#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 -0.43 -0.24 0.00 0.01 -1.26 -2.20 113.70 109.57 2k4w s SER 2 Ca 0.00 0.29 -0.10 0.00 1.31 0.00 0.00 55.95 57.46 2k4w s SER 2 Cb 0.00 0.46 0.10 0.00 0.21 0.00 0.00 66.02 66.79 2k4w s SER 2 CO 0.00 -0.63 0.53 -0.70 0.41 0.00 0.00 173.24 172.86 2k4w s GLU 3 N -1.87 0.47 -1.13 12.44 2.56 0.32 -5.01 118.70 126.48 2k4w s GLU 3 Ca -0.09 1.17 -0.14 0.00 0.00 0.00 0.00 54.97 55.92 2k4w s GLU 3 Cb -0.01 0.45 0.17 0.00 2.00 0.00 0.00 34.13 36.73 2k4w s GLU 3 CO 0.03 -0.21 1.33 -1.59 -0.56 0.00 0.00 175.26 174.26 2k4w s LYS 4 N 2.41 3.99 -0.22 4.30 -2.85 -1.26 -0.59 119.74 125.53 2k4w s LYS 4 Ca -0.05 -2.47 -0.29 0.00 -1.00 0.00 0.00 55.97 52.16 2k4w s LYS 4 Cb -0.11 -4.98 -0.02 0.00 -2.06 0.00 0.00 37.83 30.67 2k4w s LYS 4 CO -0.16 -1.71 1.49 0.08 0.10 0.00 0.00 175.35 175.15 2k4w s VAL 5 N 1.53 3.87 -1.00 1.79 1.01 -0.22 -4.75 120.40 122.63 2k4w s VAL 5 Ca 0.39 1.00 -0.23 0.00 0.00 0.00 0.00 61.98 63.14 2k4w s VAL 5 Cb -0.04 -3.84 0.04 0.00 0.00 0.00 0.00 36.38 32.55 2k4w s VAL 5 CO -0.03 -0.30 1.49 -0.83 0.00 0.00 0.00 175.10 175.43 2k4w s GLY 6 N 3.50 1.15 -0.12 4.51 0.00 -1.26 -0.96 107.32 114.14 2k4w s GLY 6 Ca 0.66 -2.16 -0.29 0.00 0.00 0.00 0.00 44.72 42.92 2k4w s GLY 6 CO 0.26 2.76 1.37 1.06 0.00 0.00 0.00 173.10 178.54 2k4w s MET 7 N 5.19 4.23 -0.02 2.90 -1.94 -1.02 -4.67 119.30 123.97 2k4w s MET 7 Ca 0.48 1.82 -0.01 0.00 -1.71 0.00 0.00 55.69 56.27 2k4w s MET 7 Cb -0.01 -3.79 -0.04 0.00 2.01 0.00 0.00 34.83 33.00 2k4w s MET 7 CO -0.08 -0.71 0.07 1.21 -0.01 0.00 0.00 175.02 175.50 2k4w s ASN 8 N 2.27 5.66 -1.11 3.03 3.84 0.08 -3.82 114.94 124.90 2k4w s ASN 8 Ca 0.60 0.17 -0.15 0.00 0.21 0.00 0.00 52.86 53.69 2k4w s ASN 8 Cb -0.26 -1.64 -0.07 0.00 -0.55 0.00 0.00 41.25 38.74 2k4w s ASN 8 CO 0.20 0.29 2.19 0.18 -2.79 0.00 0.00 177.10 177.17 2k4w n LEU 9 N 1.36 5.69 -4.76 3.21 4.77 -0.32 -1.81 117.00 125.13 2k4w n LEU 9 Ca -0.14 -3.44 -0.41 0.00 -0.03 0.00 0.00 56.01 51.99 2k4w n LEU 9 Cb 0.53 -1.32 -0.02 0.00 -2.33 0.00 0.00 43.42 40.27 2k4w n LEU 9 CO 0.36 0.59 0.98 0.68 -1.33 0.00 0.00 177.39 178.68 2k4w s VAL 10 N 3.77 2.81 -0.42 4.08 -7.23 -1.26 -4.28 120.40 117.87 2k4w s VAL 10 Ca 0.52 0.78 0.05 0.00 -1.81 0.00 0.00 61.98 61.52 2k4w s VAL 10 Cb 0.14 -3.50 0.32 0.00 0.56 0.00 0.00 36.38 33.90 2k4w s VAL 10 CO 0.00 0.17 1.20 1.07 -0.31 0.00 0.00 175.10 177.23 2k4w n THR 11 N 1.18 0.00 0.00 5.32 5.66 -1.24 -4.76 114.28 120.44 2k4w n THR 11 Ca 0.01 -1.21 0.00 0.00 -3.05 0.00 0.00 64.05 59.80 2k4w n THR 11 Cb 0.42 1.35 0.00 0.00 -1.55 0.00 0.00 70.33 70.55 2k4w n THR 11 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2k4w n ALA 12 N 0.53 0.00 0.28 1.79 0.00 -1.26 -4.66 120.51 117.19 2k4w n ALA 12 Ca 0.02 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.63 2k4w n ALA 12 Cb 0.71 0.00 0.82 0.00 0.00 0.00 0.00 19.45 20.99 2k4w n ALA 12 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2k4w h GLN 13 N 0.17 0.00 0.00 0.00 1.08 -1.95 -3.45 115.11 110.95 2k4w h GLN 13 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2k4w h GLN 13 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2k4w h GLN 13 CO 0.00 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.29 2k4w n GLY 14 N -0.84 0.16 3.71 3.46 0.00 -1.26 -5.01 105.19 105.42 2k4w n GLY 14 Ca -0.01 -2.29 -0.42 0.00 0.00 0.00 0.00 46.02 43.29 2k4w n GLY 14 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2k4w n VAL 15 N 0.00 1.90 0.00 1.61 0.31 -1.26 -3.59 118.33 117.29 2k4w n VAL 15 Ca 0.00 -0.48 0.00 0.00 -0.01 0.00 0.00 64.34 63.85 2k4w n VAL 15 Cb 0.00 -1.66 0.00 0.00 -0.91 0.00 0.00 33.84 31.27 2k4w n VAL 15 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2k4w n GLY 16 N 0.84 1.53 3.59 2.92 0.00 -1.26 -4.99 105.19 107.82 2k4w n GLY 16 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 2k4w n GLY 16 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2k4w s GLN 17 N 3.82 2.01 0.15 1.61 0.00 -1.26 -4.90 119.66 121.08 2k4w s GLN 17 Ca 0.00 -1.70 0.06 0.00 -0.00 0.00 0.00 55.36 53.72 2k4w s GLN 17 Cb 0.00 -1.92 -0.04 0.00 0.00 0.00 0.00 33.01 31.05 2k4w s GLN 17 CO 0.00 0.23 -0.14 0.45 0.00 0.00 0.00 175.29 175.83 2k4w s SER 18 N -3.65 2.19 0.00 12.60 0.15 -1.26 -1.18 113.70 122.55 2k4w s SER 18 Ca 0.33 -0.89 0.00 0.00 0.70 0.00 0.00 55.95 56.09 2k4w s SER 18 Cb -0.02 -0.09 0.00 0.00 -1.71 0.00 0.00 66.02 64.20 2k4w s SER 18 CO 0.18 -0.16 0.38 2.30 1.20 0.00 0.00 173.24 177.15 2k4w n ILE 19 N 0.22 0.01 0.00 6.45 -0.00 -1.25 -5.00 119.36 119.79 2k4w n ILE 19 Ca -0.13 -0.01 0.00 0.00 -0.00 0.00 0.00 62.75 62.61 2k4w n ILE 19 Cb 0.58 1.24 0.00 0.00 -0.00 0.00 0.00 39.64 41.46 2k4w n ILE 19 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2k4w n GLY 20 N -0.00 1.22 3.94 3.28 0.00 -1.26 -3.29 105.19 109.07 2k4w n GLY 20 Ca 0.00 -1.32 -0.21 0.00 0.00 0.00 0.00 46.02 44.49 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 -1.92 2.31 -0.11 2.61 -4.23 -1.26 -2.44 115.64 110.60 2k4w s THR 21 Ca 0.00 -1.26 0.02 0.00 -1.18 0.00 0.00 61.69 59.27 2k4w s THR 21 Cb 0.00 -2.57 0.01 0.00 1.34 0.00 0.00 72.50 71.28 2k4w s THR 21 CO 0.00 0.00 -0.18 -0.69 -0.54 0.00 0.00 174.62 173.21 2k4w s VAL 22 N -2.58 1.69 -0.26 2.29 1.01 -0.14 -3.15 120.40 119.26 2k4w s VAL 22 Ca 0.48 -0.77 -0.21 0.00 0.00 0.00 0.00 61.98 61.48 2k4w s VAL 22 Cb -0.04 -1.51 -0.01 0.00 0.00 0.00 0.00 36.38 34.81 2k4w s VAL 22 CO 0.29 0.48 0.68 0.54 0.00 0.00 0.00 175.10 177.09 2k4w s VAL 23 N 0.79 4.94 -0.21 2.92 0.11 0.34 -1.06 120.40 128.24 2k4w s VAL 23 Ca -0.10 1.21 -0.13 0.00 -2.93 0.00 0.00 61.98 60.03 2k4w s VAL 23 Cb -0.16 -3.99 -0.05 0.00 -1.53 0.00 0.00 36.38 30.66 2k4w s VAL 23 CO 0.01 -0.02 0.26 -0.63 -3.33 0.00 0.00 175.10 171.39 2k4w s ILE 24 N 2.60 5.30 -0.07 7.04 1.01 0.24 -0.57 121.20 136.75 2k4w s ILE 24 Ca 0.28 0.43 0.01 0.00 0.00 0.00 0.00 60.65 61.38 2k4w s ILE 24 Cb -0.15 -3.60 0.02 0.00 0.01 0.00 0.00 42.46 38.73 2k4w s ILE 24 CO 0.09 0.33 -0.09 -0.62 0.00 0.00 0.00 174.94 174.65 2k4w s ASP 25 N 0.85 1.69 0.18 3.58 2.15 -0.32 -0.52 116.67 124.29 2k4w s ASP 25 Ca 0.13 -0.26 -0.30 0.00 0.43 0.00 0.00 52.55 52.56 2k4w s ASP 25 Cb -0.13 -0.74 -0.08 0.00 -0.30 0.00 0.00 42.92 41.67 2k4w s ASP 25 CO 0.05 -0.03 1.05 -0.70 -0.17 0.00 0.00 175.17 175.36 2k4w s GLU 26 N 1.01 4.66 0.21 4.34 2.12 -0.93 -0.70 118.70 129.42 2k4w s GLU 26 Ca -0.08 1.63 -0.05 0.00 0.36 0.00 0.00 54.97 56.83 2k4w s GLU 26 Cb -0.15 -3.29 0.02 0.00 0.26 0.00 0.00 34.13 30.97 2k4w s GLU 26 CO -0.00 0.19 0.37 -2.37 -0.54 0.00 0.00 175.26 172.90 2k4w n THR 27 N 2.19 0.00 0.16 -1.70 5.66 0.18 -4.70 114.28 116.08 2k4w n THR 27 Ca 0.01 -0.78 0.02 0.00 -3.05 0.00 0.00 64.05 60.25 2k4w n THR 27 Cb 0.47 0.59 0.34 0.00 -1.55 0.00 0.00 70.33 70.18 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 0.06 -0.21 1.09 4.81 -1.97 0.60 114.58 118.96 2k4w h GLU 28 Ca -0.17 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 2k4w h GLU 28 Cb 0.69 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.06 2k4w h GLU 28 CO 0.23 0.41 0.00 0.41 -0.73 0.00 0.00 179.01 179.32 2k4w n GLY 29 N -0.48 -0.38 6.53 1.92 0.00 -1.26 -4.98 105.19 106.53 2k4w n GLY 29 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2k4w n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4w n GLY 30 N 0.47 0.29 3.56 -0.02 0.00 0.20 -2.27 105.19 107.42 2k4w n GLY 30 Ca 0.01 -1.01 -0.41 0.00 0.00 0.00 0.00 46.02 44.61 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 3.27 -0.50 0.99 1.43 -0.68 -0.64 118.68 122.54 2k4w s LEU 31 Ca 0.00 -0.28 -0.29 0.00 -1.03 0.00 0.00 54.13 52.53 2k4w s LEU 31 Cb 0.00 -2.75 0.02 0.00 0.03 0.00 0.00 46.19 43.50 2k4w s LEU 31 CO 0.00 -1.72 1.27 -0.75 0.23 0.00 0.00 176.35 175.38 2k4w s LYS 32 N 5.48 3.56 -0.30 1.70 2.20 0.13 -1.30 119.74 131.20 2k4w s LYS 32 Ca 0.37 0.56 -0.10 0.00 -0.36 0.00 0.00 55.97 56.44 2k4w s LYS 32 Cb -0.08 -4.00 -0.02 0.00 -1.51 0.00 0.00 37.83 32.22 2k4w s LYS 32 CO 0.18 -1.60 0.17 0.12 -0.36 0.00 0.00 175.35 173.86 2k4w s PHE 33 N 5.12 3.18 -0.20 4.03 5.36 0.64 -1.17 117.98 134.94 2k4w s PHE 33 Ca 0.51 -0.32 -0.00 0.00 -0.96 0.00 0.00 56.93 56.16 2k4w s PHE 33 Cb -0.09 -2.37 0.05 0.00 -0.34 0.00 0.00 43.02 40.27 2k4w s PHE 33 CO 0.29 -0.36 -0.05 0.99 -1.46 0.00 0.00 175.22 174.64 2k4w s THR 34 N 1.67 1.30 0.45 0.12 2.01 0.26 -1.48 115.64 119.96 2k4w s THR 34 Ca 0.06 -0.92 -0.05 0.00 0.31 0.00 0.00 61.69 61.09 2k4w s THR 34 Cb -0.17 -1.53 -0.04 0.00 0.01 0.00 0.00 72.50 70.77 2k4w s THR 34 CO 0.08 0.00 0.73 -2.16 -0.69 0.00 0.00 174.62 172.58 2k4w s PRO 35 N 1.52 3.55 0.00 4.92 0.04 -1.26 -0.50 135.00 143.27 2k4w s PRO 35 Ca -0.03 0.12 0.06 0.00 0.04 0.00 0.00 61.00 61.20 2k4w s PRO 35 Cb -0.17 -2.44 0.10 0.00 0.04 0.00 0.00 34.50 32.03 2k4w s PRO 35 CO -0.07 -0.12 0.91 -2.39 0.04 0.00 0.00 177.00 175.37 2k4w n HIS 36 N -2.06 0.00 -3.08 0.56 1.44 -1.11 -4.24 115.22 106.73 2k4w n HIS 36 Ca -0.00 -0.27 -0.39 0.00 -2.01 0.00 0.00 57.72 55.05 2k4w n HIS 36 Cb 0.55 0.17 -0.06 0.00 0.12 0.00 0.00 29.99 30.77 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 4.48 0.41 2.39 1.02 -1.19 -4.77 118.68 121.02 2k4w s LEU 37 Ca 0.08 1.39 -0.07 0.00 0.02 0.00 0.00 54.13 55.55 2k4w s LEU 37 Cb 0.09 -3.12 -0.05 0.00 0.02 0.00 0.00 46.19 43.14 2k4w s LEU 37 CO -0.04 0.12 0.73 -1.59 0.02 0.00 0.00 176.35 175.58 2k4w s LYS 38 N -0.47 3.65 0.00 1.70 -2.85 -1.21 -0.32 119.74 120.24 2k4w s LYS 38 Ca 0.35 0.24 0.00 0.00 -1.00 0.00 0.00 55.97 55.56 2k4w s LYS 38 Cb -0.20 -2.44 0.00 0.00 -2.06 0.00 0.00 37.83 33.12 2k4w s LYS 38 CO 0.22 -0.05 0.00 0.00 0.10 0.00 0.00 175.35 175.62 2k4w n ALA 39 N -1.62 0.00 -2.74 0.59 0.00 -0.28 -4.85 120.51 111.61 2k4w n ALA 39 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.18 2k4w n ALA 39 Cb 0.54 -0.05 -0.07 0.00 0.00 0.00 0.00 19.45 19.88 2k4w n ALA 39 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2k4w s LEU 40 N 0.00 3.59 0.29 0.00 1.02 -1.08 -5.08 118.68 117.42 2k4w s LEU 40 Ca 0.00 -0.23 -0.29 0.00 0.02 0.00 0.00 54.13 53.63 2k4w s LEU 40 Cb 0.00 -2.23 -0.10 0.00 0.02 0.00 0.00 46.19 43.88 2k4w s LEU 40 CO 0.00 0.09 1.34 -2.16 0.02 0.00 0.00 176.35 175.64 2k4w s PRO 41 N -2.96 4.34 -0.44 1.29 0.04 -1.26 -4.43 135.00 131.58 2k4w s PRO 41 Ca 0.29 2.20 -0.05 0.00 0.04 0.00 0.00 61.00 63.48 2k4w s PRO 41 Cb -0.10 -3.10 -0.09 0.00 0.04 0.00 0.00 34.50 31.25 2k4w s PRO 41 CO 0.21 -0.25 3.12 -0.35 0.04 0.00 0.00 177.00 179.76 2k4w n PRO 42 N 1.54 2.54 -0.42 0.56 -0.04 -1.26 -4.81 135.00 133.11 2k4w n PRO 42 Ca 0.03 -1.87 0.00 0.00 -0.04 0.00 0.00 63.50 61.62 2k4w n PRO 42 Cb 0.42 -2.18 0.00 0.00 -0.04 0.00 0.00 33.50 31.69 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 1.86 5.62 3.77 0.55 0.00 -1.21 -4.27 105.19 111.52 2k4w n GLY 43 Ca 0.50 -2.07 -0.39 0.00 0.00 0.00 0.00 46.02 44.06 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 0.68 4.60 -0.03 1.61 2.02 -1.26 -1.84 118.70 124.48 2k4w s GLU 44 Ca 0.00 1.20 -0.02 0.00 0.02 0.00 0.00 54.97 56.17 2k4w s GLU 44 Cb 0.00 -3.24 0.02 0.00 0.10 0.00 0.00 34.13 31.01 2k4w s GLU 44 CO 0.00 0.55 0.08 -1.01 0.02 0.00 0.00 175.26 174.90 2k4w s HIS 45 N -1.18 -0.07 1.09 1.61 3.76 -1.25 -2.98 115.29 116.26 2k4w s HIS 45 Ca 0.37 0.23 -0.13 0.00 -0.15 0.00 0.00 55.06 55.38 2k4w s HIS 45 Cb -0.23 -0.04 0.24 0.00 1.11 0.00 0.00 32.58 33.66 2k4w s HIS 45 CO 0.27 -0.07 1.06 0.20 -0.85 0.00 0.00 174.74 175.35 2k4w s GLY 46 N 0.41 1.55 -0.22 -2.22 0.00 -0.02 0.01 107.32 106.84 2k4w s GLY 46 Ca -0.03 -0.27 -0.14 0.00 0.00 0.00 0.00 44.72 44.28 2k4w s GLY 46 CO -0.02 0.41 0.54 -0.12 0.00 0.00 0.00 173.10 173.91 2k4w s PHE 47 N -2.73 -0.76 0.31 1.90 5.36 -1.25 -1.35 117.98 119.47 2k4w s PHE 47 Ca 0.67 1.62 0.03 0.00 -0.96 0.00 0.00 56.93 58.29 2k4w s PHE 47 Cb -0.22 0.38 -0.06 0.00 -0.34 0.00 0.00 43.02 42.78 2k4w s PHE 47 CO 0.61 -0.39 0.07 -1.01 -1.46 0.00 0.00 175.22 173.04 2k4w s HIS 48 N 1.18 1.85 0.03 10.12 3.76 -1.12 -3.76 115.29 127.35 2k4w s HIS 48 Ca -0.07 -1.03 -0.03 0.00 -0.15 0.00 0.00 55.06 53.77 2k4w s HIS 48 Cb -0.06 -1.18 -0.04 0.00 1.11 0.00 0.00 32.58 32.40 2k4w s HIS 48 CO -0.12 -0.10 0.23 0.42 -0.85 0.00 0.00 174.74 174.33 2k4w s ILE 49 N -3.41 5.37 0.15 0.60 1.01 -1.02 -2.17 121.20 121.73 2k4w s ILE 49 Ca 0.36 -0.12 0.10 0.00 0.00 0.00 0.00 60.65 60.99 2k4w s ILE 49 Cb 0.08 -3.58 -0.04 0.00 0.01 0.00 0.00 42.46 38.94 2k4w s ILE 49 CO 0.15 0.26 -0.22 -1.00 0.00 0.00 0.00 174.94 174.13 2k4w s HIS 50 N -1.40 2.05 0.38 3.97 3.76 0.07 -3.37 115.29 120.75 2k4w s HIS 50 Ca 0.31 -0.41 0.10 0.00 -0.15 0.00 0.00 55.06 54.91 2k4w s HIS 50 Cb -0.13 -1.07 0.76 0.00 1.11 0.00 0.00 32.58 33.26 2k4w s HIS 50 CO 0.21 0.34 1.88 0.00 -0.85 0.00 0.00 174.74 176.32 2k4w h ALA 51 N 3.61 1.46 -1.60 -1.40 0.00 -1.08 -3.30 119.26 116.94 2k4w h ALA 51 Ca -0.46 -0.25 -0.56 0.00 0.00 0.00 0.00 54.91 53.63 2k4w h ALA 51 Cb 1.19 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.83 2k4w h ALA 51 CO 0.44 0.38 -0.50 -0.80 0.00 0.00 0.00 179.25 178.78 2k4w s ASN 52 N -6.91 4.44 -0.87 0.00 0.01 0.55 -4.82 114.94 107.35 2k4w s ASN 52 Ca -0.05 -1.06 0.01 0.00 -0.71 0.00 0.00 52.86 51.05 2k4w s ASN 52 Cb 0.15 -0.49 0.29 0.00 0.41 0.00 0.00 41.25 41.62 2k4w s ASN 52 CO 0.73 -0.54 1.23 0.61 -1.51 0.00 0.00 177.10 177.62 2k4w n GLY 53 N -1.24 5.26 3.49 0.66 0.00 -1.01 -0.74 105.19 111.61 2k4w n GLY 53 Ca -0.01 -2.71 0.01 0.00 0.00 0.00 0.00 46.02 43.31 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 -2.17 -0.75 0.00 1.61 0.15 -1.26 -4.81 113.70 106.47 2k4w s SER 54 Ca 0.37 1.03 0.15 0.00 0.70 0.00 0.00 55.95 58.21 2k4w s SER 54 Cb 0.13 1.83 0.74 0.00 -1.71 0.00 0.00 66.02 67.01 2k4w s SER 54 CO 0.01 -0.15 1.42 0.00 1.20 0.00 0.00 173.24 175.73 2k4w s GLN 56 N -2.63 3.55 0.44 0.00 -1.52 -1.26 -2.11 119.66 116.13 2k4w s GLN 56 Ca 0.13 2.13 -0.21 0.00 -1.95 0.00 0.00 55.36 55.47 2k4w s GLN 56 Cb 0.10 -2.46 -0.10 0.00 -0.22 0.00 0.00 33.01 30.32 2k4w s GLN 56 CO 0.23 -0.83 0.96 -1.25 -0.25 0.00 0.00 175.29 174.16 2k4w s PRO 57 N -2.64 4.15 -0.10 2.91 0.04 -1.26 -2.73 135.00 135.38 2k4w s PRO 57 Ca 0.65 1.15 -0.05 0.00 0.04 0.00 0.00 61.00 62.78 2k4w s PRO 57 Cb -0.38 -2.17 -0.04 0.00 0.04 0.00 0.00 34.50 31.96 2k4w s PRO 57 CO 0.46 -0.10 0.12 0.00 0.04 0.00 0.00 177.00 177.52 2k4w s ALA 58 N -2.17 3.79 -0.11 8.56 0.00 -0.97 -4.89 121.76 125.97 2k4w s ALA 58 Ca 0.63 -0.69 -0.25 0.00 0.00 0.00 0.00 51.96 51.65 2k4w s ALA 58 Cb -0.10 -1.87 -0.03 0.00 0.00 0.00 0.00 23.12 21.13 2k4w s ALA 58 CO 0.15 0.63 0.79 0.42 0.00 0.00 0.00 175.76 177.75 2k4w s ILE 59 N -1.05 4.95 -0.21 0.00 -1.09 -1.26 -0.12 121.20 122.42 2k4w s ILE 59 Ca 0.17 1.59 -0.28 0.00 -2.23 0.00 0.00 60.65 59.90 2k4w s ILE 59 Cb -0.12 -4.11 0.12 0.00 -1.58 0.00 0.00 42.46 36.76 2k4w s ILE 59 CO 0.06 0.13 0.98 -0.75 -1.23 0.00 0.00 174.94 174.12 2k4w s LYS 60 N 1.50 0.60 4.91 2.79 2.20 -0.33 -4.98 119.74 126.43 2k4w s LYS 60 Ca 0.39 0.40 0.00 0.00 -0.36 0.00 0.00 55.97 56.40 2k4w s LYS 60 Cb -0.17 0.29 0.00 0.00 -1.51 0.00 0.00 37.83 36.43 2k4w s LYS 60 CO 0.16 -0.13 0.00 -3.47 -0.36 0.00 0.00 175.35 171.55 2k4w n ASP 61 N 1.52 0.00 -0.79 1.43 -0.08 -1.26 -1.71 116.55 115.66 2k4w n ASP 61 Ca -0.12 0.00 0.04 0.00 -1.51 0.00 0.00 54.79 53.20 2k4w n ASP 61 Cb 0.57 0.00 0.07 0.00 2.34 0.00 0.00 41.12 44.10 2k4w n ASP 61 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2k4w n GLY 62 N 0.00 2.33 3.72 0.27 0.00 -1.26 -5.12 105.19 105.13 2k4w n GLY 62 Ca 0.00 -0.74 -0.11 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.13 2.20 -0.39 1.61 1.03 -0.70 -5.16 119.66 117.14 2k4w s GLN 63 Ca 0.25 -1.57 -0.10 0.00 0.04 0.00 0.00 55.36 53.98 2k4w s GLN 63 Cb 0.25 0.58 0.04 0.00 0.03 0.00 0.00 33.01 33.92 2k4w s GLN 63 CO -0.07 -1.01 0.21 0.00 -2.54 0.00 0.00 175.29 171.89 2k4w s ALA 64 N -2.36 3.26 -0.95 2.60 0.00 -1.26 -1.19 121.76 121.86 2k4w s ALA 64 Ca 0.20 -1.85 -0.22 0.00 0.00 0.00 0.00 51.96 50.08 2k4w s ALA 64 Cb -0.04 -2.58 0.07 0.00 0.00 0.00 0.00 23.12 20.57 2k4w s ALA 64 CO 0.14 -1.47 1.31 0.08 0.00 0.00 0.00 175.76 175.83 2k4w s VAL 65 N 1.50 4.16 -0.18 0.00 1.01 0.83 -4.77 120.40 122.96 2k4w s VAL 65 Ca 0.02 -0.88 -0.32 0.00 0.00 0.00 0.00 61.98 60.80 2k4w s VAL 65 Cb -0.20 -4.94 -0.09 0.00 0.00 0.00 0.00 36.38 31.14 2k4w s VAL 65 CO 0.05 -1.78 2.07 0.00 0.00 0.00 0.00 175.10 175.44 2k4w n ALA 66 N 8.18 1.28 -3.28 5.51 0.00 -1.26 -2.22 120.51 128.71 2k4w n ALA 66 Ca 0.26 0.03 -0.19 0.00 0.00 0.00 0.00 53.44 53.54 2k4w n ALA 66 Cb 0.50 -2.66 0.06 0.00 0.00 0.00 0.00 19.45 17.35 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 9.04 -0.99 -0.26 0.00 0.00 -0.90 -4.92 120.51 122.49 2k4w n ALA 67 Ca 0.29 0.31 -0.03 0.00 0.00 0.00 0.00 53.44 54.00 2k4w n ALA 67 Cb 0.34 -4.26 0.08 0.00 0.00 0.00 0.00 19.45 15.61 2k4w n ALA 67 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2k4w h GLU 68 N -1.96 0.88 -0.90 0.00 4.57 -1.56 -3.25 114.58 112.35 2k4w h GLU 68 Ca -0.44 -0.05 0.04 0.00 -1.18 0.00 0.00 59.36 57.72 2k4w h GLU 68 Cb 1.29 -0.20 -0.05 0.00 -0.16 0.00 0.00 28.75 29.63 2k4w h GLU 68 CO 0.44 0.58 0.59 0.00 -1.18 0.00 0.00 179.01 179.45 2k4w h ALA 69 N 1.30 1.44 0.00 2.92 0.00 -1.77 -2.74 119.26 120.41 2k4w h ALA 69 Ca 0.29 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2k4w h ALA 69 Cb -0.00 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.48 2k4w h ALA 69 CO -0.10 0.46 0.11 0.00 0.00 0.00 0.00 179.25 179.73 2k4w h ALA 70 N 1.48 1.09 0.00 0.00 0.00 -1.38 -3.43 119.26 117.01 2k4w h ALA 70 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2k4w h ALA 70 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2k4w h ALA 70 CO -0.11 -0.09 0.00 0.41 0.00 0.00 0.00 179.25 179.46 2k4w n GLY 71 N -1.24 -0.39 2.15 0.00 0.00 -1.04 -0.33 105.19 104.34 2k4w n GLY 71 Ca -0.02 -1.80 -0.18 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.42 -2.47 1.44 -0.02 0.00 -1.26 -4.61 105.19 97.85 2k4w n GLY 72 Ca 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.51 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 -3.82 0.00 -2.00 1.61 8.25 -1.26 -2.42 115.22 115.58 2k4w n HIS 73 Ca 0.09 -0.40 -0.00 0.00 -0.26 0.00 0.00 57.72 57.15 2k4w n HIS 73 Cb 0.35 -0.29 0.00 0.00 1.12 0.00 0.00 29.99 31.17 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 1.33 -4.48 -3.15 2.41 0.00 -1.22 -2.20 117.00 109.70 2k4w n LEU 74 Ca 0.00 0.58 0.04 0.00 0.00 0.00 0.00 56.01 56.63 2k4w n LEU 74 Cb 0.25 -1.97 -0.00 0.00 0.00 0.00 0.00 43.42 41.70 2k4w n LEU 74 CO 0.00 -1.32 0.15 -0.62 0.00 0.00 0.00 177.39 175.60 2k4w s ASP 75 N -0.70 -1.48 -0.16 1.96 2.15 -1.26 -1.88 116.67 115.30 2k4w s ASP 75 Ca 0.00 0.34 -0.15 0.00 0.43 0.00 0.00 52.55 53.17 2k4w s ASP 75 Cb -0.00 2.01 -0.12 0.00 -0.30 0.00 0.00 42.92 44.50 2k4w s ASP 75 CO 0.32 -0.27 0.12 1.55 -0.17 0.00 0.00 175.17 176.72 2k4w h PRO 76 N 7.95 0.00 0.00 4.34 0.13 -1.99 -3.45 132.00 138.99 2k4w h PRO 76 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 2k4w h PRO 76 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2k4w h PRO 76 CO 0.15 0.52 -0.16 1.04 -0.23 0.00 0.00 178.00 179.33 2k4w n GLN 77 N -4.56 0.80 -0.04 0.86 3.00 -1.26 -4.91 117.38 111.26 2k4w n GLN 77 Ca -0.16 -1.26 -0.13 0.00 -0.01 0.00 0.00 57.00 55.44 2k4w n GLN 77 Cb 0.42 -0.79 -0.08 0.00 0.00 0.00 0.00 30.24 29.80 2k4w n GLN 77 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.06 176.15 2k4w h ASN 78 N 0.00 0.29 0.00 1.08 -0.26 -1.86 -3.48 115.58 111.35 2k4w h ASN 78 Ca 0.00 -0.49 0.00 0.00 -0.56 0.00 0.00 56.30 55.25 2k4w h ASN 78 Cb 1.04 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 38.22 2k4w h ASN 78 CO 0.00 0.72 0.00 1.07 -1.06 0.00 0.00 177.43 178.16 2k4w n THR 79 N -4.63 0.00 0.00 2.81 5.66 -1.26 -4.86 114.28 112.00 2k4w n THR 79 Ca -0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.93 2k4w n THR 79 Cb 0.34 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.12 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 1.71 3.91 1.09 0.00 -1.26 -5.11 105.19 105.54 2k4w n GLY 80 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 2k4w n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k4w s LYS 81 N 0.00 2.28 0.27 1.61 -2.85 -1.26 -4.91 119.74 114.89 2k4w s LYS 81 Ca 0.00 0.02 -0.20 0.00 -1.00 0.00 0.00 55.97 54.79 2k4w s LYS 81 Cb 0.00 -2.07 -0.09 0.00 -2.06 0.00 0.00 37.83 33.61 2k4w s LYS 81 CO 0.00 -1.29 0.77 -1.58 0.10 0.00 0.00 175.35 173.35 2k4w s HIS 82 N -3.36 3.57 0.00 1.78 5.65 -1.26 -2.18 115.29 119.49 2k4w s HIS 82 Ca 0.60 1.42 0.00 0.00 0.25 0.00 0.00 55.06 57.33 2k4w s HIS 82 Cb -0.11 -2.66 0.00 0.00 -1.18 0.00 0.00 32.58 28.63 2k4w s HIS 82 CO 0.47 0.23 0.00 -1.91 -0.65 0.00 0.00 174.74 172.89 2k4w n GLU 83 N 0.36 3.55 0.00 2.88 2.13 -1.26 -4.58 120.64 123.73 2k4w n GLU 83 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2k4w n GLU 83 Cb 0.52 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.23 2k4w n GLU 83 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2k4w n GLY 84 N 5.00 2.82 0.16 8.31 0.00 -1.26 -4.74 105.19 115.47 2k4w n GLY 84 Ca 0.00 0.09 0.02 0.00 0.00 0.00 0.00 46.02 46.14 2k4w n GLY 84 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k4w h PRO 85 N 0.00 0.00 -1.58 1.61 0.13 -1.96 -3.44 132.00 126.75 2k4w h PRO 85 Ca 0.00 0.00 0.27 0.00 -0.87 0.00 0.00 66.00 65.40 2k4w h PRO 85 Cb 0.00 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 30.98 2k4w h PRO 85 CO 0.00 0.50 0.77 -1.83 -0.23 0.00 0.00 178.00 177.22 2k4w s GLU 86 N -3.44 0.44 0.00 0.86 -1.05 -1.26 -5.15 118.70 109.10 2k4w s GLU 86 Ca 0.00 -0.21 0.00 0.00 -0.15 0.00 0.00 54.97 54.61 2k4w s GLU 86 Cb 0.11 0.17 0.00 0.00 -0.44 0.00 0.00 34.13 33.97 2k4w s GLU 86 CO 0.72 -0.20 0.00 0.41 0.95 0.00 0.00 175.26 177.14 2k4w n GLY 87 N -0.29 0.44 2.76 -3.83 0.00 -1.26 -5.03 105.19 97.97 2k4w n GLY 87 Ca -0.04 -1.26 -0.19 0.00 0.00 0.00 0.00 46.02 44.53 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 -0.87 0.05 0.00 1.61 2.00 -1.26 -5.08 119.66 116.12 2k4w s GLN 88 Ca 0.00 0.35 0.00 0.00 -2.00 0.00 0.00 55.36 53.71 2k4w s GLN 88 Cb 0.00 -0.78 0.00 0.00 0.80 0.00 0.00 33.01 33.03 2k4w s GLN 88 CO 0.00 -0.45 0.00 0.41 -0.50 0.00 0.00 175.29 174.75 2k4w n GLY 89 N 5.31 4.92 3.76 2.59 0.00 -1.26 -4.75 105.19 115.75 2k4w n GLY 89 Ca -0.05 -0.60 -0.40 0.00 0.00 0.00 0.00 46.02 44.97 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 1.33 3.66 -0.36 1.61 0.09 -0.93 -4.42 115.29 116.28 2k4w s HIS 90 Ca 0.00 1.74 0.26 0.00 -0.00 0.00 0.00 55.06 57.05 2k4w s HIS 90 Cb 0.00 -3.22 1.05 0.00 -0.00 0.00 0.00 32.58 30.41 2k4w s HIS 90 CO 0.00 -0.36 1.77 1.37 -0.00 0.00 0.00 174.74 177.53 2k4w h LEU 91 N 3.97 0.00 -1.37 0.89 8.10 -1.57 -2.91 115.31 122.42 2k4w h LEU 91 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.53 2k4w h LEU 91 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.43 2k4w h LEU 91 CO 0.67 0.00 0.00 0.61 -4.11 0.00 0.00 178.44 175.61 2k4w n GLY 92 N 0.07 0.74 3.75 0.17 0.00 -0.93 -4.88 105.19 104.10 2k4w n GLY 92 Ca 0.02 -0.41 -0.40 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.02 7.37 0.27 1.61 1.01 -1.10 -2.45 116.67 122.36 2k4w s ASP 93 Ca 0.25 1.63 -0.14 0.00 0.71 0.00 0.00 52.55 55.00 2k4w s ASP 93 Cb 0.13 -2.52 0.01 0.00 1.01 0.00 0.00 42.92 41.55 2k4w s ASP 93 CO 0.17 0.04 0.55 -0.76 0.21 0.00 0.00 175.17 175.39 2k4w s LEU 94 N -0.35 0.22 0.65 1.23 1.02 -1.25 -4.96 118.68 115.25 2k4w s LEU 94 Ca 0.41 -0.91 -0.11 0.00 0.02 0.00 0.00 54.13 53.53 2k4w s LEU 94 Cb -0.22 2.04 -0.02 0.00 0.02 0.00 0.00 46.19 48.00 2k4w s LEU 94 CO 0.26 -1.24 1.04 -2.16 0.02 0.00 0.00 176.35 174.28 2k4w s PRO 95 N -3.81 3.30 -0.12 1.29 0.04 -1.26 -4.60 135.00 129.84 2k4w s PRO 95 Ca 0.20 0.87 -0.25 0.00 0.04 0.00 0.00 61.00 61.87 2k4w s PRO 95 Cb -0.02 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.45 2k4w s PRO 95 CO 0.10 -0.81 0.78 0.14 0.04 0.00 0.00 177.00 177.24 2k4w s VAL 96 N -3.06 4.95 -1.42 -0.36 -7.23 -1.26 -3.85 120.40 108.17 2k4w s VAL 96 Ca 0.57 1.56 -0.14 0.00 -1.81 0.00 0.00 61.98 62.16 2k4w s VAL 96 Cb -0.13 -4.10 0.01 0.00 0.56 0.00 0.00 36.38 32.72 2k4w s VAL 96 CO 0.53 0.13 2.30 -0.11 -0.31 0.00 0.00 175.10 177.63 2k4w n LEU 97 N 4.56 6.87 -4.76 1.32 7.94 0.10 -4.84 117.00 128.20 2k4w n LEU 97 Ca 0.02 -4.06 -0.39 0.00 -1.11 0.00 0.00 56.01 50.47 2k4w n LEU 97 Cb 0.50 -1.60 0.03 0.00 0.53 0.00 0.00 43.42 42.88 2k4w n LEU 97 CO 0.48 1.11 1.03 -0.69 -1.11 0.00 0.00 177.39 178.20 2k4w s VAL 98 N 3.21 2.06 -0.03 1.96 1.01 -1.26 -3.77 120.40 123.58 2k4w s VAL 98 Ca 0.51 0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.56 2k4w s VAL 98 Cb 0.14 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.50 2k4w s VAL 98 CO -0.07 0.00 -0.12 0.54 0.00 0.00 0.00 175.10 175.45 2k4w s VAL 99 N -1.25 1.02 0.65 2.92 0.11 -0.77 -4.19 120.40 118.89 2k4w s VAL 99 Ca 0.67 -0.49 -0.16 0.00 -2.93 0.00 0.00 61.98 59.07 2k4w s VAL 99 Cb -0.42 -0.90 -0.01 0.00 -1.53 0.00 0.00 36.38 33.53 2k4w s VAL 99 CO 0.52 0.31 1.12 0.54 -3.33 0.00 0.00 175.10 174.26 2k4w s ASN 100 N 0.14 5.12 0.41 3.54 6.03 -1.26 -3.36 114.94 125.56 2k4w s ASN 100 Ca -0.03 2.06 0.14 0.00 -1.03 0.00 0.00 52.86 53.99 2k4w s ASN 100 Cb -0.10 -2.56 0.47 0.00 -3.03 0.00 0.00 41.25 36.03 2k4w s ASN 100 CO 0.01 -1.63 0.82 -0.46 -2.03 0.00 0.00 177.10 173.81 2k4w n ASN 101 N -2.28 0.00 0.20 3.54 0.23 -1.26 -1.61 115.26 114.08 2k4w n ASN 101 Ca 0.11 0.47 0.10 0.00 -0.53 0.00 0.00 54.58 54.72 2k4w n ASN 101 Cb 0.52 -0.13 0.19 0.00 -2.08 0.00 0.00 39.78 38.27 2k4w n ASN 101 CO 0.00 0.00 0.00 -0.78 -0.93 0.00 0.00 177.26 175.55 2k4w h ASP 102 N 0.00 0.00 0.00 0.53 3.58 -1.93 -3.46 116.42 115.15 2k4w h ASP 102 Ca 0.25 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.70 2k4w h ASP 102 Cb 1.82 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.87 2k4w h ASP 102 CO -0.00 0.14 0.00 0.61 -2.88 0.00 0.00 179.24 177.11 2k4w n GLY 103 N 0.99 0.82 3.01 -0.78 0.00 -0.63 -4.98 105.19 103.62 2k4w n GLY 103 Ca 0.03 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 2k4w n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k4w s ILE 104 N -2.00 1.62 -0.03 -0.61 1.01 -1.26 -1.13 121.20 118.80 2k4w s ILE 104 Ca 0.00 -0.84 -0.30 0.00 0.00 0.00 0.00 60.65 59.51 2k4w s ILE 104 Cb 0.00 -1.61 -0.04 0.00 0.01 0.00 0.00 42.46 40.82 2k4w s ILE 104 CO 0.00 0.31 1.27 0.00 0.00 0.00 0.00 174.94 176.51 2k4w s ALA 105 N 1.44 3.51 0.00 9.38 0.00 0.57 -4.31 121.76 132.35 2k4w s ALA 105 Ca 0.02 0.73 0.00 0.00 0.00 0.00 0.00 51.96 52.70 2k4w s ALA 105 Cb -0.15 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.44 2k4w s ALA 105 CO -0.09 -0.78 0.00 -2.37 0.00 0.00 0.00 175.76 172.51 2k4w n THR 106 N 4.57 0.00 -2.49 0.00 5.66 -1.26 -2.76 114.28 118.00 2k4w n THR 106 Ca 0.11 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.69 2k4w n THR 106 Cb 0.45 1.11 -0.02 0.00 -1.55 0.00 0.00 70.33 70.32 2k4w n THR 106 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 2k4w s GLU 107 N 0.00 4.08 0.17 1.09 0.41 -1.26 -4.69 118.70 118.50 2k4w s GLU 107 Ca 0.00 1.35 -0.30 0.00 -0.41 0.00 0.00 54.97 55.61 2k4w s GLU 107 Cb 0.00 -3.79 -0.07 0.00 -1.78 0.00 0.00 34.13 28.49 2k4w s GLU 107 CO 0.00 -0.89 1.01 -1.25 -0.49 0.00 0.00 175.26 173.64 2k4w s PRO 108 N 3.75 4.70 0.04 0.39 0.04 -1.26 -4.40 135.00 138.25 2k4w s PRO 108 Ca 0.52 1.57 -0.01 0.00 0.04 0.00 0.00 61.00 63.13 2k4w s PRO 108 Cb -0.17 -3.31 -0.03 0.00 0.04 0.00 0.00 34.50 31.03 2k4w s PRO 108 CO 0.17 0.24 -0.03 0.14 0.04 0.00 0.00 177.00 177.55 2k4w s VAL 109 N -0.42 0.18 -0.01 -0.36 -7.23 -0.55 -5.02 120.40 106.99 2k4w s VAL 109 Ca 0.46 -1.43 0.02 0.00 -1.81 0.00 0.00 61.98 59.21 2k4w s VAL 109 Cb -0.26 -1.00 -0.00 0.00 0.56 0.00 0.00 36.38 35.68 2k4w s VAL 109 CO 0.33 -0.79 -0.06 -0.89 -0.31 0.00 0.00 175.10 173.38 2k4w s THR 110 N -2.89 0.46 -0.35 5.32 2.01 -1.26 -0.26 115.64 118.66 2k4w s THR 110 Ca -0.03 -0.23 0.03 0.00 0.31 0.00 0.00 61.69 61.78 2k4w s THR 110 Cb 0.00 -0.40 0.10 0.00 0.01 0.00 0.00 72.50 72.22 2k4w s THR 110 CO -0.06 0.14 0.07 0.00 -0.69 0.00 0.00 174.62 174.08 2k4w s ALA 111 N -0.02 2.94 -1.87 7.40 0.00 -0.42 -4.80 121.76 124.98 2k4w s ALA 111 Ca 0.01 -2.56 0.26 0.00 0.00 0.00 0.00 51.96 49.67 2k4w s ALA 111 Cb -0.04 -2.02 1.48 0.00 0.00 0.00 0.00 23.12 22.54 2k4w s ALA 111 CO -0.00 -1.71 1.88 -0.35 0.00 0.00 0.00 175.76 175.58 2k4w n PRO 112 N 4.26 0.71 0.20 0.00 -0.04 -0.96 -1.69 135.00 137.48 2k4w n PRO 112 Ca 0.03 0.01 0.07 0.00 -0.04 0.00 0.00 63.50 63.58 2k4w n PRO 112 Cb 0.42 -1.50 0.39 0.00 -0.04 0.00 0.00 33.50 32.77 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 -5.70 0.54 3.08 -1.91 -3.42 114.38 106.97 2k4w h ARG 113 Ca 0.00 0.00 -0.68 0.00 0.07 0.00 0.00 59.98 59.37 2k4w h ARG 113 Cb 0.05 0.00 -0.31 0.00 0.08 0.00 0.00 29.97 29.79 2k4w h ARG 113 CO 0.00 0.31 -0.86 -0.51 -1.07 0.00 0.00 179.97 177.84 2k4w s LEU 114 N -6.98 2.21 0.00 3.04 2.01 -1.23 -5.04 118.68 112.68 2k4w s LEU 114 Ca 0.00 -0.48 0.00 0.00 0.01 0.00 0.00 54.13 53.66 2k4w s LEU 114 Cb 0.11 -1.43 0.00 0.00 0.01 0.00 0.00 46.19 44.88 2k4w s LEU 114 CO 0.67 0.21 0.53 2.29 1.01 0.00 0.00 176.35 181.06 2k4w n LYS 115 N 3.18 0.00 -4.28 1.70 0.00 -1.26 -3.08 118.16 114.41 2k4w n LYS 115 Ca -0.18 -0.52 -0.15 0.00 -0.00 0.00 0.00 58.31 57.46 2k4w n LYS 115 Cb 0.52 -0.42 -0.10 0.00 -0.00 0.00 0.00 35.03 35.03 2k4w n LYS 115 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 2k4w s SER 116 N -0.19 1.62 0.08 -5.58 1.04 -1.26 -4.82 113.70 104.59 2k4w s SER 116 Ca 0.00 -1.16 0.15 0.00 0.48 0.00 0.00 55.95 55.42 2k4w s SER 116 Cb 0.00 0.04 -0.13 0.00 0.10 0.00 0.00 66.02 66.04 2k4w s SER 116 CO 0.00 -0.50 0.93 -0.07 0.98 0.00 0.00 173.24 174.58 2k4w h LEU 117 N 2.61 0.00 -0.78 2.42 3.38 -1.95 -3.36 115.31 117.63 2k4w h LEU 117 Ca -0.37 0.00 0.17 0.00 0.09 0.00 0.00 57.88 57.77 2k4w h LEU 117 Cb 1.21 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.85 2k4w h LEU 117 CO 0.64 0.67 0.24 0.44 0.09 0.00 0.00 178.44 180.52 2k4w h ASP 118 N 0.00 0.12 0.13 -0.43 5.19 -1.97 -0.72 116.42 118.73 2k4w h ASP 118 Ca -0.15 0.14 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2k4w h ASP 118 Cb 1.64 0.17 0.00 0.00 0.18 0.00 0.00 39.33 41.32 2k4w h ASP 118 CO 0.06 -0.01 0.00 -1.84 -3.12 0.00 0.00 179.24 174.33 2k4w n GLU 119 N -5.11 0.41 -0.21 3.56 0.28 -1.26 -2.77 120.64 115.54 2k4w n GLU 119 Ca 0.16 0.05 0.04 0.00 -0.16 0.00 0.00 57.16 57.26 2k4w n GLU 119 Cb 0.49 -1.50 0.06 0.00 1.43 0.00 0.00 31.44 31.92 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 -1.12 0.94 0.39 3.84 0.24 -0.31 -4.94 118.33 117.37 2k4w n VAL 120 Ca 0.11 -1.10 0.04 0.00 -2.04 0.00 0.00 64.34 61.34 2k4w n VAL 120 Cb 0.09 0.22 0.20 0.00 -1.47 0.00 0.00 33.84 32.88 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 -0.68 0.14 -2.90 7.34 2.85 -0.99 -2.59 118.16 121.33 2k4w n LYS 121 Ca 0.07 0.16 -0.12 0.00 -1.05 0.00 0.00 58.31 57.37 2k4w n LYS 121 Cb 0.61 -1.50 0.04 0.00 -0.65 0.00 0.00 35.03 33.53 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 -1.21 -0.90 -4.52 -5.58 2.03 -1.26 -4.15 116.55 100.95 2k4w n ASP 122 Ca 0.04 -3.30 -0.30 0.00 0.52 0.00 0.00 54.79 51.75 2k4w n ASP 122 Cb 0.05 0.77 -0.11 0.00 -0.72 0.00 0.00 41.12 41.11 2k4w n ASP 122 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2k4w s LYS 123 N -0.95 2.06 0.17 -0.67 -0.14 -1.07 -2.39 119.74 116.75 2k4w s LYS 123 Ca 0.29 -1.02 -0.25 0.00 -1.36 0.00 0.00 55.97 53.63 2k4w s LYS 123 Cb 0.33 -2.24 -0.08 0.00 -1.68 0.00 0.00 37.83 34.16 2k4w s LYS 123 CO -0.06 0.52 0.77 0.00 -0.76 0.00 0.00 175.35 175.82 2k4w s ALA 124 N -1.09 3.45 0.10 5.17 0.00 0.08 -1.44 121.76 128.03 2k4w s ALA 124 Ca 0.18 0.33 0.08 0.00 0.00 0.00 0.00 51.96 52.55 2k4w s ALA 124 Cb -0.11 -2.93 -0.04 0.00 0.00 0.00 0.00 23.12 20.04 2k4w s ALA 124 CO 0.10 0.30 -0.14 -0.51 0.00 0.00 0.00 175.76 175.51 2k4w s LEU 125 N -1.24 2.87 -0.02 0.00 1.02 0.31 -0.75 118.68 120.89 2k4w s LEU 125 Ca 0.36 -0.44 0.02 0.00 0.02 0.00 0.00 54.13 54.10 2k4w s LEU 125 Cb -0.22 -1.69 -0.00 0.00 0.02 0.00 0.00 46.19 44.29 2k4w s LEU 125 CO 0.25 0.19 -0.09 -0.04 0.02 0.00 0.00 176.35 176.69 2k4w s MET 126 N -2.06 0.81 -0.19 1.70 -1.94 -0.92 -1.27 119.30 115.44 2k4w s MET 126 Ca 0.19 -0.29 -0.20 0.00 -1.71 0.00 0.00 55.69 53.68 2k4w s MET 126 Cb -0.11 -0.77 -0.03 0.00 2.01 0.00 0.00 34.83 35.93 2k4w s MET 126 CO 0.11 0.14 0.57 0.42 -0.01 0.00 0.00 175.02 176.25 2k4w s ILE 127 N 0.02 5.07 -0.05 2.53 1.01 -0.03 -2.80 121.20 126.95 2k4w s ILE 127 Ca -0.00 1.06 0.04 0.00 0.00 0.00 0.00 60.65 61.76 2k4w s ILE 127 Cb -0.06 -3.89 -0.02 0.00 0.01 0.00 0.00 42.46 38.50 2k4w s ILE 127 CO 0.00 0.16 -0.18 -1.00 0.00 0.00 0.00 174.94 173.92 2k4w s HIS 128 N 1.67 2.59 0.43 3.97 3.76 -0.45 -0.45 115.29 126.81 2k4w s HIS 128 Ca 0.26 -0.37 0.09 0.00 -0.15 0.00 0.00 55.06 54.90 2k4w s HIS 128 Cb -0.16 -1.62 0.93 0.00 1.11 0.00 0.00 32.58 32.84 2k4w s HIS 128 CO 0.10 0.02 2.05 -0.39 -0.85 0.00 0.00 174.74 175.68 2k4w h VAL 129 N 4.62 1.09 -3.76 -0.90 -1.51 -0.25 -2.24 116.25 113.31 2k4w h VAL 129 Ca -0.41 -0.25 -0.41 0.00 -1.23 0.00 0.00 66.70 64.40 2k4w h VAL 129 Cb 1.16 0.71 -0.20 0.00 -2.13 0.00 0.00 31.29 30.83 2k4w h VAL 129 CO 0.50 0.10 -0.77 -0.83 -1.23 0.00 0.00 177.57 175.34 2k4w s GLY 130 N -3.82 0.98 0.30 5.19 0.00 -1.22 -4.66 107.32 104.09 2k4w s GLY 130 Ca -0.07 -1.16 -0.28 0.00 0.00 0.00 0.00 44.72 43.21 2k4w s GLY 130 CO 0.72 -1.21 0.99 0.61 0.00 0.00 0.00 173.10 174.21 2k4w n GLY 131 N 0.86 -0.31 0.16 0.20 0.00 -1.16 -0.84 105.19 104.10 2k4w n GLY 131 Ca -0.18 0.31 0.15 0.00 0.00 0.00 0.00 46.02 46.30 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 1.19 0.49 0.16 1.61 2.03 -1.26 -4.17 116.55 116.60 2k4w n ASP 132 Ca 0.10 -1.16 0.13 0.00 0.52 0.00 0.00 54.79 54.38 2k4w n ASP 132 Cb 0.32 -0.00 0.39 0.00 -0.72 0.00 0.00 41.12 41.12 2k4w n ASP 132 CO 0.00 0.00 0.00 -1.13 -1.92 0.00 0.00 177.20 174.15 2k4w h ASN 133 N 0.77 0.00 0.00 1.67 -0.73 -1.90 -3.40 115.58 112.00 2k4w h ASN 133 Ca 0.00 0.00 -0.10 0.00 1.87 0.00 0.00 56.30 58.07 2k4w h ASN 133 Cb 0.16 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 38.72 2k4w h ASN 133 CO 0.00 0.00 -0.18 1.15 -0.37 0.00 0.00 177.43 178.03 2k4w n MET 134 N -2.55 1.43 0.06 6.67 0.00 -1.26 -4.75 117.12 116.72 2k4w n MET 134 Ca 0.04 -0.50 -0.14 0.00 0.00 0.00 0.00 57.70 57.10 2k4w n MET 134 Cb 0.41 -1.54 -0.14 0.00 0.00 0.00 0.00 33.22 31.95 2k4w n MET 134 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 175.97 176.74 2k4w h SER 135 N 2.29 0.27 -0.42 3.17 0.02 -1.85 -3.38 113.55 113.65 2k4w h SER 135 Ca 0.10 -0.35 -0.06 0.00 -0.84 0.00 0.00 61.79 60.64 2k4w h SER 135 Cb 1.19 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 63.61 2k4w h SER 135 CO 0.13 1.29 0.08 -0.67 -1.14 0.00 0.00 176.83 176.52 2k4w n ASP 136 N -3.40 3.99 -4.78 3.07 2.03 -1.26 -4.59 116.55 111.61 2k4w n ASP 136 Ca -0.11 -2.68 -0.36 0.00 0.52 0.00 0.00 54.79 52.15 2k4w n ASP 136 Cb 1.02 -0.64 -0.04 0.00 -0.72 0.00 0.00 41.12 40.74 2k4w n ASP 136 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2k4w s GLN 137 N -2.15 4.13 0.26 -0.67 -0.21 -1.26 -4.96 119.66 114.80 2k4w s GLN 137 Ca 0.36 1.49 0.23 0.00 0.02 0.00 0.00 55.36 57.46 2k4w s GLN 137 Cb 0.28 -2.49 1.00 0.00 1.00 0.00 0.00 33.01 32.79 2k4w s GLN 137 CO 0.10 -0.17 1.69 -0.35 -2.12 0.00 0.00 175.29 174.44 2k4w n PRO 138 N -0.17 0.18 -2.70 2.91 -0.04 -1.26 -3.32 135.00 130.60 2k4w n PRO 138 Ca 0.05 0.46 -0.42 0.00 -0.04 0.00 0.00 63.50 63.55 2k4w n PRO 138 Cb 0.50 -1.88 -0.03 0.00 -0.04 0.00 0.00 33.50 32.05 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 -3.35 3.23 0.52 0.54 1.02 -1.26 -5.06 119.74 115.38 2k4w s LYS 139 Ca 0.03 -0.36 -0.22 0.00 0.02 0.00 0.00 55.97 55.43 2k4w s LYS 139 Cb 0.09 -4.15 -0.06 0.00 -0.52 0.00 0.00 37.83 33.19 2k4w s LYS 139 CO 0.35 -1.87 1.31 -1.25 -0.92 0.00 0.00 175.35 172.96 2k4w s PRO 140 N 4.82 3.33 0.00 -1.68 0.04 -1.21 -1.86 135.00 138.43 2k4w s PRO 140 Ca 0.31 2.11 0.00 0.00 0.04 0.00 0.00 61.00 63.46 2k4w s PRO 140 Cb -0.11 -2.31 0.00 0.00 0.04 0.00 0.00 34.50 32.11 2k4w s PRO 140 CO 0.16 -1.00 0.00 1.28 0.04 0.00 0.00 177.00 177.48 2k4w n LEU 141 N -0.85 0.30 0.00 -3.56 4.32 -1.26 -4.38 117.00 111.57 2k4w n LEU 141 Ca 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.08 2k4w n LEU 141 Cb 0.46 -0.52 0.00 0.00 -1.62 0.00 0.00 43.42 41.74 2k4w n LEU 141 CO 0.51 -0.15 0.00 0.61 -1.22 0.00 0.00 177.39 177.15 2k4w n GLY 142 N -2.00 0.27 2.90 -0.72 0.00 -0.78 -2.24 105.19 102.62 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 -1.14 1.75 0.29 -0.02 0.00 -1.26 -4.84 105.19 99.97 2k4w n GLY 143 Ca 0.00 -0.20 0.14 0.00 0.00 0.00 0.00 46.02 45.96 2k4w n GLY 143 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2k4w h GLY 144 N 0.00 0.00 0.73 -0.02 0.00 -1.81 -1.59 103.07 100.38 2k4w h GLY 144 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2k4w h GLY 144 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2k4w n GLY 145 N -1.30 -0.52 3.75 4.60 0.00 -0.95 -1.89 105.19 108.88 2k4w n GLY 145 Ca -0.03 -0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 2k4w n GLY 145 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k4w s THR 146 N -2.00 2.76 -0.16 2.61 2.01 -0.60 -4.88 115.64 115.39 2k4w s THR 146 Ca 0.18 0.42 -0.10 0.00 0.31 0.00 0.00 61.69 62.50 2k4w s THR 146 Cb 0.08 -3.05 -0.05 0.00 0.01 0.00 0.00 72.50 69.50 2k4w s THR 146 CO 0.14 -0.16 0.19 -0.13 -0.69 0.00 0.00 174.62 173.97 2k4w s ARG 147 N -3.66 3.99 0.01 4.92 3.00 -1.26 -0.82 118.95 125.13 2k4w s ARG 147 Ca 0.73 -0.08 0.22 0.00 0.00 0.00 0.00 55.73 56.60 2k4w s ARG 147 Cb -0.27 -3.35 -0.21 0.00 0.00 0.00 0.00 34.95 31.12 2k4w s ARG 147 CO 0.37 0.43 0.73 0.98 0.00 0.00 0.00 175.30 177.81 2k4w n TYR 148 N 3.03 0.12 -3.47 -0.53 9.36 0.41 -4.80 117.16 121.28 2k4w n TYR 148 Ca -0.16 0.04 -0.12 0.00 3.32 0.00 0.00 57.90 60.98 2k4w n TYR 148 Cb 0.53 -0.41 -0.02 0.00 -0.63 0.00 0.00 39.34 38.81 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 -3.33 -1.52 0.06 2.98 0.00 -0.84 -4.48 121.76 114.64 2k4w s ALA 149 Ca -0.01 0.39 0.04 0.00 0.00 0.00 0.00 51.96 52.37 2k4w s ALA 149 Cb 0.14 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 24.11 2k4w s ALA 149 CO 0.87 -0.78 -0.11 0.00 0.00 0.00 0.00 175.76 175.74 2k4w s GLY 151 N -1.77 -0.51 -0.09 0.00 0.00 -0.39 -0.74 107.32 103.81 2k4w s GLY 151 Ca -0.04 2.27 -0.02 0.00 0.00 0.00 0.00 44.72 46.93 2k4w s GLY 151 CO 0.01 2.01 0.00 0.14 0.00 0.00 0.00 173.10 175.26 2k4w s VAL 152 N 0.81 4.30 0.54 1.40 1.01 -1.26 -0.53 120.40 126.67 2k4w s VAL 152 Ca -0.03 -0.25 -0.20 0.00 0.00 0.00 0.00 61.98 61.50 2k4w s VAL 152 Cb -0.05 -2.81 -0.06 0.00 0.00 0.00 0.00 36.38 33.46 2k4w s VAL 152 CO -0.07 0.60 1.15 -0.63 0.00 0.00 0.00 175.10 176.14 2k4w s ILE 153 N -0.78 3.07 0.00 2.22 1.01 -0.52 -4.76 121.20 121.44 2k4w s ILE 153 Ca 0.12 0.69 0.00 0.00 0.00 0.00 0.00 60.65 61.46 2k4w s ILE 153 Cb -0.11 -3.29 0.00 0.00 0.01 0.00 0.00 42.46 39.07 2k4w s ILE 153 CO 0.02 -0.13 0.16 0.29 0.00 0.00 0.00 174.94 175.28