#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 -0.57 -0.10 0.00 0.01 -1.26 -0.13 113.70 111.64 2k4w s SER 2 Ca 0.00 1.08 -0.24 0.00 1.31 0.00 0.00 55.95 58.11 2k4w s SER 2 Cb 0.00 1.10 0.05 0.00 0.21 0.00 0.00 66.02 67.38 2k4w s SER 2 CO 0.00 -0.21 0.56 -0.70 0.41 0.00 0.00 173.24 173.30 2k4w s GLU 3 N 0.20 0.84 -0.26 12.44 2.56 0.32 -4.99 118.70 129.80 2k4w s GLU 3 Ca -0.01 0.36 -0.06 0.00 0.00 0.00 0.00 54.97 55.27 2k4w s GLU 3 Cb -0.04 0.39 0.00 0.00 2.00 0.00 0.00 34.13 36.49 2k4w s GLU 3 CO 0.01 -0.21 0.03 -1.59 -0.56 0.00 0.00 175.26 172.95 2k4w s LYS 4 N -0.68 3.23 -0.25 4.30 -2.85 -1.26 -0.31 119.74 121.91 2k4w s LYS 4 Ca -0.08 -0.75 -0.09 0.00 -1.00 0.00 0.00 55.97 54.06 2k4w s LYS 4 Cb -0.03 -3.24 -0.04 0.00 -2.06 0.00 0.00 37.83 32.47 2k4w s LYS 4 CO 0.05 -0.34 0.11 0.08 0.10 0.00 0.00 175.35 175.36 2k4w s VAL 5 N 1.49 4.70 -0.50 1.79 1.01 -0.46 -4.95 120.40 123.48 2k4w s VAL 5 Ca 0.04 -0.04 -0.27 0.00 0.00 0.00 0.00 61.98 61.71 2k4w s VAL 5 Cb -0.16 -3.21 0.03 0.00 0.00 0.00 0.00 36.38 33.04 2k4w s VAL 5 CO 0.01 0.32 1.04 -0.83 0.00 0.00 0.00 175.10 175.64 2k4w s GLY 6 N 1.54 1.34 0.04 4.51 0.00 -1.26 -0.86 107.32 112.64 2k4w s GLY 6 Ca 0.06 -0.77 -0.18 0.00 0.00 0.00 0.00 44.72 43.83 2k4w s GLY 6 CO 0.06 2.24 0.52 1.06 0.00 0.00 0.00 173.10 176.98 2k4w s MET 7 N 4.23 4.14 0.06 2.90 -1.94 -0.66 -4.65 119.30 123.38 2k4w s MET 7 Ca 0.40 0.64 0.07 0.00 -1.71 0.00 0.00 55.69 55.09 2k4w s MET 7 Cb -0.09 -3.25 -0.03 0.00 2.01 0.00 0.00 34.83 33.47 2k4w s MET 7 CO 0.27 0.61 -0.16 1.21 -0.01 0.00 0.00 175.02 176.94 2k4w s ASN 8 N -0.96 3.93 -1.58 3.03 3.84 0.47 -3.31 114.94 120.37 2k4w s ASN 8 Ca 0.28 -0.43 -0.11 0.00 0.21 0.00 0.00 52.86 52.81 2k4w s ASN 8 Cb -0.18 -0.65 -0.05 0.00 -0.55 0.00 0.00 41.25 39.81 2k4w s ASN 8 CO 0.17 0.24 2.74 0.18 -2.79 0.00 0.00 177.10 177.64 2k4w n LEU 9 N 1.34 8.19 -4.58 3.21 4.77 0.31 -1.83 117.00 128.40 2k4w n LEU 9 Ca -0.16 -4.30 -0.40 0.00 -0.03 0.00 0.00 56.01 51.12 2k4w n LEU 9 Cb 0.52 -1.59 -0.03 0.00 -2.33 0.00 0.00 43.42 39.99 2k4w n LEU 9 CO 0.28 1.78 1.85 0.68 -1.33 0.00 0.00 177.39 180.65 2k4w s VAL 10 N 2.49 3.09 -0.50 4.08 -7.23 -1.26 -4.72 120.40 116.35 2k4w s VAL 10 Ca 0.63 0.08 0.06 0.00 -1.81 0.00 0.00 61.98 60.94 2k4w s VAL 10 Cb 0.17 -3.16 0.22 0.00 0.56 0.00 0.00 36.38 34.17 2k4w s VAL 10 CO -0.07 -0.12 0.54 1.07 -0.31 0.00 0.00 175.10 176.21 2k4w n THR 11 N 7.77 0.29 0.00 5.32 5.66 -1.24 -4.88 114.28 127.20 2k4w n THR 11 Ca 0.31 -4.32 0.00 0.00 -3.05 0.00 0.00 64.05 56.99 2k4w n THR 11 Cb 0.49 -1.96 0.00 0.00 -1.55 0.00 0.00 70.33 67.31 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 1.62 0.00 0.54 1.79 0.00 -1.26 -4.36 120.51 118.84 2k4w n ALA 12 Ca 0.25 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.80 2k4w n ALA 12 Cb 0.47 0.00 0.44 0.00 0.00 0.00 0.00 19.45 20.35 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 0.12 0.00 0.00 3.00 -1.26 -4.79 117.38 114.45 2k4w n GLN 13 Ca 0.00 0.28 0.00 0.00 -0.01 0.00 0.00 57.00 57.27 2k4w n GLN 13 Cb 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 30.24 28.54 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 0.37 -0.85 3.74 1.08 0.00 -1.26 -5.01 105.19 103.26 2k4w n GLY 14 Ca 0.04 -2.15 -0.42 0.00 0.00 0.00 0.00 46.02 43.49 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 2.32 0.00 1.61 1.01 -1.26 -3.65 120.40 120.44 2k4w s VAL 15 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.25 2k4w s VAL 15 Cb 0.00 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.21 2k4w s VAL 15 CO 0.00 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.75 2k4w n GLY 16 N 2.42 -0.87 3.73 4.51 0.00 -1.26 -5.05 105.19 108.67 2k4w n GLY 16 Ca 0.09 0.30 -0.35 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 4.10 -0.09 1.61 0.74 -1.26 -4.95 119.66 119.80 2k4w s GLN 17 Ca 0.00 -0.23 -0.02 0.00 0.05 0.00 0.00 55.36 55.17 2k4w s GLN 17 Cb 0.00 -3.37 -0.03 0.00 1.10 0.00 0.00 33.01 30.71 2k4w s GLN 17 CO 0.00 0.34 -0.02 0.45 -0.55 0.00 0.00 175.29 175.51 2k4w s SER 18 N 0.24 5.01 0.00 6.67 0.15 -1.26 -0.53 113.70 123.98 2k4w s SER 18 Ca 0.08 0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.78 2k4w s SER 18 Cb -0.11 -1.45 0.00 0.00 -1.71 0.00 0.00 66.02 62.75 2k4w s SER 18 CO -0.01 0.33 0.00 -0.38 1.20 0.00 0.00 173.24 174.38 2k4w n ILE 19 N 2.43 0.00 -3.58 6.45 2.08 -1.21 -5.01 119.36 120.52 2k4w n ILE 19 Ca -0.18 -0.13 -0.05 0.00 0.56 0.00 0.00 62.75 62.95 2k4w n ILE 19 Cb 0.53 0.59 -0.02 0.00 -0.75 0.00 0.00 39.64 39.99 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 -1.23 -0.29 0.72 7.39 0.00 -1.26 -3.92 107.32 108.74 2k4w s GLY 20 Ca 0.00 1.63 -0.04 0.00 0.00 0.00 0.00 44.72 46.30 2k4w s GLY 20 CO 0.00 0.59 1.01 -0.51 0.00 0.00 0.00 173.10 174.19 2k4w s THR 21 N -2.32 2.25 -0.07 0.90 -4.23 -1.26 -1.65 115.64 109.25 2k4w s THR 21 Ca 0.08 -0.42 0.05 0.00 -1.18 0.00 0.00 61.69 60.22 2k4w s THR 21 Cb -0.01 -2.83 -0.00 0.00 1.34 0.00 0.00 72.50 70.99 2k4w s THR 21 CO -0.05 0.00 -0.23 -0.69 -0.54 0.00 0.00 174.62 173.11 2k4w s VAL 22 N -3.22 1.94 -0.13 2.29 1.01 -0.04 -3.14 120.40 119.12 2k4w s VAL 22 Ca 0.64 -0.98 -0.20 0.00 0.00 0.00 0.00 61.98 61.44 2k4w s VAL 22 Cb -0.08 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 2k4w s VAL 22 CO 0.45 0.54 0.55 0.54 0.00 0.00 0.00 175.10 177.17 2k4w s VAL 23 N 0.10 5.13 -0.37 2.92 0.11 -0.20 -1.36 120.40 126.72 2k4w s VAL 23 Ca -0.10 1.08 -0.02 0.00 -2.93 0.00 0.00 61.98 60.01 2k4w s VAL 23 Cb -0.15 -3.88 0.10 0.00 -1.53 0.00 0.00 36.38 30.91 2k4w s VAL 23 CO 0.06 0.26 0.14 -0.63 -3.33 0.00 0.00 175.10 171.59 2k4w s ILE 24 N 1.01 3.07 -0.31 7.04 1.01 0.58 -0.63 121.20 132.97 2k4w s ILE 24 Ca 0.28 -1.95 -0.11 0.00 0.00 0.00 0.00 60.65 58.87 2k4w s ILE 24 Cb -0.16 -3.05 -0.02 0.00 0.01 0.00 0.00 42.46 39.23 2k4w s ILE 24 CO 0.12 -0.55 0.19 -0.62 0.00 0.00 0.00 174.94 174.08 2k4w s ASP 25 N 1.56 5.84 -0.19 3.58 -1.08 -0.33 -0.52 116.67 125.54 2k4w s ASP 25 Ca 0.06 -0.32 -0.27 0.00 -0.52 0.00 0.00 52.55 51.49 2k4w s ASP 25 Cb -0.22 -2.08 -0.00 0.00 -1.46 0.00 0.00 42.92 39.16 2k4w s ASP 25 CO -0.04 -0.16 0.94 -0.70 0.52 0.00 0.00 175.17 175.74 2k4w s GLU 26 N 1.70 4.29 0.33 4.34 -6.30 0.81 -0.50 118.70 123.37 2k4w s GLU 26 Ca 0.06 1.21 0.02 0.00 -2.50 0.00 0.00 54.97 53.76 2k4w s GLU 26 Cb -0.17 -3.60 -0.01 0.00 0.00 0.00 0.00 34.13 30.34 2k4w s GLU 26 CO 0.09 -0.47 0.37 -0.08 0.02 0.00 0.00 175.26 175.19 2k4w s THR 27 N 2.63 0.00 0.35 -1.70 -1.32 0.10 -0.72 115.64 114.98 2k4w s THR 27 Ca 0.42 -1.79 0.15 0.00 -1.21 0.00 0.00 61.69 59.26 2k4w s THR 27 Cb -0.16 -2.57 0.12 0.00 -1.51 0.00 0.00 72.50 68.37 2k4w s THR 27 CO 0.10 0.00 1.84 -0.08 -2.21 0.00 0.00 174.62 174.27 2k4w h GLU 28 N 2.14 0.00 -0.50 7.08 4.22 -1.96 0.12 114.58 125.68 2k4w h GLU 28 Ca -0.27 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.17 2k4w h GLU 28 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2k4w h GLU 28 CO 0.38 0.35 0.00 0.41 -2.18 0.00 0.00 179.01 177.97 2k4w n GLY 29 N -0.40 1.02 3.28 1.92 0.00 -1.26 -5.05 105.19 104.71 2k4w n GLY 29 Ca -0.02 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.38 3.56 -0.02 0.00 0.40 -2.77 105.19 106.68 2k4w n GLY 30 Ca 0.10 -1.51 -0.40 0.00 0.00 0.00 0.00 46.02 44.21 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 3.26 -0.60 0.99 1.43 -0.81 -0.73 118.68 122.23 2k4w s LEU 31 Ca 0.00 -0.00 -0.28 0.00 -1.03 0.00 0.00 54.13 52.82 2k4w s LEU 31 Cb 0.00 -2.67 0.03 0.00 0.03 0.00 0.00 46.19 43.58 2k4w s LEU 31 CO 0.00 -2.00 1.23 -0.75 0.23 0.00 0.00 176.35 175.07 2k4w s LYS 32 N 6.14 3.44 -0.32 1.70 2.20 0.34 -0.88 119.74 132.37 2k4w s LYS 32 Ca 0.50 0.22 -0.17 0.00 -0.36 0.00 0.00 55.97 56.15 2k4w s LYS 32 Cb -0.10 -4.05 -0.01 0.00 -1.51 0.00 0.00 37.83 32.15 2k4w s LYS 32 CO 0.19 -1.78 0.49 0.12 -0.36 0.00 0.00 175.35 174.01 2k4w s PHE 33 N 5.21 3.21 -0.22 4.03 5.36 0.69 -1.18 117.98 135.07 2k4w s PHE 33 Ca 0.43 0.29 0.01 0.00 -0.96 0.00 0.00 56.93 56.71 2k4w s PHE 33 Cb -0.08 -2.82 0.05 0.00 -0.34 0.00 0.00 43.02 39.83 2k4w s PHE 33 CO 0.24 -0.44 -0.10 0.99 -1.46 0.00 0.00 175.22 174.45 2k4w s THR 34 N 2.31 1.77 0.50 0.12 2.01 0.20 -1.17 115.64 121.38 2k4w s THR 34 Ca 0.18 -1.22 -0.07 0.00 0.31 0.00 0.00 61.69 60.90 2k4w s THR 34 Cb -0.16 -1.89 -0.04 0.00 0.01 0.00 0.00 72.50 70.43 2k4w s THR 34 CO 0.12 0.07 0.84 -2.16 -0.69 0.00 0.00 174.62 172.80 2k4w s PRO 35 N 1.32 3.58 -0.29 4.92 0.04 -1.26 -1.03 135.00 142.27 2k4w s PRO 35 Ca -0.04 0.35 0.18 0.00 0.04 0.00 0.00 61.00 61.53 2k4w s PRO 35 Cb -0.18 -2.31 0.45 0.00 0.04 0.00 0.00 34.50 32.50 2k4w s PRO 35 CO -0.07 -0.27 1.32 -2.39 0.04 0.00 0.00 177.00 175.63 2k4w n HIS 36 N -2.27 -0.40 -3.69 0.56 1.44 -1.19 -4.13 115.22 105.54 2k4w n HIS 36 Ca 0.02 -1.87 -0.36 0.00 -2.01 0.00 0.00 57.72 53.50 2k4w n HIS 36 Cb 0.55 0.66 -0.06 0.00 0.12 0.00 0.00 29.99 31.26 2k4w n HIS 36 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2k4w s LEU 37 N -3.81 4.40 -0.40 2.39 1.02 -1.12 -4.64 118.68 116.51 2k4w s LEU 37 Ca 0.18 0.68 0.01 0.00 0.02 0.00 0.00 54.13 55.02 2k4w s LEU 37 Cb 0.38 -2.55 0.13 0.00 0.02 0.00 0.00 46.19 44.17 2k4w s LEU 37 CO -0.09 0.30 0.21 -1.59 0.02 0.00 0.00 176.35 175.20 2k4w s LYS 38 N -1.42 1.10 0.00 1.70 0.00 -1.25 -0.98 119.74 118.88 2k4w s LYS 38 Ca 0.24 -1.76 0.00 0.00 0.00 0.00 0.00 55.97 54.45 2k4w s LYS 38 Cb -0.14 -2.17 0.00 0.00 0.00 0.00 0.00 37.83 35.52 2k4w s LYS 38 CO 0.13 -1.13 0.00 0.00 0.00 0.00 0.00 175.35 174.35 2k4w n ALA 39 N 3.84 0.00 -3.43 0.59 0.00 -0.03 -5.00 120.51 116.48 2k4w n ALA 39 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.39 2k4w n ALA 39 Cb 0.36 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.79 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 -0.55 0.36 0.00 2.01 -1.23 -4.99 118.68 114.28 2k4w s LEU 40 Ca 0.00 -0.00 -0.28 0.00 0.01 0.00 0.00 54.13 53.86 2k4w s LEU 40 Cb 0.00 2.53 -0.10 0.00 0.01 0.00 0.00 46.19 48.63 2k4w s LEU 40 CO 0.00 -0.93 1.40 -2.16 1.01 0.00 0.00 176.35 175.67 2k4w s PRO 41 N -3.68 4.19 -0.16 1.29 0.04 -1.26 -4.37 135.00 131.04 2k4w s PRO 41 Ca 0.01 2.39 0.01 0.00 0.04 0.00 0.00 61.00 63.46 2k4w s PRO 41 Cb -0.01 -2.99 0.21 0.00 0.04 0.00 0.00 34.50 31.76 2k4w s PRO 41 CO -0.13 -0.40 1.41 -0.35 0.04 0.00 0.00 177.00 177.58 2k4w n PRO 42 N 0.55 1.44 -4.00 0.56 -0.04 -1.26 -4.81 135.00 127.45 2k4w n PRO 42 Ca 0.01 -1.02 -0.23 0.00 -0.04 0.00 0.00 63.50 62.22 2k4w n PRO 42 Cb 0.41 -1.40 -0.05 0.00 -0.04 0.00 0.00 33.50 32.41 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 0.06 3.59 3.72 0.55 0.00 -1.26 -4.10 105.19 107.75 2k4w n GLY 43 Ca 0.20 -2.23 -0.42 0.00 0.00 0.00 0.00 46.02 43.57 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 -3.34 4.22 -0.07 1.61 8.01 -1.26 -4.42 118.70 123.46 2k4w s GLU 44 Ca 0.07 2.33 0.03 0.00 0.01 0.00 0.00 54.97 57.41 2k4w s GLU 44 Cb 0.00 -3.17 0.01 0.00 -4.31 0.00 0.00 34.13 26.66 2k4w s GLU 44 CO 0.05 -0.59 -0.17 -1.01 0.01 0.00 0.00 175.26 173.55 2k4w s HIS 45 N 1.16 1.83 0.96 1.61 3.76 -1.15 -2.88 115.29 120.58 2k4w s HIS 45 Ca 0.70 -0.67 -0.12 0.00 -0.15 0.00 0.00 55.06 54.82 2k4w s HIS 45 Cb -0.43 -1.27 0.17 0.00 1.11 0.00 0.00 32.58 32.15 2k4w s HIS 45 CO 0.31 -0.29 1.11 0.20 -0.85 0.00 0.00 174.74 175.22 2k4w s GLY 46 N 0.41 1.57 -0.12 -2.22 0.00 0.51 0.43 107.32 107.91 2k4w s GLY 46 Ca -0.13 -0.42 -0.03 0.00 0.00 0.00 0.00 44.72 44.14 2k4w s GLY 46 CO 0.05 0.17 0.05 -0.12 0.00 0.00 0.00 173.10 173.25 2k4w s PHE 47 N -3.09 0.43 0.32 1.90 5.36 -1.26 -0.87 117.98 120.77 2k4w s PHE 47 Ca 0.65 -0.25 0.10 0.00 -0.96 0.00 0.00 56.93 56.47 2k4w s PHE 47 Cb -0.17 -0.73 -0.06 0.00 -0.34 0.00 0.00 43.02 41.72 2k4w s PHE 47 CO 0.56 -0.41 -0.09 -1.01 -1.46 0.00 0.00 175.22 172.81 2k4w s HIS 48 N 2.05 2.43 0.03 10.12 3.76 -1.03 -0.98 115.29 131.66 2k4w s HIS 48 Ca 0.03 -0.42 -0.08 0.00 -0.15 0.00 0.00 55.06 54.44 2k4w s HIS 48 Cb -0.14 -1.29 -0.05 0.00 1.11 0.00 0.00 32.58 32.21 2k4w s HIS 48 CO -0.06 0.60 0.32 0.42 -0.85 0.00 0.00 174.74 175.16 2k4w s ILE 49 N -2.54 5.22 0.24 0.60 1.01 -0.22 -1.05 121.20 124.45 2k4w s ILE 49 Ca 0.32 0.30 0.11 0.00 0.00 0.00 0.00 60.65 61.39 2k4w s ILE 49 Cb -0.01 -3.60 -0.05 0.00 0.01 0.00 0.00 42.46 38.82 2k4w s ILE 49 CO 0.17 0.35 -0.19 -1.00 0.00 0.00 0.00 174.94 174.27 2k4w s HIS 50 N -1.32 2.35 0.36 3.97 3.76 -0.52 -4.37 115.29 119.52 2k4w s HIS 50 Ca 0.29 -0.32 0.38 0.00 -0.15 0.00 0.00 55.06 55.25 2k4w s HIS 50 Cb -0.14 -1.09 1.80 0.00 1.11 0.00 0.00 32.58 34.27 2k4w s HIS 50 CO 0.16 0.61 2.15 0.00 -0.85 0.00 0.00 174.74 176.81 2k4w h ALA 51 N 2.68 1.03 -4.16 -1.40 0.00 -0.70 -3.22 119.26 113.49 2k4w h ALA 51 Ca -0.43 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.19 2k4w h ALA 51 Cb 1.23 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.96 2k4w h ALA 51 CO 0.55 0.02 -0.23 0.09 0.00 0.00 0.00 179.25 179.67 2k4w n ASN 52 N -3.14 0.81 -2.61 0.00 3.02 0.47 -4.76 115.26 109.04 2k4w n ASN 52 Ca -0.01 -2.09 -0.19 0.00 -0.03 0.00 0.00 54.58 52.26 2k4w n ASN 52 Cb 0.21 0.58 0.01 0.00 -0.61 0.00 0.00 39.78 39.97 2k4w n ASN 52 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k4w n GLY 53 N 0.55 3.94 3.14 7.41 0.00 -0.98 -1.24 105.19 118.01 2k4w n GLY 53 Ca -0.02 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.92 2k4w n GLY 53 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k4w s SER 54 N -3.31 -0.99 0.00 1.61 0.15 -0.79 -4.90 113.70 105.48 2k4w s SER 54 Ca 0.39 0.79 0.02 0.00 0.70 0.00 0.00 55.95 57.84 2k4w s SER 54 Cb 0.42 1.93 0.09 0.00 -1.71 0.00 0.00 66.02 66.75 2k4w s SER 54 CO -0.08 -0.27 0.37 0.00 1.20 0.00 0.00 173.24 174.47 2k4w s GLN 56 N -2.00 4.56 0.34 0.00 -1.52 -1.26 -4.59 119.66 115.19 2k4w s GLN 56 Ca 0.02 1.16 -0.18 0.00 -1.95 0.00 0.00 55.36 54.41 2k4w s GLN 56 Cb 0.01 -3.21 -0.09 0.00 -0.22 0.00 0.00 33.01 29.49 2k4w s GLN 56 CO 0.02 0.54 0.81 -1.25 -0.25 0.00 0.00 175.29 175.16 2k4w s PRO 57 N -1.26 4.14 0.48 2.91 0.04 -1.25 -1.10 135.00 138.95 2k4w s PRO 57 Ca 0.37 0.86 -0.09 0.00 0.04 0.00 0.00 61.00 62.18 2k4w s PRO 57 Cb -0.23 -2.45 -0.05 0.00 0.04 0.00 0.00 34.50 31.81 2k4w s PRO 57 CO 0.26 0.15 0.84 0.00 0.04 0.00 0.00 177.00 178.29 2k4w s ALA 58 N -1.95 3.29 -0.36 8.56 0.00 -1.26 -4.87 121.76 125.18 2k4w s ALA 58 Ca 0.54 -0.24 -0.02 0.00 0.00 0.00 0.00 51.96 52.25 2k4w s ALA 58 Cb -0.11 -2.78 0.09 0.00 0.00 0.00 0.00 23.12 20.32 2k4w s ALA 58 CO 0.17 -0.27 0.11 0.42 0.00 0.00 0.00 175.76 176.20 2k4w s ILE 59 N -2.66 3.07 0.05 0.00 -1.09 -1.26 -1.45 121.20 117.85 2k4w s ILE 59 Ca 0.51 -1.85 0.00 0.00 -2.23 0.00 0.00 60.65 57.09 2k4w s ILE 59 Cb -0.10 -3.00 -0.04 0.00 -1.58 0.00 0.00 42.46 37.74 2k4w s ILE 59 CO 0.40 -0.47 0.17 -0.54 -1.23 0.00 0.00 174.94 173.26 2k4w s LYS 60 N 1.15 3.28 -1.60 2.79 1.02 -0.88 -4.82 119.74 120.67 2k4w s LYS 60 Ca 0.04 -0.49 -0.17 0.00 0.02 0.00 0.00 55.97 55.37 2k4w s LYS 60 Cb -0.21 -2.96 0.15 0.00 -0.52 0.00 0.00 37.83 34.29 2k4w s LYS 60 CO -0.03 0.61 0.72 -0.25 -0.92 0.00 0.00 175.35 175.47 2k4w n ASP 61 N 0.49 -3.27 -0.86 2.83 8.00 -1.26 -0.70 116.55 121.78 2k4w n ASP 61 Ca -0.07 -0.88 -0.09 0.00 0.71 0.00 0.00 54.79 54.46 2k4w n ASP 61 Cb 0.51 -2.69 -0.02 0.00 -0.02 0.00 0.00 41.12 38.90 2k4w n ASP 61 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k4w n GLY 62 N -1.31 0.49 3.37 0.44 0.00 -1.26 -5.02 105.19 101.90 2k4w n GLY 62 Ca 0.07 -0.57 -0.12 0.00 0.00 0.00 0.00 46.02 45.40 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 -3.66 1.11 -0.05 1.61 -2.07 0.12 -5.18 119.66 111.54 2k4w s GLN 63 Ca 0.00 -0.49 -0.12 0.00 -1.82 0.00 0.00 55.36 52.93 2k4w s GLN 63 Cb 0.00 0.50 -0.05 0.00 -1.09 0.00 0.00 33.01 32.37 2k4w s GLN 63 CO 0.00 -0.44 0.29 0.00 -1.32 0.00 0.00 175.29 173.83 2k4w s ALA 64 N -3.34 3.77 -1.54 2.60 0.00 -1.26 -2.08 121.76 119.90 2k4w s ALA 64 Ca -0.00 -0.40 0.05 0.00 0.00 0.00 0.00 51.96 51.61 2k4w s ALA 64 Cb 0.00 -2.21 0.19 0.00 0.00 0.00 0.00 23.12 21.10 2k4w s ALA 64 CO -0.09 0.53 1.03 1.33 0.00 0.00 0.00 175.76 178.56 2k4w n VAL 65 N 1.93 0.45 0.00 0.00 0.24 -0.53 -4.94 118.33 115.48 2k4w n VAL 65 Ca -0.16 -0.31 0.00 0.00 -2.04 0.00 0.00 64.34 61.83 2k4w n VAL 65 Cb 0.53 -0.08 0.00 0.00 -1.47 0.00 0.00 33.84 32.82 2k4w n VAL 65 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2k4w n ALA 66 N 0.12 0.00 -3.63 2.33 0.00 -1.26 -4.69 120.51 113.38 2k4w n ALA 66 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.41 2k4w n ALA 66 Cb 0.30 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.68 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 -1.94 0.01 0.00 0.00 -1.26 -3.92 121.76 114.66 2k4w s ALA 67 Ca 0.00 1.84 0.00 0.00 0.00 0.00 0.00 51.96 53.80 2k4w s ALA 67 Cb 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 23.12 21.85 2k4w s ALA 67 CO 0.00 -0.26 0.00 -1.91 0.00 0.00 0.00 175.76 173.59 2k4w n GLU 68 N 2.05 0.00 0.00 0.00 2.13 -0.26 -4.81 120.64 119.75 2k4w n GLU 68 Ca -0.13 0.00 0.08 0.00 0.66 0.00 0.00 57.16 57.77 2k4w n GLU 68 Cb 0.56 -0.44 0.47 0.00 0.27 0.00 0.00 31.44 32.30 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 -3.00 2.16 0.28 4.31 0.00 -1.23 -1.11 120.51 121.92 2k4w n ALA 69 Ca 0.00 -0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.46 2k4w n ALA 69 Cb 0.40 -1.26 0.14 0.00 0.00 0.00 0.00 19.45 18.73 2k4w n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k4w h ALA 70 N 3.01 0.78 -0.24 0.00 0.00 -1.35 -2.03 119.26 119.43 2k4w h ALA 70 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.93 2k4w h ALA 70 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2k4w h ALA 70 CO 0.00 0.00 -0.03 0.41 0.00 0.00 0.00 179.25 179.63 2k4w n GLY 71 N 1.18 -2.18 3.68 0.00 0.00 -0.27 -0.40 105.19 107.22 2k4w n GLY 71 Ca 0.03 -1.48 -0.30 0.00 0.00 0.00 0.00 46.02 44.27 2k4w n GLY 71 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k4w s GLY 72 N -2.14 1.66 0.00 -0.02 0.00 -1.26 -4.38 107.32 101.18 2k4w s GLY 72 Ca 0.00 -1.17 0.08 0.00 0.00 0.00 0.00 44.72 43.63 2k4w s GLY 72 CO 0.00 -0.25 0.89 1.42 0.00 0.00 0.00 173.10 175.16 2k4w n HIS 73 N -4.59 0.00 -2.51 1.90 8.25 -1.26 -0.78 115.22 116.22 2k4w n HIS 73 Ca 0.16 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.62 2k4w n HIS 73 Cb 0.60 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.71 2k4w n HIS 73 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2k4w n LEU 74 N -0.75 -7.01 -0.66 2.41 7.94 -1.26 -3.53 117.00 114.14 2k4w n LEU 74 Ca 0.06 1.16 -0.02 0.00 -1.11 0.00 0.00 56.01 56.10 2k4w n LEU 74 Cb 0.03 -2.96 -0.02 0.00 0.53 0.00 0.00 43.42 40.99 2k4w n LEU 74 CO 0.04 -2.65 0.28 -0.90 -1.11 0.00 0.00 177.39 173.05 2k4w n ASP 75 N 0.54 -0.31 0.28 1.96 5.68 -1.26 -1.99 116.55 121.46 2k4w n ASP 75 Ca 0.00 -1.31 0.13 0.00 -0.50 0.00 0.00 54.79 53.11 2k4w n ASP 75 Cb 0.02 0.09 0.82 0.00 -1.14 0.00 0.00 41.12 40.91 2k4w n ASP 75 CO 0.00 0.00 0.00 1.55 -1.33 0.00 0.00 177.20 177.42 2k4w h PRO 76 N 0.00 0.00 0.00 0.11 0.13 -1.97 -2.05 132.00 128.22 2k4w h PRO 76 Ca -0.18 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.93 2k4w h PRO 76 Cb 1.13 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.20 2k4w h PRO 76 CO -0.09 0.04 -0.43 1.04 -0.23 0.00 0.00 178.00 178.33 2k4w n GLN 77 N -3.91 0.59 -0.07 0.86 6.02 -1.26 -4.92 117.38 114.68 2k4w n GLN 77 Ca -0.03 -1.92 -0.06 0.00 -0.01 0.00 0.00 57.00 54.98 2k4w n GLN 77 Cb 0.13 -0.87 -0.03 0.00 1.02 0.00 0.00 30.24 30.50 2k4w n GLN 77 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 2k4w h ASN 78 N 0.27 0.00 0.00 1.08 -0.26 -1.66 -3.50 115.58 111.51 2k4w h ASN 78 Ca -0.04 -0.05 0.00 0.00 -0.56 0.00 0.00 56.30 55.65 2k4w h ASN 78 Cb 1.31 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.57 2k4w h ASN 78 CO 0.02 0.82 0.00 1.07 -1.06 0.00 0.00 177.43 178.28 2k4w n THR 79 N -4.60 0.00 -0.21 2.81 5.66 -1.25 -4.83 114.28 111.85 2k4w n THR 79 Ca -0.10 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.90 2k4w n THR 79 Cb 0.30 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.08 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 0.64 0.14 1.09 0.00 -1.04 -4.99 105.19 101.02 2k4w n GLY 80 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 2k4w n GLY 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k4w h LYS 81 N 4.45 0.03 0.00 1.61 1.79 -1.82 -3.48 116.57 119.14 2k4w h LYS 81 Ca 0.00 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 2k4w h LYS 81 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2k4w h LYS 81 CO 0.00 0.63 0.00 1.58 -1.08 0.00 0.00 179.45 180.58 2k4w n HIS 82 N -3.82 0.00 0.00 -1.35 -0.00 -1.26 -4.43 115.22 104.35 2k4w n HIS 82 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.71 2k4w n HIS 82 Cb 0.61 -0.17 0.00 0.00 -0.00 0.00 0.00 29.99 30.43 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 -0.50 0.00 0.00 1.57 -0.00 -1.26 -4.38 120.64 116.06 2k4w n GLU 83 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 2k4w n GLU 83 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.44 2k4w n GLU 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2k4w n GLY 84 N 0.00 3.68 0.00 -1.84 0.00 -1.26 -3.39 105.19 102.38 2k4w n GLY 84 Ca 0.00 -0.55 0.04 0.00 0.00 0.00 0.00 46.02 45.51 2k4w n GLY 84 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2k4w n PRO 85 N 0.00 3.61 0.00 1.61 -0.04 -1.26 -4.90 135.00 134.01 2k4w n PRO 85 Ca 0.00 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 2k4w n PRO 85 Cb 0.00 -0.96 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 2k4w n PRO 85 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2k4w n GLU 86 N -1.28 0.00 0.00 0.54 1.02 -1.26 -5.03 120.64 114.63 2k4w n GLU 86 Ca 0.01 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 2k4w n GLU 86 Cb 0.15 -0.36 0.00 0.00 -0.02 0.00 0.00 31.44 31.21 2k4w n GLU 86 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k4w n GLY 87 N 0.00 2.85 1.50 0.62 0.00 -1.26 -4.91 105.19 103.98 2k4w n GLY 87 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.99 0.82 0.00 1.61 0.00 -1.26 -4.35 117.38 112.22 2k4w n GLN 88 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 2k4w n GLN 88 Cb 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 30.24 29.15 2k4w n GLN 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2k4w n GLY 89 N 1.43 -0.55 3.01 1.69 0.00 -1.26 -4.51 105.19 105.00 2k4w n GLY 89 Ca 0.00 0.28 -0.12 0.00 0.00 0.00 0.00 46.02 46.19 2k4w n GLY 89 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k4w s HIS 90 N 0.00 -0.03 -0.68 1.61 3.76 -1.26 -2.51 115.29 116.18 2k4w s HIS 90 Ca 0.00 0.07 0.25 0.00 -0.15 0.00 0.00 55.06 55.24 2k4w s HIS 90 Cb 0.00 -0.01 0.88 0.00 1.11 0.00 0.00 32.58 34.55 2k4w s HIS 90 CO 0.00 -0.13 1.76 1.47 -0.85 0.00 0.00 174.74 176.99 2k4w n LEU 91 N 2.45 0.72 -0.09 0.89 -0.00 -1.12 -3.68 117.00 116.18 2k4w n LEU 91 Ca -0.16 0.60 0.11 0.00 -0.00 0.00 0.00 56.01 56.55 2k4w n LEU 91 Cb 0.58 -0.40 0.59 0.00 -0.00 0.00 0.00 43.42 44.19 2k4w n LEU 91 CO 0.22 -0.28 0.89 0.61 -0.00 0.00 0.00 177.39 178.83 2k4w n GLY 92 N 0.94 -0.80 3.72 1.47 0.00 -0.84 -4.87 105.19 104.81 2k4w n GLY 92 Ca 0.05 -0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.66 6.53 0.39 1.61 1.01 -1.24 -1.05 116.67 122.26 2k4w s ASP 93 Ca 0.32 0.63 0.08 0.00 0.71 0.00 0.00 52.55 54.28 2k4w s ASP 93 Cb 0.15 -2.23 -0.07 0.00 1.01 0.00 0.00 42.92 41.79 2k4w s ASP 93 CO 0.25 0.03 0.06 -0.76 0.21 0.00 0.00 175.17 174.96 2k4w s LEU 94 N 0.67 2.97 0.73 1.23 2.01 -0.16 -5.01 118.68 121.12 2k4w s LEU 94 Ca 0.21 -1.19 -0.10 0.00 0.01 0.00 0.00 54.13 53.05 2k4w s LEU 94 Cb -0.14 -1.17 0.05 0.00 0.01 0.00 0.00 46.19 44.94 2k4w s LEU 94 CO 0.07 -0.43 1.10 -2.16 1.01 0.00 0.00 176.35 175.94 2k4w s PRO 95 N -3.77 2.43 0.29 1.29 0.04 -1.26 -4.19 135.00 129.83 2k4w s PRO 95 Ca 0.37 0.18 -0.29 0.00 0.04 0.00 0.00 61.00 61.29 2k4w s PRO 95 Cb 0.06 -2.04 -0.10 0.00 0.04 0.00 0.00 34.50 32.45 2k4w s PRO 95 CO 0.20 -1.24 1.35 0.14 0.04 0.00 0.00 177.00 177.48 2k4w s VAL 96 N -3.39 2.74 -0.84 -0.36 -7.23 -1.26 -4.16 120.40 105.90 2k4w s VAL 96 Ca 0.59 0.69 -0.25 0.00 -1.81 0.00 0.00 61.98 61.20 2k4w s VAL 96 Cb -0.11 -3.44 0.02 0.00 0.56 0.00 0.00 36.38 33.41 2k4w s VAL 96 CO 0.49 0.14 1.51 -0.22 -0.31 0.00 0.00 175.10 176.71 2k4w s LEU 97 N -1.18 3.30 0.08 1.32 1.98 0.17 -4.95 118.68 119.39 2k4w s LEU 97 Ca 0.53 -0.72 -0.30 0.00 -2.89 0.00 0.00 54.13 50.75 2k4w s LEU 97 Cb -0.40 -2.56 -0.06 0.00 0.66 0.00 0.00 46.19 43.83 2k4w s LEU 97 CO 0.49 -1.92 1.14 -0.69 -1.89 0.00 0.00 176.35 173.48 2k4w s VAL 98 N 6.51 4.12 0.12 1.68 1.01 -1.26 -2.95 120.40 129.63 2k4w s VAL 98 Ca 0.48 1.58 0.10 0.00 0.00 0.00 0.00 61.98 64.14 2k4w s VAL 98 Cb -0.06 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 2k4w s VAL 98 CO 0.05 0.16 -0.22 0.54 0.00 0.00 0.00 175.10 175.62 2k4w s VAL 99 N 0.77 2.56 0.69 2.92 0.11 -1.26 -3.72 120.40 122.46 2k4w s VAL 99 Ca 0.56 -1.59 -0.09 0.00 -2.93 0.00 0.00 61.98 57.92 2k4w s VAL 99 Cb -0.28 -2.15 0.03 0.00 -1.53 0.00 0.00 36.38 32.45 2k4w s VAL 99 CO 0.30 0.12 1.03 0.54 -3.33 0.00 0.00 175.10 173.77 2k4w s ASN 100 N -2.03 5.24 0.22 3.54 2.20 -0.74 -4.52 114.94 118.86 2k4w s ASN 100 Ca 0.16 0.83 0.05 0.00 -0.94 0.00 0.00 52.86 52.96 2k4w s ASN 100 Cb -0.10 -1.62 0.26 0.00 -2.00 0.00 0.00 41.25 37.79 2k4w s ASN 100 CO 0.08 -1.38 0.92 -0.46 -2.94 0.00 0.00 177.10 173.32 2k4w n ASN 101 N -2.91 0.13 -0.01 3.54 2.04 -1.26 -1.32 115.26 115.47 2k4w n ASN 101 Ca 0.06 0.33 0.00 0.00 -0.44 0.00 0.00 54.58 54.54 2k4w n ASN 101 Cb 0.58 -0.23 0.00 0.00 -2.53 0.00 0.00 39.78 37.60 2k4w n ASN 101 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 2k4w n ASP 102 N -1.68 0.58 0.00 0.53 8.00 -1.26 -4.83 116.55 117.89 2k4w n ASP 102 Ca -0.00 -0.79 0.00 0.00 0.71 0.00 0.00 54.79 54.71 2k4w n ASP 102 Cb 0.46 0.44 0.00 0.00 -0.02 0.00 0.00 41.12 42.00 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 0.45 1.12 3.08 0.44 0.00 -0.44 -4.92 105.19 104.92 2k4w n GLY 103 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 1.36 -0.10 -0.61 -1.09 -1.26 -0.85 121.20 116.65 2k4w s ILE 104 Ca 0.00 -0.62 -0.16 0.00 -2.23 0.00 0.00 60.65 57.64 2k4w s ILE 104 Cb 0.00 -1.21 -0.05 0.00 -1.58 0.00 0.00 42.46 39.62 2k4w s ILE 104 CO 0.00 0.40 0.41 0.00 -1.23 0.00 0.00 174.94 174.52 2k4w s ALA 105 N 0.50 3.57 0.00 9.38 0.00 -0.15 -1.79 121.76 133.27 2k4w s ALA 105 Ca -0.14 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 51.55 2k4w s ALA 105 Cb -0.16 -2.51 0.00 0.00 0.00 0.00 0.00 23.12 20.46 2k4w s ALA 105 CO 0.05 0.15 0.00 -2.37 0.00 0.00 0.00 175.76 173.59 2k4w n THR 106 N 3.16 0.00 -3.00 0.00 5.66 -1.24 -2.78 114.28 116.08 2k4w n THR 106 Ca -0.10 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.50 2k4w n THR 106 Cb 0.52 0.24 -0.05 0.00 -1.55 0.00 0.00 70.33 69.49 2k4w n THR 106 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 2k4w s GLU 107 N 0.00 4.47 0.39 1.09 2.02 -1.26 -4.62 118.70 120.79 2k4w s GLU 107 Ca 0.00 1.01 -0.24 0.00 0.02 0.00 0.00 54.97 55.76 2k4w s GLU 107 Cb 0.00 -3.39 -0.10 0.00 0.10 0.00 0.00 34.13 30.74 2k4w s GLU 107 CO 0.00 0.21 0.99 -1.25 0.02 0.00 0.00 175.26 175.23 2k4w s PRO 108 N 0.24 4.28 0.24 0.39 0.04 -1.26 -4.38 135.00 134.54 2k4w s PRO 108 Ca 0.38 1.35 0.01 0.00 0.04 0.00 0.00 61.00 62.78 2k4w s PRO 108 Cb -0.20 -2.50 -0.04 0.00 0.04 0.00 0.00 34.50 31.80 2k4w s PRO 108 CO 0.21 -0.01 0.12 0.14 0.04 0.00 0.00 177.00 177.50 2k4w s VAL 109 N -1.79 0.27 -0.00 -0.36 -7.23 -0.32 -5.02 120.40 105.95 2k4w s VAL 109 Ca 0.57 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.76 2k4w s VAL 109 Cb -0.18 -2.56 -0.01 0.00 0.56 0.00 0.00 36.38 34.20 2k4w s VAL 109 CO 0.22 0.00 -0.06 -0.89 -0.31 0.00 0.00 175.10 174.07 2k4w s THR 110 N -3.91 0.45 -0.57 5.32 2.01 -1.26 -0.23 115.64 117.46 2k4w s THR 110 Ca 0.38 -0.30 0.04 0.00 0.31 0.00 0.00 61.69 62.12 2k4w s THR 110 Cb 0.07 -0.39 0.14 0.00 0.01 0.00 0.00 72.50 72.33 2k4w s THR 110 CO 0.14 0.09 0.32 0.00 -0.69 0.00 0.00 174.62 174.48 2k4w s ALA 111 N -0.23 3.38 -1.20 7.40 0.00 -0.06 -4.86 121.76 126.20 2k4w s ALA 111 Ca 0.01 -3.40 0.06 0.00 0.00 0.00 0.00 51.96 48.63 2k4w s ALA 111 Cb -0.03 -2.15 0.26 0.00 0.00 0.00 0.00 23.12 21.21 2k4w s ALA 111 CO -0.00 -2.04 1.11 -0.35 0.00 0.00 0.00 175.76 174.47 2k4w n PRO 112 N 2.81 0.04 0.24 0.00 -0.04 -1.12 -2.11 135.00 134.82 2k4w n PRO 112 Ca 0.09 0.32 0.08 0.00 -0.04 0.00 0.00 63.50 63.96 2k4w n PRO 112 Cb 0.33 -1.50 0.58 0.00 -0.04 0.00 0.00 33.50 32.87 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 -6.21 0.54 3.08 -1.92 -3.43 114.38 106.44 2k4w h ARG 113 Ca 0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.43 2k4w h ARG 113 Cb 0.08 0.00 -0.27 0.00 0.08 0.00 0.00 29.97 29.85 2k4w h ARG 113 CO 0.00 0.19 -0.86 -0.51 -1.07 0.00 0.00 179.97 177.72 2k4w s LEU 114 N -7.83 2.12 -0.08 3.04 2.01 -1.07 -5.06 118.68 111.80 2k4w s LEU 114 Ca -0.03 -0.48 0.12 0.00 0.01 0.00 0.00 54.13 53.75 2k4w s LEU 114 Cb 0.14 -1.08 0.24 0.00 0.01 0.00 0.00 46.19 45.50 2k4w s LEU 114 CO 0.65 0.22 1.14 2.29 1.01 0.00 0.00 176.35 181.66 2k4w n LYS 115 N 2.12 0.37 -3.65 1.70 2.85 -1.26 -1.92 118.16 118.37 2k4w n LYS 115 Ca -0.16 -1.58 -0.00 0.00 -1.05 0.00 0.00 58.31 55.51 2k4w n LYS 115 Cb 0.53 0.13 -0.07 0.00 -0.65 0.00 0.00 35.03 34.97 2k4w n LYS 115 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 2k4w s SER 116 N -1.60 -0.01 0.46 -5.58 0.01 -1.26 -4.90 113.70 100.82 2k4w s SER 116 Ca 0.14 0.01 0.17 0.00 1.31 0.00 0.00 55.95 57.59 2k4w s SER 116 Cb 0.22 0.39 1.14 0.00 0.21 0.00 0.00 66.02 67.97 2k4w s SER 116 CO -0.07 -0.00 1.98 -0.07 0.41 0.00 0.00 173.24 175.48 2k4w h LEU 117 N 3.78 0.26 -2.02 2.44 -0.00 -1.98 -1.37 115.31 116.42 2k4w h LEU 117 Ca -0.27 0.01 0.13 0.00 -0.00 0.00 0.00 57.88 57.76 2k4w h LEU 117 Cb 1.18 -0.04 -0.02 0.00 -0.00 0.00 0.00 40.66 41.78 2k4w h LEU 117 CO 0.21 0.15 0.41 -0.78 -0.00 0.00 0.00 178.44 178.43 2k4w h ASP 118 N 0.29 0.00 0.41 -0.43 1.82 -1.95 0.52 116.42 117.07 2k4w h ASP 118 Ca 0.28 0.00 -0.07 0.00 -0.39 0.00 0.00 57.03 56.85 2k4w h ASP 118 Cb 0.71 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.71 2k4w h ASP 118 CO -0.06 0.00 -0.33 -0.33 -1.61 0.00 0.00 179.24 176.91 2k4w h GLU 119 N 0.00 0.00 0.00 0.28 5.08 -1.64 -3.35 114.58 114.95 2k4w h GLU 119 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 2k4w h GLU 119 Cb 1.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.29 2k4w h GLU 119 CO -0.00 0.33 -0.02 1.33 -1.00 0.00 0.00 179.01 179.65 2k4w n VAL 120 N -4.00 0.94 0.07 3.13 0.24 0.12 -4.77 118.33 114.07 2k4w n VAL 120 Ca -0.02 -1.00 0.21 0.00 -2.04 0.00 0.00 64.34 61.49 2k4w n VAL 120 Cb 0.39 0.46 0.74 0.00 -1.47 0.00 0.00 33.84 33.96 2k4w n VAL 120 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 2k4w h LYS 121 N 0.00 0.00 0.00 7.34 2.10 -1.56 -1.29 116.57 123.16 2k4w h LYS 121 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2k4w h LYS 121 Cb 0.69 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.02 2k4w h LYS 121 CO 0.00 0.00 -0.30 -0.25 -2.00 0.00 0.00 179.45 176.90 2k4w n ASP 122 N -3.80 0.33 -4.66 7.07 9.92 -1.26 -4.58 116.55 119.57 2k4w n ASP 122 Ca 0.08 0.09 -0.26 0.00 -0.53 0.00 0.00 54.79 54.16 2k4w n ASP 122 Cb 0.63 -0.08 -0.09 0.00 -0.64 0.00 0.00 41.12 40.94 2k4w n ASP 122 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2k4w s LYS 123 N -3.01 2.06 0.13 -1.24 1.02 -0.49 -2.32 119.74 115.89 2k4w s LYS 123 Ca 0.12 -1.95 0.08 0.00 0.02 0.00 0.00 55.97 54.24 2k4w s LYS 123 Cb 0.18 -1.81 -0.04 0.00 -0.52 0.00 0.00 37.83 35.64 2k4w s LYS 123 CO 0.63 -0.03 -0.10 0.00 -0.92 0.00 0.00 175.35 174.93 2k4w s ALA 124 N -2.63 2.94 -0.01 5.17 0.00 -0.37 -1.49 121.76 125.36 2k4w s ALA 124 Ca 0.37 -1.33 0.03 0.00 0.00 0.00 0.00 51.96 51.03 2k4w s ALA 124 Cb 0.06 -0.83 -0.03 0.00 0.00 0.00 0.00 23.12 22.31 2k4w s ALA 124 CO 0.20 0.58 -0.05 -0.51 0.00 0.00 0.00 175.76 175.97 2k4w s LEU 125 N -2.42 3.24 -0.00 0.00 1.43 -0.11 -1.44 118.68 119.38 2k4w s LEU 125 Ca 0.22 -0.10 0.01 0.00 -1.03 0.00 0.00 54.13 53.23 2k4w s LEU 125 Cb -0.10 -1.84 -0.00 0.00 0.03 0.00 0.00 46.19 44.28 2k4w s LEU 125 CO 0.14 0.29 -0.03 -0.04 0.23 0.00 0.00 176.35 176.94 2k4w s MET 126 N -1.37 0.25 -0.23 1.70 -1.94 -0.22 -0.73 119.30 116.77 2k4w s MET 126 Ca 0.17 -0.10 -0.10 0.00 -1.71 0.00 0.00 55.69 53.95 2k4w s MET 126 Cb -0.11 -0.25 -0.05 0.00 2.01 0.00 0.00 34.83 36.43 2k4w s MET 126 CO 0.07 0.06 0.14 0.42 -0.01 0.00 0.00 175.02 175.70 2k4w s ILE 127 N -0.02 5.30 0.07 2.53 1.01 0.11 -2.48 121.20 127.73 2k4w s ILE 127 Ca 0.01 0.16 0.03 0.00 0.00 0.00 0.00 60.65 60.84 2k4w s ILE 127 Cb -0.02 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.95 2k4w s ILE 127 CO -0.00 0.37 0.07 -1.00 0.00 0.00 0.00 174.94 174.38 2k4w s HIS 128 N 0.88 3.17 0.08 3.97 3.76 -0.05 -0.29 115.29 126.81 2k4w s HIS 128 Ca 0.07 0.08 -0.16 0.00 -0.15 0.00 0.00 55.06 54.90 2k4w s HIS 128 Cb -0.13 -1.63 -0.12 0.00 1.11 0.00 0.00 32.58 31.81 2k4w s HIS 128 CO 0.03 0.52 1.35 0.28 -0.85 0.00 0.00 174.74 176.07 2k4w h VAL 129 N 2.72 1.32 -1.84 -0.90 2.07 -0.60 -3.02 116.25 116.01 2k4w h VAL 129 Ca -0.47 -1.58 -0.44 0.00 0.82 0.00 0.00 66.70 65.03 2k4w h VAL 129 Cb 1.17 1.81 0.04 0.00 -1.52 0.00 0.00 31.29 32.78 2k4w h VAL 129 CO 0.64 0.49 -0.13 -0.83 0.02 0.00 0.00 177.57 177.76 2k4w s GLY 130 N -3.75 1.87 0.00 2.17 0.00 -0.67 -4.65 107.32 102.29 2k4w s GLY 130 Ca -0.12 -1.59 0.00 0.00 0.00 0.00 0.00 44.72 43.01 2k4w s GLY 130 CO 0.83 -1.32 0.00 0.61 0.00 0.00 0.00 173.10 173.22 2k4w n GLY 131 N -2.14 -2.70 2.68 0.20 0.00 -1.14 -0.36 105.19 101.74 2k4w n GLY 131 Ca 0.09 -1.02 -0.08 0.00 0.00 0.00 0.00 46.02 45.01 2k4w n GLY 131 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2k4w n ASP 132 N 0.00 -1.68 -0.87 1.61 -0.08 -1.26 -3.86 116.55 110.41 2k4w n ASP 132 Ca 0.00 -2.95 -0.05 0.00 -1.51 0.00 0.00 54.79 50.28 2k4w n ASP 132 Cb 0.00 1.15 -0.05 0.00 2.34 0.00 0.00 41.12 44.55 2k4w n ASP 132 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 2k4w n ASN 133 N -0.18 -0.75 -3.81 1.67 6.94 -1.25 -4.37 115.26 113.51 2k4w n ASN 133 Ca 0.02 -1.70 -0.26 0.00 -0.02 0.00 0.00 54.58 52.62 2k4w n ASN 133 Cb 0.79 0.22 -0.17 0.00 -2.36 0.00 0.00 39.78 38.26 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 0.00 0.95 0.36 -3.83 -1.94 -1.22 -4.94 119.30 108.68 2k4w s MET 134 Ca 0.00 -0.23 -0.15 0.00 -1.71 0.00 0.00 55.69 53.60 2k4w s MET 134 Cb 0.00 -1.61 0.04 0.00 2.01 0.00 0.00 34.83 35.28 2k4w s MET 134 CO 0.00 -0.42 0.73 0.45 -0.01 0.00 0.00 175.02 175.78 2k4w s SER 135 N 1.82 0.05 -1.15 3.03 0.15 -1.26 -3.79 113.70 112.55 2k4w s SER 135 Ca 0.02 -1.08 0.00 0.00 0.70 0.00 0.00 55.95 55.59 2k4w s SER 135 Cb -0.14 0.80 0.00 0.00 -1.71 0.00 0.00 66.02 64.97 2k4w s SER 135 CO -0.07 -1.57 0.00 -0.67 1.20 0.00 0.00 173.24 172.13 2k4w n ASP 136 N -1.21 -4.13 -4.26 5.45 2.03 -1.26 -4.94 116.55 108.24 2k4w n ASP 136 Ca -0.06 0.13 -0.20 0.00 0.52 0.00 0.00 54.79 55.17 2k4w n ASP 136 Cb 0.60 -3.06 -0.11 0.00 -0.72 0.00 0.00 41.12 37.83 2k4w n ASP 136 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k4w s GLN 137 N -3.91 1.06 0.21 -0.67 0.00 -1.26 -5.06 119.66 110.03 2k4w s GLN 137 Ca 0.00 -1.22 0.23 0.00 -0.00 0.00 0.00 55.36 54.37 2k4w s GLN 137 Cb 0.00 -1.06 0.92 0.00 0.00 0.00 0.00 33.01 32.86 2k4w s GLN 137 CO 0.00 0.22 1.68 -0.35 0.00 0.00 0.00 175.29 176.84 2k4w n PRO 138 N 0.69 0.17 -3.33 9.60 -0.04 -1.26 -2.78 135.00 138.04 2k4w n PRO 138 Ca -0.17 0.37 -0.46 0.00 -0.04 0.00 0.00 63.50 63.20 2k4w n PRO 138 Cb 0.56 -1.80 -0.01 0.00 -0.04 0.00 0.00 33.50 32.20 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 -3.24 3.78 0.70 0.54 1.02 -1.26 -5.09 119.74 116.19 2k4w s LYS 139 Ca 0.05 -2.69 -0.17 0.00 0.02 0.00 0.00 55.97 53.19 2k4w s LYS 139 Cb 0.10 -4.46 0.01 0.00 -0.52 0.00 0.00 37.83 32.95 2k4w s LYS 139 CO 0.39 -1.28 1.18 -0.35 -0.92 0.00 0.00 175.35 174.38 2k4w n PRO 140 N 3.58 0.76 -1.60 -1.68 -0.04 -1.12 -1.81 135.00 133.10 2k4w n PRO 140 Ca 0.17 0.32 -0.13 0.00 -0.04 0.00 0.00 63.50 63.82 2k4w n PRO 140 Cb 0.45 -2.42 -0.04 0.00 -0.04 0.00 0.00 33.50 31.45 2k4w n PRO 140 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2k4w n LEU 141 N -2.07 -1.12 0.00 1.53 4.32 -1.25 -2.80 117.00 115.62 2k4w n LEU 141 Ca 0.15 0.24 0.00 0.00 -0.02 0.00 0.00 56.01 56.38 2k4w n LEU 141 Cb 0.49 -2.01 0.00 0.00 -1.62 0.00 0.00 43.42 40.27 2k4w n LEU 141 CO 0.48 -0.56 0.00 0.61 -1.22 0.00 0.00 177.39 176.70 2k4w n GLY 142 N -1.27 1.26 2.03 -0.72 0.00 -0.88 -1.83 105.19 103.78 2k4w n GLY 142 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.00 0.83 0.84 -0.02 0.00 -0.75 -4.91 105.19 99.18 2k4w n GLY 143 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 2k4w n GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4w n GLY 144 N -2.10 0.93 0.13 -0.02 0.00 -0.76 -4.66 105.19 98.71 2k4w n GLY 144 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.43 2k4w n GLY 144 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4w n GLY 145 N 1.31 -0.28 3.79 -0.02 0.00 -1.25 -1.67 105.19 107.08 2k4w n GLY 145 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 2k4w n GLY 145 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k4w s THR 146 N -1.74 2.19 -0.07 2.61 -4.23 -1.26 -4.88 115.64 108.26 2k4w s THR 146 Ca 0.00 0.06 0.03 0.00 -1.18 0.00 0.00 61.69 60.60 2k4w s THR 146 Cb 0.00 -2.82 -0.02 0.00 1.34 0.00 0.00 72.50 71.00 2k4w s THR 146 CO 0.00 -0.08 -0.14 -0.13 -0.54 0.00 0.00 174.62 173.74 2k4w s ARG 147 N -5.27 2.71 0.14 3.99 3.00 -1.26 -0.16 118.95 122.10 2k4w s ARG 147 Ca 0.63 -0.68 0.15 0.00 0.00 0.00 0.00 55.73 55.83 2k4w s ARG 147 Cb -0.15 -2.45 -0.08 0.00 0.00 0.00 0.00 34.95 32.28 2k4w s ARG 147 CO 0.53 0.54 1.09 -0.92 0.00 0.00 0.00 175.30 176.55 2k4w h TYR 148 N 5.63 0.00 -3.06 -0.53 3.20 -0.91 -3.44 116.97 117.86 2k4w h TYR 148 Ca -0.42 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.40 2k4w h TYR 148 Cb 1.17 0.00 -0.14 0.00 1.54 0.00 0.00 36.73 39.30 2k4w h TYR 148 CO 0.50 0.62 0.03 0.00 -1.64 0.00 0.00 178.16 177.67 2k4w s ALA 149 N -2.89 -1.23 0.03 1.82 0.00 -1.04 -4.42 121.76 114.03 2k4w s ALA 149 Ca -0.00 0.33 0.02 0.00 0.00 0.00 0.00 51.96 52.30 2k4w s ALA 149 Cb 0.08 0.60 -0.02 0.00 0.00 0.00 0.00 23.12 23.79 2k4w s ALA 149 CO 0.79 -0.61 -0.07 0.00 0.00 0.00 0.00 175.76 175.87 2k4w s GLY 151 N -1.35 -0.20 0.16 0.00 0.00 0.09 -0.39 107.32 105.63 2k4w s GLY 151 Ca -0.09 1.15 -0.30 0.00 0.00 0.00 0.00 44.72 45.48 2k4w s GLY 151 CO 0.00 2.00 1.09 0.14 0.00 0.00 0.00 173.10 176.33 2k4w s VAL 152 N 2.28 3.95 0.54 1.40 1.01 -1.26 -0.93 120.40 127.38 2k4w s VAL 152 Ca -0.02 1.66 -0.16 0.00 0.00 0.00 0.00 61.98 63.47 2k4w s VAL 152 Cb -0.12 -4.06 -0.07 0.00 0.00 0.00 0.00 36.38 32.13 2k4w s VAL 152 CO -0.10 0.28 1.00 -0.63 0.00 0.00 0.00 175.10 175.65 2k4w s ILE 153 N -0.16 4.45 -2.00 2.22 1.01 -0.56 -4.81 121.20 121.35 2k4w s ILE 153 Ca 0.49 1.14 0.06 0.00 0.00 0.00 0.00 60.65 62.34 2k4w s ILE 153 Cb -0.29 -3.69 0.18 0.00 0.01 0.00 0.00 42.46 38.67 2k4w s ILE 153 CO 0.34 -0.71 0.83 0.29 0.00 0.00 0.00 174.94 175.70