#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 3.90 0.00 0.00 0.01 -1.26 -0.09 113.70 116.26 2k4w s SER 2 Ca 0.00 -0.34 0.03 0.00 1.31 0.00 0.00 55.95 56.95 2k4w s SER 2 Cb 0.00 -1.51 -0.01 0.00 0.21 0.00 0.00 66.02 64.71 2k4w s SER 2 CO 0.00 0.18 -0.10 -0.70 0.41 0.00 0.00 173.24 173.04 2k4w s GLU 3 N 0.24 0.75 -0.59 12.44 2.56 0.35 -5.01 118.70 129.45 2k4w s GLU 3 Ca -0.10 -0.42 0.04 0.00 0.00 0.00 0.00 54.97 54.50 2k4w s GLU 3 Cb -0.16 -0.72 0.14 0.00 2.00 0.00 0.00 34.13 35.40 2k4w s GLU 3 CO 0.06 0.19 0.35 -1.59 -0.56 0.00 0.00 175.26 173.70 2k4w s LYS 4 N -0.44 2.13 -0.17 4.30 -2.85 -1.26 -0.20 119.74 121.24 2k4w s LYS 4 Ca 0.02 -2.87 -0.29 0.00 -1.00 0.00 0.00 55.97 51.83 2k4w s LYS 4 Cb -0.05 -3.31 -0.02 0.00 -2.06 0.00 0.00 37.83 32.39 2k4w s LYS 4 CO -0.00 -1.18 1.38 0.08 0.10 0.00 0.00 175.35 175.73 2k4w s VAL 5 N -0.71 4.06 -0.47 1.79 1.01 0.25 -4.75 120.40 121.59 2k4w s VAL 5 Ca 0.20 1.26 -0.27 0.00 0.00 0.00 0.00 61.98 63.17 2k4w s VAL 5 Cb -0.18 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 2k4w s VAL 5 CO -0.06 -0.19 1.96 -0.83 0.00 0.00 0.00 175.10 175.97 2k4w s GLY 6 N 2.62 0.31 -0.10 4.51 0.00 -1.26 -0.77 107.32 112.63 2k4w s GLY 6 Ca 0.60 -0.13 -0.10 0.00 0.00 0.00 0.00 44.72 45.09 2k4w s GLY 6 CO 0.20 3.52 0.23 1.06 0.00 0.00 0.00 173.10 178.11 2k4w s MET 7 N 6.74 3.73 0.05 2.90 -1.94 -1.20 -4.39 119.30 125.19 2k4w s MET 7 Ca 0.79 0.03 0.05 0.00 -1.71 0.00 0.00 55.69 54.85 2k4w s MET 7 Cb -0.18 -3.25 -0.03 0.00 2.01 0.00 0.00 34.83 33.39 2k4w s MET 7 CO 0.27 0.65 -0.15 -0.80 -0.01 0.00 0.00 175.02 174.98 2k4w s ASN 8 N -0.74 1.81 0.45 3.03 -0.87 -1.05 -3.80 114.94 113.77 2k4w s ASN 8 Ca 0.17 -0.53 -0.25 0.00 -1.57 0.00 0.00 52.86 50.67 2k4w s ASN 8 Cb -0.13 -0.10 -0.08 0.00 -0.02 0.00 0.00 41.25 40.92 2k4w s ASN 8 CO 0.06 0.01 1.41 -0.76 -2.57 0.00 0.00 177.10 175.25 2k4w s LEU 9 N -1.39 4.11 0.08 0.60 1.43 0.19 -0.86 118.68 122.85 2k4w s LEU 9 Ca 0.01 2.89 -0.03 0.00 -1.03 0.00 0.00 54.13 55.97 2k4w s LEU 9 Cb -0.09 -3.94 -0.03 0.00 0.03 0.00 0.00 46.19 42.16 2k4w s LEU 9 CO 0.02 -1.16 0.06 0.68 0.23 0.00 0.00 176.35 176.18 2k4w s VAL 10 N -1.21 0.17 0.00 -1.59 -7.23 -1.23 -0.72 120.40 108.59 2k4w s VAL 10 Ca 0.61 -1.66 0.00 0.00 -1.81 0.00 0.00 61.98 59.12 2k4w s VAL 10 Cb -0.43 -1.61 0.00 0.00 0.56 0.00 0.00 36.38 34.90 2k4w s VAL 10 CO 0.55 -0.77 0.00 1.07 -0.31 0.00 0.00 175.10 175.65 2k4w n THR 11 N 0.01 0.00 0.00 5.32 5.66 -1.16 -4.87 114.28 119.24 2k4w n THR 11 Ca -0.12 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.88 2k4w n THR 11 Cb 0.62 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.40 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 0.00 0.00 1.13 1.79 0.00 -0.13 -4.18 120.51 119.12 2k4w n ALA 12 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 2k4w n ALA 12 Cb 0.00 0.00 0.39 0.00 0.00 0.00 0.00 19.45 19.84 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 0.32 0.00 0.00 1.13 -1.26 -4.86 117.38 112.71 2k4w n GLN 13 Ca 0.00 -0.16 0.00 0.00 -1.94 0.00 0.00 57.00 54.90 2k4w n GLN 13 Cb 0.00 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 28.85 2k4w n GLN 13 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2k4w n GLY 14 N 1.42 0.17 3.72 1.08 0.00 -1.26 -4.99 105.19 105.33 2k4w n GLY 14 Ca 0.09 -1.96 -0.39 0.00 0.00 0.00 0.00 46.02 43.76 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 5.02 0.00 1.61 1.01 -1.26 -2.99 120.40 123.80 2k4w s VAL 15 Ca 0.00 1.40 0.00 0.00 0.00 0.00 0.00 61.98 63.38 2k4w s VAL 15 Cb 0.00 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.36 2k4w s VAL 15 CO 0.00 0.28 0.00 0.61 0.00 0.00 0.00 175.10 175.99 2k4w n GLY 16 N 3.00 1.24 3.86 4.51 0.00 0.10 -5.02 105.19 112.88 2k4w n GLY 16 Ca -0.02 -0.78 -0.31 0.00 0.00 0.00 0.00 46.02 44.90 2k4w n GLY 16 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2k4w s GLN 17 N 4.45 3.90 -0.03 1.61 0.74 -1.26 -4.75 119.66 124.31 2k4w s GLN 17 Ca 0.00 0.70 -0.14 0.00 0.05 0.00 0.00 55.36 55.97 2k4w s GLN 17 Cb 0.00 -2.31 -0.05 0.00 1.10 0.00 0.00 33.01 31.75 2k4w s GLN 17 CO 0.00 -0.07 0.36 0.45 -0.55 0.00 0.00 175.29 175.48 2k4w s SER 18 N -2.91 6.72 -0.01 6.67 0.15 -1.26 -0.64 113.70 122.42 2k4w s SER 18 Ca 0.55 0.85 0.05 0.00 0.70 0.00 0.00 55.95 58.10 2k4w s SER 18 Cb -0.10 -2.22 0.13 0.00 -1.71 0.00 0.00 66.02 62.12 2k4w s SER 18 CO 0.28 0.31 1.10 2.30 1.20 0.00 0.00 173.24 178.43 2k4w n ILE 19 N 2.02 1.07 0.00 6.45 -5.35 -1.25 -4.99 119.36 117.31 2k4w n ILE 19 Ca -0.15 -1.07 0.00 0.00 -0.27 0.00 0.00 62.75 61.26 2k4w n ILE 19 Cb 0.53 0.45 0.00 0.00 -1.74 0.00 0.00 39.64 38.88 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 -0.20 4.02 3.96 3.28 0.00 -1.26 -2.14 105.19 112.85 2k4w n GLY 20 Ca 0.05 -0.64 -0.25 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.67 2.24 -0.07 2.61 -4.23 -1.26 -3.25 115.64 110.01 2k4w s THR 21 Ca 0.00 -0.44 0.02 0.00 -1.18 0.00 0.00 61.69 60.09 2k4w s THR 21 Cb 0.00 -2.80 0.01 0.00 1.34 0.00 0.00 72.50 71.05 2k4w s THR 21 CO 0.00 0.00 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.25 2k4w s VAL 22 N -3.21 1.27 -0.04 2.29 1.01 0.05 -3.24 120.40 118.53 2k4w s VAL 22 Ca 0.64 -0.56 -0.27 0.00 0.00 0.00 0.00 61.98 61.79 2k4w s VAL 22 Cb -0.07 -1.15 -0.03 0.00 0.00 0.00 0.00 36.38 35.13 2k4w s VAL 22 CO 0.45 0.39 0.86 0.54 0.00 0.00 0.00 175.10 177.34 2k4w s VAL 23 N 0.63 4.93 -0.33 2.92 0.11 -0.23 -0.58 120.40 127.86 2k4w s VAL 23 Ca -0.15 1.79 -0.05 0.00 -2.93 0.00 0.00 61.98 60.65 2k4w s VAL 23 Cb -0.16 -4.20 0.04 0.00 -1.53 0.00 0.00 36.38 30.53 2k4w s VAL 23 CO 0.04 0.18 0.07 -0.63 -3.33 0.00 0.00 175.10 171.43 2k4w s ILE 24 N 1.07 3.49 -0.31 7.04 1.01 0.72 -0.78 121.20 133.45 2k4w s ILE 24 Ca 0.45 -1.23 -0.00 0.00 0.00 0.00 0.00 60.65 59.87 2k4w s ILE 24 Cb -0.19 -2.99 0.06 0.00 0.01 0.00 0.00 42.46 39.35 2k4w s ILE 24 CO 0.22 -0.16 0.00 -0.62 0.00 0.00 0.00 174.94 174.39 2k4w s ASP 25 N 1.36 4.83 0.45 3.58 -1.08 -0.36 -0.50 116.67 124.94 2k4w s ASP 25 Ca -0.03 -1.44 -0.25 0.00 -0.52 0.00 0.00 52.55 50.31 2k4w s ASP 25 Cb -0.20 -1.68 -0.08 0.00 -1.46 0.00 0.00 42.92 39.50 2k4w s ASP 25 CO 0.01 -0.28 1.42 -0.70 0.52 0.00 0.00 175.17 176.14 2k4w s GLU 26 N 1.19 3.70 0.35 4.34 -6.30 0.87 -0.94 118.70 121.91 2k4w s GLU 26 Ca -0.04 2.40 -0.11 0.00 -2.50 0.00 0.00 54.97 54.72 2k4w s GLU 26 Cb -0.20 -2.66 0.03 0.00 0.00 0.00 0.00 34.13 31.30 2k4w s GLU 26 CO -0.03 -0.79 0.63 -0.08 0.02 0.00 0.00 175.26 175.01 2k4w s THR 27 N -1.21 0.00 0.57 -1.70 -1.32 -0.96 -0.29 115.64 110.73 2k4w s THR 27 Ca 0.61 -1.26 0.29 0.00 -1.21 0.00 0.00 61.69 60.12 2k4w s THR 27 Cb -0.43 -2.65 0.35 0.00 -1.51 0.00 0.00 72.50 68.26 2k4w s THR 27 CO 0.56 0.00 2.24 -0.08 -2.21 0.00 0.00 174.62 175.12 2k4w h GLU 28 N 2.07 0.00 -0.58 7.08 4.81 -1.95 0.24 114.58 126.24 2k4w h GLU 28 Ca -0.29 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 2k4w h GLU 28 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 2k4w h GLU 28 CO 0.38 0.01 0.00 0.41 -0.73 0.00 0.00 179.01 179.08 2k4w n GLY 29 N -1.25 1.51 7.00 1.92 0.00 -1.26 -5.02 105.19 108.08 2k4w n GLY 29 Ca -0.03 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 0.72 -1.58 3.57 -0.02 0.00 0.84 -3.66 105.19 105.06 2k4w n GLY 30 Ca 0.13 -1.32 -0.40 0.00 0.00 0.00 0.00 46.02 44.44 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 3.41 -0.61 0.99 1.43 -0.90 -2.27 118.68 120.73 2k4w s LEU 31 Ca 0.00 1.06 -0.26 0.00 -1.03 0.00 0.00 54.13 53.89 2k4w s LEU 31 Cb 0.00 -2.97 0.04 0.00 0.03 0.00 0.00 46.19 43.28 2k4w s LEU 31 CO 0.00 -2.24 1.13 -0.75 0.23 0.00 0.00 176.35 174.72 2k4w s LYS 32 N 6.82 3.36 -0.44 1.70 2.20 -0.11 -0.92 119.74 132.35 2k4w s LYS 32 Ca 0.84 -0.09 -0.21 0.00 -0.36 0.00 0.00 55.97 56.15 2k4w s LYS 32 Cb -0.20 -4.08 0.02 0.00 -1.51 0.00 0.00 37.83 32.07 2k4w s LYS 32 CO 0.28 -1.75 0.64 0.12 -0.36 0.00 0.00 175.35 174.29 2k4w s PHE 33 N 4.79 3.06 -0.21 4.03 5.36 0.49 -1.23 117.98 134.28 2k4w s PHE 33 Ca 0.36 -0.06 0.01 0.00 -0.96 0.00 0.00 56.93 56.29 2k4w s PHE 33 Cb -0.10 -3.35 0.04 0.00 -0.34 0.00 0.00 43.02 39.27 2k4w s PHE 33 CO 0.20 -0.87 -0.13 0.99 -1.46 0.00 0.00 175.22 173.95 2k4w s THR 34 N 2.82 1.86 0.74 0.12 2.01 0.04 -1.02 115.64 122.21 2k4w s THR 34 Ca 0.23 -1.12 -0.11 0.00 0.31 0.00 0.00 61.69 60.99 2k4w s THR 34 Cb -0.14 -1.87 0.03 0.00 0.01 0.00 0.00 72.50 70.53 2k4w s THR 34 CO 0.19 0.22 1.10 -2.16 -0.69 0.00 0.00 174.62 173.28 2k4w s PRO 35 N 1.31 2.57 -0.41 4.92 0.04 -1.26 -1.07 135.00 141.10 2k4w s PRO 35 Ca -0.01 0.55 0.09 0.00 0.04 0.00 0.00 61.00 61.66 2k4w s PRO 35 Cb -0.16 -1.98 0.38 0.00 0.04 0.00 0.00 34.50 32.78 2k4w s PRO 35 CO -0.09 -1.26 1.33 -2.39 0.04 0.00 0.00 177.00 174.63 2k4w n HIS 36 N -3.17 -2.53 -4.24 0.56 1.44 -1.04 -4.17 115.22 102.06 2k4w n HIS 36 Ca 0.07 -1.95 -0.29 0.00 -2.01 0.00 0.00 57.72 53.54 2k4w n HIS 36 Cb 0.57 1.61 -0.10 0.00 0.12 0.00 0.00 29.99 32.19 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 -3.07 3.00 -0.23 2.39 1.02 -0.93 -4.41 118.68 116.44 2k4w s LEU 37 Ca 0.22 -0.44 0.19 0.00 0.02 0.00 0.00 54.13 54.12 2k4w s LEU 37 Cb 0.38 -1.78 0.48 0.00 0.02 0.00 0.00 46.19 45.30 2k4w s LEU 37 CO -0.08 0.16 1.14 2.29 0.02 0.00 0.00 176.35 179.88 2k4w n LYS 38 N 0.57 1.98 -0.10 1.70 2.85 -0.91 -0.89 118.16 123.36 2k4w n LYS 38 Ca -0.13 -3.49 0.00 0.00 -1.05 0.00 0.00 58.31 53.64 2k4w n LYS 38 Cb 0.53 -1.59 0.00 0.00 -0.65 0.00 0.00 35.03 33.32 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 -0.52 1.20 -2.84 0.58 0.00 -1.00 -4.82 120.51 113.10 2k4w n ALA 39 Ca 0.16 -0.25 -0.21 0.00 0.00 0.00 0.00 53.44 53.14 2k4w n ALA 39 Cb 0.88 -0.04 -0.03 0.00 0.00 0.00 0.00 19.45 20.25 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 4.03 0.17 0.00 1.02 -1.08 -5.05 118.68 117.77 2k4w s LEU 40 Ca 0.00 -0.13 -0.31 0.00 0.02 0.00 0.00 54.13 53.71 2k4w s LEU 40 Cb 0.00 -2.59 -0.10 0.00 0.02 0.00 0.00 46.19 43.52 2k4w s LEU 40 CO 0.00 -0.10 1.53 -2.16 0.02 0.00 0.00 176.35 175.64 2k4w s PRO 41 N -3.94 4.23 -0.23 1.29 0.04 -1.26 -4.42 135.00 130.72 2k4w s PRO 41 Ca 0.35 2.32 -0.04 0.00 0.04 0.00 0.00 61.00 63.67 2k4w s PRO 41 Cb -0.08 -3.16 -0.05 0.00 0.04 0.00 0.00 34.50 31.25 2k4w s PRO 41 CO 0.27 -0.56 2.95 -0.35 0.04 0.00 0.00 177.00 179.36 2k4w n PRO 42 N 3.68 2.07 0.00 0.56 -0.04 -1.26 -4.73 135.00 135.28 2k4w n PRO 42 Ca 0.12 -1.56 0.00 0.00 -0.04 0.00 0.00 63.50 62.02 2k4w n PRO 42 Cb 0.39 -1.94 0.00 0.00 -0.04 0.00 0.00 33.50 31.91 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 1.48 4.21 3.17 0.55 0.00 -1.24 -4.17 105.19 109.19 2k4w n GLY 43 Ca 0.41 -1.65 -0.28 0.00 0.00 0.00 0.00 46.02 44.50 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 4.98 2.09 -0.03 1.61 2.02 -1.26 -0.89 118.70 127.22 2k4w s GLU 44 Ca 0.00 -0.70 -0.01 0.00 0.02 0.00 0.00 54.97 54.28 2k4w s GLU 44 Cb 0.00 -1.77 0.03 0.00 0.10 0.00 0.00 34.13 32.49 2k4w s GLU 44 CO 0.00 0.26 0.04 -1.01 0.02 0.00 0.00 175.26 174.57 2k4w s HIS 45 N 0.05 0.06 0.77 1.61 3.76 0.44 -3.67 115.29 118.31 2k4w s HIS 45 Ca -0.06 0.18 -0.15 0.00 -0.15 0.00 0.00 55.06 54.89 2k4w s HIS 45 Cb -0.13 -0.36 0.01 0.00 1.11 0.00 0.00 32.58 33.21 2k4w s HIS 45 CO 0.03 -0.14 0.79 0.41 -0.85 0.00 0.00 174.74 174.98 2k4w n GLY 46 N 4.72 -0.93 2.85 -2.22 0.00 -0.14 0.50 105.19 109.96 2k4w n GLY 46 Ca -0.16 -0.44 -0.20 0.00 0.00 0.00 0.00 46.02 45.22 2k4w n GLY 46 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2k4w s PHE 47 N -1.99 0.63 0.39 1.61 5.36 -1.20 -0.64 117.98 122.14 2k4w s PHE 47 Ca 0.68 -0.15 0.06 0.00 -0.96 0.00 0.00 56.93 56.57 2k4w s PHE 47 Cb -0.32 -0.64 -0.08 0.00 -0.34 0.00 0.00 43.02 41.65 2k4w s PHE 47 CO 0.55 -0.21 0.02 -1.01 -1.46 0.00 0.00 175.22 173.11 2k4w s HIS 48 N 1.17 2.38 -0.11 10.12 3.76 -0.78 -3.93 115.29 127.90 2k4w s HIS 48 Ca -0.07 -0.73 -0.05 0.00 -0.15 0.00 0.00 55.06 54.06 2k4w s HIS 48 Cb -0.14 -1.65 -0.04 0.00 1.11 0.00 0.00 32.58 31.87 2k4w s HIS 48 CO -0.01 0.35 0.08 0.42 -0.85 0.00 0.00 174.74 174.72 2k4w s ILE 49 N -2.84 4.95 0.33 0.60 1.01 -0.92 -1.49 121.20 122.83 2k4w s ILE 49 Ca 0.35 0.00 0.09 0.00 0.00 0.00 0.00 60.65 61.09 2k4w s ILE 49 Cb 0.09 -3.14 -0.06 0.00 0.01 0.00 0.00 42.46 39.36 2k4w s ILE 49 CO 0.17 0.59 -0.09 -1.00 0.00 0.00 0.00 174.94 174.62 2k4w s HIS 50 N -0.80 2.31 0.02 3.97 3.76 -0.34 -4.55 115.29 119.67 2k4w s HIS 50 Ca 0.13 -0.54 -0.22 0.00 -0.15 0.00 0.00 55.06 54.28 2k4w s HIS 50 Cb -0.12 -1.33 -0.12 0.00 1.11 0.00 0.00 32.58 32.12 2k4w s HIS 50 CO 0.03 0.52 1.14 0.00 -0.85 0.00 0.00 174.74 175.58 2k4w h ALA 51 N 2.07 -1.02 -2.76 -1.40 0.00 -0.03 -3.25 119.26 112.86 2k4w h ALA 51 Ca -0.42 -0.17 -0.61 0.00 0.00 0.00 0.00 54.91 53.71 2k4w h ALA 51 Cb 1.25 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 19.30 2k4w h ALA 51 CO 0.70 -0.96 -0.39 -0.80 0.00 0.00 0.00 179.25 177.79 2k4w s ASN 52 N -3.71 6.46 -1.17 0.00 0.01 -0.02 -4.32 114.94 112.20 2k4w s ASN 52 Ca -0.12 0.50 -0.11 0.00 -0.71 0.00 0.00 52.86 52.43 2k4w s ASN 52 Cb 0.01 -2.06 -0.07 0.00 0.41 0.00 0.00 41.25 39.54 2k4w s ASN 52 CO 0.35 0.19 2.34 0.61 -1.51 0.00 0.00 177.10 179.08 2k4w n GLY 53 N 0.71 3.52 2.55 0.66 0.00 -0.92 -3.12 105.19 108.59 2k4w n GLY 53 Ca -0.08 -1.19 -0.16 0.00 0.00 0.00 0.00 46.02 44.59 2k4w n GLY 53 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k4w n SER 54 N 4.78 -1.81 0.00 1.61 7.64 -1.26 -4.93 113.62 119.66 2k4w n SER 54 Ca 0.56 -2.72 0.00 0.00 1.01 0.00 0.00 58.87 57.72 2k4w n SER 54 Cb 0.23 0.57 0.01 0.00 -1.01 0.00 0.00 64.21 64.02 2k4w n SER 54 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k4w s GLN 56 N -2.00 3.42 0.59 0.00 1.11 -1.26 -4.46 119.66 117.06 2k4w s GLN 56 Ca 0.01 1.41 -0.18 0.00 0.01 0.00 0.00 55.36 56.61 2k4w s GLN 56 Cb 0.00 -2.03 -0.04 0.00 -1.01 0.00 0.00 33.01 29.93 2k4w s GLN 56 CO 0.00 -0.76 1.12 -1.25 0.01 0.00 0.00 175.29 174.41 2k4w s PRO 57 N -3.55 3.14 0.17 2.91 0.04 -1.25 -0.44 135.00 136.02 2k4w s PRO 57 Ca 0.68 1.51 -0.10 0.00 0.04 0.00 0.00 61.00 63.12 2k4w s PRO 57 Cb -0.19 -1.99 -0.07 0.00 0.04 0.00 0.00 34.50 32.29 2k4w s PRO 57 CO 0.29 -1.00 0.51 0.00 0.04 0.00 0.00 177.00 176.84 2k4w s ALA 58 N -2.02 3.62 -0.57 8.56 0.00 -1.20 -4.61 121.76 125.53 2k4w s ALA 58 Ca 0.70 -0.28 -0.24 0.00 0.00 0.00 0.00 51.96 52.14 2k4w s ALA 58 Cb -0.22 -2.40 0.05 0.00 0.00 0.00 0.00 23.12 20.54 2k4w s ALA 58 CO 0.33 0.52 0.95 0.42 0.00 0.00 0.00 175.76 177.98 2k4w s ILE 59 N -1.63 4.36 -0.27 0.00 -1.09 -1.26 -0.29 121.20 121.01 2k4w s ILE 59 Ca 0.42 0.17 -0.24 0.00 -2.23 0.00 0.00 60.65 58.77 2k4w s ILE 59 Cb -0.13 -4.57 0.09 0.00 -1.58 0.00 0.00 42.46 36.26 2k4w s ILE 59 CO 0.20 -1.19 0.81 -0.75 -1.23 0.00 0.00 174.94 172.78 2k4w s LYS 60 N 4.02 0.73 -1.35 2.79 2.20 -0.58 -4.93 119.74 122.62 2k4w s LYS 60 Ca 0.29 0.90 -0.09 0.00 -0.36 0.00 0.00 55.97 56.71 2k4w s LYS 60 Cb -0.13 0.34 0.06 0.00 -1.51 0.00 0.00 37.83 36.59 2k4w s LYS 60 CO 0.18 -0.09 0.54 -3.47 -0.36 0.00 0.00 175.35 172.14 2k4w n ASP 61 N 2.72 -4.15 -0.02 1.43 2.03 -1.26 -1.59 116.55 115.71 2k4w n ASP 61 Ca -0.14 -0.40 -0.00 0.00 0.52 0.00 0.00 54.79 54.76 2k4w n ASP 61 Cb 0.56 -3.41 -0.00 0.00 -0.72 0.00 0.00 41.12 37.55 2k4w n ASP 61 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k4w n GLY 62 N -1.26 0.45 3.52 0.27 0.00 -1.26 -5.01 105.19 101.91 2k4w n GLY 62 Ca -0.03 -0.10 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.44 1.47 -0.83 1.61 -2.07 -0.62 -5.11 119.66 113.67 2k4w s GLN 63 Ca 0.00 -1.27 -0.23 0.00 -1.82 0.00 0.00 55.36 52.05 2k4w s GLN 63 Cb 0.00 0.44 0.07 0.00 -1.09 0.00 0.00 33.01 32.43 2k4w s GLN 63 CO 0.00 -0.59 1.19 0.00 -1.32 0.00 0.00 175.29 174.57 2k4w s ALA 64 N -4.02 3.00 -1.01 2.60 0.00 -1.26 -1.53 121.76 119.54 2k4w s ALA 64 Ca 0.23 -2.09 -0.23 0.00 0.00 0.00 0.00 51.96 49.87 2k4w s ALA 64 Cb 0.01 -4.16 0.01 0.00 0.00 0.00 0.00 23.12 18.97 2k4w s ALA 64 CO 0.08 -3.15 1.69 0.08 0.00 0.00 0.00 175.76 174.47 2k4w s VAL 65 N 4.29 3.74 0.00 0.00 1.01 0.61 -4.48 120.40 125.57 2k4w s VAL 65 Ca 0.33 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.58 2k4w s VAL 65 Cb -0.08 -4.65 0.00 0.00 0.00 0.00 0.00 36.38 31.65 2k4w s VAL 65 CO 0.01 -1.52 0.00 0.00 0.00 0.00 0.00 175.10 173.59 2k4w n ALA 66 N 11.09 0.00 -3.13 5.51 0.00 -1.26 -3.22 120.51 129.50 2k4w n ALA 66 Ca 0.38 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.87 2k4w n ALA 66 Cb 0.49 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 -1.00 -3.49 0.00 0.00 0.00 -1.26 -0.95 121.76 115.06 2k4w s ALA 67 Ca 0.00 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.18 2k4w s ALA 67 Cb 0.00 -2.75 0.00 0.00 0.00 0.00 0.00 23.12 20.37 2k4w s ALA 67 CO 0.00 -2.04 0.00 -1.91 0.00 0.00 0.00 175.76 171.81 2k4w n GLU 68 N 5.10 2.39 0.00 0.00 2.13 0.41 -4.83 120.64 125.83 2k4w n GLU 68 Ca 0.08 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.91 2k4w n GLU 68 Cb 0.57 -0.20 0.03 0.00 0.27 0.00 0.00 31.44 32.11 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 0.00 1.11 0.00 4.31 0.00 -0.07 -1.76 120.51 124.10 2k4w n ALA 69 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2k4w n ALA 69 Cb 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.43 2k4w n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k4w n ALA 70 N -1.46 1.50 0.00 0.00 0.00 0.12 -4.65 120.51 116.01 2k4w n ALA 70 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2k4w n ALA 70 Cb 0.02 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.47 2k4w n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k4w n GLY 71 N -0.87 1.03 1.85 0.00 0.00 -0.72 -0.84 105.19 105.64 2k4w n GLY 71 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2k4w n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4w n GLY 72 N -1.93 1.18 0.00 -0.02 0.00 -1.05 -4.59 105.19 98.77 2k4w n GLY 72 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 1.46 0.00 -2.75 1.61 8.25 -1.26 -4.89 115.22 117.63 2k4w n HIS 73 Ca 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.42 2k4w n HIS 73 Cb 0.00 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.12 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 0.00 -3.32 -3.32 2.41 7.94 -1.26 -1.33 117.00 118.12 2k4w n LEU 74 Ca 0.00 -2.83 -0.26 0.00 -1.11 0.00 0.00 56.01 51.81 2k4w n LEU 74 Cb 0.00 0.75 -0.07 0.00 0.53 0.00 0.00 43.42 44.63 2k4w n LEU 74 CO 0.00 1.90 -0.02 0.47 -1.11 0.00 0.00 177.39 178.63 2k4w n ASP 75 N 2.85 2.82 0.01 1.96 8.00 -1.26 -4.31 116.55 126.62 2k4w n ASP 75 Ca 0.17 -3.26 -0.18 0.00 0.71 0.00 0.00 54.79 52.24 2k4w n ASP 75 Cb 0.57 -0.65 -0.12 0.00 -0.02 0.00 0.00 41.12 40.90 2k4w n ASP 75 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2k4w h PRO 76 N 4.00 0.34 0.00 -0.24 0.13 -1.99 -3.47 132.00 130.78 2k4w h PRO 76 Ca 0.16 -0.41 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2k4w h PRO 76 Cb 0.71 0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.97 2k4w h PRO 76 CO 0.73 1.11 0.00 1.04 -0.23 0.00 0.00 178.00 180.65 2k4w n GLN 77 N -4.24 0.00 0.00 0.86 1.13 -1.26 -5.04 117.38 108.82 2k4w n GLN 77 Ca -0.11 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.95 2k4w n GLN 77 Cb 0.68 0.00 0.00 0.00 0.11 0.00 0.00 30.24 31.03 2k4w n GLN 77 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2k4w n ASN 78 N 0.00 0.00 0.00 1.08 3.02 -1.26 -2.93 115.26 115.17 2k4w n ASN 78 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2k4w n ASN 78 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2k4w n ASN 78 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 2k4w n THR 79 N 0.00 0.00 -3.55 3.41 5.66 -1.26 -5.01 114.28 113.54 2k4w n THR 79 Ca 0.00 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.81 2k4w n THR 79 Cb 0.00 0.00 0.07 0.00 -1.55 0.00 0.00 70.33 68.85 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 -0.35 0.41 1.09 0.00 -1.15 -4.93 105.19 100.27 2k4w n GLY 80 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2k4w n GLY 80 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2k4w n LYS 81 N -4.24 0.00 0.00 1.61 2.85 -0.83 -5.03 118.16 112.51 2k4w n LYS 81 Ca -0.27 -0.73 0.00 0.00 -1.05 0.00 0.00 58.31 56.26 2k4w n LYS 81 Cb 0.66 -0.40 0.00 0.00 -0.65 0.00 0.00 35.03 34.64 2k4w n LYS 81 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 177.40 178.93 2k4w n HIS 82 N 0.00 0.00 -2.70 5.58 -0.00 -0.67 -4.92 115.22 112.50 2k4w n HIS 82 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.65 2k4w n HIS 82 Cb 0.63 0.00 0.10 0.00 -0.00 0.00 0.00 29.99 30.72 2k4w n HIS 82 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 2k4w n GLU 83 N -0.32 1.04 -0.12 1.57 2.13 -1.26 -2.15 120.64 121.53 2k4w n GLU 83 Ca 0.00 -1.70 -0.23 0.00 0.66 0.00 0.00 57.16 55.89 2k4w n GLU 83 Cb 0.00 -0.21 -0.09 0.00 0.27 0.00 0.00 31.44 31.42 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 -0.40 -0.37 0.03 8.31 0.00 -1.26 -4.78 105.19 106.72 2k4w n GLY 84 Ca -0.04 -0.12 0.04 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.87 0.77 -3.71 1.61 -0.04 -1.21 -4.58 135.00 123.95 2k4w n PRO 85 Ca -0.45 -0.12 0.03 0.00 -0.04 0.00 0.00 63.50 62.92 2k4w n PRO 85 Cb 0.85 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.88 2k4w n PRO 85 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2k4w s GLU 86 N -2.99 0.20 1.45 0.54 -1.05 -1.26 -5.17 118.70 110.41 2k4w s GLU 86 Ca -0.07 -0.12 0.00 0.00 -0.15 0.00 0.00 54.97 54.63 2k4w s GLU 86 Cb 0.10 0.06 0.00 0.00 -0.44 0.00 0.00 34.13 33.85 2k4w s GLU 86 CO 0.73 -0.09 0.00 0.41 0.95 0.00 0.00 175.26 177.26 2k4w n GLY 87 N -0.63 -1.50 1.08 -3.83 0.00 -1.26 -4.48 105.19 94.56 2k4w n GLY 87 Ca -0.05 -1.51 -0.03 0.00 0.00 0.00 0.00 46.02 44.43 2k4w n GLY 87 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2k4w n GLN 88 N 0.00 0.00 -0.56 1.61 -0.06 -1.26 -4.95 117.38 112.17 2k4w n GLN 88 Ca 0.00 -1.20 0.07 0.00 -2.00 0.00 0.00 57.00 53.87 2k4w n GLN 88 Cb 0.00 0.27 0.29 0.00 -4.06 0.00 0.00 30.24 26.74 2k4w n GLN 88 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2k4w n GLY 89 N 0.14 2.31 0.00 1.69 0.00 -0.91 -4.64 105.19 103.78 2k4w n GLY 89 Ca -0.15 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.20 2k4w n GLY 89 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2k4w n HIS 90 N 0.71 0.00 0.95 1.61 -0.00 -1.26 -1.68 115.22 115.55 2k4w n HIS 90 Ca 0.20 0.00 0.05 0.00 -0.00 0.00 0.00 57.72 57.98 2k4w n HIS 90 Cb 0.81 0.00 0.32 0.00 -0.00 0.00 0.00 29.99 31.13 2k4w n HIS 90 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 176.34 177.81 2k4w n LEU 91 N 0.00 0.00 -0.99 0.27 -0.00 -1.26 -1.71 117.00 113.31 2k4w n LEU 91 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 56.01 56.12 2k4w n LEU 91 Cb 0.00 0.00 0.17 0.00 -0.00 0.00 0.00 43.42 43.59 2k4w n LEU 91 CO 0.00 0.00 0.65 0.61 -0.00 0.00 0.00 177.39 178.65 2k4w n GLY 92 N -0.04 1.44 3.75 1.47 0.00 -1.26 -4.94 105.19 105.60 2k4w n GLY 92 Ca 0.08 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.46 7.07 0.25 1.61 1.01 -0.69 -2.17 116.67 122.29 2k4w s ASP 93 Ca 0.32 2.33 -0.17 0.00 0.71 0.00 0.00 52.55 55.74 2k4w s ASP 93 Cb 0.20 -2.62 0.01 0.00 1.01 0.00 0.00 42.92 41.52 2k4w s ASP 93 CO 0.28 -0.35 0.59 -0.76 0.21 0.00 0.00 175.17 175.13 2k4w s LEU 94 N -0.79 0.04 0.70 1.23 1.02 -1.25 -5.01 118.68 114.61 2k4w s LEU 94 Ca 0.50 -0.72 -0.13 0.00 0.02 0.00 0.00 54.13 53.81 2k4w s LEU 94 Cb -0.34 2.23 0.02 0.00 0.02 0.00 0.00 46.19 48.12 2k4w s LEU 94 CO 0.40 -1.21 1.08 -2.16 0.02 0.00 0.00 176.35 174.49 2k4w s PRO 95 N -3.95 2.71 -0.12 1.29 0.04 -1.26 -4.60 135.00 129.10 2k4w s PRO 95 Ca 0.15 1.19 -0.28 0.00 0.04 0.00 0.00 61.00 62.11 2k4w s PRO 95 Cb -0.03 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.55 2k4w s PRO 95 CO 0.06 -1.30 0.93 0.08 0.04 0.00 0.00 177.00 176.82 2k4w s VAL 96 N -2.71 4.83 -0.15 -0.36 1.01 -1.26 -3.27 120.40 118.49 2k4w s VAL 96 Ca 0.62 1.88 -0.29 0.00 0.00 0.00 0.00 61.98 64.19 2k4w s VAL 96 Cb -0.17 -4.24 -0.05 0.00 0.00 0.00 0.00 36.38 31.91 2k4w s VAL 96 CO 0.49 0.03 1.95 -0.76 0.00 0.00 0.00 175.10 176.81 2k4w s LEU 97 N 1.96 3.86 0.29 3.92 1.43 0.18 -4.85 118.68 125.48 2k4w s LEU 97 Ca 0.45 2.00 -0.26 0.00 -1.03 0.00 0.00 54.13 55.29 2k4w s LEU 97 Cb -0.18 -3.52 -0.09 0.00 0.03 0.00 0.00 46.19 42.43 2k4w s LEU 97 CO 0.16 -1.48 0.91 -0.69 0.23 0.00 0.00 176.35 175.48 2k4w s VAL 98 N 6.22 4.23 -0.13 -1.59 1.01 -1.26 -0.42 120.40 128.47 2k4w s VAL 98 Ca 0.87 1.81 0.02 0.00 0.00 0.00 0.00 61.98 64.68 2k4w s VAL 98 Cb -0.33 -4.06 0.01 0.00 0.00 0.00 0.00 36.38 32.01 2k4w s VAL 98 CO 0.35 0.24 -0.18 -0.69 0.00 0.00 0.00 175.10 174.82 2k4w s VAL 99 N -1.50 1.72 0.67 2.92 1.01 -0.07 -4.48 120.40 120.67 2k4w s VAL 99 Ca 0.47 -0.77 -0.16 0.00 0.00 0.00 0.00 61.98 61.52 2k4w s VAL 99 Cb -0.20 -1.55 0.01 0.00 0.00 0.00 0.00 36.38 34.64 2k4w s VAL 99 CO 0.25 0.48 1.19 0.54 0.00 0.00 0.00 175.10 177.56 2k4w s ASN 100 N 0.98 4.69 0.00 3.32 2.20 -0.51 -3.67 114.94 121.96 2k4w s ASN 100 Ca -0.05 2.30 0.00 0.00 -0.94 0.00 0.00 52.86 54.17 2k4w s ASN 100 Cb -0.15 -2.59 0.00 0.00 -2.00 0.00 0.00 41.25 36.52 2k4w s ASN 100 CO -0.03 -1.92 0.57 -0.46 -2.94 0.00 0.00 177.10 172.32 2k4w n ASN 101 N -2.29 0.00 0.00 3.54 2.04 -1.26 -1.70 115.26 115.59 2k4w n ASN 101 Ca 0.13 0.15 0.00 0.00 -0.44 0.00 0.00 54.58 54.42 2k4w n ASN 101 Cb 0.50 -0.15 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 -0.67 -0.44 0.00 0.00 177.26 176.15 2k4w n ASP 102 N -1.07 1.44 0.00 0.53 2.03 -1.26 -4.91 116.55 113.31 2k4w n ASP 102 Ca 0.00 -1.44 0.00 0.00 0.52 0.00 0.00 54.79 53.87 2k4w n ASP 102 Cb 0.06 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.46 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 -0.22 1.19 3.22 0.27 0.00 -0.69 -5.02 105.19 103.94 2k4w n GLY 103 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 1.88 -0.27 -0.61 1.01 -1.26 -2.39 121.20 117.57 2k4w s ILE 104 Ca 0.00 -0.96 -0.11 0.00 0.00 0.00 0.00 60.65 59.58 2k4w s ILE 104 Cb 0.00 -1.61 -0.05 0.00 0.01 0.00 0.00 42.46 40.81 2k4w s ILE 104 CO 0.00 0.53 0.18 0.00 0.00 0.00 0.00 174.94 175.65 2k4w s ALA 105 N 0.01 3.53 0.00 9.38 0.00 -0.06 -1.42 121.76 133.19 2k4w s ALA 105 Ca -0.07 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 50.83 2k4w s ALA 105 Cb -0.14 -2.44 0.00 0.00 0.00 0.00 0.00 23.12 20.53 2k4w s ALA 105 CO 0.04 -0.50 0.34 -2.37 0.00 0.00 0.00 175.76 173.27 2k4w n THR 106 N 4.95 0.11 -2.78 0.00 5.66 -1.26 -2.19 114.28 118.77 2k4w n THR 106 Ca -0.14 -0.25 -0.42 0.00 -3.05 0.00 0.00 64.05 60.18 2k4w n THR 106 Cb 0.52 1.38 -0.03 0.00 -1.55 0.00 0.00 70.33 70.65 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 -0.11 4.08 0.37 1.09 8.01 -1.26 -4.57 118.70 126.31 2k4w s GLU 107 Ca 0.00 0.94 -0.23 0.00 0.01 0.00 0.00 54.97 55.69 2k4w s GLU 107 Cb 0.00 -3.70 -0.10 0.00 -4.31 0.00 0.00 34.13 26.01 2k4w s GLU 107 CO 0.00 -0.73 0.93 -1.25 0.01 0.00 0.00 175.26 174.23 2k4w s PRO 108 N 3.23 4.39 0.29 0.39 0.04 -1.26 -4.37 135.00 137.71 2k4w s PRO 108 Ca 0.39 1.19 0.03 0.00 0.04 0.00 0.00 61.00 62.66 2k4w s PRO 108 Cb -0.14 -2.49 -0.03 0.00 0.04 0.00 0.00 34.50 31.88 2k4w s PRO 108 CO 0.12 0.13 0.26 0.14 0.04 0.00 0.00 177.00 177.69 2k4w s VAL 109 N -1.90 0.00 0.00 -0.36 -7.23 -0.19 -5.02 120.40 105.71 2k4w s VAL 109 Ca 0.56 -1.94 0.00 0.00 -1.81 0.00 0.00 61.98 58.79 2k4w s VAL 109 Cb -0.14 -2.51 -0.00 0.00 0.56 0.00 0.00 36.38 34.29 2k4w s VAL 109 CO 0.18 0.00 -0.01 -0.89 -0.31 0.00 0.00 175.10 174.08 2k4w s THR 110 N -3.63 0.04 -0.69 5.32 2.01 -1.26 -0.38 115.64 117.05 2k4w s THR 110 Ca 0.39 -0.09 -0.08 0.00 0.31 0.00 0.00 61.69 62.21 2k4w s THR 110 Cb 0.03 -0.05 0.18 0.00 0.01 0.00 0.00 72.50 72.67 2k4w s THR 110 CO 0.22 -0.03 0.56 0.00 -0.69 0.00 0.00 174.62 174.67 2k4w s ALA 111 N -0.13 3.76 -1.11 7.40 0.00 -0.10 -4.83 121.76 126.76 2k4w s ALA 111 Ca -0.01 -3.20 0.14 0.00 0.00 0.00 0.00 51.96 48.89 2k4w s ALA 111 Cb -0.01 -3.03 0.61 0.00 0.00 0.00 0.00 23.12 20.69 2k4w s ALA 111 CO -0.00 -2.15 1.42 -0.35 0.00 0.00 0.00 175.76 174.68 2k4w n PRO 112 N 3.86 0.05 0.22 0.00 -0.04 -1.24 -2.12 135.00 135.73 2k4w n PRO 112 Ca 0.08 0.24 0.11 0.00 -0.04 0.00 0.00 63.50 63.89 2k4w n PRO 112 Cb 0.42 -1.50 0.69 0.00 -0.04 0.00 0.00 33.50 33.07 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 -6.17 0.54 3.08 -1.93 -3.41 114.38 106.49 2k4w h ARG 113 Ca 0.00 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.54 2k4w h ARG 113 Cb 0.21 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.21 2k4w h ARG 113 CO 0.00 0.00 -0.47 -0.51 -1.07 0.00 0.00 179.97 177.92 2k4w s LEU 114 N -8.76 3.52 0.00 3.04 2.01 -1.22 -5.07 118.68 112.19 2k4w s LEU 114 Ca -0.05 -0.56 0.04 0.00 0.01 0.00 0.00 54.13 53.57 2k4w s LEU 114 Cb 0.17 -2.10 0.06 0.00 0.01 0.00 0.00 46.19 44.33 2k4w s LEU 114 CO 0.66 -0.33 0.84 1.17 1.01 0.00 0.00 176.35 179.69 2k4w n LYS 115 N -1.32 0.00 -3.64 1.70 3.00 -1.26 -3.93 118.16 112.71 2k4w n LYS 115 Ca -0.02 -0.76 -0.02 0.00 -0.00 0.00 0.00 58.31 57.50 2k4w n LYS 115 Cb 0.60 0.08 -0.05 0.00 0.00 0.00 0.00 35.03 35.66 2k4w n LYS 115 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 2k4w s SER 116 N -0.76 -0.05 0.51 3.14 0.01 -1.26 -5.00 113.70 110.29 2k4w s SER 116 Ca 0.05 0.06 0.22 0.00 1.31 0.00 0.00 55.95 57.58 2k4w s SER 116 Cb 0.05 0.05 1.34 0.00 0.21 0.00 0.00 66.02 67.67 2k4w s SER 116 CO -0.02 -0.04 2.09 -0.07 0.41 0.00 0.00 173.24 175.61 2k4w h LEU 117 N 2.23 0.00 -0.96 2.44 -0.00 -1.96 -2.53 115.31 114.53 2k4w h LEU 117 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.77 2k4w h LEU 117 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.85 2k4w h LEU 117 CO 0.22 0.10 0.39 0.44 -0.00 0.00 0.00 178.44 179.59 2k4w h ASP 118 N 0.00 0.00 0.31 -0.43 5.19 -1.95 0.97 116.42 120.52 2k4w h ASP 118 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2k4w h ASP 118 Cb 0.22 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.73 2k4w h ASP 118 CO 0.01 0.00 -0.61 -0.62 -3.12 0.00 0.00 179.24 174.90 2k4w n GLU 119 N -2.21 0.14 -0.04 3.56 1.02 -0.95 -4.36 120.64 117.81 2k4w n GLU 119 Ca -0.01 -0.10 0.01 0.00 -0.02 0.00 0.00 57.16 57.04 2k4w n GLU 119 Cb 0.41 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.34 2k4w n GLU 119 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 2k4w n VAL 120 N -1.34 0.55 0.22 2.62 0.24 0.29 -4.91 118.33 115.99 2k4w n VAL 120 Ca 0.06 -0.57 0.02 0.00 -2.04 0.00 0.00 64.34 61.81 2k4w n VAL 120 Cb 0.34 0.68 0.11 0.00 -1.47 0.00 0.00 33.84 33.50 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 -0.30 0.09 -1.26 7.34 2.85 -0.94 -2.44 118.16 123.49 2k4w n LYS 121 Ca 0.01 0.15 -0.01 0.00 -1.05 0.00 0.00 58.31 57.40 2k4w n LYS 121 Cb 0.41 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 33.27 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 -1.17 0.07 -4.62 -5.58 2.03 -1.26 -4.68 116.55 101.35 2k4w n ASP 122 Ca 0.02 -2.00 -0.30 0.00 0.52 0.00 0.00 54.79 53.04 2k4w n ASP 122 Cb 0.02 -0.02 -0.09 0.00 -0.72 0.00 0.00 41.12 40.31 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 0.00 2.05 0.11 -0.67 1.02 -1.02 -2.16 119.74 119.07 2k4w s LYS 123 Ca 0.18 -2.25 0.10 0.00 0.02 0.00 0.00 55.97 54.03 2k4w s LYS 123 Cb 0.21 -1.40 -0.04 0.00 -0.52 0.00 0.00 37.83 36.08 2k4w s LYS 123 CO -0.09 -0.26 -0.26 0.00 -0.92 0.00 0.00 175.35 173.82 2k4w s ALA 124 N -2.90 2.25 0.81 5.17 0.00 -1.18 -1.12 121.76 124.79 2k4w s ALA 124 Ca 0.19 -1.40 -0.12 0.00 0.00 0.00 0.00 51.96 50.64 2k4w s ALA 124 Cb 0.05 -0.37 0.08 0.00 0.00 0.00 0.00 23.12 22.89 2k4w s ALA 124 CO 0.10 0.50 1.17 -0.51 0.00 0.00 0.00 175.76 177.03 2k4w s LEU 125 N -1.91 2.54 -0.18 0.00 1.43 0.06 -1.20 118.68 119.43 2k4w s LEU 125 Ca 0.12 0.73 -0.08 0.00 -1.03 0.00 0.00 54.13 53.87 2k4w s LEU 125 Cb -0.10 -3.21 0.07 0.00 0.03 0.00 0.00 46.19 42.99 2k4w s LEU 125 CO 0.05 -1.93 0.39 -0.32 0.23 0.00 0.00 176.35 174.78 2k4w s MET 126 N -5.57 0.33 -0.22 1.70 1.75 -0.56 -3.75 119.30 112.98 2k4w s MET 126 Ca 0.62 0.88 -0.26 0.00 -1.25 0.00 0.00 55.69 55.68 2k4w s MET 126 Cb -0.11 0.12 -0.00 0.00 2.84 0.00 0.00 34.83 37.68 2k4w s MET 126 CO 0.49 -0.21 0.89 0.42 -0.65 0.00 0.00 175.02 175.96 2k4w s ILE 127 N 1.99 4.81 0.05 10.11 1.01 -0.52 -1.87 121.20 136.78 2k4w s ILE 127 Ca -0.05 1.71 0.02 0.00 0.00 0.00 0.00 60.65 62.32 2k4w s ILE 127 Cb -0.10 -4.17 -0.04 0.00 0.01 0.00 0.00 42.46 38.15 2k4w s ILE 127 CO -0.12 -0.07 0.08 -1.00 0.00 0.00 0.00 174.94 173.82 2k4w s HIS 128 N 2.75 3.22 -0.07 3.97 3.76 0.18 -0.49 115.29 128.62 2k4w s HIS 128 Ca 0.38 0.12 0.15 0.00 -0.15 0.00 0.00 55.06 55.56 2k4w s HIS 128 Cb -0.16 -1.66 0.17 0.00 1.11 0.00 0.00 32.58 32.05 2k4w s HIS 128 CO 0.08 0.53 1.49 0.28 -0.85 0.00 0.00 174.74 176.27 2k4w h VAL 129 N 2.78 0.94 -3.12 -0.90 2.07 -0.29 -2.85 116.25 114.88 2k4w h VAL 129 Ca -0.47 -2.18 -0.40 0.00 0.82 0.00 0.00 66.70 64.47 2k4w h VAL 129 Cb 1.17 2.36 -0.14 0.00 -1.52 0.00 0.00 31.29 33.15 2k4w h VAL 129 CO 0.65 0.51 -0.69 -0.83 0.02 0.00 0.00 177.57 177.22 2k4w s GLY 130 N -4.46 1.43 0.46 2.17 0.00 -0.86 -4.71 107.32 101.36 2k4w s GLY 130 Ca 0.03 -1.69 -0.24 0.00 0.00 0.00 0.00 44.72 42.83 2k4w s GLY 130 CO 0.74 -1.70 1.27 -0.32 0.00 0.00 0.00 173.10 173.09 2k4w s GLY 131 N -3.29 2.86 0.00 0.20 0.00 -1.24 -0.96 107.32 104.89 2k4w s GLY 131 Ca 0.24 1.15 0.22 0.00 0.00 0.00 0.00 44.72 46.33 2k4w s GLY 131 CO 0.06 1.68 1.05 1.34 0.00 0.00 0.00 173.10 177.23 2k4w n ASP 132 N -0.39 1.10 0.29 1.64 2.03 -1.26 -4.16 116.55 115.80 2k4w n ASP 132 Ca 0.07 -0.97 0.15 0.00 0.52 0.00 0.00 54.79 54.56 2k4w n ASP 132 Cb 0.45 0.75 0.90 0.00 -0.72 0.00 0.00 41.12 42.50 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 0.48 0.00 -0.25 1.67 -0.73 -1.92 -3.39 115.58 111.44 2k4w h ASN 133 Ca 0.00 0.00 -0.69 0.00 1.87 0.00 0.00 56.30 57.48 2k4w h ASN 133 Cb 0.55 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.12 2k4w h ASN 133 CO 0.00 0.00 3.46 0.23 -0.37 0.00 0.00 177.43 180.75 2k4w n MET 134 N -3.90 3.75 0.00 6.67 2.81 -1.26 -3.36 117.12 121.83 2k4w n MET 134 Ca -0.03 -2.52 0.00 0.00 -1.81 0.00 0.00 57.70 53.34 2k4w n MET 134 Cb 0.08 -2.84 0.00 0.00 -0.71 0.00 0.00 33.22 29.76 2k4w n MET 134 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 2k4w n SER 135 N 3.59 0.00 -3.64 7.83 3.41 -1.26 -0.98 113.62 122.56 2k4w n SER 135 Ca 0.71 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 59.08 2k4w n SER 135 Cb 0.26 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.28 2k4w n SER 135 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2k4w n ASP 136 N 0.00 -5.08 -3.55 4.04 2.03 -1.26 -4.88 116.55 107.85 2k4w n ASP 136 Ca 0.00 -0.62 -0.08 0.00 0.52 0.00 0.00 54.79 54.62 2k4w n ASP 136 Cb 0.00 -4.77 -0.03 0.00 -0.72 0.00 0.00 41.12 35.59 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 -6.20 0.61 0.48 -0.67 -2.07 -1.26 -5.07 119.66 105.47 2k4w s GLN 137 Ca 0.47 -0.11 0.30 0.00 -1.82 0.00 0.00 55.36 54.20 2k4w s GLN 137 Cb -0.22 0.28 1.03 0.00 -1.09 0.00 0.00 33.01 33.02 2k4w s GLN 137 CO 0.75 -0.24 1.85 -1.00 -1.32 0.00 0.00 175.29 175.33 2k4w h PRO 138 N 2.18 0.00 -6.20 9.60 0.13 -1.99 -3.42 132.00 132.30 2k4w h PRO 138 Ca -0.17 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.40 2k4w h PRO 138 Cb 1.20 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 2k4w h PRO 138 CO 0.29 0.00 0.99 0.15 -0.23 0.00 0.00 178.00 179.19 2k4w s LYS 139 N -3.49 4.20 -0.07 0.86 1.02 -1.26 -4.97 119.74 116.04 2k4w s LYS 139 Ca 0.03 1.89 -0.30 0.00 0.02 0.00 0.00 55.97 57.62 2k4w s LYS 139 Cb 0.08 -3.87 -0.06 0.00 -0.52 0.00 0.00 37.83 33.47 2k4w s LYS 139 CO 0.56 -0.78 1.73 -1.25 -0.92 0.00 0.00 175.35 174.70 2k4w s PRO 140 N 3.75 4.07 -1.60 -1.68 0.04 -1.26 -1.91 135.00 136.41 2k4w s PRO 140 Ca 0.63 2.18 0.00 0.00 0.04 0.00 0.00 61.00 63.85 2k4w s PRO 140 Cb -0.27 -4.04 0.00 0.00 0.04 0.00 0.00 34.50 30.23 2k4w s PRO 140 CO 0.21 -0.99 0.00 1.28 0.04 0.00 0.00 177.00 177.54 2k4w n LEU 141 N 7.61 -1.53 -0.90 -3.56 7.99 -1.25 -1.69 117.00 123.67 2k4w n LEU 141 Ca 0.19 0.17 -0.12 0.00 -0.01 0.00 0.00 56.01 56.24 2k4w n LEU 141 Cb 0.43 -2.59 -0.05 0.00 -0.11 0.00 0.00 43.42 41.10 2k4w n LEU 141 CO 0.64 -0.39 -0.11 0.61 -1.51 0.00 0.00 177.39 176.62 2k4w n GLY 142 N -0.76 1.23 1.43 -0.72 0.00 -0.16 -1.04 105.19 105.18 2k4w n GLY 142 Ca -0.20 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.80 0.76 0.16 -0.02 0.00 -0.68 -4.96 105.19 99.65 2k4w n GLY 143 Ca -0.12 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.21 -0.83 0.05 -0.02 0.00 -0.20 -4.45 105.19 97.53 2k4w n GLY 144 Ca 0.00 -0.35 0.11 0.00 0.00 0.00 0.00 46.02 45.78 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 1.35 -1.28 3.62 -0.02 0.00 -1.26 -2.02 105.19 105.59 2k4w n GLY 145 Ca 0.12 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 2k4w n GLY 145 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k4w n THR 146 N -1.82 0.00 -4.13 2.61 -2.24 -1.26 -4.84 114.28 102.61 2k4w n THR 146 Ca 0.04 -0.09 -0.17 0.00 -2.27 0.00 0.00 64.05 61.57 2k4w n THR 146 Cb 0.26 -0.98 -0.15 0.00 -2.10 0.00 0.00 70.33 67.35 2k4w n THR 146 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k4w s ARG 147 N -4.56 0.50 -0.12 -0.78 3.03 -1.26 -0.54 118.95 115.22 2k4w s ARG 147 Ca 0.67 -0.13 0.19 0.00 2.03 0.00 0.00 55.73 58.49 2k4w s ARG 147 Cb -0.23 -0.52 -0.27 0.00 -1.03 0.00 0.00 34.95 32.89 2k4w s ARG 147 CO 0.60 0.03 0.24 0.98 -1.13 0.00 0.00 175.30 176.02 2k4w n TYR 148 N 3.37 0.00 -3.69 5.89 9.36 0.36 -4.89 117.16 127.56 2k4w n TYR 148 Ca -0.18 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 60.90 2k4w n TYR 148 Cb 0.55 -0.74 -0.09 0.00 -0.63 0.00 0.00 39.34 38.44 2k4w n TYR 148 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2k4w s ALA 149 N -2.89 -1.20 0.96 2.98 0.00 -1.17 -3.52 121.76 116.92 2k4w s ALA 149 Ca -0.09 1.12 -0.13 0.00 0.00 0.00 0.00 51.96 52.87 2k4w s ALA 149 Cb 0.09 -0.46 0.17 0.00 0.00 0.00 0.00 23.12 22.92 2k4w s ALA 149 CO 0.82 -0.26 1.12 0.00 0.00 0.00 0.00 175.76 177.44 2k4w n GLY 151 N -1.73 -2.04 3.72 0.00 0.00 -1.25 -2.54 105.19 101.36 2k4w n GLY 151 Ca 0.06 1.06 -0.42 0.00 0.00 0.00 0.00 46.02 46.72 2k4w n GLY 151 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k4w s VAL 152 N 0.00 2.98 -0.09 1.61 1.01 -1.26 -0.76 120.40 123.89 2k4w s VAL 152 Ca 0.00 0.72 -0.04 0.00 0.00 0.00 0.00 61.98 62.65 2k4w s VAL 152 Cb 0.00 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 2k4w s VAL 152 CO 0.00 0.06 0.09 -0.63 0.00 0.00 0.00 175.10 174.62 2k4w s ILE 153 N 0.99 5.00 -1.28 2.22 1.01 -0.28 -4.71 121.20 124.16 2k4w s ILE 153 Ca 0.66 -0.03 0.10 0.00 0.00 0.00 0.00 60.65 61.38 2k4w s ILE 153 Cb -0.40 -3.17 0.08 0.00 0.01 0.00 0.00 42.46 38.98 2k4w s ILE 153 CO 0.32 0.58 0.82 0.29 0.00 0.00 0.00 174.94 176.95