#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 -0.73 -0.10 0.00 0.01 -1.26 -1.75 113.70 109.87 2k4w s SER 2 Ca 0.00 1.22 -0.04 0.00 1.31 0.00 0.00 55.95 58.45 2k4w s SER 2 Cb 0.00 1.29 0.05 0.00 0.21 0.00 0.00 66.02 67.57 2k4w s SER 2 CO 0.00 -0.20 0.20 -0.70 0.41 0.00 0.00 173.24 172.95 2k4w s GLU 3 N 1.20 0.08 -1.39 12.44 2.12 0.79 -5.01 118.70 128.94 2k4w s GLU 3 Ca -0.07 0.62 -0.16 0.00 0.36 0.00 0.00 54.97 55.73 2k4w s GLU 3 Cb -0.05 -0.18 0.05 0.00 0.26 0.00 0.00 34.13 34.22 2k4w s GLU 3 CO -0.14 -0.29 2.02 1.17 -0.54 0.00 0.00 175.26 177.48 2k4w n LYS 4 N 5.24 3.01 -2.20 4.30 4.81 -1.26 -0.66 118.16 131.39 2k4w n LYS 4 Ca -0.07 -2.90 -0.42 0.00 -0.87 0.00 0.00 58.31 54.04 2k4w n LYS 4 Cb 0.50 -3.38 -0.03 0.00 0.02 0.00 0.00 35.03 32.15 2k4w n LYS 4 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2k4w s VAL 5 N 3.61 3.79 -0.90 3.15 1.01 0.12 -4.60 120.40 126.58 2k4w s VAL 5 Ca 0.50 1.08 -0.24 0.00 0.00 0.00 0.00 61.98 63.31 2k4w s VAL 5 Cb 0.10 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 2k4w s VAL 5 CO -0.02 -0.05 1.91 -0.83 0.00 0.00 0.00 175.10 176.11 2k4w s GLY 6 N 2.30 0.26 0.35 4.51 0.00 -1.26 -2.07 107.32 111.41 2k4w s GLY 6 Ca 0.65 -1.54 -0.19 0.00 0.00 0.00 0.00 44.72 43.63 2k4w s GLY 6 CO 0.25 3.43 0.85 1.06 0.00 0.00 0.00 173.10 178.68 2k4w s MET 7 N 6.86 4.20 0.25 2.90 -1.94 -1.26 -4.36 119.30 125.95 2k4w s MET 7 Ca 0.68 0.96 0.10 0.00 -1.71 0.00 0.00 55.69 55.73 2k4w s MET 7 Cb -0.06 -2.44 -0.04 0.00 2.01 0.00 0.00 34.83 34.29 2k4w s MET 7 CO -0.01 0.13 -0.10 -0.80 -0.01 0.00 0.00 175.02 174.23 2k4w s ASN 8 N -2.07 4.11 -0.05 3.03 -0.87 -0.05 -4.52 114.94 114.53 2k4w s ASN 8 Ca 0.55 -0.76 -0.30 0.00 -1.57 0.00 0.00 52.86 50.78 2k4w s ASN 8 Cb -0.12 -0.61 -0.04 0.00 -0.02 0.00 0.00 41.25 40.47 2k4w s ASN 8 CO 0.17 0.04 1.26 -0.76 -2.57 0.00 0.00 177.10 175.25 2k4w s LEU 9 N -3.36 4.28 0.02 0.60 1.43 0.50 -1.83 118.68 120.32 2k4w s LEU 9 Ca 0.29 1.89 -0.05 0.00 -1.03 0.00 0.00 54.13 55.22 2k4w s LEU 9 Cb -0.07 -3.56 -0.01 0.00 0.03 0.00 0.00 46.19 42.59 2k4w s LEU 9 CO 0.17 -0.64 0.09 0.68 0.23 0.00 0.00 176.35 176.88 2k4w s VAL 10 N 2.37 0.10 0.00 -1.59 -7.23 -1.25 -1.89 120.40 110.91 2k4w s VAL 10 Ca 0.58 -0.84 0.00 0.00 -1.81 0.00 0.00 61.98 59.91 2k4w s VAL 10 Cb -0.26 -0.52 0.00 0.00 0.56 0.00 0.00 36.38 36.16 2k4w s VAL 10 CO 0.23 -0.46 0.00 1.07 -0.31 0.00 0.00 175.10 175.62 2k4w n THR 11 N 1.30 0.00 0.00 5.32 5.66 -1.24 -4.60 114.28 120.72 2k4w n THR 11 Ca -0.22 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.78 2k4w n THR 11 Cb 0.56 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.34 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 1.04 1.79 0.00 -1.26 -4.07 120.51 118.02 2k4w n ALA 12 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2k4w n ALA 12 Cb 0.00 0.00 0.26 0.00 0.00 0.00 0.00 19.45 19.71 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 0.15 0.00 0.00 3.00 -1.26 -4.81 117.38 114.46 2k4w n GLN 13 Ca 0.00 -0.09 0.00 0.00 -0.01 0.00 0.00 57.00 56.90 2k4w n GLN 13 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.74 2k4w n GLN 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2k4w n GLY 14 N 1.47 -1.19 3.60 1.08 0.00 -1.26 -4.92 105.19 103.98 2k4w n GLY 14 Ca 0.07 -1.91 -0.43 0.00 0.00 0.00 0.00 46.02 43.75 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 3.24 0.00 1.61 1.01 -1.26 -3.68 120.40 121.32 2k4w s VAL 15 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.23 2k4w s VAL 15 Cb 0.00 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 33.07 2k4w s VAL 15 CO 0.00 -0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.52 2k4w n GLY 16 N 5.55 1.01 3.46 4.51 0.00 -0.79 -5.05 105.19 113.88 2k4w n GLY 16 Ca 0.26 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.19 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 0.00 1.30 0.42 1.61 -2.07 -1.24 -5.00 119.66 114.69 2k4w s GLN 17 Ca 0.00 -0.94 0.08 0.00 -1.82 0.00 0.00 55.36 52.67 2k4w s GLN 17 Cb 0.00 0.48 -0.01 0.00 -1.09 0.00 0.00 33.01 32.39 2k4w s GLN 17 CO 0.00 -0.53 0.45 0.45 -1.32 0.00 0.00 175.29 174.34 2k4w s SER 18 N -2.90 5.24 0.00 12.60 0.15 -1.26 -0.37 113.70 127.17 2k4w s SER 18 Ca 0.11 -0.65 0.00 0.00 0.70 0.00 0.00 55.95 56.11 2k4w s SER 18 Cb 0.00 -0.57 0.00 0.00 -1.71 0.00 0.00 66.02 63.75 2k4w s SER 18 CO -0.03 -0.71 0.17 2.30 1.20 0.00 0.00 173.24 176.18 2k4w n ILE 19 N -1.67 0.00 0.00 6.45 -5.35 -1.26 -4.95 119.36 112.59 2k4w n ILE 19 Ca 0.05 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.53 2k4w n ILE 19 Cb 0.61 0.48 0.00 0.00 -1.74 0.00 0.00 39.64 38.99 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 0.00 1.78 3.43 3.28 0.00 -1.26 -2.54 105.19 109.88 2k4w n GLY 20 Ca 0.00 -1.45 -0.22 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.87 0.69 -0.09 2.61 -4.23 -1.26 -4.06 115.64 107.43 2k4w s THR 21 Ca 0.00 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.54 2k4w s THR 21 Cb 0.00 -2.54 0.00 0.00 1.34 0.00 0.00 72.50 71.30 2k4w s THR 21 CO 0.00 0.00 -0.21 -0.69 -0.54 0.00 0.00 174.62 173.18 2k4w s VAL 22 N -3.40 1.81 -0.46 2.29 1.01 -0.88 -1.93 120.40 118.84 2k4w s VAL 22 Ca 0.32 -0.87 -0.29 0.00 0.00 0.00 0.00 61.98 61.14 2k4w s VAL 22 Cb 0.05 -1.58 0.02 0.00 0.00 0.00 0.00 36.38 34.88 2k4w s VAL 22 CO 0.15 0.50 1.23 0.54 0.00 0.00 0.00 175.10 177.53 2k4w s VAL 23 N 0.45 4.10 -0.18 2.92 0.11 0.41 0.15 120.40 128.36 2k4w s VAL 23 Ca -0.17 1.12 -0.20 0.00 -2.93 0.00 0.00 61.98 59.79 2k4w s VAL 23 Cb -0.17 -4.48 -0.03 0.00 -1.53 0.00 0.00 36.38 30.17 2k4w s VAL 23 CO 0.07 -0.94 0.59 -0.63 -3.33 0.00 0.00 175.10 170.86 2k4w s ILE 24 N 4.79 5.06 -0.08 7.04 1.01 0.17 -0.63 121.20 138.56 2k4w s ILE 24 Ca 0.52 1.13 0.04 0.00 0.00 0.00 0.00 60.65 62.34 2k4w s ILE 24 Cb -0.09 -3.92 0.00 0.00 0.01 0.00 0.00 42.46 38.47 2k4w s ILE 24 CO 0.32 0.16 -0.19 -0.62 0.00 0.00 0.00 174.94 174.61 2k4w s ASP 25 N 1.08 2.53 0.04 3.58 2.15 -0.47 -0.15 116.67 125.44 2k4w s ASP 25 Ca 0.28 -0.44 -0.30 0.00 0.43 0.00 0.00 52.55 52.52 2k4w s ASP 25 Cb -0.16 -1.07 -0.05 0.00 -0.30 0.00 0.00 42.92 41.35 2k4w s ASP 25 CO 0.11 0.12 1.08 -0.70 -0.17 0.00 0.00 175.17 175.61 2k4w s GLU 26 N 0.37 4.52 0.36 4.34 2.12 -0.72 -1.13 118.70 128.56 2k4w s GLU 26 Ca -0.14 1.59 -0.03 0.00 0.36 0.00 0.00 54.97 56.75 2k4w s GLU 26 Cb -0.16 -3.40 0.01 0.00 0.26 0.00 0.00 34.13 30.84 2k4w s GLU 26 CO 0.06 -0.11 0.51 -2.37 -0.54 0.00 0.00 175.26 172.81 2k4w n THR 27 N 3.73 0.00 0.25 -1.70 5.66 0.06 -4.59 114.28 117.69 2k4w n THR 27 Ca 0.07 -1.77 0.08 0.00 -3.05 0.00 0.00 64.05 59.38 2k4w n THR 27 Cb 0.49 1.11 0.62 0.00 -1.55 0.00 0.00 70.33 71.00 2k4w n THR 27 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 2k4w h GLU 28 N 0.00 0.00 -0.24 1.09 4.81 -1.96 0.11 114.58 118.39 2k4w h GLU 28 Ca -0.28 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 2k4w h GLU 28 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 2k4w h GLU 28 CO 0.38 0.05 0.00 0.41 -0.73 0.00 0.00 179.01 179.12 2k4w n GLY 29 N -1.37 0.09 5.22 1.92 0.00 -1.26 -5.01 105.19 104.78 2k4w n GLY 29 Ca -0.03 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 0.84 0.50 3.53 -0.02 0.00 0.39 -3.17 105.19 107.26 2k4w n GLY 30 Ca 0.07 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.56 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 3.73 -0.46 0.99 1.43 -0.86 -0.76 118.68 122.74 2k4w s LEU 31 Ca 0.00 -1.22 -0.29 0.00 -1.03 0.00 0.00 54.13 51.60 2k4w s LEU 31 Cb 0.00 -2.53 0.01 0.00 0.03 0.00 0.00 46.19 43.71 2k4w s LEU 31 CO 0.00 -1.53 1.37 -0.75 0.23 0.00 0.00 176.35 175.67 2k4w s LYS 32 N 4.75 3.53 -0.41 1.70 2.20 -0.29 -1.06 119.74 130.16 2k4w s LYS 32 Ca 0.38 0.75 -0.16 0.00 -0.36 0.00 0.00 55.97 56.58 2k4w s LYS 32 Cb -0.05 -4.03 0.02 0.00 -1.51 0.00 0.00 37.83 32.26 2k4w s LYS 32 CO -0.01 -1.63 0.39 0.12 -0.36 0.00 0.00 175.35 173.86 2k4w s PHE 33 N 5.43 3.19 -0.20 4.03 5.36 0.67 -1.37 117.98 135.10 2k4w s PHE 33 Ca 0.57 -0.42 0.01 0.00 -0.96 0.00 0.00 56.93 56.13 2k4w s PHE 33 Cb -0.12 -2.78 0.04 0.00 -0.34 0.00 0.00 43.02 39.82 2k4w s PHE 33 CO 0.31 -0.65 -0.11 0.99 -1.46 0.00 0.00 175.22 174.30 2k4w s THR 34 N 1.99 1.65 0.54 0.12 2.01 0.20 -1.19 115.64 120.95 2k4w s THR 34 Ca 0.10 -0.99 -0.15 0.00 0.31 0.00 0.00 61.69 60.96 2k4w s THR 34 Cb -0.18 -1.71 -0.07 0.00 0.01 0.00 0.00 72.50 70.56 2k4w s THR 34 CO 0.12 0.20 0.99 -2.16 -0.69 0.00 0.00 174.62 173.08 2k4w s PRO 35 N 1.40 3.85 -0.38 4.92 0.04 -1.26 -0.45 135.00 143.12 2k4w s PRO 35 Ca -0.01 0.88 0.12 0.00 0.04 0.00 0.00 61.00 62.03 2k4w s PRO 35 Cb -0.16 -2.13 0.39 0.00 0.04 0.00 0.00 34.50 32.64 2k4w s PRO 35 CO -0.08 -0.34 1.06 -2.39 0.04 0.00 0.00 177.00 175.28 2k4w n HIS 36 N -1.88 -0.93 -4.33 0.56 1.44 -0.81 -4.09 115.22 105.18 2k4w n HIS 36 Ca 0.06 -2.61 -0.34 0.00 -2.01 0.00 0.00 57.72 52.81 2k4w n HIS 36 Cb 0.54 0.61 -0.11 0.00 0.12 0.00 0.00 29.99 31.15 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 -2.83 3.49 -0.21 2.39 1.02 -1.18 -3.98 118.68 117.39 2k4w s LEU 37 Ca 0.27 0.03 0.15 0.00 0.02 0.00 0.00 54.13 54.60 2k4w s LEU 37 Cb 0.38 -1.83 0.58 0.00 0.02 0.00 0.00 46.19 45.35 2k4w s LEU 37 CO -0.04 0.27 1.49 2.29 0.02 0.00 0.00 176.35 180.38 2k4w n LYS 38 N 2.89 3.10 -2.73 1.70 2.85 -1.05 -0.88 118.16 124.04 2k4w n LYS 38 Ca -0.18 -2.93 -0.08 0.00 -1.05 0.00 0.00 58.31 54.07 2k4w n LYS 38 Cb 0.53 -1.92 0.07 0.00 -0.65 0.00 0.00 35.03 33.06 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 -0.42 -1.53 -2.40 0.58 0.00 -0.88 -4.62 120.51 111.24 2k4w n ALA 39 Ca 0.25 -1.24 -0.21 0.00 0.00 0.00 0.00 53.44 52.24 2k4w n ALA 39 Cb 0.98 -1.59 -0.10 0.00 0.00 0.00 0.00 19.45 18.73 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 -1.26 2.56 0.13 0.00 1.02 -0.20 -5.04 118.68 115.89 2k4w s LEU 40 Ca 0.27 -1.07 -0.31 0.00 0.02 0.00 0.00 54.13 53.04 2k4w s LEU 40 Cb 0.26 -0.78 -0.09 0.00 0.02 0.00 0.00 46.19 45.59 2k4w s LEU 40 CO -0.16 -0.16 1.57 -2.16 0.02 0.00 0.00 176.35 175.46 2k4w s PRO 41 N -3.63 4.22 -0.20 1.29 0.04 -1.26 -4.31 135.00 131.15 2k4w s PRO 41 Ca 0.26 2.32 -0.01 0.00 0.04 0.00 0.00 61.00 63.61 2k4w s PRO 41 Cb -0.01 -3.28 0.09 0.00 0.04 0.00 0.00 34.50 31.34 2k4w s PRO 41 CO 0.10 -0.62 2.21 -0.35 0.04 0.00 0.00 177.00 178.39 2k4w n PRO 42 N 4.39 1.61 0.00 0.56 -0.04 -1.26 -4.72 135.00 135.54 2k4w n PRO 42 Ca 0.14 -1.08 0.00 0.00 -0.04 0.00 0.00 63.50 62.52 2k4w n PRO 42 Cb 0.39 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 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 0.95 0.99 2.83 0.55 0.00 -1.26 -4.21 105.19 105.05 2k4w n GLY 43 Ca 0.23 -0.49 -0.14 0.00 0.00 0.00 0.00 46.02 45.62 2k4w n GLY 43 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k4w s GLU 44 N 4.28 0.07 -0.07 1.61 -1.05 -1.26 -0.25 118.70 122.02 2k4w s GLU 44 Ca 0.00 0.06 -0.02 0.00 -0.15 0.00 0.00 54.97 54.86 2k4w s GLU 44 Cb 0.00 -0.20 0.03 0.00 -0.44 0.00 0.00 34.13 33.53 2k4w s GLU 44 CO 0.00 -0.07 0.03 -1.01 0.95 0.00 0.00 175.26 175.16 2k4w s HIS 45 N 0.52 0.47 0.13 4.83 3.76 -0.16 -4.30 115.29 120.54 2k4w s HIS 45 Ca -0.05 -0.09 -0.35 0.00 -0.15 0.00 0.00 55.06 54.43 2k4w s HIS 45 Cb -0.07 -0.71 -0.15 0.00 1.11 0.00 0.00 32.58 32.76 2k4w s HIS 45 CO -0.01 -0.31 1.47 0.41 -0.85 0.00 0.00 174.74 175.44 2k4w n GLY 46 N 5.20 0.82 3.44 -2.22 0.00 -0.55 0.17 105.19 112.04 2k4w n GLY 46 Ca -0.06 0.67 -0.35 0.00 0.00 0.00 0.00 46.02 46.29 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 0.70 3.03 0.39 1.61 5.36 -0.98 -0.61 117.98 127.49 2k4w s PHE 47 Ca 0.81 -0.50 0.05 0.00 -0.96 0.00 0.00 56.93 56.34 2k4w s PHE 47 Cb -0.81 -2.08 -0.06 0.00 -0.34 0.00 0.00 43.02 39.73 2k4w s PHE 47 CO 0.42 -0.26 0.03 -1.01 -1.46 0.00 0.00 175.22 172.94 2k4w s HIS 48 N 1.02 2.21 -0.10 10.12 3.76 -0.36 -4.04 115.29 127.90 2k4w s HIS 48 Ca 0.02 -0.84 -0.01 0.00 -0.15 0.00 0.00 55.06 54.07 2k4w s HIS 48 Cb -0.14 -1.55 -0.03 0.00 1.11 0.00 0.00 32.58 31.96 2k4w s HIS 48 CO 0.01 0.22 -0.03 0.42 -0.85 0.00 0.00 174.74 174.51 2k4w s ILE 49 N -2.96 3.98 0.50 0.60 1.01 -0.67 -1.08 121.20 122.57 2k4w s ILE 49 Ca 0.31 -0.36 0.06 0.00 0.00 0.00 0.00 60.65 60.66 2k4w s ILE 49 Cb 0.08 -2.67 0.01 0.00 0.01 0.00 0.00 42.46 39.89 2k4w s ILE 49 CO 0.15 0.57 0.37 -1.00 0.00 0.00 0.00 174.94 175.03 2k4w s HIS 50 N -0.52 2.02 0.07 3.97 3.76 -0.77 -4.13 115.29 119.69 2k4w s HIS 50 Ca 0.08 -0.72 -0.17 0.00 -0.15 0.00 0.00 55.06 54.10 2k4w s HIS 50 Cb -0.12 -1.99 -0.13 0.00 1.11 0.00 0.00 32.58 31.46 2k4w s HIS 50 CO 0.02 -0.31 1.34 0.00 -0.85 0.00 0.00 174.74 174.94 2k4w h ALA 51 N 0.91 0.30 -3.72 -1.40 0.00 -1.16 -3.38 119.26 110.81 2k4w h ALA 51 Ca -0.39 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.11 2k4w h ALA 51 Cb 1.29 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2k4w h ALA 51 CO 0.59 0.33 0.00 0.09 0.00 0.00 0.00 179.25 180.26 2k4w n ASN 52 N -4.33 1.70 -3.35 0.00 3.02 0.05 -4.85 115.26 107.49 2k4w n ASN 52 Ca -0.06 -0.72 -0.22 0.00 -0.03 0.00 0.00 54.58 53.55 2k4w n ASN 52 Cb 0.48 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.56 2k4w n ASN 52 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2k4w s GLY 53 N -0.87 0.47 -0.30 7.41 0.00 -1.08 -0.77 107.32 112.17 2k4w s GLY 53 Ca 0.00 -1.61 -0.14 0.00 0.00 0.00 0.00 44.72 42.97 2k4w s GLY 53 CO 0.00 2.46 1.13 -0.56 0.00 0.00 0.00 173.10 176.13 2k4w s SER 54 N 0.89 -0.16 0.00 1.64 0.01 -1.05 -4.84 113.70 110.18 2k4w s SER 54 Ca 0.23 -0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.48 2k4w s SER 54 Cb -0.11 0.88 0.00 0.00 0.21 0.00 0.00 66.02 67.00 2k4w s SER 54 CO -0.07 -0.03 0.54 0.00 0.41 0.00 0.00 173.24 174.10 2k4w s GLN 56 N 0.99 2.95 0.42 0.00 -1.52 -1.26 -4.02 119.66 117.22 2k4w s GLN 56 Ca 0.00 -0.73 -0.09 0.00 -1.95 0.00 0.00 55.36 52.60 2k4w s GLN 56 Cb 0.00 -2.47 -0.06 0.00 -0.22 0.00 0.00 33.01 30.27 2k4w s GLN 56 CO 0.00 0.38 0.76 -1.25 -0.25 0.00 0.00 175.29 174.93 2k4w s PRO 57 N -0.10 3.70 0.00 2.91 0.04 -1.24 -1.89 135.00 138.42 2k4w s PRO 57 Ca -0.03 0.37 -0.15 0.00 0.04 0.00 0.00 61.00 61.23 2k4w s PRO 57 Cb -0.14 -2.40 -0.06 0.00 0.04 0.00 0.00 34.50 31.95 2k4w s PRO 57 CO 0.04 -0.08 0.43 0.00 0.04 0.00 0.00 177.00 177.43 2k4w s ALA 58 N -2.47 3.67 -0.33 8.56 0.00 -1.25 -4.88 121.76 125.07 2k4w s ALA 58 Ca 0.50 -0.19 -0.24 0.00 0.00 0.00 0.00 51.96 52.03 2k4w s ALA 58 Cb -0.10 -2.43 0.01 0.00 0.00 0.00 0.00 23.12 20.59 2k4w s ALA 58 CO 0.35 0.44 0.82 0.42 0.00 0.00 0.00 175.76 177.80 2k4w s ILE 59 N -0.98 4.73 -0.29 0.00 -1.09 -1.26 -0.55 121.20 121.76 2k4w s ILE 59 Ca 0.24 1.13 -0.21 0.00 -2.23 0.00 0.00 60.65 59.58 2k4w s ILE 59 Cb -0.17 -4.21 0.15 0.00 -1.58 0.00 0.00 42.46 36.66 2k4w s ILE 59 CO 0.14 -0.35 1.11 -0.75 -1.23 0.00 0.00 174.94 173.85 2k4w s LYS 60 N 3.11 0.34 -1.53 2.79 2.20 -0.06 -4.95 119.74 121.63 2k4w s LYS 60 Ca 0.34 0.48 -0.13 0.00 -0.36 0.00 0.00 55.97 56.29 2k4w s LYS 60 Cb -0.13 0.13 0.08 0.00 -1.51 0.00 0.00 37.83 36.40 2k4w s LYS 60 CO 0.15 -0.05 0.91 -3.47 -0.36 0.00 0.00 175.35 172.52 2k4w n ASP 61 N 2.68 -4.08 -0.03 1.43 2.03 -1.26 -2.36 116.55 114.95 2k4w n ASP 61 Ca -0.15 -0.82 -0.00 0.00 0.52 0.00 0.00 54.79 54.34 2k4w n ASP 61 Cb 0.57 -3.72 -0.00 0.00 -0.72 0.00 0.00 41.12 37.25 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 -1.66 0.37 0.00 0.27 0.00 -1.26 -4.93 105.19 97.98 2k4w n GLY 62 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2k4w n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4w n GLN 63 N -1.76 0.00 -4.36 1.61 10.64 -1.00 -5.17 117.38 117.35 2k4w n GLN 63 Ca -0.00 0.00 -0.33 0.00 -1.83 0.00 0.00 57.00 54.84 2k4w n GLN 63 Cb 0.17 0.00 -0.16 0.00 -0.86 0.00 0.00 30.24 29.38 2k4w n GLN 63 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2k4w s ALA 64 N -1.38 2.26 -1.30 2.61 0.00 -1.26 -0.88 121.76 121.80 2k4w s ALA 64 Ca 0.00 -1.14 -0.18 0.00 0.00 0.00 0.00 51.96 50.64 2k4w s ALA 64 Cb 0.00 -1.09 0.06 0.00 0.00 0.00 0.00 23.12 22.09 2k4w s ALA 64 CO 0.00 -0.20 1.79 0.28 0.00 0.00 0.00 175.76 177.63 2k4w n VAL 65 N 4.38 3.79 0.00 0.00 0.31 0.29 -4.84 118.33 122.26 2k4w n VAL 65 Ca -0.20 -3.89 0.00 0.00 -0.01 0.00 0.00 64.34 60.23 2k4w n VAL 65 Cb 0.51 -2.36 0.00 0.00 -0.91 0.00 0.00 33.84 31.07 2k4w n VAL 65 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2k4w n ALA 66 N 8.52 0.00 -2.91 3.52 0.00 -1.26 -1.97 120.51 126.40 2k4w n ALA 66 Ca 0.49 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.81 2k4w n ALA 66 Cb 0.45 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.90 2k4w n ALA 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k4w n ALA 67 N 0.00 -0.37 -0.24 0.00 0.00 -1.26 -3.65 120.51 114.99 2k4w n ALA 67 Ca 0.00 -1.82 0.03 0.00 0.00 0.00 0.00 53.44 51.65 2k4w n ALA 67 Cb 0.00 -1.23 0.27 0.00 0.00 0.00 0.00 19.45 18.49 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 4.58 0.93 -0.00 0.00 4.81 -0.72 -1.14 114.58 123.04 2k4w h GLU 68 Ca 0.02 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2k4w h GLU 68 Cb 1.02 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.19 2k4w h GLU 68 CO 0.25 0.61 -0.02 0.00 -0.73 0.00 0.00 179.01 179.12 2k4w n ALA 69 N -2.42 2.61 0.12 2.92 0.00 -1.22 -2.67 120.51 119.85 2k4w n ALA 69 Ca 0.11 -0.19 0.11 0.00 0.00 0.00 0.00 53.44 53.46 2k4w n ALA 69 Cb 0.14 -1.46 -0.12 0.00 0.00 0.00 0.00 19.45 18.00 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 -1.08 2.94 0.00 0.00 0.00 -0.50 -2.54 120.51 119.33 2k4w n ALA 70 Ca 0.18 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.15 2k4w n ALA 70 Cb 0.21 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 18.83 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 1.27 -2.64 0.00 0.00 0.00 -0.80 -0.77 105.19 102.25 2k4w n GLY 71 Ca -0.02 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.33 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 -0.59 -1.72 3.75 -0.02 0.00 -1.26 -4.48 105.19 100.87 2k4w n GLY 72 Ca 0.00 -1.53 -0.39 0.00 0.00 0.00 0.00 46.02 44.10 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 -1.48 2.38 -2.31 1.61 8.25 -1.26 -1.48 115.22 120.92 2k4w n HIS 73 Ca 0.00 0.43 -0.34 0.00 -0.26 0.00 0.00 57.72 57.55 2k4w n HIS 73 Cb 0.00 -2.38 -0.04 0.00 1.12 0.00 0.00 29.99 28.69 2k4w n HIS 73 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2k4w s LEU 74 N -3.24 3.36 -0.30 2.41 2.96 -1.26 -4.43 118.68 118.19 2k4w s LEU 74 Ca 0.69 -1.32 -0.04 0.00 -0.22 0.00 0.00 54.13 53.24 2k4w s LEU 74 Cb -0.43 -2.57 0.19 0.00 0.50 0.00 0.00 46.19 43.88 2k4w s LEU 74 CO 0.51 -2.12 0.72 1.51 -1.32 0.00 0.00 176.35 175.66 2k4w s ASP 75 N 6.19 -1.14 -0.15 3.68 1.47 -1.26 -4.13 116.67 121.34 2k4w s ASP 75 Ca 0.59 0.73 -0.26 0.00 1.18 0.00 0.00 52.55 54.79 2k4w s ASP 75 Cb -0.02 1.96 -0.23 0.00 -0.34 0.00 0.00 42.92 44.29 2k4w s ASP 75 CO -0.01 -0.21 0.63 1.55 0.68 0.00 0.00 175.17 177.80 2k4w h PRO 76 N 8.00 0.00 -4.57 2.11 0.13 -2.04 -3.46 132.00 132.18 2k4w h PRO 76 Ca -0.20 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.38 2k4w h PRO 76 Cb 1.16 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.95 2k4w h PRO 76 CO 0.16 0.92 -0.82 1.14 -0.23 0.00 0.00 178.00 179.17 2k4w s GLN 77 N -2.19 1.87 0.00 0.86 0.00 -1.26 -5.03 119.66 113.91 2k4w s GLN 77 Ca -0.19 -0.44 0.00 0.00 -0.00 0.00 0.00 55.36 54.73 2k4w s GLN 77 Cb -0.02 -1.62 0.00 0.00 0.00 0.00 0.00 33.01 31.37 2k4w s GLN 77 CO 0.62 -0.06 0.00 0.27 0.00 0.00 0.00 175.29 176.13 2k4w n ASN 78 N 4.15 0.00 0.00 12.60 0.23 -1.26 -5.05 115.26 125.93 2k4w n ASN 78 Ca -0.20 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.85 2k4w n ASN 78 Cb 0.51 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.21 2k4w n ASN 78 CO 0.00 0.00 0.00 1.07 -0.93 0.00 0.00 177.26 177.40 2k4w n THR 79 N 0.00 0.00 0.00 5.53 5.66 -1.26 -5.08 114.28 119.13 2k4w n THR 79 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2k4w n THR 79 Cb 0.00 -0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2k4w n THR 79 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2k4w n GLY 80 N -0.75 1.87 0.24 1.09 0.00 -0.73 -4.89 105.19 102.03 2k4w n GLY 80 Ca 0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 46.02 45.77 2k4w n GLY 80 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2k4w h LYS 81 N 0.00 -0.08 0.00 1.61 2.10 -1.77 -3.32 116.57 115.11 2k4w h LYS 81 Ca 0.00 0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 2k4w h LYS 81 Cb 0.00 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.35 2k4w h LYS 81 CO 0.00 -0.06 0.00 0.72 -2.00 0.00 0.00 179.45 178.11 2k4w n HIS 82 N -5.38 0.00 0.15 0.07 8.25 -0.09 -4.64 115.22 113.58 2k4w n HIS 82 Ca 0.03 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.39 2k4w n HIS 82 Cb 0.29 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.34 2k4w n HIS 82 CO 0.00 0.00 0.00 1.05 0.64 0.00 0.00 176.34 178.03 2k4w h GLU 83 N 0.00 -0.43 0.00 -0.41 4.11 -1.84 -3.37 114.58 112.64 2k4w h GLU 83 Ca 0.00 0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.46 2k4w h GLU 83 Cb 0.00 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2k4w h GLU 83 CO 0.00 -0.15 0.00 0.41 0.07 0.00 0.00 179.01 179.34 2k4w n GLY 84 N 0.31 1.65 0.15 1.06 0.00 -1.26 -1.11 105.19 105.98 2k4w n GLY 84 Ca -0.08 0.60 -0.08 0.00 0.00 0.00 0.00 46.02 46.46 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 0.27 0.00 1.61 0.13 -1.89 -3.41 132.00 128.71 2k4w h PRO 85 Ca 0.00 -0.24 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 2k4w h PRO 85 Cb 0.00 0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.19 2k4w h PRO 85 CO 0.00 0.91 0.00 0.39 -0.23 0.00 0.00 178.00 179.07 2k4w n GLU 86 N -3.77 0.02 -0.07 0.86 1.02 -0.87 -5.06 120.64 112.76 2k4w n GLU 86 Ca -0.04 -0.22 0.00 0.00 -0.02 0.00 0.00 57.16 56.88 2k4w n GLU 86 Cb 0.73 -0.57 0.00 0.00 -0.02 0.00 0.00 31.44 31.58 2k4w n GLU 86 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k4w n GLY 87 N -0.02 0.52 2.56 0.62 0.00 -0.27 -5.00 105.19 103.60 2k4w n GLY 87 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2k4w n GLY 87 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2k4w n GLN 88 N -2.00 2.98 0.00 1.61 1.13 -1.25 -4.70 117.38 115.15 2k4w n GLN 88 Ca 0.00 -2.16 0.00 0.00 -1.94 0.00 0.00 57.00 52.90 2k4w n GLN 88 Cb 0.00 -2.89 0.00 0.00 0.11 0.00 0.00 30.24 27.46 2k4w n GLN 88 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2k4w n GLY 89 N 3.85 5.51 3.17 1.08 0.00 -1.26 -0.92 105.19 116.63 2k4w n GLY 89 Ca 0.63 -1.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.42 2k4w n GLY 89 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2k4w s HIS 90 N 1.82 0.12 0.58 1.61 -3.43 -1.25 -1.77 115.29 112.97 2k4w s HIS 90 Ca 0.00 -0.43 0.37 0.00 -0.80 0.00 0.00 55.06 54.20 2k4w s HIS 90 Cb 0.00 -0.07 2.04 0.00 -1.43 0.00 0.00 32.58 33.12 2k4w s HIS 90 CO 0.00 -0.44 2.28 1.37 -2.00 0.00 0.00 174.74 175.94 2k4w h LEU 91 N 3.31 0.00 -1.86 5.38 8.10 -1.96 -0.75 115.31 127.52 2k4w h LEU 91 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.66 2k4w h LEU 91 Cb 1.19 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.41 2k4w h LEU 91 CO 0.51 0.01 0.00 0.61 -4.11 0.00 0.00 178.44 175.47 2k4w n GLY 92 N -1.05 1.18 3.77 0.17 0.00 -1.26 -4.83 105.19 103.15 2k4w n GLY 92 Ca -0.03 -0.62 -0.40 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.53 5.95 0.18 1.61 1.01 -0.29 -1.67 116.67 121.92 2k4w s ASP 93 Ca 0.36 2.82 -0.04 0.00 0.71 0.00 0.00 52.55 56.40 2k4w s ASP 93 Cb 0.21 -2.65 0.02 0.00 1.01 0.00 0.00 42.92 41.51 2k4w s ASP 93 CO 0.30 -1.12 0.31 0.18 0.21 0.00 0.00 175.17 175.05 2k4w n LEU 94 N -0.19 0.00 -4.91 1.23 4.32 -1.26 -4.95 117.00 111.24 2k4w n LEU 94 Ca 0.05 -1.26 -0.28 0.00 -0.02 0.00 0.00 56.01 54.50 2k4w n LEU 94 Cb 0.43 1.55 0.08 0.00 -1.62 0.00 0.00 43.42 43.86 2k4w n LEU 94 CO 0.57 -0.36 0.73 -2.16 -1.22 0.00 0.00 177.39 174.94 2k4w s PRO 95 N -2.18 2.06 -0.10 3.23 0.04 -1.26 -4.75 135.00 132.04 2k4w s PRO 95 Ca 0.10 -0.02 -0.26 0.00 0.04 0.00 0.00 61.00 60.86 2k4w s PRO 95 Cb -0.02 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 2k4w s PRO 95 CO 0.07 -1.46 0.83 0.08 0.04 0.00 0.00 177.00 176.56 2k4w s VAL 96 N -3.46 4.92 -1.18 -0.36 1.01 -1.26 -2.32 120.40 117.76 2k4w s VAL 96 Ca 0.61 1.68 -0.21 0.00 0.00 0.00 0.00 61.98 64.06 2k4w s VAL 96 Cb -0.11 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.09 2k4w s VAL 96 CO 0.47 0.12 1.84 -0.22 0.00 0.00 0.00 175.10 177.32 2k4w s LEU 97 N 1.49 3.34 0.41 3.92 1.98 0.13 -4.84 118.68 125.11 2k4w s LEU 97 Ca 0.41 -1.80 -0.26 0.00 -2.89 0.00 0.00 54.13 49.59 2k4w s LEU 97 Cb -0.18 -2.58 -0.09 0.00 0.66 0.00 0.00 46.19 44.00 2k4w s LEU 97 CO 0.18 -2.35 1.35 -0.69 -1.89 0.00 0.00 176.35 172.95 2k4w s VAL 98 N 8.43 2.42 -0.03 1.68 1.01 -1.26 -0.99 120.40 131.66 2k4w s VAL 98 Ca 0.63 0.39 0.05 0.00 0.00 0.00 0.00 61.98 63.05 2k4w s VAL 98 Cb 0.00 -3.23 -0.01 0.00 0.00 0.00 0.00 36.38 33.14 2k4w s VAL 98 CO 0.09 0.06 -0.18 -0.69 0.00 0.00 0.00 175.10 174.38 2k4w s VAL 99 N -1.22 1.47 0.44 2.92 1.01 0.65 -4.56 120.40 121.11 2k4w s VAL 99 Ca 0.57 -0.78 -0.26 0.00 0.00 0.00 0.00 61.98 61.52 2k4w s VAL 99 Cb -0.41 -1.24 -0.09 0.00 0.00 0.00 0.00 36.38 34.65 2k4w s VAL 99 CO 0.53 0.42 1.42 0.21 0.00 0.00 0.00 175.10 177.67 2k4w s ASN 100 N -0.27 5.97 0.53 3.32 2.47 -1.22 -4.20 114.94 121.53 2k4w s ASN 100 Ca 0.03 2.90 0.18 0.00 0.42 0.00 0.00 52.86 56.39 2k4w s ASN 100 Cb -0.09 -2.65 0.98 0.00 -1.45 0.00 0.00 41.25 38.04 2k4w s ASN 100 CO 0.00 -1.11 1.50 -0.55 -3.72 0.00 0.00 177.10 173.22 2k4w h ASN 101 N 2.43 0.00 0.39 -4.21 -0.00 -1.89 -1.51 115.58 110.78 2k4w h ASN 101 Ca -0.51 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.79 2k4w h ASN 101 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.58 2k4w h ASN 101 CO 0.62 0.00 -0.85 -0.67 -0.00 0.00 0.00 177.43 176.52 2k4w n ASP 102 N -2.47 0.65 0.00 6.14 2.03 -1.26 -4.82 116.55 116.82 2k4w n ASP 102 Ca -0.01 -0.36 0.00 0.00 0.52 0.00 0.00 54.79 54.94 2k4w n ASP 102 Cb 0.47 0.65 0.00 0.00 -0.72 0.00 0.00 41.12 41.52 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 1.43 1.11 3.32 0.27 0.00 -0.57 -4.97 105.19 105.77 2k4w n GLY 103 Ca 0.03 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 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 3.01 -0.14 -0.61 1.09 -1.26 -1.03 121.20 120.26 2k4w s ILE 104 Ca 0.00 -0.65 -0.23 0.00 -1.10 0.00 0.00 60.65 58.67 2k4w s ILE 104 Cb 0.00 -2.30 -0.03 0.00 -1.06 0.00 0.00 42.46 39.08 2k4w s ILE 104 CO 0.00 0.49 0.73 0.00 -0.10 0.00 0.00 174.94 176.06 2k4w s ALA 105 N 0.83 3.46 0.00 9.38 0.00 -0.06 -3.44 121.76 131.92 2k4w s ALA 105 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 51.91 2k4w s ALA 105 Cb -0.15 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 19.91 2k4w s ALA 105 CO 0.00 -0.42 0.00 -2.37 0.00 0.00 0.00 175.76 172.98 2k4w n THR 106 N 4.37 0.00 -2.28 0.00 5.66 -1.26 -3.08 114.28 117.68 2k4w n THR 106 Ca 0.01 -0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.58 2k4w n THR 106 Cb 0.50 1.35 -0.02 0.00 -1.55 0.00 0.00 70.33 70.60 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 3.78 0.34 1.09 8.01 -1.26 -4.63 118.70 126.03 2k4w s GLU 107 Ca 0.00 1.34 -0.27 0.00 0.01 0.00 0.00 54.97 56.05 2k4w s GLU 107 Cb 0.00 -3.97 -0.09 0.00 -4.31 0.00 0.00 34.13 25.75 2k4w s GLU 107 CO 0.00 -1.30 1.07 -1.25 0.01 0.00 0.00 175.26 173.79 2k4w s PRO 108 N 4.55 4.41 0.18 0.39 0.04 -1.26 -4.34 135.00 138.97 2k4w s PRO 108 Ca 0.63 1.65 -0.01 0.00 0.04 0.00 0.00 61.00 63.31 2k4w s PRO 108 Cb -0.19 -2.88 -0.04 0.00 0.04 0.00 0.00 34.50 31.43 2k4w s PRO 108 CO 0.27 0.05 0.11 0.14 0.04 0.00 0.00 177.00 177.61 2k4w s VAL 109 N -1.40 0.04 -0.01 -0.36 -7.23 -0.33 -5.03 120.40 106.09 2k4w s VAL 109 Ca 0.51 -1.98 -0.01 0.00 -1.81 0.00 0.00 61.98 58.69 2k4w s VAL 109 Cb -0.27 -2.38 0.00 0.00 0.56 0.00 0.00 36.38 34.29 2k4w s VAL 109 CO 0.34 -0.13 0.02 -0.89 -0.31 0.00 0.00 175.10 174.14 2k4w s THR 110 N -4.12 0.01 -0.57 5.32 2.01 -1.26 -0.24 115.64 116.80 2k4w s THR 110 Ca 0.35 -0.09 -0.07 0.00 0.31 0.00 0.00 61.69 62.19 2k4w s THR 110 Cb 0.07 -0.07 0.15 0.00 0.01 0.00 0.00 72.50 72.66 2k4w s THR 110 CO 0.09 -0.05 0.42 0.00 -0.69 0.00 0.00 174.62 174.39 2k4w s ALA 111 N -0.14 3.52 -2.00 7.40 0.00 -0.22 -4.86 121.76 125.47 2k4w s ALA 111 Ca -0.02 -2.91 0.10 0.00 0.00 0.00 0.00 51.96 49.13 2k4w s ALA 111 Cb -0.01 -2.80 0.58 0.00 0.00 0.00 0.00 23.12 20.89 2k4w s ALA 111 CO -0.00 -2.01 1.26 -0.35 0.00 0.00 0.00 175.76 174.66 2k4w n PRO 112 N 4.21 0.86 0.00 0.00 -0.04 -1.19 -2.04 135.00 136.80 2k4w n PRO 112 Ca 0.02 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.62 2k4w n PRO 112 Cb 0.41 -1.18 0.54 0.00 -0.04 0.00 0.00 33.50 33.23 2k4w n PRO 112 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2k4w n ARG 113 N -0.68 0.67 -4.43 0.54 0.63 -1.26 -4.77 116.66 107.36 2k4w n ARG 113 Ca 0.07 -0.28 -0.22 0.00 -0.92 0.00 0.00 57.85 56.51 2k4w n ARG 113 Cb 0.03 -1.49 -0.10 0.00 0.45 0.00 0.00 32.46 31.35 2k4w n ARG 113 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2k4w s LEU 114 N -2.52 2.58 0.00 6.15 2.01 -1.22 -5.09 118.68 120.60 2k4w s LEU 114 Ca 0.27 -1.05 0.00 0.00 0.01 0.00 0.00 54.13 53.35 2k4w s LEU 114 Cb 0.20 -0.91 0.00 0.00 0.01 0.00 0.00 46.19 45.49 2k4w s LEU 114 CO 0.49 -0.09 0.00 0.29 1.01 0.00 0.00 176.35 178.06 2k4w n LYS 115 N -0.55 0.00 -4.22 1.70 4.01 -1.26 -3.96 118.16 113.88 2k4w n LYS 115 Ca -0.06 0.00 -0.20 0.00 -0.51 0.00 0.00 58.31 57.54 2k4w n LYS 115 Cb 0.61 -0.13 -0.16 0.00 -0.51 0.00 0.00 35.03 34.83 2k4w n LYS 115 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 2k4w s SER 116 N 0.00 1.00 0.46 4.39 0.01 -1.26 -4.52 113.70 113.78 2k4w s SER 116 Ca 0.00 -0.15 0.22 0.00 1.31 0.00 0.00 55.95 57.34 2k4w s SER 116 Cb 0.00 -0.47 1.13 0.00 0.21 0.00 0.00 66.02 66.88 2k4w s SER 116 CO 0.00 -0.04 1.95 0.25 0.41 0.00 0.00 173.24 175.82 2k4w h LEU 117 N 7.09 0.00 -2.05 2.44 6.46 -1.97 0.03 115.31 127.30 2k4w h LEU 117 Ca -0.37 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.39 2k4w h LEU 117 Cb 1.16 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.09 2k4w h LEU 117 CO 0.48 0.21 0.25 0.44 -0.62 0.00 0.00 178.44 179.20 2k4w h ASP 118 N 0.00 0.00 0.97 1.25 3.32 -1.98 -1.28 116.42 118.70 2k4w h ASP 118 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2k4w h ASP 118 Cb 0.50 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.05 2k4w h ASP 118 CO 0.03 0.00 0.00 -0.62 -1.72 0.00 0.00 179.24 176.93 2k4w n GLU 119 N -2.81 0.17 0.00 3.56 1.02 -0.00 -3.85 120.64 118.72 2k4w n GLU 119 Ca -0.02 0.28 0.00 0.00 -0.02 0.00 0.00 57.16 57.40 2k4w n GLU 119 Cb 0.30 -1.76 0.00 0.00 -0.02 0.00 0.00 31.44 29.96 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 -2.07 0.15 0.25 2.62 0.24 -0.50 -4.90 118.33 114.13 2k4w n VAL 120 Ca 0.04 -0.39 0.00 0.00 -2.04 0.00 0.00 64.34 61.95 2k4w n VAL 120 Cb 0.30 1.21 0.02 0.00 -1.47 0.00 0.00 33.84 33.90 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 -0.07 0.13 -0.38 7.34 2.85 -1.11 -2.94 118.16 123.97 2k4w n LYS 121 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2k4w n LYS 121 Cb 0.15 -1.06 0.00 0.00 -0.65 0.00 0.00 35.03 33.47 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 -0.56 0.00 -4.12 -5.58 2.03 -1.26 -4.74 116.55 102.31 2k4w n ASP 122 Ca 0.00 -1.51 -0.11 0.00 0.52 0.00 0.00 54.79 53.70 2k4w n ASP 122 Cb 0.00 -0.10 -0.08 0.00 -0.72 0.00 0.00 41.12 40.22 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 1.31 -0.12 -0.67 1.02 -1.15 -4.03 119.74 116.09 2k4w s LYS 123 Ca 0.00 -1.48 -0.07 0.00 0.02 0.00 0.00 55.97 54.44 2k4w s LYS 123 Cb 0.00 0.34 -0.04 0.00 -0.52 0.00 0.00 37.83 37.61 2k4w s LYS 123 CO 0.00 -0.47 0.14 0.00 -0.92 0.00 0.00 175.35 174.10 2k4w s ALA 124 N -4.10 3.87 0.36 5.17 0.00 0.05 -2.42 121.76 124.68 2k4w s ALA 124 Ca 0.32 -0.64 -0.23 0.00 0.00 0.00 0.00 51.96 51.41 2k4w s ALA 124 Cb 0.04 -1.98 -0.10 0.00 0.00 0.00 0.00 23.12 21.08 2k4w s ALA 124 CO 0.10 0.60 0.93 -0.51 0.00 0.00 0.00 175.76 176.88 2k4w s LEU 125 N -0.97 4.17 -0.03 0.00 1.43 -0.07 -1.84 118.68 121.38 2k4w s LEU 125 Ca 0.15 1.74 -0.00 0.00 -1.03 0.00 0.00 54.13 54.99 2k4w s LEU 125 Cb -0.12 -4.21 0.03 0.00 0.03 0.00 0.00 46.19 41.92 2k4w s LEU 125 CO 0.04 -0.19 0.03 -0.04 0.23 0.00 0.00 176.35 176.42 2k4w s MET 126 N -2.53 0.10 -0.42 1.70 -1.94 -0.24 -1.55 119.30 114.42 2k4w s MET 126 Ca 0.55 0.19 -0.23 0.00 -1.71 0.00 0.00 55.69 54.50 2k4w s MET 126 Cb -0.14 -0.43 0.02 0.00 2.01 0.00 0.00 34.83 36.28 2k4w s MET 126 CO 0.19 -0.21 0.76 0.42 -0.01 0.00 0.00 175.02 176.18 2k4w s ILE 127 N 1.38 4.70 0.10 2.53 1.01 0.23 -1.22 121.20 129.94 2k4w s ILE 127 Ca -0.05 0.54 -0.02 0.00 0.00 0.00 0.00 60.65 61.12 2k4w s ILE 127 Cb -0.13 -4.26 -0.05 0.00 0.01 0.00 0.00 42.46 38.03 2k4w s ILE 127 CO -0.03 -0.60 0.29 -1.00 0.00 0.00 0.00 174.94 173.60 2k4w s HIS 128 N 3.16 3.50 0.08 3.97 3.76 0.22 -0.53 115.29 129.45 2k4w s HIS 128 Ca 0.29 0.38 -0.20 0.00 -0.15 0.00 0.00 55.06 55.39 2k4w s HIS 128 Cb -0.13 -1.87 -0.10 0.00 1.11 0.00 0.00 32.58 31.60 2k4w s HIS 128 CO 0.20 0.51 1.54 0.28 -0.85 0.00 0.00 174.74 176.43 2k4w h VAL 129 N 2.03 1.23 -3.35 -0.90 2.07 -0.85 -3.09 116.25 113.39 2k4w h VAL 129 Ca -0.46 -0.75 -0.56 0.00 0.82 0.00 0.00 66.70 65.75 2k4w h VAL 129 Cb 1.16 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 32.23 2k4w h VAL 129 CO 0.74 0.23 0.05 -0.83 0.02 0.00 0.00 177.57 177.78 2k4w s GLY 130 N -2.96 2.76 0.44 2.17 0.00 -1.17 -4.48 107.32 104.09 2k4w s GLY 130 Ca -0.14 0.16 -0.25 0.00 0.00 0.00 0.00 44.72 44.49 2k4w s GLY 130 CO 0.72 0.64 1.27 0.61 0.00 0.00 0.00 173.10 176.34 2k4w n GLY 131 N 1.72 0.54 3.55 0.20 0.00 -1.26 -1.48 105.19 108.47 2k4w n GLY 131 Ca -0.08 0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.59 6.26 0.00 1.61 -1.08 -1.26 -3.70 116.67 117.91 2k4w s ASP 132 Ca 0.63 -0.77 0.00 0.00 -0.52 0.00 0.00 52.55 51.89 2k4w s ASP 132 Cb -0.49 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.41 2k4w s ASP 132 CO 0.57 -1.73 0.00 -3.20 0.52 0.00 0.00 175.17 171.33 2k4w n ASN 133 N 9.17 0.00 -4.72 -0.34 2.85 -1.26 -4.81 115.26 116.15 2k4w n ASN 133 Ca 0.12 0.00 -0.42 0.00 -0.11 0.00 0.00 54.58 54.17 2k4w n ASN 133 Cb 0.49 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.49 2k4w n ASN 133 CO 0.00 0.00 0.00 -0.04 -2.11 0.00 0.00 177.26 175.11 2k4w s MET 134 N -0.72 4.15 0.00 1.20 -1.94 -1.24 -4.18 119.30 116.57 2k4w s MET 134 Ca 0.00 2.53 0.00 0.00 -1.71 0.00 0.00 55.69 56.51 2k4w s MET 134 Cb 0.00 -3.09 0.00 0.00 2.01 0.00 0.00 34.83 33.75 2k4w s MET 134 CO 0.00 -0.70 0.00 0.45 -0.01 0.00 0.00 175.02 174.76 2k4w n SER 135 N 3.82 0.00 0.00 3.03 2.88 -1.26 -3.71 113.62 118.38 2k4w n SER 135 Ca 0.15 -0.94 0.00 0.00 -1.33 0.00 0.00 58.87 56.75 2k4w n SER 135 Cb 0.36 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.82 2k4w n SER 135 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2k4w n ASP 136 N -1.14 0.00 -4.60 -3.46 2.03 -1.26 -4.74 116.55 103.38 2k4w n ASP 136 Ca 0.00 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 54.97 2k4w n ASP 136 Cb 0.00 0.00 0.11 0.00 -0.72 0.00 0.00 41.12 40.51 2k4w n ASP 136 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k4w n GLN 137 N 0.00 0.19 0.00 -0.67 3.00 -1.26 -4.91 117.38 113.72 2k4w n GLN 137 Ca 0.00 0.13 0.08 0.00 -0.01 0.00 0.00 57.00 57.20 2k4w n GLN 137 Cb 0.00 -2.21 0.41 0.00 0.00 0.00 0.00 30.24 28.44 2k4w n GLN 137 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 2k4w n PRO 138 N -2.38 0.21 -5.13 -1.09 -0.04 -1.26 -4.59 135.00 120.71 2k4w n PRO 138 Ca 0.12 0.14 -0.29 0.00 -0.04 0.00 0.00 63.50 63.43 2k4w n PRO 138 Cb 0.51 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.31 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 -2.62 1.99 0.45 0.54 1.02 -1.26 -5.06 119.74 114.80 2k4w s LYS 139 Ca 0.15 -0.81 -0.24 0.00 0.02 0.00 0.00 55.97 55.08 2k4w s LYS 139 Cb 0.11 -1.84 -0.08 0.00 -0.52 0.00 0.00 37.83 35.50 2k4w s LYS 139 CO 0.26 0.44 1.28 -1.25 -0.92 0.00 0.00 175.35 175.16 2k4w s PRO 140 N -0.40 3.74 -1.54 -1.68 0.04 -1.26 -1.87 135.00 132.03 2k4w s PRO 140 Ca 0.05 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.17 2k4w s PRO 140 Cb -0.10 -2.56 0.00 0.00 0.04 0.00 0.00 34.50 31.87 2k4w s PRO 140 CO 0.00 -0.65 0.00 1.28 0.04 0.00 0.00 177.00 177.67 2k4w n LEU 141 N -0.27 -1.62 0.00 -3.56 7.99 -1.24 -1.50 117.00 116.80 2k4w n LEU 141 Ca 0.06 0.09 0.00 0.00 -0.01 0.00 0.00 56.01 56.15 2k4w n LEU 141 Cb 0.45 -2.64 0.00 0.00 -0.11 0.00 0.00 43.42 41.12 2k4w n LEU 141 CO 0.53 -0.24 0.00 0.61 -1.51 0.00 0.00 177.39 176.78 2k4w n GLY 142 N -0.90 0.65 0.00 -0.72 0.00 -0.78 -1.06 105.19 102.38 2k4w n GLY 142 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.97 1.62 0.95 -0.02 0.00 -0.56 -4.78 105.19 100.42 2k4w n GLY 143 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.35 1.21 0.27 -0.02 0.00 -0.22 -4.12 105.19 101.96 2k4w n GLY 144 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.19 2k4w n GLY 144 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2k4w h GLY 145 N 3.27 0.00 -1.66 -0.02 0.00 -1.80 -3.09 103.07 99.76 2k4w h GLY 145 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.79 2k4w h GLY 145 CO 0.00 0.00 0.36 -0.51 0.00 0.00 0.00 176.54 176.39 2k4w s THR 146 N -3.62 2.12 0.26 4.70 -4.23 -1.26 -4.85 115.64 108.76 2k4w s THR 146 Ca 0.02 0.05 0.09 0.00 -1.18 0.00 0.00 61.69 60.67 2k4w s THR 146 Cb 0.08 -2.52 -0.04 0.00 1.34 0.00 0.00 72.50 71.36 2k4w s THR 146 CO 0.56 -0.04 0.03 -0.13 -0.54 0.00 0.00 174.62 174.50 2k4w s ARG 147 N -4.07 2.42 -0.12 3.99 1.81 -1.26 -0.44 118.95 121.28 2k4w s ARG 147 Ca 0.74 -1.33 0.12 0.00 -1.72 0.00 0.00 55.73 53.53 2k4w s ARG 147 Cb -0.29 -2.25 -0.16 0.00 -0.45 0.00 0.00 34.95 31.80 2k4w s ARG 147 CO 0.49 0.38 0.06 0.98 -0.68 0.00 0.00 175.30 176.52 2k4w n TYR 148 N -0.90 0.00 -3.65 -0.53 9.36 0.32 -4.72 117.16 117.03 2k4w n TYR 148 Ca -0.07 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.03 2k4w n TYR 148 Cb 0.59 -0.62 -0.06 0.00 -0.63 0.00 0.00 39.34 38.62 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 -2.35 -0.99 0.05 2.98 0.00 -1.07 -3.78 121.76 116.61 2k4w s ALA 149 Ca -0.06 0.20 0.02 0.00 0.00 0.00 0.00 51.96 52.12 2k4w s ALA 149 Cb 0.04 0.46 -0.03 0.00 0.00 0.00 0.00 23.12 23.60 2k4w s ALA 149 CO 0.53 -0.52 -0.08 0.00 0.00 0.00 0.00 175.76 175.69 2k4w s GLY 151 N -1.83 -0.48 -0.09 0.00 0.00 -0.59 -0.87 107.32 103.46 2k4w s GLY 151 Ca -0.06 1.86 -0.25 0.00 0.00 0.00 0.00 44.72 46.27 2k4w s GLY 151 CO -0.00 2.40 0.78 0.14 0.00 0.00 0.00 173.10 176.42 2k4w s VAL 152 N 2.25 4.97 -0.10 1.40 1.01 -1.26 -0.89 120.40 127.78 2k4w s VAL 152 Ca -0.06 1.60 -0.30 0.00 0.00 0.00 0.00 61.98 63.22 2k4w s VAL 152 Cb -0.10 -4.11 -0.02 0.00 0.00 0.00 0.00 36.38 32.15 2k4w s VAL 152 CO -0.15 0.16 1.04 -0.63 0.00 0.00 0.00 175.10 175.52 2k4w s ILE 153 N 1.27 4.68 -2.00 2.22 1.01 -1.02 -4.74 121.20 122.63 2k4w s ILE 153 Ca 0.40 1.96 0.30 0.00 0.00 0.00 0.00 60.65 63.30 2k4w s ILE 153 Cb -0.18 -4.26 0.84 0.00 0.01 0.00 0.00 42.46 38.88 2k4w s ILE 153 CO 0.18 0.00 2.10 0.29 0.00 0.00 0.00 174.94 177.52