#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 -0.15 -0.23 0.00 0.01 -1.26 -1.66 113.70 110.41 2k4w s SER 2 Ca 0.00 -0.20 -0.08 0.00 1.31 0.00 0.00 55.95 56.98 2k4w s SER 2 Cb 0.00 0.38 0.10 0.00 0.21 0.00 0.00 66.02 66.71 2k4w s SER 2 CO 0.00 -0.66 0.49 -0.70 0.41 0.00 0.00 173.24 172.78 2k4w s GLU 3 N -2.77 0.42 -0.62 12.44 2.56 0.57 -4.99 118.70 126.31 2k4w s GLU 3 Ca -0.03 1.13 -0.24 0.00 0.00 0.00 0.00 54.97 55.83 2k4w s GLU 3 Cb -0.00 0.43 0.05 0.00 2.00 0.00 0.00 34.13 36.62 2k4w s GLU 3 CO -0.05 -0.22 0.98 0.21 -0.56 0.00 0.00 175.26 175.63 2k4w s LYS 4 N 2.52 3.21 -0.25 4.30 2.20 -1.26 -1.12 119.74 129.34 2k4w s LYS 4 Ca -0.04 -0.54 -0.17 0.00 -0.36 0.00 0.00 55.97 54.86 2k4w s LYS 4 Cb -0.11 -4.15 -0.03 0.00 -1.51 0.00 0.00 37.83 32.03 2k4w s LYS 4 CO -0.15 -1.71 0.48 0.08 -0.36 0.00 0.00 175.35 173.69 2k4w s VAL 5 N 4.18 5.11 -0.63 4.02 1.01 0.25 -4.89 120.40 129.45 2k4w s VAL 5 Ca 0.27 0.81 -0.27 0.00 0.00 0.00 0.00 61.98 62.79 2k4w s VAL 5 Cb -0.14 -3.79 0.03 0.00 0.00 0.00 0.00 36.38 32.48 2k4w s VAL 5 CO 0.14 0.13 1.20 -0.83 0.00 0.00 0.00 175.10 175.74 2k4w s GLY 6 N 1.44 1.08 0.19 4.51 0.00 -1.26 -1.13 107.32 112.14 2k4w s GLY 6 Ca 0.20 -1.04 -0.16 0.00 0.00 0.00 0.00 44.72 43.72 2k4w s GLY 6 CO 0.09 2.51 0.63 1.06 0.00 0.00 0.00 173.10 177.39 2k4w s MET 7 N 5.11 4.07 0.12 2.90 -1.94 -1.18 -4.51 119.30 123.86 2k4w s MET 7 Ca 0.39 0.63 0.11 0.00 -1.71 0.00 0.00 55.69 55.11 2k4w s MET 7 Cb -0.08 -2.87 -0.04 0.00 2.01 0.00 0.00 34.83 33.85 2k4w s MET 7 CO 0.22 0.42 -0.26 1.21 -0.01 0.00 0.00 175.02 176.59 2k4w s ASN 8 N -1.76 3.24 -1.33 3.03 3.84 0.40 -4.11 114.94 118.26 2k4w s ASN 8 Ca 0.41 -0.72 -0.13 0.00 0.21 0.00 0.00 52.86 52.63 2k4w s ASN 8 Cb -0.15 -0.22 -0.04 0.00 -0.55 0.00 0.00 41.25 40.28 2k4w s ASN 8 CO 0.20 0.18 2.39 0.18 -2.79 0.00 0.00 177.10 177.26 2k4w n LEU 9 N 1.06 6.75 -4.81 3.21 4.77 0.71 -1.56 117.00 127.12 2k4w n LEU 9 Ca -0.18 -3.85 -0.32 0.00 -0.03 0.00 0.00 56.01 51.64 2k4w n LEU 9 Cb 0.53 -1.47 0.04 0.00 -2.33 0.00 0.00 43.42 40.19 2k4w n LEU 9 CO 0.23 1.10 0.71 0.68 -1.33 0.00 0.00 177.39 178.78 2k4w s VAL 10 N 3.21 3.90 0.00 4.08 -7.23 -1.26 -3.59 120.40 119.51 2k4w s VAL 10 Ca 0.55 0.73 0.00 0.00 -1.81 0.00 0.00 61.98 61.44 2k4w s VAL 10 Cb 0.15 -3.36 0.00 0.00 0.56 0.00 0.00 36.38 33.72 2k4w s VAL 10 CO -0.04 -0.70 0.00 1.07 -0.31 0.00 0.00 175.10 175.12 2k4w n THR 11 N -2.71 0.00 0.24 5.32 5.66 -0.67 -4.51 114.28 117.62 2k4w n THR 11 Ca 0.08 0.00 0.16 0.00 -3.05 0.00 0.00 64.05 61.24 2k4w n THR 11 Cb 0.53 0.00 0.87 0.00 -1.55 0.00 0.00 70.33 70.18 2k4w n THR 11 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2k4w h ALA 12 N 2.00 1.68 0.00 1.79 0.00 -1.92 -1.38 119.26 121.42 2k4w h ALA 12 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k4w h ALA 12 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2k4w h ALA 12 CO 0.00 -0.18 -0.58 1.96 0.00 0.00 0.00 179.25 180.45 2k4w h GLN 13 N 0.00 0.00 0.00 0.00 7.50 -1.97 -3.40 115.11 117.25 2k4w h GLN 13 Ca 0.05 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.20 2k4w h GLN 13 Cb 0.30 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.83 2k4w h GLN 13 CO -0.00 0.00 0.00 0.41 -1.50 0.00 0.00 178.83 177.74 2k4w n GLY 14 N 1.30 1.04 3.76 3.46 0.00 -0.52 -4.80 105.19 109.43 2k4w n GLY 14 Ca 0.03 -1.56 -0.41 0.00 0.00 0.00 0.00 46.02 44.09 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 3.17 0.00 1.61 1.01 -1.26 -1.67 120.40 123.26 2k4w s VAL 15 Ca 0.00 1.14 0.00 0.00 0.00 0.00 0.00 61.98 63.12 2k4w s VAL 15 Cb 0.00 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.65 2k4w s VAL 15 CO 0.00 0.26 0.00 0.61 0.00 0.00 0.00 175.10 175.97 2k4w n GLY 16 N 1.22 1.04 3.38 4.51 0.00 -1.24 -4.94 105.19 109.17 2k4w n GLY 16 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 1.40 1.42 -0.04 1.61 0.74 -1.26 -4.90 119.66 118.64 2k4w s GLN 17 Ca 0.00 -1.33 -0.10 0.00 0.05 0.00 0.00 55.36 53.98 2k4w s GLN 17 Cb 0.00 -1.89 -0.05 0.00 1.10 0.00 0.00 33.01 32.17 2k4w s GLN 17 CO 0.00 0.45 0.29 0.45 -0.55 0.00 0.00 175.29 175.93 2k4w s SER 18 N -1.99 6.60 0.00 6.67 0.15 -1.26 -0.21 113.70 123.65 2k4w s SER 18 Ca 0.14 0.71 0.00 0.00 0.70 0.00 0.00 55.95 57.50 2k4w s SER 18 Cb -0.10 -2.16 0.00 0.00 -1.71 0.00 0.00 66.02 62.05 2k4w s SER 18 CO 0.06 0.34 0.29 2.30 1.20 0.00 0.00 173.24 177.43 2k4w n ILE 19 N 1.74 0.01 0.00 6.45 -5.35 -1.26 -5.02 119.36 115.93 2k4w n ILE 19 Ca -0.16 -0.01 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 2k4w n ILE 19 Cb 0.53 1.42 0.00 0.00 -1.74 0.00 0.00 39.64 39.86 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 2.26 2.21 3.28 0.00 -1.26 -3.40 105.19 108.27 2k4w n GLY 20 Ca 0.00 -1.06 -0.18 0.00 0.00 0.00 0.00 46.02 44.77 2k4w n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k4w n THR 21 N -1.00 0.00 -4.62 2.61 -2.24 -1.26 -3.12 114.28 104.65 2k4w n THR 21 Ca 0.00 -1.39 -0.23 0.00 -2.27 0.00 0.00 64.05 60.15 2k4w n THR 21 Cb 0.00 0.13 -0.16 0.00 -2.10 0.00 0.00 70.33 68.20 2k4w n THR 21 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2k4w s VAL 22 N -1.95 1.11 -0.17 2.28 1.01 -0.29 -3.01 120.40 119.38 2k4w s VAL 22 Ca 0.06 -0.54 -0.21 0.00 0.00 0.00 0.00 61.98 61.28 2k4w s VAL 22 Cb -0.00 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.38 2k4w s VAL 22 CO 0.04 0.33 0.63 0.54 0.00 0.00 0.00 175.10 176.64 2k4w s VAL 23 N 0.11 5.03 -0.15 2.92 0.11 -0.31 -0.58 120.40 127.53 2k4w s VAL 23 Ca -0.03 1.22 -0.00 0.00 -2.93 0.00 0.00 61.98 60.23 2k4w s VAL 23 Cb -0.10 -3.95 -0.01 0.00 -1.53 0.00 0.00 36.38 30.79 2k4w s VAL 23 CO 0.01 0.14 -0.13 -0.63 -3.33 0.00 0.00 175.10 171.16 2k4w s ILE 24 N 1.68 2.94 -0.05 7.04 1.09 -0.27 -0.99 121.20 132.64 2k4w s ILE 24 Ca 0.30 -0.69 -0.03 0.00 -1.10 0.00 0.00 60.65 59.13 2k4w s ILE 24 Cb -0.16 -2.25 0.03 0.00 -1.06 0.00 0.00 42.46 39.02 2k4w s ILE 24 CO 0.11 0.51 0.12 -0.62 -0.10 0.00 0.00 174.94 174.97 2k4w s ASP 25 N 0.59 -0.10 -0.01 3.58 2.15 -0.56 -0.32 116.67 122.00 2k4w s ASP 25 Ca -0.08 0.25 -0.16 0.00 0.43 0.00 0.00 52.55 52.99 2k4w s ASP 25 Cb -0.16 0.19 -0.06 0.00 -0.30 0.00 0.00 42.92 42.60 2k4w s ASP 25 CO 0.03 -0.10 0.43 -1.61 -0.17 0.00 0.00 175.17 173.76 2k4w s GLU 26 N 0.65 4.03 0.20 4.34 2.02 -0.66 -0.45 118.70 128.82 2k4w s GLU 26 Ca -0.05 0.45 -0.01 0.00 0.02 0.00 0.00 54.97 55.37 2k4w s GLU 26 Cb -0.07 -3.26 0.01 0.00 0.10 0.00 0.00 34.13 30.91 2k4w s GLU 26 CO -0.03 0.59 0.29 -2.37 0.02 0.00 0.00 175.26 173.76 2k4w n THR 27 N 2.15 0.00 0.72 3.63 5.66 0.02 -4.63 114.28 121.83 2k4w n THR 27 Ca -0.12 -1.01 0.08 0.00 -3.05 0.00 0.00 64.05 59.95 2k4w n THR 27 Cb 0.52 0.63 0.40 0.00 -1.55 0.00 0.00 70.33 70.32 2k4w n THR 27 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 2k4w n GLU 28 N -0.33 0.17 -0.41 1.09 0.28 -1.26 -0.36 120.64 119.82 2k4w n GLU 28 Ca 0.00 0.16 0.09 0.00 -0.16 0.00 0.00 57.16 57.25 2k4w n GLU 28 Cb 0.34 -1.50 0.29 0.00 1.43 0.00 0.00 31.44 32.00 2k4w n GLU 28 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2k4w n GLY 29 N 0.13 2.75 2.95 -1.84 0.00 -1.26 -5.10 105.19 102.83 2k4w n GLY 29 Ca 0.07 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.36 2k4w n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4w n GLY 30 N 1.06 -0.60 3.57 -0.02 0.00 0.51 -3.10 105.19 106.61 2k4w n GLY 30 Ca 0.22 -1.58 -0.40 0.00 0.00 0.00 0.00 46.02 44.26 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 3.37 -0.27 0.99 1.43 -0.95 -0.80 118.68 122.44 2k4w s LEU 31 Ca 0.00 0.51 -0.29 0.00 -1.03 0.00 0.00 54.13 53.32 2k4w s LEU 31 Cb 0.00 -2.90 0.00 0.00 0.03 0.00 0.00 46.19 43.32 2k4w s LEU 31 CO 0.00 -2.02 1.24 -0.75 0.23 0.00 0.00 176.35 175.06 2k4w s LYS 32 N 6.24 4.02 -0.28 1.70 2.20 0.40 -1.34 119.74 132.68 2k4w s LYS 32 Ca 0.65 1.30 -0.03 0.00 -0.36 0.00 0.00 55.97 57.53 2k4w s LYS 32 Cb -0.14 -3.82 0.03 0.00 -1.51 0.00 0.00 37.83 32.39 2k4w s LYS 32 CO 0.25 -0.98 -0.01 0.12 -0.36 0.00 0.00 175.35 174.37 2k4w s PHE 33 N 4.03 3.16 -0.28 4.03 5.36 0.41 -1.50 117.98 133.19 2k4w s PHE 33 Ca 0.54 -1.56 0.03 0.00 -0.96 0.00 0.00 56.93 54.97 2k4w s PHE 33 Cb -0.17 -2.12 0.07 0.00 -0.34 0.00 0.00 43.02 40.46 2k4w s PHE 33 CO 0.19 -0.73 -0.06 0.99 -1.46 0.00 0.00 175.22 174.16 2k4w s THR 34 N 1.33 2.11 0.71 0.12 2.01 -0.16 -1.31 115.64 120.44 2k4w s THR 34 Ca -0.01 -1.78 -0.11 0.00 0.31 0.00 0.00 61.69 60.09 2k4w s THR 34 Cb -0.18 -2.33 0.02 0.00 0.01 0.00 0.00 72.50 70.02 2k4w s THR 34 CO -0.02 -0.20 1.09 -2.16 -0.69 0.00 0.00 174.62 172.65 2k4w s PRO 35 N 1.09 2.84 -0.02 4.92 0.04 -1.26 -1.16 135.00 141.45 2k4w s PRO 35 Ca -0.03 0.49 0.10 0.00 0.04 0.00 0.00 61.00 61.60 2k4w s PRO 35 Cb -0.20 -2.02 0.18 0.00 0.04 0.00 0.00 34.50 32.50 2k4w s PRO 35 CO -0.06 -1.05 1.08 -2.39 0.04 0.00 0.00 177.00 174.62 2k4w n HIS 36 N -3.02 -0.05 -3.23 0.56 1.44 -1.04 -4.24 115.22 105.63 2k4w n HIS 36 Ca 0.07 -0.59 -0.39 0.00 -2.01 0.00 0.00 57.72 54.81 2k4w n HIS 36 Cb 0.57 0.30 -0.06 0.00 0.12 0.00 0.00 29.99 30.93 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 -0.25 4.36 -0.17 2.39 1.02 -0.96 -4.64 118.68 120.42 2k4w s LEU 37 Ca 0.13 1.03 0.16 0.00 0.02 0.00 0.00 54.13 55.47 2k4w s LEU 37 Cb 0.16 -2.85 0.59 0.00 0.02 0.00 0.00 46.19 44.11 2k4w s LEU 37 CO -0.06 0.05 1.49 2.29 0.02 0.00 0.00 176.35 180.13 2k4w n LYS 38 N 3.17 3.41 -2.75 1.70 2.85 -1.22 -0.96 118.16 124.36 2k4w n LYS 38 Ca -0.06 -2.84 -0.06 0.00 -1.05 0.00 0.00 58.31 54.29 2k4w n LYS 38 Cb 0.51 -1.89 0.03 0.00 -0.65 0.00 0.00 35.03 33.03 2k4w n LYS 38 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2k4w n ALA 39 N -0.05 -1.77 -2.24 0.58 0.00 -1.01 -4.64 120.51 111.38 2k4w n ALA 39 Ca 0.22 -1.14 -0.08 0.00 0.00 0.00 0.00 53.44 52.44 2k4w n ALA 39 Cb 0.92 -1.50 -0.10 0.00 0.00 0.00 0.00 19.45 18.76 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 0.20 2.46 0.19 0.00 1.02 -0.57 -5.03 118.68 116.95 2k4w s LEU 40 Ca 0.31 -0.92 -0.31 0.00 0.02 0.00 0.00 54.13 53.22 2k4w s LEU 40 Cb 0.10 0.13 -0.10 0.00 0.02 0.00 0.00 46.19 46.33 2k4w s LEU 40 CO -0.13 -0.53 1.57 -2.16 0.02 0.00 0.00 176.35 175.12 2k4w s PRO 41 N -3.52 4.20 -0.20 1.29 0.04 -1.26 -4.38 135.00 131.17 2k4w s PRO 41 Ca 0.04 2.40 0.00 0.00 0.04 0.00 0.00 61.00 63.49 2k4w s PRO 41 Cb 0.05 -3.13 0.20 0.00 0.04 0.00 0.00 34.50 31.66 2k4w s PRO 41 CO -0.08 -0.60 1.66 -0.35 0.04 0.00 0.00 177.00 177.67 2k4w n PRO 42 N 3.57 1.53 0.00 0.56 -0.04 -1.26 -4.72 135.00 134.63 2k4w n PRO 42 Ca 0.13 -1.13 0.00 0.00 -0.04 0.00 0.00 63.50 62.45 2k4w n PRO 42 Cb 0.38 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 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 0.25 1.45 2.95 0.55 0.00 -1.26 -3.86 105.19 105.27 2k4w n GLY 43 Ca 0.22 -0.88 -0.21 0.00 0.00 0.00 0.00 46.02 45.15 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 4.51 1.07 0.04 1.61 2.02 -1.26 -0.49 118.70 126.20 2k4w s GLU 44 Ca 0.00 -0.23 0.04 0.00 0.02 0.00 0.00 54.97 54.80 2k4w s GLU 44 Cb 0.00 -0.98 -0.02 0.00 0.10 0.00 0.00 34.13 33.23 2k4w s GLU 44 CO 0.00 -0.00 -0.11 -1.01 0.02 0.00 0.00 175.26 174.16 2k4w s HIS 45 N 0.65 0.96 0.56 1.61 3.76 -0.63 -4.68 115.29 117.53 2k4w s HIS 45 Ca -0.10 -0.39 -0.20 0.00 -0.15 0.00 0.00 55.06 54.22 2k4w s HIS 45 Cb -0.13 -0.57 -0.05 0.00 1.11 0.00 0.00 32.58 32.94 2k4w s HIS 45 CO 0.01 -0.00 1.20 0.20 -0.85 0.00 0.00 174.74 175.30 2k4w s GLY 46 N -1.27 2.74 -0.23 -2.22 0.00 0.21 0.45 107.32 107.00 2k4w s GLY 46 Ca -0.03 0.99 0.01 0.00 0.00 0.00 0.00 44.72 45.69 2k4w s GLY 46 CO 0.01 1.39 -0.07 -0.12 0.00 0.00 0.00 173.10 174.30 2k4w s PHE 47 N -1.60 2.48 0.23 1.90 5.36 -1.25 -0.80 117.98 124.30 2k4w s PHE 47 Ca 0.74 -1.76 0.10 0.00 -0.96 0.00 0.00 56.93 55.06 2k4w s PHE 47 Cb -0.29 -1.63 -0.04 0.00 -0.34 0.00 0.00 43.02 40.71 2k4w s PHE 47 CO 0.33 -0.77 -0.12 -1.01 -1.46 0.00 0.00 175.22 172.19 2k4w s HIS 48 N 1.37 2.52 0.11 10.12 3.76 -0.84 -1.28 115.29 131.05 2k4w s HIS 48 Ca -0.05 -0.27 0.02 0.00 -0.15 0.00 0.00 55.06 54.62 2k4w s HIS 48 Cb -0.18 -1.16 -0.04 0.00 1.11 0.00 0.00 32.58 32.31 2k4w s HIS 48 CO -0.07 0.60 0.19 0.42 -0.85 0.00 0.00 174.74 175.03 2k4w s ILE 49 N -2.09 5.01 0.03 0.60 1.01 -0.08 -0.86 121.20 124.82 2k4w s ILE 49 Ca 0.27 -0.69 0.02 0.00 0.00 0.00 0.00 60.65 60.25 2k4w s ILE 49 Cb -0.07 -3.50 -0.02 0.00 0.01 0.00 0.00 42.46 38.88 2k4w s ILE 49 CO 0.16 0.02 -0.06 -1.00 0.00 0.00 0.00 174.94 174.06 2k4w s HIS 50 N -1.60 0.53 0.48 3.97 3.76 -1.03 -4.27 115.29 117.14 2k4w s HIS 50 Ca 0.33 -0.37 0.17 0.00 -0.15 0.00 0.00 55.06 55.04 2k4w s HIS 50 Cb -0.12 -0.33 1.19 0.00 1.11 0.00 0.00 32.58 34.43 2k4w s HIS 50 CO 0.26 -0.07 2.07 0.00 -0.85 0.00 0.00 174.74 176.14 2k4w h ALA 51 N 4.99 1.73 -2.90 -1.40 0.00 -0.29 -3.28 119.26 118.11 2k4w h ALA 51 Ca -0.33 -0.10 -0.51 0.00 0.00 0.00 0.00 54.91 53.97 2k4w h ALA 51 Cb 1.20 -0.02 -0.18 0.00 0.00 0.00 0.00 17.79 18.79 2k4w h ALA 51 CO 0.44 0.14 -0.78 -0.80 0.00 0.00 0.00 179.25 178.25 2k4w s ASN 52 N -6.87 2.62 -1.15 0.00 0.01 0.21 -4.75 114.94 105.01 2k4w s ASN 52 Ca -0.04 -0.86 -0.15 0.00 -0.71 0.00 0.00 52.86 51.10 2k4w s ASN 52 Cb 0.16 -0.15 0.16 0.00 0.41 0.00 0.00 41.25 41.83 2k4w s ASN 52 CO 0.67 -0.05 1.37 -0.83 -1.51 0.00 0.00 177.10 176.75 2k4w s GLY 53 N -2.66 2.33 -0.33 0.66 0.00 0.23 -3.42 107.32 104.13 2k4w s GLY 53 Ca 0.15 -3.26 -0.00 0.00 0.00 0.00 0.00 44.72 41.61 2k4w s GLY 53 CO 0.06 2.03 0.80 -0.45 0.00 0.00 0.00 173.10 175.54 2k4w s SER 54 N 2.96 -1.07 0.00 1.64 0.15 -1.26 -4.86 113.70 111.26 2k4w s SER 54 Ca 0.41 -0.16 -0.01 0.00 0.70 0.00 0.00 55.95 56.88 2k4w s SER 54 Cb -0.03 1.53 -0.06 0.00 -1.71 0.00 0.00 66.02 65.75 2k4w s SER 54 CO -0.02 -0.16 1.30 0.00 1.20 0.00 0.00 173.24 175.56 2k4w s GLN 56 N 1.80 2.87 0.95 0.00 1.11 -1.26 -4.39 119.66 120.74 2k4w s GLN 56 Ca 0.15 -0.81 -0.14 0.00 0.01 0.00 0.00 55.36 54.57 2k4w s GLN 56 Cb 0.07 -2.27 0.21 0.00 -1.01 0.00 0.00 33.01 30.01 2k4w s GLN 56 CO 0.00 0.05 1.30 -1.25 0.01 0.00 0.00 175.29 175.40 2k4w s PRO 57 N 0.65 0.58 0.26 2.91 0.04 -1.14 -0.71 135.00 137.60 2k4w s PRO 57 Ca -0.12 -0.60 -0.04 0.00 0.04 0.00 0.00 61.00 60.29 2k4w s PRO 57 Cb -0.16 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.46 2k4w s PRO 57 CO 0.02 -2.41 0.33 0.00 0.04 0.00 0.00 177.00 174.98 2k4w s ALA 58 N -3.84 0.77 -0.11 8.56 0.00 -1.26 -4.57 121.76 121.30 2k4w s ALA 58 Ca 0.75 -1.48 -0.01 0.00 0.00 0.00 0.00 51.96 51.22 2k4w s ALA 58 Cb -0.03 1.26 -0.03 0.00 0.00 0.00 0.00 23.12 24.32 2k4w s ALA 58 CO 0.52 -0.72 -0.06 0.42 0.00 0.00 0.00 175.76 175.93 2k4w s ILE 59 N -3.77 3.76 -0.11 0.00 -1.09 -1.26 -0.30 121.20 118.43 2k4w s ILE 59 Ca 0.33 -0.43 -0.14 0.00 -2.23 0.00 0.00 60.65 58.17 2k4w s ILE 59 Cb 0.03 -2.59 0.03 0.00 -1.58 0.00 0.00 42.46 38.35 2k4w s ILE 59 CO 0.15 0.54 0.38 -0.54 -1.23 0.00 0.00 174.94 174.24 2k4w s LYS 60 N -0.18 0.53 -1.84 2.79 1.02 -0.42 -4.98 119.74 116.67 2k4w s LYS 60 Ca 0.03 0.33 0.00 0.00 0.02 0.00 0.00 55.97 56.35 2k4w s LYS 60 Cb -0.13 0.25 0.00 0.00 -0.52 0.00 0.00 37.83 37.43 2k4w s LYS 60 CO 0.03 -0.10 0.00 -3.47 -0.92 0.00 0.00 175.35 170.89 2k4w n ASP 61 N 2.37 -5.43 0.00 2.83 2.03 -1.26 -1.05 116.55 116.04 2k4w n ASP 61 Ca -0.16 0.21 0.00 0.00 0.52 0.00 0.00 54.79 55.36 2k4w n ASP 61 Cb 0.57 -4.64 0.00 0.00 -0.72 0.00 0.00 41.12 36.33 2k4w n ASP 61 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k4w n GLY 62 N -0.73 0.52 3.29 0.27 0.00 -1.26 -5.06 105.19 102.21 2k4w n GLY 62 Ca -0.22 -0.67 -0.09 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.27 1.03 -0.19 1.61 1.03 -0.22 -5.17 119.66 116.48 2k4w s GLN 63 Ca 0.00 -1.03 -0.08 0.00 0.04 0.00 0.00 55.36 54.29 2k4w s GLN 63 Cb 0.00 0.38 -0.04 0.00 0.03 0.00 0.00 33.01 33.37 2k4w s GLN 63 CO 0.00 -0.36 0.08 0.00 -2.54 0.00 0.00 175.29 172.46 2k4w s ALA 64 N -3.90 3.44 -0.58 2.60 0.00 -1.26 -1.30 121.76 120.75 2k4w s ALA 64 Ca 0.10 -0.77 0.26 0.00 0.00 0.00 0.00 51.96 51.55 2k4w s ALA 64 Cb 0.04 -1.98 0.85 0.00 0.00 0.00 0.00 23.12 22.02 2k4w s ALA 64 CO -0.06 0.11 1.75 0.28 0.00 0.00 0.00 175.76 177.85 2k4w h VAL 65 N 4.90 0.00 0.00 0.00 2.07 -0.96 -3.48 116.25 118.78 2k4w h VAL 65 Ca -0.37 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 66.69 2k4w h VAL 65 Cb 1.17 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 2k4w h VAL 65 CO 0.70 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.29 2k4w n ALA 66 N -1.83 0.00 -3.40 1.67 0.00 -1.26 -4.52 120.51 111.17 2k4w n ALA 66 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.35 2k4w n ALA 66 Cb 0.37 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.73 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 -0.72 -0.21 0.00 0.00 -1.26 -2.87 121.76 116.69 2k4w s ALA 67 Ca 0.00 0.37 -0.08 0.00 0.00 0.00 0.00 51.96 52.25 2k4w s ALA 67 Cb 0.00 -1.64 -0.19 0.00 0.00 0.00 0.00 23.12 21.28 2k4w s ALA 67 CO 0.00 -1.40 0.00 -1.91 0.00 0.00 0.00 175.76 172.45 2k4w n GLU 68 N 5.34 0.66 0.00 0.00 2.13 0.11 -4.32 120.64 124.56 2k4w n GLU 68 Ca -0.03 0.28 0.05 0.00 0.66 0.00 0.00 57.16 58.11 2k4w n GLU 68 Cb 0.49 -1.61 0.22 0.00 0.27 0.00 0.00 31.44 30.81 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 -3.39 1.49 0.48 4.31 0.00 -1.13 -2.55 120.51 119.72 2k4w n ALA 69 Ca -0.41 -0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.12 2k4w n ALA 69 Cb 0.94 -1.16 0.44 0.00 0.00 0.00 0.00 19.45 19.67 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 2.37 1.00 -0.13 0.00 0.00 -1.61 -3.39 119.26 117.49 2k4w h ALA 70 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2k4w h ALA 70 Cb 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2k4w h ALA 70 CO 0.00 0.00 -0.01 0.41 0.00 0.00 0.00 179.25 179.65 2k4w n GLY 71 N 0.74 -2.12 0.39 0.00 0.00 -1.06 -0.62 105.19 102.53 2k4w n GLY 71 Ca 0.04 -1.45 -0.03 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.43 -1.88 0.00 -0.02 0.00 -1.26 -4.43 105.19 97.16 2k4w n GLY 72 Ca 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.47 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 -2.50 0.00 -2.75 1.61 8.25 -1.26 -1.66 115.22 116.91 2k4w n HIS 73 Ca 0.02 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.43 2k4w n HIS 73 Cb 0.06 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.18 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 -0.55 -7.79 -0.45 2.41 7.94 -1.26 -2.36 117.00 114.94 2k4w n LEU 74 Ca 0.01 0.86 0.00 0.00 -1.11 0.00 0.00 56.01 55.76 2k4w n LEU 74 Cb 0.00 -3.31 0.00 0.00 0.53 0.00 0.00 43.42 40.65 2k4w n LEU 74 CO 0.00 -2.61 0.23 -0.90 -1.11 0.00 0.00 177.39 173.00 2k4w n ASP 75 N 0.07 0.00 0.11 1.96 5.75 -1.26 -1.39 116.55 121.79 2k4w n ASP 75 Ca 0.07 -0.98 -0.02 0.00 -0.01 0.00 0.00 54.79 53.86 2k4w n ASP 75 Cb 0.27 0.00 0.22 0.00 -1.03 0.00 0.00 41.12 40.59 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 0.00 0.17 0.00 0.11 0.13 -1.96 -3.36 132.00 127.09 2k4w h PRO 76 Ca 0.00 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 2k4w h PRO 76 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2k4w h PRO 76 CO 0.00 0.60 0.00 1.04 -0.23 0.00 0.00 178.00 179.41 2k4w n GLN 77 N -3.99 0.00 0.08 0.86 6.02 -1.26 -4.95 117.38 114.14 2k4w n GLN 77 Ca -0.02 -0.44 -0.23 0.00 -0.01 0.00 0.00 57.00 56.31 2k4w n GLN 77 Cb 0.50 -0.49 -0.15 0.00 1.02 0.00 0.00 30.24 31.12 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 0.00 0.60 -1.07 1.08 4.21 -1.90 -3.50 115.58 115.01 2k4w h ASN 78 Ca 0.00 -0.92 0.00 0.00 1.21 0.00 0.00 56.30 56.59 2k4w h ASN 78 Cb 0.95 -0.20 0.00 0.00 -1.12 0.00 0.00 38.32 37.95 2k4w h ASN 78 CO 0.00 1.63 0.00 1.07 -1.29 0.00 0.00 177.43 178.84 2k4w n THR 79 N -3.84 0.00 0.07 2.81 5.66 -1.26 -4.79 114.28 112.92 2k4w n THR 79 Ca -0.20 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.59 2k4w n THR 79 Cb 0.98 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 69.62 2k4w n THR 79 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 2k4w h GLY 80 N 0.00 0.40 -0.81 1.09 0.00 -1.92 -3.36 103.07 98.47 2k4w h GLY 80 Ca 0.00 -1.03 -0.44 0.00 0.00 0.00 0.00 47.33 45.85 2k4w h GLY 80 CO 0.00 0.91 0.36 -1.59 0.00 0.00 0.00 176.54 176.22 2k4w s LYS 81 N -2.59 0.52 0.22 4.80 -2.85 -1.26 -4.91 119.74 113.67 2k4w s LYS 81 Ca -0.14 -0.22 0.09 0.00 -1.00 0.00 0.00 55.97 54.70 2k4w s LYS 81 Cb 0.06 -1.81 -0.05 0.00 -2.06 0.00 0.00 37.83 33.97 2k4w s LYS 81 CO 0.86 -2.52 -0.17 -1.58 0.10 0.00 0.00 175.35 172.03 2k4w s HIS 82 N -3.64 1.91 0.00 1.78 5.65 -1.26 -4.21 115.29 115.51 2k4w s HIS 82 Ca 0.71 -0.48 0.00 0.00 0.25 0.00 0.00 55.06 55.54 2k4w s HIS 82 Cb -0.07 -0.88 0.00 0.00 -1.18 0.00 0.00 32.58 30.45 2k4w s HIS 82 CO 0.53 0.46 0.00 -0.85 -0.65 0.00 0.00 174.74 174.23 2k4w n GLU 83 N -0.30 0.00 0.00 2.88 -0.00 -1.25 -3.10 120.64 118.87 2k4w n GLU 83 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.08 2k4w n GLU 83 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 32.03 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 2.28 0.00 -1.84 0.00 -1.26 -0.69 105.19 103.67 2k4w n GLY 84 Ca 0.00 -0.27 0.10 0.00 0.00 0.00 0.00 46.02 45.85 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 0.02 0.00 1.61 -0.04 -1.26 -4.78 135.00 130.55 2k4w n PRO 85 Ca 0.00 -0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2k4w n PRO 85 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 2k4w n PRO 85 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2k4w n GLU 86 N -1.53 2.38 0.00 0.54 -0.00 -1.26 -5.09 120.64 115.68 2k4w n GLU 86 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.20 2k4w n GLU 86 Cb 0.34 -0.20 0.00 0.00 -0.00 0.00 0.00 31.44 31.58 2k4w n GLU 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2k4w n GLY 87 N 0.00 0.73 2.43 -1.84 0.00 -1.26 -5.02 105.19 100.23 2k4w n GLY 87 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.03 1.98 0.00 1.61 -0.06 -1.26 -4.69 117.38 113.92 2k4w n GLN 88 Ca 0.00 -1.25 0.00 0.00 -2.00 0.00 0.00 57.00 53.75 2k4w n GLN 88 Cb 0.00 -2.27 0.00 0.00 -4.06 0.00 0.00 30.24 23.91 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 3.37 -0.25 7.00 1.69 0.00 -1.26 -4.09 105.19 111.65 2k4w n GLY 89 Ca 0.42 0.80 0.00 0.00 0.00 0.00 0.00 46.02 47.24 2k4w n GLY 89 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2k4w n HIS 90 N 0.00 0.00 0.00 1.61 8.25 -1.26 -4.77 115.22 119.05 2k4w n HIS 90 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2k4w n HIS 90 Cb 0.00 0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.19 2k4w n HIS 90 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 2k4w n LEU 91 N 0.00 0.00 -1.03 2.41 -0.00 -0.49 -4.87 117.00 113.03 2k4w n LEU 91 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 56.01 56.00 2k4w n LEU 91 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.43 2k4w n LEU 91 CO 0.00 0.00 0.52 0.61 -0.00 0.00 0.00 177.39 178.52 2k4w n GLY 92 N 0.28 2.10 3.80 1.47 0.00 -0.99 -4.82 105.19 107.02 2k4w n GLY 92 Ca 0.00 -0.06 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 2k4w n GLY 92 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k4w s ASP 93 N 0.79 6.34 0.09 1.61 1.01 -1.26 -0.91 116.67 124.34 2k4w s ASP 93 Ca 0.03 0.40 0.05 0.00 0.71 0.00 0.00 52.55 53.74 2k4w s ASP 93 Cb 0.03 -2.10 -0.03 0.00 1.01 0.00 0.00 42.92 41.82 2k4w s ASP 93 CO 0.01 0.27 -0.13 -0.76 0.21 0.00 0.00 175.17 174.77 2k4w s LEU 94 N -0.28 2.33 0.70 1.23 1.02 -0.40 -4.98 118.68 118.29 2k4w s LEU 94 Ca 0.13 -0.70 -0.14 0.00 0.02 0.00 0.00 54.13 53.43 2k4w s LEU 94 Cb -0.12 -0.45 0.02 0.00 0.02 0.00 0.00 46.19 45.67 2k4w s LEU 94 CO 0.02 -0.14 1.14 -2.16 0.02 0.00 0.00 176.35 175.23 2k4w s PRO 95 N -2.17 2.46 0.22 1.29 0.04 -1.26 -3.74 135.00 131.84 2k4w s PRO 95 Ca 0.01 1.51 -0.32 0.00 0.04 0.00 0.00 61.00 62.24 2k4w s PRO 95 Cb -0.07 -1.90 -0.12 0.00 0.04 0.00 0.00 34.50 32.45 2k4w s PRO 95 CO 0.02 -1.53 1.65 1.33 0.04 0.00 0.00 177.00 178.50 2k4w n VAL 96 N -2.67 0.27 -2.09 -0.36 0.24 -1.26 -4.32 118.33 108.14 2k4w n VAL 96 Ca 0.11 -0.07 -0.28 0.00 -2.04 0.00 0.00 64.34 62.06 2k4w n VAL 96 Cb 0.51 -1.85 -0.05 0.00 -1.47 0.00 0.00 33.84 30.98 2k4w n VAL 96 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2k4w s LEU 97 N 0.70 3.17 0.32 1.34 0.20 0.17 -4.84 118.68 119.75 2k4w s LEU 97 Ca 0.73 -0.95 -0.29 0.00 0.69 0.00 0.00 54.13 54.31 2k4w s LEU 97 Cb -0.55 -2.57 -0.11 0.00 -0.43 0.00 0.00 46.19 42.54 2k4w s LEU 97 CO 0.38 -2.71 1.42 -0.69 -0.29 0.00 0.00 176.35 174.46 2k4w s VAL 98 N 9.87 2.43 -0.07 1.68 1.01 -1.26 -1.60 120.40 132.47 2k4w s VAL 98 Ca 0.68 0.41 0.05 0.00 0.00 0.00 0.00 61.98 63.12 2k4w s VAL 98 Cb -0.05 -3.26 -0.01 0.00 0.00 0.00 0.00 36.38 33.06 2k4w s VAL 98 CO 0.02 0.09 -0.22 -0.69 0.00 0.00 0.00 175.10 174.29 2k4w s VAL 99 N -0.76 2.28 0.57 2.92 1.01 0.36 -4.50 120.40 122.29 2k4w s VAL 99 Ca 0.54 -0.98 -0.20 0.00 0.00 0.00 0.00 61.98 61.34 2k4w s VAL 99 Cb -0.43 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 2k4w s VAL 99 CO 0.53 0.57 1.22 0.54 0.00 0.00 0.00 175.10 177.96 2k4w s ASN 100 N -0.15 5.31 0.35 3.32 2.20 -0.99 -4.12 114.94 120.85 2k4w s ASN 100 Ca -0.03 2.43 0.16 0.00 -0.94 0.00 0.00 52.86 54.48 2k4w s ASN 100 Cb -0.14 -2.60 0.87 0.00 -2.00 0.00 0.00 41.25 37.38 2k4w s ASN 100 CO 0.04 -1.51 1.41 -0.55 -2.94 0.00 0.00 177.10 173.55 2k4w h ASN 101 N 1.10 0.00 0.40 3.54 -0.00 -1.88 -1.91 115.58 116.83 2k4w h ASN 101 Ca -0.50 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.80 2k4w h ASN 101 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.61 2k4w h ASN 101 CO 0.56 0.00 -0.50 -0.67 -0.00 0.00 0.00 177.43 176.82 2k4w n ASP 102 N -2.15 0.67 0.00 6.14 2.03 -1.26 -4.82 116.55 117.16 2k4w n ASP 102 Ca -0.01 -0.46 0.00 0.00 0.52 0.00 0.00 54.79 54.83 2k4w n ASP 102 Cb 0.27 0.30 0.00 0.00 -0.72 0.00 0.00 41.12 40.97 2k4w n ASP 102 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k4w n GLY 103 N 1.47 1.10 3.07 0.27 0.00 -0.72 -5.01 105.19 105.37 2k4w n GLY 103 Ca 0.07 -0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 1.51 -0.40 -0.61 1.09 -1.25 -1.51 121.20 118.04 2k4w s ILE 104 Ca 0.00 -0.66 -0.23 0.00 -1.10 0.00 0.00 60.65 58.66 2k4w s ILE 104 Cb 0.00 -1.37 0.02 0.00 -1.06 0.00 0.00 42.46 40.04 2k4w s ILE 104 CO 0.00 0.44 0.78 0.00 -0.10 0.00 0.00 174.94 176.06 2k4w s ALA 105 N 0.87 3.37 0.00 9.38 0.00 -0.13 -2.35 121.76 132.90 2k4w s ALA 105 Ca -0.09 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.08 2k4w s ALA 105 Cb -0.15 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.56 2k4w s ALA 105 CO 0.00 -1.66 0.15 -2.37 0.00 0.00 0.00 175.76 171.88 2k4w n THR 106 N 5.93 0.00 -2.26 0.00 5.66 -1.26 -2.27 114.28 120.08 2k4w n THR 106 Ca 0.03 -0.21 -0.43 0.00 -3.05 0.00 0.00 64.05 60.39 2k4w n THR 106 Cb 0.48 1.42 -0.02 0.00 -1.55 0.00 0.00 70.33 70.66 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 -0.12 3.86 0.24 1.09 8.01 -1.26 -4.58 118.70 125.94 2k4w s GLU 107 Ca 0.00 1.47 -0.30 0.00 0.01 0.00 0.00 54.97 56.15 2k4w s GLU 107 Cb 0.00 -3.96 -0.09 0.00 -4.31 0.00 0.00 34.13 25.77 2k4w s GLU 107 CO 0.00 -1.20 1.11 -1.25 0.01 0.00 0.00 175.26 173.93 2k4w s PRO 108 N 4.41 4.61 0.16 0.39 0.04 -1.26 -4.37 135.00 138.99 2k4w s PRO 108 Ca 0.64 1.79 0.01 0.00 0.04 0.00 0.00 61.00 63.47 2k4w s PRO 108 Cb -0.21 -3.22 -0.04 0.00 0.04 0.00 0.00 34.50 31.07 2k4w s PRO 108 CO 0.26 0.15 0.03 0.14 0.04 0.00 0.00 177.00 177.62 2k4w s VAL 109 N -0.79 0.44 -0.01 -0.36 -7.23 -0.43 -5.02 120.40 107.00 2k4w s VAL 109 Ca 0.47 -1.95 0.02 0.00 -1.81 0.00 0.00 61.98 58.71 2k4w s VAL 109 Cb -0.31 -2.13 -0.00 0.00 0.56 0.00 0.00 36.38 34.50 2k4w s VAL 109 CO 0.39 -0.44 -0.08 -0.89 -0.31 0.00 0.00 175.10 173.77 2k4w s THR 110 N -3.82 0.66 -0.66 5.32 2.01 -1.26 -0.45 115.64 117.44 2k4w s THR 110 Ca 0.25 -0.34 0.00 0.00 0.31 0.00 0.00 61.69 61.91 2k4w s THR 110 Cb 0.07 -0.56 0.16 0.00 0.01 0.00 0.00 72.50 72.18 2k4w s THR 110 CO 0.04 0.19 0.46 0.00 -0.69 0.00 0.00 174.62 174.62 2k4w s ALA 111 N -0.10 3.66 -2.00 7.40 0.00 -0.45 -4.89 121.76 125.38 2k4w s ALA 111 Ca 0.02 -3.46 0.05 0.00 0.00 0.00 0.00 51.96 48.56 2k4w s ALA 111 Cb -0.04 -2.49 0.28 0.00 0.00 0.00 0.00 23.12 20.87 2k4w s ALA 111 CO -0.00 -2.09 0.65 -0.35 0.00 0.00 0.00 175.76 173.96 2k4w n PRO 112 N 2.95 0.31 0.09 0.00 -0.04 -1.18 -2.24 135.00 134.88 2k4w n PRO 112 Ca 0.11 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.49 2k4w n PRO 112 Cb 0.36 -1.23 -0.04 0.00 -0.04 0.00 0.00 33.50 32.55 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 0.11 -5.22 0.54 3.08 -1.93 -3.45 114.38 107.52 2k4w h ARG 113 Ca 0.00 -0.14 -0.64 0.00 0.07 0.00 0.00 59.98 59.26 2k4w h ARG 113 Cb 0.00 0.05 -0.23 0.00 0.08 0.00 0.00 29.97 29.86 2k4w h ARG 113 CO 0.00 0.96 -0.68 -0.51 -1.07 0.00 0.00 179.97 178.66 2k4w s LEU 114 N -7.18 3.14 0.00 3.04 2.01 -0.95 -5.02 118.68 113.72 2k4w s LEU 114 Ca -0.01 -0.20 0.00 0.00 0.01 0.00 0.00 54.13 53.92 2k4w s LEU 114 Cb 0.10 -1.77 0.00 0.00 0.01 0.00 0.00 46.19 44.53 2k4w s LEU 114 CO 0.82 0.12 0.59 0.29 1.01 0.00 0.00 176.35 179.18 2k4w n LYS 115 N 3.86 -0.30 -3.81 1.70 5.02 -1.26 -2.23 118.16 121.13 2k4w n LYS 115 Ca -0.17 -0.67 -0.09 0.00 -2.02 0.00 0.00 58.31 55.35 2k4w n LYS 115 Cb 0.52 -1.00 -0.04 0.00 -0.02 0.00 0.00 35.03 34.49 2k4w n LYS 115 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2k4w s SER 116 N -0.17 -0.19 0.44 4.39 0.01 -1.26 -4.69 113.70 112.23 2k4w s SER 116 Ca 0.00 -0.61 0.14 0.00 1.31 0.00 0.00 55.95 56.80 2k4w s SER 116 Cb 0.00 0.56 0.97 0.00 0.21 0.00 0.00 66.02 67.76 2k4w s SER 116 CO 0.00 -1.05 1.97 -0.07 0.41 0.00 0.00 173.24 174.50 2k4w h LEU 117 N 2.25 0.00 -0.90 2.44 -0.00 -1.95 -3.34 115.31 113.82 2k4w h LEU 117 Ca -0.28 0.00 0.23 0.00 -0.00 0.00 0.00 57.88 57.83 2k4w h LEU 117 Cb 1.25 0.00 -0.16 0.00 -0.00 0.00 0.00 40.66 41.75 2k4w h LEU 117 CO 0.38 0.21 0.05 0.44 -0.00 0.00 0.00 178.44 179.52 2k4w h ASP 118 N 0.00 -0.37 0.21 -0.43 5.19 -2.00 0.14 116.42 119.16 2k4w h ASP 118 Ca -0.00 0.24 0.00 0.00 -0.62 0.00 0.00 57.03 56.65 2k4w h ASP 118 Cb 0.37 0.41 0.00 0.00 0.18 0.00 0.00 39.33 40.29 2k4w h ASP 118 CO 0.03 -0.27 0.00 -1.84 -3.12 0.00 0.00 179.24 174.04 2k4w n GLU 119 N -5.40 0.62 -0.13 3.56 0.00 -1.25 -3.48 120.64 114.55 2k4w n GLU 119 Ca 0.20 0.02 0.02 0.00 0.00 0.00 0.00 57.16 57.39 2k4w n GLU 119 Cb 0.65 -1.50 0.02 0.00 0.00 0.00 0.00 31.44 30.61 2k4w n GLU 119 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 2k4w n VAL 120 N -1.13 0.53 0.22 3.84 0.24 0.40 -4.88 118.33 117.55 2k4w n VAL 120 Ca 0.16 -0.59 0.13 0.00 -2.04 0.00 0.00 64.34 62.01 2k4w n VAL 120 Cb 0.14 0.57 0.71 0.00 -1.47 0.00 0.00 33.84 33.79 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 -0.16 7.34 2.10 -1.37 -2.26 116.57 122.22 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 0.97 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.30 2k4w h LYS 121 CO 0.00 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.05 2k4w n ASP 122 N -2.47 2.32 -4.69 7.07 5.75 -1.26 -4.66 116.55 118.61 2k4w n ASP 122 Ca -0.02 -1.71 -0.29 0.00 -0.01 0.00 0.00 54.79 52.76 2k4w n ASP 122 Cb 0.14 -0.10 -0.09 0.00 -1.03 0.00 0.00 41.12 40.04 2k4w n ASP 122 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2k4w s LYS 123 N -0.91 2.08 -0.02 0.11 1.02 -0.85 -0.60 119.74 120.57 2k4w s LYS 123 Ca 0.16 -2.18 0.00 0.00 0.02 0.00 0.00 55.97 53.97 2k4w s LYS 123 Cb 0.09 -1.65 -0.04 0.00 -0.52 0.00 0.00 37.83 35.72 2k4w s LYS 123 CO 0.13 -0.19 0.02 0.00 -0.92 0.00 0.00 175.35 174.40 2k4w s ALA 124 N -2.76 3.36 -0.16 5.17 0.00 -1.22 -1.33 121.76 124.83 2k4w s ALA 124 Ca 0.25 -0.91 -0.05 0.00 0.00 0.00 0.00 51.96 51.25 2k4w s ALA 124 Cb 0.06 -1.43 -0.03 0.00 0.00 0.00 0.00 23.12 21.72 2k4w s ALA 124 CO 0.13 0.65 0.02 -0.51 0.00 0.00 0.00 175.76 176.05 2k4w s LEU 125 N -1.49 3.59 -0.07 0.00 1.43 -0.33 -2.45 118.68 119.36 2k4w s LEU 125 Ca 0.19 0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 2k4w s LEU 125 Cb -0.12 -1.88 0.02 0.00 0.03 0.00 0.00 46.19 44.25 2k4w s LEU 125 CO 0.10 0.21 -0.05 -0.04 0.23 0.00 0.00 176.35 176.80 2k4w s MET 126 N 0.13 1.05 -0.36 1.70 -1.94 -0.04 -1.18 119.30 118.66 2k4w s MET 126 Ca 0.02 -0.12 -0.26 0.00 -1.71 0.00 0.00 55.69 53.62 2k4w s MET 126 Cb -0.13 -1.14 0.01 0.00 2.01 0.00 0.00 34.83 35.59 2k4w s MET 126 CO 0.02 -0.18 0.95 0.42 -0.01 0.00 0.00 175.02 176.22 2k4w s ILE 127 N 1.41 4.57 0.03 2.53 1.01 0.26 -1.98 121.20 129.02 2k4w s ILE 127 Ca -0.03 1.31 -0.03 0.00 0.00 0.00 0.00 60.65 61.91 2k4w s ILE 127 Cb -0.13 -4.35 -0.04 0.00 0.01 0.00 0.00 42.46 37.95 2k4w s ILE 127 CO -0.03 -0.52 0.22 -1.00 0.00 0.00 0.00 174.94 173.61 2k4w s HIS 128 N 3.50 3.54 -0.01 3.97 3.76 0.02 -0.58 115.29 129.49 2k4w s HIS 128 Ca 0.40 0.37 -0.25 0.00 -0.15 0.00 0.00 55.06 55.42 2k4w s HIS 128 Cb -0.12 -1.84 -0.19 0.00 1.11 0.00 0.00 32.58 31.53 2k4w s HIS 128 CO 0.18 0.61 1.30 0.28 -0.85 0.00 0.00 174.74 176.26 2k4w h VAL 129 N 2.57 1.29 -4.14 -0.90 2.07 -0.83 -2.69 116.25 113.62 2k4w h VAL 129 Ca -0.48 -1.00 -0.49 0.00 0.82 0.00 0.00 66.70 65.55 2k4w h VAL 129 Cb 1.18 1.96 0.06 0.00 -1.52 0.00 0.00 31.29 32.97 2k4w h VAL 129 CO 0.71 0.26 0.39 -0.83 0.02 0.00 0.00 177.57 178.11 2k4w s GLY 130 N -3.06 2.32 0.00 2.17 0.00 -0.92 -4.46 107.32 103.38 2k4w s GLY 130 Ca -0.15 0.54 0.00 0.00 0.00 0.00 0.00 44.72 45.11 2k4w s GLY 130 CO 0.66 0.87 0.00 0.61 0.00 0.00 0.00 173.10 175.24 2k4w n GLY 131 N -0.54 -1.22 3.03 0.20 0.00 -1.26 -0.62 105.19 104.79 2k4w n GLY 131 Ca 0.10 -1.59 -0.03 0.00 0.00 0.00 0.00 46.02 44.49 2k4w n GLY 131 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k4w s ASP 132 N -1.12 -0.58 0.00 1.61 -1.08 -1.26 -4.46 116.67 109.78 2k4w s ASP 132 Ca 0.00 -0.24 0.00 0.00 -0.52 0.00 0.00 52.55 51.79 2k4w s ASP 132 Cb 0.00 1.54 0.00 0.00 -1.46 0.00 0.00 42.92 43.00 2k4w s ASP 132 CO 0.00 -0.31 0.00 -0.46 0.52 0.00 0.00 175.17 174.92 2k4w n ASN 133 N 5.25 0.00 -3.57 -0.34 6.94 -1.05 -4.28 115.26 118.21 2k4w n ASN 133 Ca 0.04 -0.16 -0.27 0.00 -0.02 0.00 0.00 54.58 54.17 2k4w n ASN 133 Cb 0.52 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.84 2k4w n ASN 133 CO 0.00 0.00 0.00 1.15 -1.03 0.00 0.00 177.26 177.38 2k4w n MET 134 N 0.00 1.39 -2.21 -3.83 0.00 0.13 -4.59 117.12 108.01 2k4w n MET 134 Ca 0.00 -4.01 -0.43 0.00 0.00 0.00 0.00 57.70 53.26 2k4w n MET 134 Cb 0.08 -1.98 -0.02 0.00 0.00 0.00 0.00 33.22 31.30 2k4w n MET 134 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 2k4w s SER 135 N -1.24 6.15 0.00 3.17 1.04 -1.26 -3.78 113.70 117.79 2k4w s SER 135 Ca 0.31 1.01 0.00 0.00 0.48 0.00 0.00 55.95 57.75 2k4w s SER 135 Cb 0.05 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.63 2k4w s SER 135 CO -0.14 -1.55 0.00 -0.67 0.98 0.00 0.00 173.24 171.86 2k4w n ASP 136 N 9.42 -0.28 -3.58 7.02 2.03 -1.18 -5.02 116.55 124.96 2k4w n ASP 136 Ca 0.19 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 55.35 2k4w n ASP 136 Cb 0.47 0.09 -0.07 0.00 -0.72 0.00 0.00 41.12 40.90 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 -4.51 0.91 -0.14 -0.67 0.00 -1.26 -5.07 119.66 108.93 2k4w s GLN 137 Ca 0.00 0.66 -0.22 0.00 -0.00 0.00 0.00 55.36 55.80 2k4w s GLN 137 Cb 0.00 0.44 -0.19 0.00 0.00 0.00 0.00 33.01 33.25 2k4w s GLN 137 CO 0.00 -0.20 0.52 -1.00 0.00 0.00 0.00 175.29 174.61 2k4w h PRO 138 N 4.09 0.00 -6.26 9.60 0.13 -2.02 -3.43 132.00 134.11 2k4w h PRO 138 Ca -0.28 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.29 2k4w h PRO 138 Cb 1.15 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 2k4w h PRO 138 CO 0.20 0.78 1.15 0.15 -0.23 0.00 0.00 178.00 180.05 2k4w s LYS 139 N -2.11 3.85 0.84 0.86 1.02 -1.26 -4.95 119.74 117.98 2k4w s LYS 139 Ca -0.17 1.86 -0.11 0.00 0.02 0.00 0.00 55.97 57.57 2k4w s LYS 139 Cb -0.01 -4.06 0.09 0.00 -0.52 0.00 0.00 37.83 33.33 2k4w s LYS 139 CO 0.53 -1.24 1.09 -1.25 -0.92 0.00 0.00 175.35 173.56 2k4w s PRO 140 N 4.66 1.76 0.00 -1.68 0.04 -1.26 -4.22 135.00 134.30 2k4w s PRO 140 Ca 0.75 0.72 0.00 0.00 0.04 0.00 0.00 61.00 62.51 2k4w s PRO 140 Cb -0.28 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.38 2k4w s PRO 140 CO 0.30 -1.87 0.00 -0.11 0.04 0.00 0.00 177.00 175.37 2k4w n LEU 141 N -3.61 0.00 0.00 -3.56 7.94 -1.26 -2.41 117.00 114.10 2k4w n LEU 141 Ca 0.07 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.97 2k4w n LEU 141 Cb 0.56 -0.15 0.00 0.00 0.53 0.00 0.00 43.42 44.36 2k4w n LEU 141 CO 0.56 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.45 2k4w n GLY 142 N -1.86 0.64 4.33 -3.96 0.00 -1.26 -4.88 105.19 98.21 2k4w n GLY 142 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2k4w n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4w n GLY 143 N 0.00 1.81 2.82 -0.02 0.00 -1.01 -4.76 105.19 104.03 2k4w n GLY 143 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.73 5.81 0.02 -0.02 0.00 -1.26 -4.89 105.19 104.11 2k4w n GLY 144 Ca 0.00 -2.71 0.16 0.00 0.00 0.00 0.00 46.02 43.47 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 -0.15 -1.06 3.75 -0.02 0.00 -1.26 -2.15 105.19 104.30 2k4w n GLY 145 Ca 0.37 -0.19 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.19 2.36 0.14 2.61 -4.23 -1.26 -4.90 115.64 108.16 2k4w s THR 146 Ca 0.41 0.26 0.05 0.00 -1.18 0.00 0.00 61.69 61.23 2k4w s THR 146 Cb 0.21 -3.13 -0.04 0.00 1.34 0.00 0.00 72.50 70.89 2k4w s THR 146 CO 0.40 -0.01 0.10 -0.13 -0.54 0.00 0.00 174.62 174.45 2k4w s ARG 147 N -2.91 2.84 -0.02 3.99 3.00 -1.26 -0.36 118.95 124.23 2k4w s ARG 147 Ca 0.71 -0.83 0.21 0.00 0.00 0.00 0.00 55.73 55.81 2k4w s ARG 147 Cb -0.37 -2.64 -0.27 0.00 0.00 0.00 0.00 34.95 31.67 2k4w s ARG 147 CO 0.43 0.51 0.51 0.98 0.00 0.00 0.00 175.30 177.73 2k4w n TYR 148 N -0.06 0.18 -3.54 -0.53 9.36 0.25 -4.75 117.16 118.07 2k4w n TYR 148 Ca -0.09 0.05 -0.11 0.00 3.32 0.00 0.00 57.90 61.08 2k4w n TYR 148 Cb 0.54 -0.67 -0.02 0.00 -0.63 0.00 0.00 39.34 38.55 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 -3.31 -1.40 0.02 2.98 0.00 -0.99 -4.23 121.76 114.84 2k4w s ALA 149 Ca -0.07 0.24 -0.04 0.00 0.00 0.00 0.00 51.96 52.09 2k4w s ALA 149 Cb 0.12 0.86 -0.01 0.00 0.00 0.00 0.00 23.12 24.08 2k4w s ALA 149 CO 0.88 -0.80 0.05 0.00 0.00 0.00 0.00 175.76 175.89 2k4w s GLY 151 N -1.73 -0.34 -0.09 0.00 0.00 -0.32 -0.45 107.32 104.38 2k4w s GLY 151 Ca -0.11 1.47 -0.18 0.00 0.00 0.00 0.00 44.72 45.91 2k4w s GLY 151 CO -0.02 1.49 0.46 0.14 0.00 0.00 0.00 173.10 175.17 2k4w s VAL 152 N 0.97 5.15 0.30 1.40 1.01 -1.26 -1.18 120.40 126.78 2k4w s VAL 152 Ca -0.06 0.93 -0.29 0.00 0.00 0.00 0.00 61.98 62.56 2k4w s VAL 152 Cb -0.06 -3.80 -0.10 0.00 0.00 0.00 0.00 36.38 32.42 2k4w s VAL 152 CO -0.08 0.38 1.19 -0.63 0.00 0.00 0.00 175.10 175.96 2k4w s ILE 153 N 0.27 3.14 -2.10 2.22 1.01 -0.44 -4.76 121.20 120.54 2k4w s ILE 153 Ca 0.25 1.15 0.17 0.00 0.00 0.00 0.00 60.65 62.22 2k4w s ILE 153 Cb -0.15 -3.73 0.13 0.00 0.01 0.00 0.00 42.46 38.71 2k4w s ILE 153 CO 0.11 0.28 1.03 0.29 0.00 0.00 0.00 174.94 176.65