00 0.00 0.00 0.00 44.72 42.44 2k4w s GLY 130 CO 0.81 -2.03 1.08 -0.32 0.00 0.00 0.00 173.10 172.63 2k4w s GLY 131 N -3.67 1.56 -0.01 0.20 0.00 -0.90 -0.74 107.32 103.76 2k4w s GLY 131 Ca 0.33 -0.29 0.02 0.00 0.00 0.00 0.00 44.72 44.78 2k4w s GLY 131 CO 0.16 0.35 0.89 1.34 0.00 0.00 0.00 173.10 175.84 2k4w n ASP 132 N -4.38 1.44 0.00 1.64 2.03 -1.26 -4.71 116.55 111.31 2k4w n ASP 132 Ca 0.05 -1.88 0.01 0.00 0.52 0.00 0.00 54.79 53.49 2k4w n ASP 132 Cb 0.56 -0.06 0.03 0.00 -0.72 0.00 0.00 41.12 40.94 2k4w n ASP 132 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2k4w n ASN 133 N -0.46 0.00 -4.51 1.67 6.94 -1.26 -4.67 115.26 112.97 2k4w n ASN 133 Ca 0.02 -0.88 -0.43 0.00 -0.02 0.00 0.00 54.58 53.26 2k4w n ASN 133 Cb 0.38 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.80 2k4w n ASN 133 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 2k4w n MET 134 N -0.54 3.20 0.00 -3.83 2.81 -1.26 -4.52 117.12 112.98 2k4w n MET 134 Ca 0.01 -3.31 0.15 0.00 -1.81 0.00 0.00 57.70 52.74 2k4w n MET 134 Cb 0.00 -3.43 0.72 0.00 -0.71 0.00 0.00 33.22 29.80 2k4w n MET 134 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2k4w n SER 135 N 7.90 0.17 -3.76 7.83 2.88 -1.26 -4.55 113.62 122.83 2k4w n SER 135 Ca 0.48 -0.34 -0.13 0.00 -1.33 0.00 0.00 58.87 57.55 2k4w n SER 135 Cb 0.45 -0.19 -0.10 0.00 -0.75 0.00 0.00 64.21 63.62 2k4w n SER 135 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2k4w s ASP 136 N -2.51 -0.26 0.00 -3.46 -1.08 -1.26 -4.86 116.67 103.23 2k4w s ASP 136 Ca 0.30 0.37 0.00 0.00 -0.52 0.00 0.00 52.55 52.69 2k4w s ASP 136 Cb 0.20 0.49 0.00 0.00 -1.46 0.00 0.00 42.92 42.15 2k4w s ASP 136 CO 0.46 -0.28 0.00 0.00 0.52 0.00 0.00 175.17 175.87 2k4w n GLN 137 N 2.08 0.00 0.05 4.34 10.64 -1.26 -4.99 117.38 128.24 2k4w n GLN 137 Ca -0.17 0.00 0.11 0.00 -1.83 0.00 0.00 57.00 55.11 2k4w n GLN 137 Cb 0.57 0.00 0.45 0.00 -0.86 0.00 0.00 30.24 30.40 2k4w n GLN 137 CO 0.00 0.00 0.00 -0.35 -1.83 0.00 0.00 177.06 174.88 2k4w n PRO 138 N -1.44 0.10 -2.53 2.61 -0.04 -1.26 -4.53 135.00 127.91 2k4w n PRO 138 Ca 0.00 0.22 -0.43 0.00 -0.04 0.00 0.00 63.50 63.25 2k4w n PRO 138 Cb 0.00 -1.65 -0.02 0.00 -0.04 0.00 0.00 33.50 31.79 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 -3.10 4.01 1.07 0.54 -0.14 -1.26 -5.03 119.74 115.84 2k4w s LYS 139 Ca 0.09 1.18 -0.15 0.00 -1.36 0.00 0.00 55.97 55.73 2k4w s LYS 139 Cb 0.13 -3.80 0.22 0.00 -1.68 0.00 0.00 37.83 32.70 2k4w s LYS 139 CO 0.43 -0.98 1.11 -1.25 -0.76 0.00 0.00 175.35 173.90 2k4w s PRO 140 N 3.87 -0.17 -0.18 -1.68 0.04 -1.26 -3.52 135.00 132.10 2k4w s PRO 140 Ca 0.51 0.21 0.00 0.00 0.04 0.00 0.00 61.00 61.75 2k4w s PRO 140 Cb -0.15 -1.69 0.00 0.00 0.04 0.00 0.00 34.50 32.70 2k4w s PRO 140 CO 0.19 -3.07 0.00 1.28 0.04 0.00 0.00 177.00 175.44 2k4w n LEU 141 N -4.36 0.45 0.00 -3.56 4.77 -1.26 -2.96 117.00 110.08 2k4w n LEU 141 Ca 0.09 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 2k4w n LEU 141 Cb 0.58 -1.83 0.00 0.00 -2.33 0.00 0.00 43.42 39.85 2k4w n LEU 141 CO 0.52 -0.66 0.00 0.61 -1.33 0.00 0.00 177.39 176.54 2k4w n GLY 142 N -0.52 0.79 5.00 -0.72 0.00 -1.26 -4.73 105.19 103.76 2k4w n GLY 142 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.16 1.20 1.87 -0.02 0.00 -1.15 -4.72 105.19 100.21 2k4w n GLY 143 Ca 0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 2.29 0.15 -0.02 0.00 -1.26 -4.62 105.19 101.72 2k4w n GLY 144 Ca 0.00 -0.48 0.12 0.00 0.00 0.00 0.00 46.02 45.67 2k4w n GLY 144 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2k4w h GLY 145 N 4.26 0.00 -4.90 -0.02 0.00 -1.87 -3.44 103.07 97.09 2k4w h GLY 145 Ca 0.07 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.87 2k4w h GLY 145 CO 0.15 0.00 0.92 -0.51 0.00 0.00 0.00 176.54 177.10 2k4w s THR 146 N -3.38 3.37 0.23 4.70 -4.23 -1.26 -4.98 115.64 110.09 2k4w s THR 146 Ca 0.03 0.79 -0.09 0.00 -1.18 0.00 0.00 61.69 61.24 2k4w s THR 146 Cb 0.09 -3.50 -0.07 0.00 1.34 0.00 0.00 72.50 70.35 2k4w s THR 146 CO 0.38 -0.00 0.55 -0.13 -0.54 0.00 0.00 174.62 174.88 2k4w s ARG 147 N 2.53 3.78 -0.10 3.99 1.81 -1.26 -0.61 118.95 129.09 2k4w s ARG 147 Ca 0.69 0.25 -0.00 0.00 -1.72 0.00 0.00 55.73 54.94 2k4w s ARG 147 Cb -0.36 -2.65 -0.06 0.00 -0.45 0.00 0.00 34.95 31.44 2k4w s ARG 147 CO 0.29 0.31 -0.10 0.98 -0.68 0.00 0.00 175.30 176.11 2k4w n TYR 148 N -0.21 0.00 -3.87 -0.53 9.36 0.25 -4.66 117.16 117.51 2k4w n TYR 148 Ca 0.00 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.11 2k4w n TYR 148 Cb 0.52 -0.38 -0.13 0.00 -0.63 0.00 0.00 39.34 38.73 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 -2.19 -0.15 0.00 2.98 0.00 -0.95 -1.21 121.76 120.24 2k4w s ALA 149 Ca -0.13 0.03 0.04 0.00 0.00 0.00 0.00 51.96 51.90 2k4w s ALA 149 Cb 0.04 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.08 2k4w s ALA 149 CO 0.22 -0.07 -0.11 0.00 0.00 0.00 0.00 175.76 175.79 2k4w s GLY 151 N -1.26 1.61 0.30 0.00 0.00 0.14 -1.46 107.32 106.65 2k4w s GLY 151 Ca 0.15 -2.73 -0.30 0.00 0.00 0.00 0.00 44.72 41.84 2k4w s GLY 151 CO 0.05 1.84 1.59 1.55 0.00 0.00 0.00 173.10 178.13 2k4w n VAL 152 N 2.79 1.13 -4.41 1.40 3.14 -1.26 -1.35 118.33 119.78 2k4w n VAL 152 Ca 0.24 -0.28 -0.35 0.00 -2.96 0.00 0.00 64.34 61.00 2k4w n VAL 152 Cb 0.43 -1.98 -0.10 0.00 -1.06 0.00 0.00 33.84 31.14 2k4w n VAL 152 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 2k4w s ILE 153 N -0.13 4.21 0.00 1.55 1.01 -0.17 -4.74 121.20 122.93 2k4w s ILE 153 Ca 0.63 -0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.97 2k4w s ILE 153 Cb -0.49 -2.77 0.00 0.00 0.01 0.00 0.00 42.46 39.21 2k4w s ILE 153 CO 0.50 0.59 0.45 0.29 0.00 0.00 0.00 174.94 176.77