#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 1.26 -0.01 0.00 0.01 -1.26 -0.75 113.70 112.96 2k4w s SER 2 Ca 0.00 -0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.05 2k4w s SER 2 Cb 0.00 -0.14 0.01 0.00 0.21 0.00 0.00 66.02 66.10 2k4w s SER 2 CO 0.00 0.12 0.01 -0.70 0.41 0.00 0.00 173.24 173.08 2k4w s GLU 3 N -0.30 0.00 -0.68 12.44 2.56 0.04 -5.00 118.70 127.76 2k4w s GLU 3 Ca 0.04 0.05 -0.20 0.00 0.00 0.00 0.00 54.97 54.86 2k4w s GLU 3 Cb -0.04 -0.09 0.10 0.00 2.00 0.00 0.00 34.13 36.10 2k4w s GLU 3 CO -0.00 -0.05 0.88 -1.59 -0.56 0.00 0.00 175.26 173.94 2k4w s LYS 4 N 0.33 3.17 -0.28 4.30 0.00 -1.26 -0.66 119.74 125.34 2k4w s LYS 4 Ca -0.03 -1.22 -0.21 0.00 0.00 0.00 0.00 55.97 54.51 2k4w s LYS 4 Cb -0.04 -4.36 -0.01 0.00 0.00 0.00 0.00 37.83 33.42 2k4w s LYS 4 CO -0.01 -1.69 0.67 0.08 0.00 0.00 0.00 175.35 174.40 2k4w s VAL 5 N 3.19 4.92 -0.40 1.79 1.01 0.12 -4.89 120.40 126.15 2k4w s VAL 5 Ca 0.19 1.07 -0.29 0.00 0.00 0.00 0.00 61.98 62.96 2k4w s VAL 5 Cb -0.18 -4.01 0.01 0.00 0.00 0.00 0.00 36.38 32.21 2k4w s VAL 5 CO 0.05 -0.09 1.32 -0.83 0.00 0.00 0.00 175.10 175.55 2k4w s GLY 6 N 1.55 1.21 -0.15 4.51 0.00 -1.26 -0.88 107.32 112.30 2k4w s GLY 6 Ca 0.27 -0.17 -0.25 0.00 0.00 0.00 0.00 44.72 44.57 2k4w s GLY 6 CO 0.10 2.64 0.83 1.06 0.00 0.00 0.00 173.10 177.73 2k4w s MET 7 N 4.63 4.32 0.09 2.90 -1.94 -0.77 -4.32 119.30 124.22 2k4w s MET 7 Ca 0.57 1.04 0.07 0.00 -1.71 0.00 0.00 55.69 55.65 2k4w s MET 7 Cb -0.13 -3.56 -0.04 0.00 2.01 0.00 0.00 34.83 33.12 2k4w s MET 7 CO 0.30 -0.28 -0.10 -0.80 -0.01 0.00 0.00 175.02 174.12 2k4w s ASN 8 N 1.12 4.37 0.36 3.03 -0.87 -0.48 -2.98 114.94 119.48 2k4w s ASN 8 Ca 0.39 -0.38 -0.28 0.00 -1.57 0.00 0.00 52.86 51.03 2k4w s ASN 8 Cb -0.17 -0.83 -0.12 0.00 -0.02 0.00 0.00 41.25 40.11 2k4w s ASN 8 CO 0.14 0.19 1.35 0.18 -2.57 0.00 0.00 177.10 176.38 2k4w n LEU 9 N 0.81 3.95 -4.11 0.60 4.77 0.17 -1.33 117.00 121.85 2k4w n LEU 9 Ca -0.14 1.21 -0.17 0.00 -0.03 0.00 0.00 56.01 56.88 2k4w n LEU 9 Cb 0.52 -1.53 -0.13 0.00 -2.33 0.00 0.00 43.42 39.96 2k4w n LEU 9 CO 0.33 -0.30 -0.44 0.68 -1.33 0.00 0.00 177.39 176.33 2k4w s VAL 10 N -1.11 0.89 -0.35 4.08 -7.23 -0.45 -0.56 120.40 115.67 2k4w s VAL 10 Ca 0.55 -1.01 0.06 0.00 -1.81 0.00 0.00 61.98 59.76 2k4w s VAL 10 Cb -0.54 -0.85 0.24 0.00 0.56 0.00 0.00 36.38 35.79 2k4w s VAL 10 CO 0.63 -0.14 1.21 1.07 -0.31 0.00 0.00 175.10 177.56 2k4w n THR 11 N 1.74 0.00 0.00 5.32 5.66 -1.21 -4.66 114.28 121.13 2k4w n THR 11 Ca -0.19 -1.08 0.00 0.00 -3.05 0.00 0.00 64.05 59.73 2k4w n THR 11 Cb 0.55 0.80 0.00 0.00 -1.55 0.00 0.00 70.33 70.13 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 -0.58 0.00 0.83 1.79 0.00 -1.12 -4.53 120.51 116.89 2k4w n ALA 12 Ca -0.14 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.37 2k4w n ALA 12 Cb 0.75 0.00 0.41 0.00 0.00 0.00 0.00 19.45 20.61 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 0.36 0.00 0.00 3.00 -1.26 -4.33 117.38 115.15 2k4w n GLN 13 Ca 0.00 0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 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 -0.07 0.60 3.67 1.08 0.00 -1.26 -4.90 105.19 104.31 2k4w n GLY 14 Ca 0.09 -1.18 -0.42 0.00 0.00 0.00 0.00 46.02 44.51 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 0.00 3.46 0.00 1.61 1.01 -1.25 -3.34 120.40 121.88 2k4w s VAL 15 Ca 0.00 0.72 0.00 0.00 0.00 0.00 0.00 61.98 62.70 2k4w s VAL 15 Cb 0.00 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.92 2k4w s VAL 15 CO 0.00 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.67 2k4w n GLY 16 N 4.00 1.77 3.79 4.51 0.00 0.28 -5.02 105.19 114.51 2k4w n GLY 16 Ca 0.16 -0.86 -0.36 0.00 0.00 0.00 0.00 46.02 44.96 2k4w n GLY 16 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2k4w s GLN 17 N 4.50 4.32 0.22 1.61 0.74 -1.26 -4.73 119.66 125.07 2k4w s GLN 17 Ca 0.00 1.37 -0.23 0.00 0.05 0.00 0.00 55.36 56.55 2k4w s GLN 17 Cb 0.00 -2.56 -0.08 0.00 1.10 0.00 0.00 33.01 31.47 2k4w s GLN 17 CO 0.00 0.03 0.79 0.45 -0.55 0.00 0.00 175.29 176.01 2k4w s SER 18 N -1.71 7.24 0.00 6.67 0.15 -1.26 -0.66 113.70 124.13 2k4w s SER 18 Ca 0.56 1.59 0.00 0.00 0.70 0.00 0.00 55.95 58.80 2k4w s SER 18 Cb -0.18 -2.48 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 2k4w s SER 18 CO 0.23 0.07 0.13 2.30 1.20 0.00 0.00 173.24 177.17 2k4w n ILE 19 N 0.99 0.00 0.00 6.45 -5.35 -1.16 -4.94 119.36 115.35 2k4w n ILE 19 Ca -0.03 -0.13 0.00 0.00 -0.27 0.00 0.00 62.75 62.32 2k4w n ILE 19 Cb 0.50 1.72 0.00 0.00 -1.74 0.00 0.00 39.64 40.12 2k4w n ILE 19 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2k4w n GLY 20 N 0.01 2.92 3.98 3.28 0.00 -1.25 -2.41 105.19 111.71 2k4w n GLY 20 Ca 0.00 -1.35 -0.21 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.00 2.22 -0.09 2.61 -4.23 -1.26 -1.85 115.64 111.03 2k4w s THR 21 Ca 0.00 -1.17 0.04 0.00 -1.18 0.00 0.00 61.69 59.38 2k4w s THR 21 Cb 0.00 -2.39 -0.00 0.00 1.34 0.00 0.00 72.50 71.45 2k4w s THR 21 CO 0.00 0.00 -0.23 -0.69 -0.54 0.00 0.00 174.62 173.16 2k4w s VAL 22 N -2.62 2.19 -0.17 2.29 1.01 -0.06 -3.43 120.40 119.61 2k4w s VAL 22 Ca 0.52 -0.98 -0.25 0.00 0.00 0.00 0.00 61.98 61.27 2k4w s VAL 22 Cb -0.05 -1.84 -0.02 0.00 0.00 0.00 0.00 36.38 34.47 2k4w s VAL 22 CO 0.32 0.56 0.81 0.54 0.00 0.00 0.00 175.10 177.33 2k4w s VAL 23 N 0.21 4.90 -0.31 2.92 0.11 -0.42 -0.71 120.40 127.11 2k4w s VAL 23 Ca -0.14 1.59 -0.13 0.00 -2.93 0.00 0.00 61.98 60.36 2k4w s VAL 23 Cb -0.17 -4.12 -0.03 0.00 -1.53 0.00 0.00 36.38 30.54 2k4w s VAL 23 CO 0.07 0.05 0.28 -0.63 -3.33 0.00 0.00 175.10 171.54 2k4w s ILE 24 N 2.06 5.24 -0.28 7.04 1.01 0.16 -0.80 121.20 135.62 2k4w s ILE 24 Ca 0.37 0.15 0.03 0.00 0.00 0.00 0.00 60.65 61.21 2k4w s ILE 24 Cb -0.17 -3.68 0.07 0.00 0.01 0.00 0.00 42.46 38.69 2k4w s ILE 24 CO 0.13 0.09 -0.07 -0.62 0.00 0.00 0.00 174.94 174.47 2k4w s ASP 25 N 1.72 4.56 0.39 3.58 2.15 -0.39 -0.78 116.67 127.91 2k4w s ASP 25 Ca 0.10 -1.54 -0.23 0.00 0.43 0.00 0.00 52.55 51.31 2k4w s ASP 25 Cb -0.16 -1.58 -0.10 0.00 -0.30 0.00 0.00 42.92 40.77 2k4w s ASP 25 CO 0.11 -0.24 0.95 -1.83 -0.17 0.00 0.00 175.17 174.00 2k4w s GLU 26 N 1.08 4.35 0.37 4.34 4.04 0.07 -0.80 118.70 132.15 2k4w s GLU 26 Ca -0.05 1.22 -0.15 0.00 0.04 0.00 0.00 54.97 56.04 2k4w s GLU 26 Cb -0.20 -2.43 0.06 0.00 0.02 0.00 0.00 34.13 31.58 2k4w s GLU 26 CO -0.05 0.07 0.78 -2.37 -1.84 0.00 0.00 175.26 171.85 2k4w n THR 27 N -0.17 0.00 0.25 1.83 5.66 -0.21 -1.55 114.28 120.09 2k4w n THR 27 Ca 0.05 -0.93 0.08 0.00 -3.05 0.00 0.00 64.05 60.20 2k4w n THR 27 Cb 0.52 0.94 0.62 0.00 -1.55 0.00 0.00 70.33 70.87 2k4w n THR 27 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 2k4w h GLU 28 N 0.00 0.00 -0.17 1.09 4.81 -1.97 0.87 114.58 119.21 2k4w h GLU 28 Ca -0.32 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 2k4w h GLU 28 Cb 1.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.58 2k4w h GLU 28 CO 0.41 0.13 0.00 0.41 -0.73 0.00 0.00 179.01 179.23 2k4w n GLY 29 N -1.02 -0.25 6.05 1.92 0.00 -1.26 -4.96 105.19 105.67 2k4w n GLY 29 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 0.71 -0.02 3.54 -0.02 0.00 0.30 -3.08 105.19 106.61 2k4w n GLY 30 Ca 0.05 -1.14 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 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 3.57 -0.45 0.99 1.43 -0.65 -1.04 118.68 122.54 2k4w s LEU 31 Ca 0.00 -1.03 -0.28 0.00 -1.03 0.00 0.00 54.13 51.78 2k4w s LEU 31 Cb 0.00 -2.54 -0.01 0.00 0.03 0.00 0.00 46.19 43.68 2k4w s LEU 31 CO 0.00 -1.60 1.64 -0.75 0.23 0.00 0.00 176.35 175.87 2k4w s LYS 32 N 5.02 3.26 -0.47 1.70 2.20 0.02 -1.17 119.74 130.30 2k4w s LYS 32 Ca 0.38 0.97 -0.16 0.00 -0.36 0.00 0.00 55.97 56.80 2k4w s LYS 32 Cb -0.05 -4.18 0.07 0.00 -1.51 0.00 0.00 37.83 32.16 2k4w s LYS 32 CO 0.03 -1.96 0.39 0.12 -0.36 0.00 0.00 175.35 173.57 2k4w s PHE 33 N 6.77 3.24 -0.30 4.03 5.36 -1.26 -1.26 117.98 134.57 2k4w s PHE 33 Ca 0.68 -0.90 -0.00 0.00 -0.96 0.00 0.00 56.93 55.74 2k4w s PHE 33 Cb -0.16 -3.15 0.06 0.00 -0.34 0.00 0.00 43.02 39.43 2k4w s PHE 33 CO 0.29 -0.79 -0.01 0.99 -1.46 0.00 0.00 175.22 174.24 2k4w s THR 34 N 1.66 2.79 0.43 0.12 2.01 0.02 -0.72 115.64 121.95 2k4w s THR 34 Ca 0.04 -1.52 -0.18 0.00 0.31 0.00 0.00 61.69 60.35 2k4w s THR 34 Cb -0.24 -2.64 -0.09 0.00 0.01 0.00 0.00 72.50 69.53 2k4w s THR 34 CO 0.07 -0.14 0.90 -2.16 -0.69 0.00 0.00 174.62 172.61 2k4w s PRO 35 N 1.20 4.06 0.00 4.92 0.04 -1.26 -1.29 135.00 142.66 2k4w s PRO 35 Ca -0.05 0.93 0.09 0.00 0.04 0.00 0.00 61.00 62.01 2k4w s PRO 35 Cb -0.20 -2.23 0.15 0.00 0.04 0.00 0.00 34.50 32.26 2k4w s PRO 35 CO -0.02 -0.07 1.03 -2.39 0.04 0.00 0.00 177.00 175.59 2k4w n HIS 36 N -0.93 0.00 -2.10 0.56 1.44 -1.22 -3.91 115.22 109.05 2k4w n HIS 36 Ca 0.06 -0.18 -0.31 0.00 -2.01 0.00 0.00 57.72 55.27 2k4w n HIS 36 Cb 0.54 -0.05 -0.01 0.00 0.12 0.00 0.00 29.99 30.59 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 0.00 3.40 0.24 2.39 1.02 -1.24 -4.80 118.68 119.69 2k4w s LEU 37 Ca 0.12 1.47 0.01 0.00 0.02 0.00 0.00 54.13 55.75 2k4w s LEU 37 Cb 0.13 -4.48 -0.05 0.00 0.02 0.00 0.00 46.19 41.82 2k4w s LEU 37 CO -0.06 -0.75 0.11 -1.59 0.02 0.00 0.00 176.35 174.09 2k4w s LYS 38 N -4.71 1.36 0.00 1.70 0.00 -1.01 -0.44 119.74 116.63 2k4w s LYS 38 Ca 0.56 -1.73 0.00 0.00 0.00 0.00 0.00 55.97 54.80 2k4w s LYS 38 Cb -0.11 -0.08 0.00 0.00 0.00 0.00 0.00 37.83 37.64 2k4w s LYS 38 CO 0.44 -0.34 0.00 0.00 0.00 0.00 0.00 175.35 175.46 2k4w n ALA 39 N -0.41 0.00 -2.88 0.59 0.00 -0.03 -4.78 120.51 112.99 2k4w n ALA 39 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.24 2k4w n ALA 39 Cb 0.66 -0.35 -0.02 0.00 0.00 0.00 0.00 19.45 19.74 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 0.00 4.26 0.13 0.00 2.34 -1.14 -5.07 118.68 119.20 2k4w s LEU 40 Ca 0.00 0.04 -0.31 0.00 0.06 0.00 0.00 54.13 53.92 2k4w s LEU 40 Cb 0.00 -2.86 -0.10 0.00 -0.56 0.00 0.00 46.19 42.68 2k4w s LEU 40 CO 0.00 -0.13 1.67 -2.16 -1.06 0.00 0.00 176.35 174.67 2k4w s PRO 41 N -4.02 4.18 -0.22 1.48 0.04 -1.26 -4.44 135.00 130.77 2k4w s PRO 41 Ca 0.36 2.43 0.01 0.00 0.04 0.00 0.00 61.00 63.84 2k4w s PRO 41 Cb -0.09 -3.38 0.28 0.00 0.04 0.00 0.00 34.50 31.35 2k4w s PRO 41 CO 0.30 -0.71 1.51 -0.35 0.04 0.00 0.00 177.00 177.78 2k4w n PRO 42 N 4.84 1.58 0.00 0.56 -0.04 -1.26 -4.59 135.00 136.09 2k4w n PRO 42 Ca 0.16 -1.35 0.00 0.00 -0.04 0.00 0.00 63.50 62.27 2k4w n PRO 42 Cb 0.39 -1.53 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 2k4w n PRO 42 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k4w n GLY 43 N -0.11 0.72 3.32 0.55 0.00 -1.26 -3.53 105.19 104.88 2k4w n GLY 43 Ca 0.27 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.00 2k4w n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k4w s GLU 44 N 3.09 1.64 0.01 1.61 2.02 -1.26 -0.99 118.70 124.83 2k4w s GLU 44 Ca 0.00 -1.09 0.01 0.00 0.02 0.00 0.00 54.97 53.91 2k4w s GLU 44 Cb 0.00 -1.84 -0.01 0.00 0.10 0.00 0.00 34.13 32.38 2k4w s GLU 44 CO 0.00 0.47 -0.04 -1.01 0.02 0.00 0.00 175.26 174.70 2k4w s HIS 45 N -0.83 0.37 0.98 1.61 3.76 -0.38 -4.48 115.29 116.31 2k4w s HIS 45 Ca 0.11 -0.24 -0.12 0.00 -0.15 0.00 0.00 55.06 54.66 2k4w s HIS 45 Cb -0.10 -0.24 0.18 0.00 1.11 0.00 0.00 32.58 33.53 2k4w s HIS 45 CO 0.02 -0.05 1.08 0.20 -0.85 0.00 0.00 174.74 175.14 2k4w s GLY 46 N -0.66 1.61 -0.11 -2.22 0.00 0.28 0.50 107.32 106.72 2k4w s GLY 46 Ca -0.04 0.01 -0.05 0.00 0.00 0.00 0.00 44.72 44.64 2k4w s GLY 46 CO -0.00 0.56 0.25 -0.12 0.00 0.00 0.00 173.10 173.78 2k4w s PHE 47 N -2.77 -0.35 0.34 1.90 5.36 -1.21 -0.77 117.98 120.49 2k4w s PHE 47 Ca 0.65 0.84 0.07 0.00 -0.96 0.00 0.00 56.93 57.53 2k4w s PHE 47 Cb -0.21 0.02 -0.07 0.00 -0.34 0.00 0.00 43.02 42.42 2k4w s PHE 47 CO 0.59 -0.27 -0.03 -1.01 -1.46 0.00 0.00 175.22 173.04 2k4w s HIS 48 N 1.62 2.25 0.31 10.12 3.76 -1.07 -3.89 115.29 128.38 2k4w s HIS 48 Ca -0.06 -0.68 -0.17 0.00 -0.15 0.00 0.00 55.06 54.01 2k4w s HIS 48 Cb -0.11 -1.41 -0.09 0.00 1.11 0.00 0.00 32.58 32.08 2k4w s HIS 48 CO -0.08 0.37 0.75 0.42 -0.85 0.00 0.00 174.74 175.35 2k4w s ILE 49 N -2.86 4.62 0.15 0.60 1.01 -1.22 -1.92 121.20 121.59 2k4w s ILE 49 Ca 0.33 1.08 0.09 0.00 0.00 0.00 0.00 60.65 62.15 2k4w s ILE 49 Cb 0.06 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.82 2k4w s ILE 49 CO 0.16 -0.10 -0.20 -1.00 0.00 0.00 0.00 174.94 173.80 2k4w s HIS 50 N -1.89 1.88 0.42 3.97 3.76 -0.57 -3.53 115.29 119.33 2k4w s HIS 50 Ca 0.52 -0.44 0.09 0.00 -0.15 0.00 0.00 55.06 55.08 2k4w s HIS 50 Cb -0.12 -0.96 0.91 0.00 1.11 0.00 0.00 32.58 33.52 2k4w s HIS 50 CO 0.18 0.32 2.03 0.00 -0.85 0.00 0.00 174.74 176.42 2k4w h ALA 51 N 3.46 1.69 -4.92 -1.40 0.00 -1.41 -3.28 119.26 113.39 2k4w h ALA 51 Ca -0.44 -0.08 -0.53 0.00 0.00 0.00 0.00 54.91 53.86 2k4w h ALA 51 Cb 1.20 -0.11 -0.12 0.00 0.00 0.00 0.00 17.79 18.76 2k4w h ALA 51 CO 0.48 0.25 -0.47 0.09 0.00 0.00 0.00 179.25 179.60 2k4w n ASN 52 N -4.42 0.69 -4.34 0.00 3.02 0.11 -4.82 115.26 105.49 2k4w n ASN 52 Ca 0.01 -3.18 -0.34 0.00 -0.03 0.00 0.00 54.58 51.04 2k4w n ASN 52 Cb 0.13 1.21 -0.14 0.00 -0.61 0.00 0.00 39.78 40.37 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 -3.46 1.57 0.00 7.41 0.00 -0.96 -1.39 107.32 110.48 2k4w s GLY 53 Ca 0.26 -1.00 0.00 0.00 0.00 0.00 0.00 44.72 43.98 2k4w s GLY 53 CO 0.18 0.07 0.00 1.44 0.00 0.00 0.00 173.10 174.79 2k4w n SER 54 N 4.04 0.00 -0.66 1.64 7.64 -1.26 -4.48 113.62 120.55 2k4w n SER 54 Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.70 2k4w n SER 54 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 2k4w n SER 54 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k4w s GLN 56 N -0.43 4.27 0.52 0.00 1.11 -1.26 -3.92 119.66 119.95 2k4w s GLN 56 Ca 0.00 0.18 -0.10 0.00 0.01 0.00 0.00 55.36 55.45 2k4w s GLN 56 Cb 0.00 -3.43 -0.05 0.00 -1.01 0.00 0.00 33.01 28.52 2k4w s GLN 56 CO 0.00 0.22 0.90 -1.25 0.01 0.00 0.00 175.29 175.17 2k4w s PRO 57 N 0.49 3.68 0.71 2.91 0.04 -1.26 -0.40 135.00 141.16 2k4w s PRO 57 Ca 0.19 0.58 -0.03 0.00 0.04 0.00 0.00 61.00 61.77 2k4w s PRO 57 Cb -0.13 -2.24 0.10 0.00 0.04 0.00 0.00 34.50 32.27 2k4w s PRO 57 CO 0.05 -0.30 0.99 0.00 0.04 0.00 0.00 177.00 177.78 2k4w s ALA 58 N -2.79 3.48 -0.09 8.56 0.00 -1.26 -4.84 121.76 124.81 2k4w s ALA 58 Ca 0.53 -1.42 -0.02 0.00 0.00 0.00 0.00 51.96 51.05 2k4w s ALA 58 Cb -0.10 -2.23 -0.03 0.00 0.00 0.00 0.00 23.12 20.76 2k4w s ALA 58 CO 0.43 -1.38 -0.01 0.42 0.00 0.00 0.00 175.76 175.21 2k4w s ILE 59 N -3.16 4.17 0.00 0.00 -1.09 -1.26 -0.28 121.20 119.57 2k4w s ILE 59 Ca 0.64 -0.30 0.00 0.00 -2.23 0.00 0.00 60.65 58.76 2k4w s ILE 59 Cb -0.07 -2.76 0.00 0.00 -1.58 0.00 0.00 42.46 38.05 2k4w s ILE 59 CO 0.44 0.59 0.00 2.29 -1.23 0.00 0.00 174.94 177.03 2k4w n LYS 60 N 2.37 0.00 0.09 2.79 2.85 -0.44 -4.95 118.16 120.86 2k4w n LYS 60 Ca -0.18 0.00 0.11 0.00 -1.05 0.00 0.00 58.31 57.19 2k4w n LYS 60 Cb 0.53 0.00 0.59 0.00 -0.65 0.00 0.00 35.03 35.51 2k4w n LYS 60 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 177.40 177.57 2k4w h ASP 61 N 0.00 0.14 0.00 -5.58 3.58 -2.02 -3.41 116.42 109.13 2k4w h ASP 61 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2k4w h ASP 61 Cb 0.00 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.02 2k4w h ASP 61 CO 0.00 0.09 0.00 0.61 -2.88 0.00 0.00 179.24 177.06 2k4w n GLY 62 N -1.55 0.00 0.00 -0.78 0.00 -1.26 -5.16 105.19 96.44 2k4w n GLY 62 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 0.00 -4.80 1.61 10.64 -1.26 -5.20 117.38 118.37 2k4w n GLN 63 Ca 0.00 0.00 -0.32 0.00 -1.83 0.00 0.00 57.00 54.85 2k4w n GLN 63 Cb 0.00 0.00 -0.13 0.00 -0.86 0.00 0.00 30.24 29.25 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 -2.00 2.66 -1.37 2.61 0.00 -1.26 -1.33 121.76 121.07 2k4w s ALA 64 Ca 0.00 -1.05 -0.07 0.00 0.00 0.00 0.00 51.96 50.84 2k4w s ALA 64 Cb 0.00 -0.90 0.09 0.00 0.00 0.00 0.00 23.12 22.30 2k4w s ALA 64 CO 0.00 0.57 2.43 0.28 0.00 0.00 0.00 175.76 179.04 2k4w n VAL 65 N 2.02 4.96 0.00 0.00 0.31 0.62 -4.85 118.33 121.38 2k4w n VAL 65 Ca -0.17 -4.00 0.00 0.00 -0.01 0.00 0.00 64.34 60.16 2k4w n VAL 65 Cb 0.52 -2.21 0.00 0.00 -0.91 0.00 0.00 33.84 31.24 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 2.36 0.00 0.00 3.52 0.00 -1.26 -3.83 120.51 121.30 2k4w n ALA 66 Ca 0.63 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.07 2k4w n ALA 66 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.71 2k4w n ALA 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k4w n ALA 67 N 0.16 0.00 -0.03 0.00 0.00 -1.26 -2.81 120.51 116.57 2k4w n ALA 67 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 2k4w n ALA 67 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 0.14 0.10 0.00 2.13 0.46 -4.72 120.64 118.74 2k4w n GLU 68 Ca 0.00 0.05 0.10 0.00 0.66 0.00 0.00 57.16 57.97 2k4w n GLU 68 Cb 0.00 -0.86 0.44 0.00 0.27 0.00 0.00 31.44 31.29 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 -3.06 1.51 0.38 4.31 0.00 -0.61 -0.85 120.51 122.19 2k4w n ALA 69 Ca -0.12 0.07 0.09 0.00 0.00 0.00 0.00 53.44 53.49 2k4w n ALA 69 Cb 0.59 -1.32 0.40 0.00 0.00 0.00 0.00 19.45 19.13 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 -1.71 1.56 0.00 0.00 0.00 0.44 -3.97 120.51 116.84 2k4w n ALA 70 Ca 0.02 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2k4w n ALA 70 Cb 0.17 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.32 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 -0.22 -0.41 0.00 0.00 0.00 -0.03 -0.71 105.19 103.81 2k4w n GLY 71 Ca 0.02 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.31 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 -1.54 3.44 -0.02 0.00 -1.26 -4.63 105.19 100.79 2k4w n GLY 72 Ca 0.00 -1.52 -0.46 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.65 -0.29 -1.29 1.61 8.25 -1.26 -3.09 115.22 118.50 2k4w n HIS 73 Ca 0.00 0.84 -0.34 0.00 -0.26 0.00 0.00 57.72 57.96 2k4w n HIS 73 Cb 0.00 -2.01 -0.09 0.00 1.12 0.00 0.00 29.99 29.02 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 1.79 2.38 -3.04 2.41 0.00 -1.23 -4.50 117.00 114.81 2k4w n LEU 74 Ca 0.15 -2.49 -0.21 0.00 0.00 0.00 0.00 56.01 53.46 2k4w n LEU 74 Cb 0.30 -1.23 -0.03 0.00 0.00 0.00 0.00 43.42 42.46 2k4w n LEU 74 CO 0.57 -1.90 -0.08 0.47 0.00 0.00 0.00 177.39 176.44 2k4w n ASP 75 N 12.35 2.22 -0.13 1.96 8.00 -1.26 -4.71 116.55 134.98 2k4w n ASP 75 Ca 0.46 -3.24 -0.05 0.00 0.71 0.00 0.00 54.79 52.67 2k4w n ASP 75 Cb 0.44 -0.59 0.13 0.00 -0.02 0.00 0.00 41.12 41.08 2k4w n ASP 75 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2k4w h PRO 76 N 2.98 0.84 -3.05 -0.24 0.13 -1.98 -3.44 132.00 127.24 2k4w h PRO 76 Ca 0.10 -0.24 -0.13 0.00 -0.87 0.00 0.00 66.00 64.87 2k4w h PRO 76 Cb 0.83 -0.09 -0.22 0.00 0.13 0.00 0.00 31.00 31.66 2k4w h PRO 76 CO 0.62 0.85 -0.31 -0.65 -0.23 0.00 0.00 178.00 178.28 2k4w s GLN 77 N -4.97 0.56 0.00 0.86 -0.21 -1.26 -5.08 119.66 109.56 2k4w s GLN 77 Ca -0.10 -0.01 0.00 0.00 0.02 0.00 0.00 55.36 55.27 2k4w s GLN 77 Cb 0.14 0.25 0.00 0.00 1.00 0.00 0.00 33.01 34.41 2k4w s GLN 77 CO 0.82 -0.14 0.00 0.27 -2.12 0.00 0.00 175.29 174.12 2k4w n ASN 78 N 1.78 0.00 0.00 5.90 0.23 -1.26 -4.95 115.26 116.96 2k4w n ASN 78 Ca -0.19 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.86 2k4w n ASN 78 Cb 0.56 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.26 2k4w n ASN 78 CO 0.00 0.00 0.00 1.07 -0.93 0.00 0.00 177.26 177.40 2k4w n THR 79 N 0.00 0.00 -0.89 5.53 5.66 -1.26 -4.60 114.28 118.72 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 0.61 0.00 1.09 0.00 -1.26 -4.95 105.19 100.67 2k4w n GLY 80 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.35 0.00 -3.57 1.61 2.85 -1.26 -5.02 118.16 110.42 2k4w n LYS 81 Ca 0.00 0.00 -0.16 0.00 -1.05 0.00 0.00 58.31 57.10 2k4w n LYS 81 Cb 0.08 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.39 2k4w n LYS 81 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 2k4w s HIS 82 N 2.01 -0.72 0.00 5.58 2.46 -1.26 -4.89 115.29 118.47 2k4w s HIS 82 Ca 0.00 1.51 0.00 0.00 0.47 0.00 0.00 55.06 57.04 2k4w s HIS 82 Cb 0.00 0.34 0.00 0.00 -0.13 0.00 0.00 32.58 32.79 2k4w s HIS 82 CO 0.00 -0.50 0.00 -0.85 -2.47 0.00 0.00 174.74 170.92 2k4w n GLU 83 N 1.75 0.00 0.00 2.88 0.28 -1.26 -4.83 120.64 119.46 2k4w n GLU 83 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.83 2k4w n GLU 83 Cb 0.56 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.43 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 5.00 1.94 0.16 -1.84 0.00 -1.26 -4.68 105.19 104.51 2k4w n GLY 84 Ca 0.00 -0.69 -0.08 0.00 0.00 0.00 0.00 46.02 45.25 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 0.28 -3.85 1.61 0.13 -1.97 -3.44 132.00 124.76 2k4w h PRO 85 Ca 0.00 -0.24 -0.37 0.00 -0.87 0.00 0.00 66.00 64.52 2k4w h PRO 85 Cb 0.00 0.05 -0.34 0.00 0.13 0.00 0.00 31.00 30.84 2k4w h PRO 85 CO 0.00 0.89 -0.76 -1.21 -0.23 0.00 0.00 178.00 176.69 2k4w s GLU 86 N -3.55 0.54 -1.28 0.86 2.02 -1.26 -5.08 118.70 110.95 2k4w s GLU 86 Ca -0.04 -0.00 -0.12 0.00 0.02 0.00 0.00 54.97 54.83 2k4w s GLU 86 Cb 0.11 -0.65 -0.06 0.00 0.10 0.00 0.00 34.13 33.63 2k4w s GLU 86 CO 0.82 -0.11 2.41 0.41 0.02 0.00 0.00 175.26 178.81 2k4w n GLY 87 N 4.12 3.76 3.43 -1.39 0.00 -1.26 -4.70 105.19 109.15 2k4w n GLY 87 Ca -0.25 -1.33 -0.44 0.00 0.00 0.00 0.00 46.02 44.00 2k4w n GLY 87 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2k4w s GLN 88 N 3.16 3.15 0.00 1.61 -0.44 -1.26 -4.90 119.66 120.99 2k4w s GLN 88 Ca 0.55 -1.09 0.00 0.00 -2.50 0.00 0.00 55.36 52.32 2k4w s GLN 88 Cb 0.15 -4.32 0.00 0.00 -1.64 0.00 0.00 33.01 27.19 2k4w s GLN 88 CO -0.03 -1.74 0.00 0.41 0.50 0.00 0.00 175.29 174.43 2k4w n GLY 89 N 5.33 2.15 3.56 2.59 0.00 -1.26 -4.05 105.19 113.51 2k4w n GLY 89 Ca -0.02 -0.19 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 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 0.00 2.12 0.60 1.61 5.04 -1.26 -4.85 115.29 118.55 2k4w s HIS 90 Ca 0.00 0.02 0.31 0.00 -1.54 0.00 0.00 55.06 53.85 2k4w s HIS 90 Cb 0.00 -4.38 1.86 0.00 0.04 0.00 0.00 32.58 30.10 2k4w s HIS 90 CO 0.00 -1.96 2.25 1.37 -2.34 0.00 0.00 174.74 174.06 2k4w h LEU 91 N 15.05 0.00 -0.26 8.88 -0.00 -1.91 -2.49 115.31 134.58 2k4w h LEU 91 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 2k4w h LEU 91 Cb 1.04 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.70 2k4w h LEU 91 CO 1.30 0.00 -0.00 0.61 -0.00 0.00 0.00 178.44 180.35 2k4w n GLY 92 N -1.31 -0.74 3.74 0.17 0.00 -1.26 -4.75 105.19 101.04 2k4w n GLY 92 Ca -0.02 -0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 2k4w n GLY 92 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k4w s ASP 93 N -2.01 6.75 0.23 1.61 1.01 -0.94 -3.40 116.67 119.91 2k4w s ASP 93 Ca 0.45 2.55 -0.13 0.00 0.71 0.00 0.00 52.55 56.12 2k4w s ASP 93 Cb 0.22 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.53 2k4w s ASP 93 CO 0.36 -0.64 0.47 -0.76 0.21 0.00 0.00 175.17 174.81 2k4w s LEU 94 N -0.12 0.34 0.77 1.23 1.02 -1.25 -5.03 118.68 115.65 2k4w s LEU 94 Ca 0.59 -0.82 -0.12 0.00 0.02 0.00 0.00 54.13 53.81 2k4w s LEU 94 Cb -0.40 1.80 0.05 0.00 0.02 0.00 0.00 46.19 47.66 2k4w s LEU 94 CO 0.40 -1.10 1.10 -2.16 0.02 0.00 0.00 176.35 174.62 2k4w s PRO 95 N -3.98 2.32 -0.03 1.29 0.04 -1.26 -4.56 135.00 128.82 2k4w s PRO 95 Ca 0.19 0.53 -0.24 0.00 0.04 0.00 0.00 61.00 61.51 2k4w s PRO 95 Cb -0.00 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 2k4w s PRO 95 CO 0.05 -1.43 0.74 0.14 0.04 0.00 0.00 177.00 176.54 2k4w s VAL 96 N -3.26 4.94 -0.74 -0.36 -7.23 -1.26 -3.33 120.40 109.16 2k4w s VAL 96 Ca 0.60 1.54 -0.26 0.00 -1.81 0.00 0.00 61.98 62.05 2k4w s VAL 96 Cb -0.13 -4.08 -0.00 0.00 0.56 0.00 0.00 36.38 32.73 2k4w s VAL 96 CO 0.53 0.28 1.68 -0.22 -0.31 0.00 0.00 175.10 177.06 2k4w s LEU 97 N 0.55 3.25 0.22 1.32 1.98 0.18 -4.89 118.68 121.30 2k4w s LEU 97 Ca 0.39 -0.23 -0.30 0.00 -2.89 0.00 0.00 54.13 51.10 2k4w s LEU 97 Cb -0.19 -2.55 -0.09 0.00 0.66 0.00 0.00 46.19 44.03 2k4w s LEU 97 CO 0.20 -2.21 0.96 -0.69 -1.89 0.00 0.00 176.35 172.73 2k4w s VAL 98 N 7.93 4.07 -0.00 1.68 1.01 -1.26 -1.25 120.40 132.57 2k4w s VAL 98 Ca 0.57 2.02 0.06 0.00 0.00 0.00 0.00 61.98 64.62 2k4w s VAL 98 Cb -0.09 -4.29 -0.02 0.00 0.00 0.00 0.00 36.38 31.99 2k4w s VAL 98 CO 0.12 0.46 -0.18 -0.69 0.00 0.00 0.00 175.10 174.81 2k4w s VAL 99 N -0.99 1.41 0.58 2.92 1.01 -0.16 -4.18 120.40 120.99 2k4w s VAL 99 Ca 0.42 -0.82 -0.09 0.00 0.00 0.00 0.00 61.98 61.50 2k4w s VAL 99 Cb -0.26 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 2k4w s VAL 99 CO 0.33 0.35 0.95 0.54 0.00 0.00 0.00 175.10 177.26 2k4w s ASN 100 N -0.54 6.10 0.66 3.32 6.03 0.16 -4.16 114.94 126.51 2k4w s ASN 100 Ca 0.07 1.16 0.30 0.00 -1.03 0.00 0.00 52.86 53.36 2k4w s ASN 100 Cb -0.07 -2.27 1.63 0.00 -3.03 0.00 0.00 41.25 37.51 2k4w s ASN 100 CO -0.00 -0.85 1.92 -0.55 -2.03 0.00 0.00 177.10 175.60 2k4w h ASN 101 N -0.17 0.00 -0.09 3.54 7.08 -1.88 -0.35 115.58 123.71 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 1.21 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.45 2k4w h ASN 101 CO 0.62 0.00 0.00 0.47 -2.08 0.00 0.00 177.43 176.44 2k4w n ASP 102 N -2.94 0.91 0.00 6.14 8.00 -1.26 -4.81 116.55 122.58 2k4w n ASP 102 Ca -0.01 -1.59 0.00 0.00 0.71 0.00 0.00 54.79 53.89 2k4w n ASP 102 Cb 0.39 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 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 0.97 0.47 3.23 0.44 0.00 -0.14 -4.85 105.19 105.31 2k4w n GLY 103 Ca 0.15 -0.92 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 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 1.89 0.06 -0.61 1.01 -1.23 -0.85 121.20 119.47 2k4w s ILE 104 Ca 0.00 -0.98 0.01 0.00 0.00 0.00 0.00 60.65 59.68 2k4w s ILE 104 Cb 0.00 -1.60 -0.04 0.00 0.01 0.00 0.00 42.46 40.83 2k4w s ILE 104 CO 0.00 0.53 0.15 0.00 0.00 0.00 0.00 174.94 175.62 2k4w s ALA 105 N -0.12 3.81 0.00 9.38 0.00 0.42 -0.66 121.76 134.58 2k4w s ALA 105 Ca -0.03 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.02 2k4w s ALA 105 Cb -0.13 -1.66 0.00 0.00 0.00 0.00 0.00 23.12 21.33 2k4w s ALA 105 CO 0.03 0.79 0.00 -2.37 0.00 0.00 0.00 175.76 174.21 2k4w n THR 106 N 0.43 0.00 -2.16 0.00 5.66 -1.25 -3.70 114.28 113.27 2k4w n THR 106 Ca -0.07 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.51 2k4w n THR 106 Cb 0.51 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.27 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 -1.00 4.23 0.18 1.09 0.41 -1.26 -4.52 118.70 117.83 2k4w s GLU 107 Ca 0.00 2.02 -0.30 0.00 -0.41 0.00 0.00 54.97 56.28 2k4w s GLU 107 Cb 0.00 -3.76 -0.08 0.00 -1.78 0.00 0.00 34.13 28.51 2k4w s GLU 107 CO 0.00 -0.71 1.04 -1.25 -0.49 0.00 0.00 175.26 173.85 2k4w s PRO 108 N 3.22 4.67 -0.41 0.39 0.04 -1.26 -4.43 135.00 137.22 2k4w s PRO 108 Ca 0.66 1.63 0.06 0.00 0.04 0.00 0.00 61.00 63.39 2k4w s PRO 108 Cb -0.31 -3.29 0.22 0.00 0.04 0.00 0.00 34.50 31.16 2k4w s PRO 108 CO 0.26 0.20 0.45 1.33 0.04 0.00 0.00 177.00 179.28 2k4w n VAL 109 N 2.18 -0.82 -1.72 -0.36 0.24 0.10 -4.95 118.33 113.01 2k4w n VAL 109 Ca 0.01 -3.80 -0.43 0.00 -2.04 0.00 0.00 64.34 58.09 2k4w n VAL 109 Cb 0.47 -1.84 -0.01 0.00 -1.47 0.00 0.00 33.84 30.99 2k4w n VAL 109 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2k4w n THR 110 N 2.00 1.53 -3.58 3.34 -1.04 -1.26 -4.14 114.28 111.14 2k4w n THR 110 Ca 0.25 -0.38 -0.40 0.00 -2.04 0.00 0.00 64.05 61.47 2k4w n THR 110 Cb 0.50 -1.71 -0.08 0.00 -1.82 0.00 0.00 70.33 67.22 2k4w n THR 110 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2k4w s ALA 111 N -0.61 3.45 -2.00 2.41 0.00 -0.31 -4.86 121.76 119.84 2k4w s ALA 111 Ca 0.60 -2.69 0.15 0.00 0.00 0.00 0.00 51.96 50.02 2k4w s ALA 111 Cb -0.55 -2.82 0.88 0.00 0.00 0.00 0.00 23.12 20.63 2k4w s ALA 111 CO 0.57 -1.95 1.39 -0.35 0.00 0.00 0.00 175.76 175.41 2k4w n PRO 112 N 4.63 0.73 0.15 0.00 -0.04 -1.18 -1.64 135.00 137.66 2k4w n PRO 112 Ca -0.04 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.55 2k4w n PRO 112 Cb 0.41 -1.32 0.40 0.00 -0.04 0.00 0.00 33.50 32.96 2k4w n PRO 112 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k4w h ARG 113 N 0.00 0.00 0.00 0.54 2.47 -1.89 -3.44 114.38 112.06 2k4w h ARG 113 Ca 0.00 0.00 -0.64 0.00 -1.26 0.00 0.00 59.98 58.08 2k4w h ARG 113 Cb 0.00 0.00 -0.12 0.00 -1.65 0.00 0.00 29.97 28.20 2k4w h ARG 113 CO 0.00 0.00 -0.47 1.28 0.56 0.00 0.00 179.97 181.34 2k4w n LEU 114 N -2.50 0.00 -0.04 3.04 4.32 -1.24 -4.97 117.00 115.61 2k4w n LEU 114 Ca 0.04 -3.15 -0.09 0.00 -0.02 0.00 0.00 56.01 52.79 2k4w n LEU 114 Cb 0.40 0.45 -0.03 0.00 -1.62 0.00 0.00 43.42 42.61 2k4w n LEU 114 CO 0.29 -0.45 -0.64 0.29 -1.22 0.00 0.00 177.39 175.65 2k4w n LYS 115 N -1.21 0.22 -4.38 3.23 4.01 -1.26 -4.11 118.16 114.66 2k4w n LYS 115 Ca -0.19 0.09 -0.19 0.00 -0.51 0.00 0.00 58.31 57.51 2k4w n LYS 115 Cb 0.63 -0.87 -0.10 0.00 -0.51 0.00 0.00 35.03 34.18 2k4w n LYS 115 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 2k4w s SER 116 N -5.97 2.47 0.16 4.39 0.01 -1.26 -3.49 113.70 110.01 2k4w s SER 116 Ca -0.14 -1.14 -0.02 0.00 1.31 0.00 0.00 55.95 55.96 2k4w s SER 116 Cb 0.04 -0.11 0.02 0.00 0.21 0.00 0.00 66.02 66.18 2k4w s SER 116 CO 0.18 -0.33 1.40 0.25 0.41 0.00 0.00 173.24 175.15 2k4w h LEU 117 N 2.42 0.47 -1.42 2.44 5.85 -1.95 -3.27 115.31 119.84 2k4w h LEU 117 Ca -0.39 -0.33 0.12 0.00 0.84 0.00 0.00 57.88 58.12 2k4w h LEU 117 Cb 1.23 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 42.06 2k4w h LEU 117 CO 0.65 1.09 0.51 -2.24 -0.34 0.00 0.00 178.44 178.11 2k4w h ASP 118 N 0.25 0.57 0.27 1.25 2.03 -1.99 -0.54 116.42 118.26 2k4w h ASP 118 Ca -0.04 0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.28 2k4w h ASP 118 Cb 1.38 -0.09 0.00 0.00 -0.83 0.00 0.00 39.33 39.79 2k4w h ASP 118 CO 0.13 0.32 0.00 -1.84 -1.03 0.00 0.00 179.24 176.82 2k4w n GLU 119 N -4.51 0.59 0.00 4.15 0.28 -1.23 -3.32 120.64 116.61 2k4w n GLU 119 Ca 0.14 0.02 0.00 0.00 -0.16 0.00 0.00 57.16 57.16 2k4w n GLU 119 Cb 0.40 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.77 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 -1.16 0.54 0.03 3.84 0.24 -0.29 -4.90 118.33 116.63 2k4w n VAL 120 Ca 0.16 -0.61 0.02 0.00 -2.04 0.00 0.00 64.34 61.87 2k4w n VAL 120 Cb 0.16 0.80 0.08 0.00 -1.47 0.00 0.00 33.84 33.41 2k4w n VAL 120 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 2k4w n LYS 121 N -0.27 0.02 -0.44 7.34 2.85 -0.74 -2.35 118.16 124.56 2k4w n LYS 121 Ca 0.00 0.52 0.00 0.00 -1.05 0.00 0.00 58.31 57.78 2k4w n LYS 121 Cb 0.28 -1.56 0.00 0.00 -0.65 0.00 0.00 35.03 33.09 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 -1.61 0.00 -0.07 -5.58 2.03 -1.26 -3.73 116.55 106.33 2k4w n ASP 122 Ca -0.00 -1.58 0.00 0.00 0.52 0.00 0.00 54.79 53.73 2k4w n ASP 122 Cb 0.01 -0.12 0.00 0.00 -0.72 0.00 0.00 41.12 40.29 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 0.00 3.00 -4.02 -0.67 5.02 -0.99 -2.27 118.16 118.23 2k4w n LYS 123 Ca 0.00 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.21 2k4w n LYS 123 Cb 0.62 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.54 2k4w n LYS 123 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k4w s ALA 124 N -2.00 0.29 0.10 7.82 0.00 -0.49 -0.72 121.76 126.77 2k4w s ALA 124 Ca 0.00 -1.04 0.07 0.00 0.00 0.00 0.00 51.96 51.00 2k4w s ALA 124 Cb 0.00 0.42 -0.04 0.00 0.00 0.00 0.00 23.12 23.50 2k4w s ALA 124 CO 0.00 -0.44 -0.12 -0.51 0.00 0.00 0.00 175.76 174.70 2k4w s LEU 125 N -2.92 2.97 -0.03 0.00 1.43 -0.26 -1.51 118.68 118.35 2k4w s LEU 125 Ca 0.08 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 2k4w s LEU 125 Cb 0.07 -1.77 0.03 0.00 0.03 0.00 0.00 46.19 44.55 2k4w s LEU 125 CO -0.09 0.18 0.00 -0.04 0.23 0.00 0.00 176.35 176.64 2k4w s MET 126 N -2.16 0.32 -0.49 1.70 -1.94 -0.81 -1.08 119.30 114.85 2k4w s MET 126 Ca 0.20 0.09 -0.24 0.00 -1.71 0.00 0.00 55.69 54.04 2k4w s MET 126 Cb -0.11 -0.55 0.03 0.00 2.01 0.00 0.00 34.83 36.22 2k4w s MET 126 CO 0.13 -0.16 0.88 0.42 -0.01 0.00 0.00 175.02 176.27 2k4w s ILE 127 N 1.19 4.51 0.19 2.53 1.01 0.17 -2.61 121.20 128.20 2k4w s ILE 127 Ca -0.07 0.46 -0.19 0.00 0.00 0.00 0.00 60.65 60.85 2k4w s ILE 127 Cb -0.13 -4.43 -0.08 0.00 0.01 0.00 0.00 42.46 37.83 2k4w s ILE 127 CO -0.02 -0.89 0.68 -1.00 0.00 0.00 0.00 174.94 173.71 2k4w s HIS 128 N 3.64 3.66 0.13 3.97 3.76 0.05 -0.39 115.29 130.11 2k4w s HIS 128 Ca 0.32 1.31 -0.15 0.00 -0.15 0.00 0.00 55.06 56.40 2k4w s HIS 128 Cb -0.12 -2.56 -0.01 0.00 1.11 0.00 0.00 32.58 31.01 2k4w s HIS 128 CO 0.22 0.38 1.60 0.28 -0.85 0.00 0.00 174.74 176.37 2k4w h VAL 129 N 2.82 1.25 -1.55 -0.90 2.07 -1.18 -2.99 116.25 115.78 2k4w h VAL 129 Ca -0.48 -0.93 -0.44 0.00 0.82 0.00 0.00 66.70 65.67 2k4w h VAL 129 Cb 1.19 1.04 0.03 0.00 -1.52 0.00 0.00 31.29 32.03 2k4w h VAL 129 CO 0.65 0.32 -0.17 -0.83 0.02 0.00 0.00 177.57 177.56 2k4w s GLY 130 N -3.25 1.88 0.96 2.17 0.00 -1.26 -4.78 107.32 103.03 2k4w s GLY 130 Ca -0.13 -1.70 -0.12 0.00 0.00 0.00 0.00 44.72 42.77 2k4w s GLY 130 CO 0.79 -1.43 0.69 0.61 0.00 0.00 0.00 173.10 173.76 2k4w n GLY 131 N -2.06 -1.43 0.31 0.20 0.00 -1.26 -0.56 105.19 100.39 2k4w n GLY 131 Ca 0.10 -0.76 -0.08 0.00 0.00 0.00 0.00 46.02 45.28 2k4w n GLY 131 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2k4w h ASP 132 N -1.77 1.04 0.00 1.61 1.82 -1.86 -3.42 116.42 113.86 2k4w h ASP 132 Ca -0.45 -0.25 0.00 0.00 -0.39 0.00 0.00 57.03 55.95 2k4w h ASP 132 Cb 1.28 -0.28 0.00 0.00 0.68 0.00 0.00 39.33 41.02 2k4w h ASP 132 CO 0.38 1.03 0.00 -0.46 -1.61 0.00 0.00 179.24 178.57 2k4w n ASN 133 N -4.25 3.77 -4.69 2.28 6.94 -1.26 -4.85 115.26 113.20 2k4w n ASN 133 Ca 0.04 -1.99 -0.31 0.00 -0.02 0.00 0.00 54.58 52.31 2k4w n ASN 133 Cb 0.27 -0.76 -0.08 0.00 -2.36 0.00 0.00 39.78 36.85 2k4w n ASN 133 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 2k4w s MET 134 N 0.32 2.63 0.00 -3.83 -1.94 -1.26 -4.84 119.30 110.38 2k4w s MET 134 Ca 0.00 -0.76 0.00 0.00 -1.71 0.00 0.00 55.69 53.22 2k4w s MET 134 Cb 0.00 -2.58 0.00 0.00 2.01 0.00 0.00 34.83 34.26 2k4w s MET 134 CO 0.00 0.57 0.00 0.45 -0.01 0.00 0.00 175.02 176.03 2k4w n SER 135 N 0.85 2.13 -4.19 3.03 2.88 -1.26 -4.78 113.62 112.28 2k4w n SER 135 Ca -0.12 0.00 -0.59 0.00 -1.33 0.00 0.00 58.87 56.83 2k4w n SER 135 Cb 0.52 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.87 2k4w n SER 135 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2k4w n ASP 136 N 0.00 0.79 -3.65 -3.46 9.92 -1.26 -4.30 116.55 114.59 2k4w n ASP 136 Ca 0.00 0.73 -0.10 0.00 -0.53 0.00 0.00 54.79 54.89 2k4w n ASP 136 Cb 0.00 -0.87 -0.04 0.00 -0.64 0.00 0.00 41.12 39.57 2k4w n ASP 136 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 2k4w s GLN 137 N 5.36 1.14 0.00 -1.24 -0.21 -1.26 -5.05 119.66 118.41 2k4w s GLN 137 Ca 1.14 -0.73 0.00 0.00 0.02 0.00 0.00 55.36 55.79 2k4w s GLN 137 Cb -1.45 0.48 0.00 0.00 1.00 0.00 0.00 33.01 33.04 2k4w s GLN 137 CO 0.66 -0.46 0.47 -0.35 -2.12 0.00 0.00 175.29 173.50 2k4w n PRO 138 N -0.26 0.54 -4.40 2.91 -0.04 -1.26 -4.68 135.00 127.81 2k4w n PRO 138 Ca -0.15 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.12 2k4w n PRO 138 Cb 0.64 -1.07 -0.15 0.00 -0.04 0.00 0.00 33.50 32.88 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 -1.75 0.80 0.66 0.54 1.02 -1.26 -5.13 119.74 114.62 2k4w s LYS 139 Ca 0.00 -0.40 -0.17 0.00 0.02 0.00 0.00 55.97 55.42 2k4w s LYS 139 Cb 0.00 -0.77 0.00 0.00 -0.52 0.00 0.00 37.83 36.54 2k4w s LYS 139 CO 0.00 0.21 1.24 -1.25 -0.92 0.00 0.00 175.35 174.63 2k4w s PRO 140 N -0.35 2.51 -1.92 -1.68 0.04 -1.26 -3.25 135.00 129.08 2k4w s PRO 140 Ca 0.03 1.88 0.00 0.00 0.04 0.00 0.00 61.00 62.95 2k4w s PRO 140 Cb -0.04 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.63 2k4w s PRO 140 CO -0.00 -1.58 0.00 -0.11 0.04 0.00 0.00 177.00 175.34 2k4w n LEU 141 N -2.14 -1.39 -0.24 -3.56 0.00 -1.26 -1.61 117.00 106.80 2k4w n LEU 141 Ca 0.14 0.41 -0.03 0.00 0.00 0.00 0.00 56.01 56.53 2k4w n LEU 141 Cb 0.49 -2.61 -0.01 0.00 0.00 0.00 0.00 43.42 41.29 2k4w n LEU 141 CO 0.46 -0.88 -0.03 0.61 0.00 0.00 0.00 177.39 177.56 2k4w n GLY 142 N -0.42 0.62 4.88 -3.96 0.00 -1.20 -3.51 105.19 101.60 2k4w n GLY 142 Ca -0.19 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.20 1.29 0.44 -0.02 0.00 -0.64 -4.62 105.19 99.44 2k4w n GLY 143 Ca -0.03 0.00 0.00 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 0.00 1.11 0.29 -0.02 0.00 -1.26 -4.23 105.19 101.09 2k4w n GLY 144 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.21 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 4.77 0.00 -2.92 -0.02 0.00 -1.83 -3.41 103.07 99.67 2k4w h GLY 145 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 2k4w h GLY 145 CO 0.00 0.00 0.55 -0.51 0.00 0.00 0.00 176.54 176.58 2k4w s THR 146 N -3.79 2.71 -0.02 4.70 -4.23 -1.26 -4.95 115.64 108.79 2k4w s THR 146 Ca -0.01 0.56 0.03 0.00 -1.18 0.00 0.00 61.69 61.09 2k4w s THR 146 Cb 0.10 -3.30 -0.00 0.00 1.34 0.00 0.00 72.50 70.64 2k4w s THR 146 CO 0.50 0.02 -0.11 0.00 -0.54 0.00 0.00 174.62 174.49 2k4w s ARG 147 N -2.63 1.06 0.12 3.99 3.03 -1.26 -0.77 118.95 122.48 2k4w s ARG 147 Ca 0.64 -0.37 -0.07 0.00 2.03 0.00 0.00 55.73 57.96 2k4w s ARG 147 Cb -0.34 -0.98 -0.13 0.00 -1.03 0.00 0.00 34.95 32.47 2k4w s ARG 147 CO 0.42 0.16 1.28 -0.92 -1.13 0.00 0.00 175.30 175.11 2k4w h TYR 148 N 6.24 0.75 -3.74 5.89 3.20 -0.99 -3.42 116.97 124.90 2k4w h TYR 148 Ca -0.33 -0.40 -0.14 0.00 3.14 0.00 0.00 58.73 61.00 2k4w h TYR 148 Cb 1.17 -0.09 -0.19 0.00 1.54 0.00 0.00 36.73 39.16 2k4w h TYR 148 CO 0.43 1.22 -0.55 0.00 -1.64 0.00 0.00 178.16 177.62 2k4w s ALA 149 N -3.33 -0.11 0.09 1.82 0.00 -1.15 -1.34 121.76 117.74 2k4w s ALA 149 Ca -0.07 -0.42 0.10 0.00 0.00 0.00 0.00 51.96 51.57 2k4w s ALA 149 Cb 0.08 0.18 -0.03 0.00 0.00 0.00 0.00 23.12 23.35 2k4w s ALA 149 CO 0.88 -0.25 -0.25 0.00 0.00 0.00 0.00 175.76 176.14 2k4w s GLY 151 N -1.70 0.88 0.29 0.00 0.00 -0.24 -1.38 107.32 105.17 2k4w s GLY 151 Ca 0.11 -1.82 -0.30 0.00 0.00 0.00 0.00 44.72 42.71 2k4w s GLY 151 CO 0.04 2.04 1.57 0.54 0.00 0.00 0.00 173.10 177.29 2k4w s VAL 152 N 1.15 2.16 0.15 1.40 0.11 -1.26 -1.10 120.40 123.00 2k4w s VAL 152 Ca 0.17 0.13 -0.02 0.00 -2.93 0.00 0.00 61.98 59.33 2k4w s VAL 152 Cb -0.22 -3.09 -0.05 0.00 -1.53 0.00 0.00 36.38 31.50 2k4w s VAL 152 CO -0.04 0.02 0.35 -0.63 -3.33 0.00 0.00 175.10 171.47 2k4w s ILE 153 N -0.01 5.23 0.00 7.04 1.01 0.10 -4.61 121.20 129.97 2k4w s ILE 153 Ca 0.63 -0.22 0.00 0.00 0.00 0.00 0.00 60.65 61.05 2k4w s ILE 153 Cb -0.47 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.33 2k4w s ILE 153 CO 0.47 -0.03 0.38 0.29 0.00 0.00 0.00 174.94 176.06