#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 -0.42 -0.14 0.00 0.01 -1.26 -3.59 113.70 108.31 2k4w s SER 2 Ca 0.00 0.29 -0.04 0.00 1.31 0.00 0.00 55.95 57.51 2k4w s SER 2 Cb 0.00 0.45 0.07 0.00 0.21 0.00 0.00 66.02 66.75 2k4w s SER 2 CO 0.00 -0.61 0.20 -0.70 0.41 0.00 0.00 173.24 172.54 2k4w s GLU 3 N -1.77 0.11 -1.20 12.44 2.56 0.42 -5.00 118.70 126.26 2k4w s GLU 3 Ca -0.09 0.45 -0.20 0.00 0.00 0.00 0.00 54.97 55.13 2k4w s GLU 3 Cb -0.02 -0.61 0.05 0.00 2.00 0.00 0.00 34.13 35.55 2k4w s GLU 3 CO 0.03 -0.44 1.69 0.21 -0.56 0.00 0.00 175.26 176.19 2k4w s LYS 4 N 2.32 3.71 -0.40 4.30 2.20 -1.26 -0.78 119.74 129.83 2k4w s LYS 4 Ca 0.04 -1.64 -0.29 0.00 -0.36 0.00 0.00 55.97 53.72 2k4w s LYS 4 Cb -0.13 -5.45 0.01 0.00 -1.51 0.00 0.00 37.83 30.74 2k4w s LYS 4 CO -0.09 -2.43 1.36 0.14 -0.36 0.00 0.00 175.35 173.97 2k4w s VAL 5 N 5.19 3.98 -0.55 4.02 -7.23 0.03 -4.85 120.40 121.01 2k4w s VAL 5 Ca 0.54 1.03 -0.26 0.00 -1.81 0.00 0.00 61.98 61.47 2k4w s VAL 5 Cb 0.02 -4.25 -0.04 0.00 0.56 0.00 0.00 36.38 32.67 2k4w s VAL 5 CO 0.03 -0.74 2.09 -0.83 -0.31 0.00 0.00 175.10 175.35 2k4w s GLY 6 N 3.54 -0.05 -0.02 2.32 0.00 -1.26 -0.80 107.32 111.05 2k4w s GLY 6 Ca 0.59 -0.32 -0.30 0.00 0.00 0.00 0.00 44.72 44.68 2k4w s GLY 6 CO 0.31 3.72 1.31 1.06 0.00 0.00 0.00 173.10 179.50 2k4w s MET 7 N 7.50 4.32 0.13 2.90 -1.94 -0.36 -4.64 119.30 127.21 2k4w s MET 7 Ca 0.81 1.83 0.03 0.00 -1.71 0.00 0.00 55.69 56.65 2k4w s MET 7 Cb -0.15 -3.55 -0.04 0.00 2.01 0.00 0.00 34.83 33.10 2k4w s MET 7 CO 0.23 -0.50 0.22 -0.80 -0.01 0.00 0.00 175.02 174.17 2k4w s ASN 8 N 1.65 6.11 0.46 3.03 -0.87 -0.93 -1.96 114.94 122.43 2k4w s ASN 8 Ca 0.60 0.11 -0.24 0.00 -1.57 0.00 0.00 52.86 51.76 2k4w s ASN 8 Cb -0.29 -1.79 -0.08 0.00 -0.02 0.00 0.00 41.25 39.08 2k4w s ASN 8 CO 0.25 0.09 1.34 0.18 -2.57 0.00 0.00 177.10 176.39 2k4w n LEU 9 N -0.27 4.74 -4.12 0.60 4.77 0.45 -1.31 117.00 121.86 2k4w n LEU 9 Ca -0.07 1.08 -0.10 0.00 -0.03 0.00 0.00 56.01 56.89 2k4w n LEU 9 Cb 0.53 -1.55 -0.09 0.00 -2.33 0.00 0.00 43.42 39.98 2k4w n LEU 9 CO 0.48 -0.48 -0.23 0.68 -1.33 0.00 0.00 177.39 176.51 2k4w s VAL 10 N -1.22 0.08 0.00 4.08 -7.23 0.33 -0.59 120.40 115.85 2k4w s VAL 10 Ca 0.64 -1.82 0.00 0.00 -1.81 0.00 0.00 61.98 58.98 2k4w s VAL 10 Cb -0.46 -2.08 0.00 0.00 0.56 0.00 0.00 36.38 34.40 2k4w s VAL 10 CO 0.56 -0.36 0.00 1.07 -0.31 0.00 0.00 175.10 176.06 2k4w n THR 11 N -0.15 0.00 0.31 5.32 5.66 -1.21 -4.38 114.28 119.83 2k4w n THR 11 Ca -0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.95 2k4w n THR 11 Cb 0.64 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.42 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 -3.00 1.52 0.11 1.79 0.00 -1.26 -1.47 120.51 118.20 2k4w n ALA 12 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 2k4w n ALA 12 Cb 0.00 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.43 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 -0.11 4.50 0.00 0.00 3.00 -1.26 -4.28 117.38 119.23 2k4w n GLN 13 Ca 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 2k4w n GLN 13 Cb 0.02 -0.75 0.00 0.00 0.00 0.00 0.00 30.24 29.51 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 1.38 0.08 3.70 1.08 0.00 -0.54 -4.86 105.19 106.03 2k4w n GLY 14 Ca 0.00 -1.32 -0.42 0.00 0.00 0.00 0.00 46.02 44.28 2k4w n GLY 14 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k4w s VAL 15 N 0.00 2.64 0.00 1.61 1.01 -1.26 -3.31 120.40 121.08 2k4w s VAL 15 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.21 2k4w s VAL 15 Cb 0.00 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.23 2k4w s VAL 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.71 2k4w n GLY 16 N 4.07 2.04 3.78 4.51 0.00 0.24 -5.00 105.19 114.82 2k4w n GLY 16 Ca 0.16 -0.53 -0.37 0.00 0.00 0.00 0.00 46.02 45.28 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 4.32 4.06 0.13 1.61 0.74 -1.26 -4.74 119.66 124.51 2k4w s GLN 17 Ca 0.00 1.64 -0.30 0.00 0.05 0.00 0.00 55.36 56.74 2k4w s GLN 17 Cb 0.00 -2.55 -0.07 0.00 1.10 0.00 0.00 33.01 31.50 2k4w s GLN 17 CO 0.00 -0.26 1.13 0.45 -0.55 0.00 0.00 175.29 176.06 2k4w s SER 18 N -1.43 7.20 -0.04 6.67 0.15 -1.26 -0.41 113.70 124.57 2k4w s SER 18 Ca 0.59 2.05 0.01 0.00 0.70 0.00 0.00 55.95 59.30 2k4w s SER 18 Cb -0.25 -2.59 -0.04 0.00 -1.71 0.00 0.00 66.02 61.43 2k4w s SER 18 CO 0.31 -0.31 -0.03 0.00 1.20 0.00 0.00 173.24 174.42 2k4w n ILE 19 N 2.96 0.27 -3.78 6.45 3.06 -0.83 -4.91 119.36 122.58 2k4w n ILE 19 Ca 0.05 -0.12 -0.05 0.00 -2.50 0.00 0.00 62.75 60.13 2k4w n ILE 19 Cb 0.46 -0.74 0.02 0.00 0.54 0.00 0.00 39.64 39.93 2k4w n ILE 19 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2k4w n GLY 20 N 3.13 0.88 3.43 4.50 0.00 -1.09 -4.39 105.19 111.65 2k4w n GLY 20 Ca -0.08 -1.18 -0.21 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.15 0.99 -0.08 2.61 -4.23 -1.26 -1.22 115.64 110.29 2k4w s THR 21 Ca 0.17 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.73 2k4w s THR 21 Cb -0.03 -2.70 -0.00 0.00 1.34 0.00 0.00 72.50 71.10 2k4w s THR 21 CO 0.08 0.00 -0.24 -0.69 -0.54 0.00 0.00 174.62 173.23 2k4w s VAL 22 N -3.38 2.00 -0.05 2.29 1.01 0.02 -3.42 120.40 118.86 2k4w s VAL 22 Ca 0.35 -1.00 -0.26 0.00 0.00 0.00 0.00 61.98 61.07 2k4w s VAL 22 Cb 0.08 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 2k4w s VAL 22 CO 0.15 0.55 0.81 0.68 0.00 0.00 0.00 175.10 177.29 2k4w s VAL 23 N 0.17 4.97 -0.19 2.92 -7.23 -0.50 -0.79 120.40 119.76 2k4w s VAL 23 Ca -0.13 1.69 -0.05 0.00 -1.81 0.00 0.00 61.98 61.68 2k4w s VAL 23 Cb -0.16 -4.15 -0.03 0.00 0.56 0.00 0.00 36.38 32.60 2k4w s VAL 23 CO 0.07 0.20 -0.00 -0.63 -0.31 0.00 0.00 175.10 174.42 2k4w s ILE 24 N 0.98 3.97 -0.05 -0.62 1.01 0.04 -0.51 121.20 126.01 2k4w s ILE 24 Ca 0.43 -0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.77 2k4w s ILE 24 Cb -0.19 -2.79 0.02 0.00 0.01 0.00 0.00 42.46 39.52 2k4w s ILE 24 CO 0.21 0.44 -0.03 -0.62 0.00 0.00 0.00 174.94 174.94 2k4w s ASP 25 N 0.88 1.12 0.17 3.58 2.15 -0.72 -0.43 116.67 123.42 2k4w s ASP 25 Ca 0.01 -0.12 -0.22 0.00 0.43 0.00 0.00 52.55 52.65 2k4w s ASP 25 Cb -0.14 -0.45 -0.08 0.00 -0.30 0.00 0.00 42.92 41.95 2k4w s ASP 25 CO 0.02 -0.09 0.71 -1.83 -0.17 0.00 0.00 175.17 173.81 2k4w s GLU 26 N 1.21 4.37 0.24 4.34 -1.05 -1.24 -0.34 118.70 126.24 2k4w s GLU 26 Ca -0.06 0.96 -0.02 0.00 -0.15 0.00 0.00 54.97 55.69 2k4w s GLU 26 Cb -0.14 -3.11 0.01 0.00 -0.44 0.00 0.00 34.13 30.46 2k4w s GLU 26 CO -0.02 0.52 0.35 -2.37 0.95 0.00 0.00 175.26 174.69 2k4w n THR 27 N 1.27 0.00 0.67 1.83 5.66 0.08 -4.84 114.28 118.96 2k4w n THR 27 Ca -0.05 -1.18 0.12 0.00 -3.05 0.00 0.00 64.05 59.89 2k4w n THR 27 Cb 0.50 0.75 0.47 0.00 -1.55 0.00 0.00 70.33 70.49 2k4w n THR 27 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 2k4w n GLU 28 N -0.39 0.10 -0.05 1.09 2.13 -1.26 -0.51 120.64 121.75 2k4w n GLU 28 Ca -0.00 0.19 0.06 0.00 0.66 0.00 0.00 57.16 58.07 2k4w n GLU 28 Cb 0.40 -1.64 0.28 0.00 0.27 0.00 0.00 31.44 30.75 2k4w n GLU 28 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2k4w n GLY 29 N 0.79 -0.48 6.78 8.31 0.00 -1.26 -4.95 105.19 114.38 2k4w n GLY 29 Ca 0.05 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 0.81 -0.07 3.60 -0.02 0.00 0.34 -1.63 105.19 108.22 2k4w n GLY 30 Ca 0.10 -1.06 -0.43 0.00 0.00 0.00 0.00 46.02 44.63 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 3.56 -0.55 0.99 1.43 -1.00 -0.74 118.68 122.37 2k4w s LEU 31 Ca 0.00 0.81 -0.27 0.00 -1.03 0.00 0.00 54.13 53.65 2k4w s LEU 31 Cb 0.00 -3.49 0.03 0.00 0.03 0.00 0.00 46.19 42.77 2k4w s LEU 31 CO 0.00 -1.50 1.07 -0.75 0.23 0.00 0.00 176.35 175.40 2k4w s LYS 32 N 5.09 3.47 -0.46 1.70 2.20 0.54 -1.29 119.74 130.98 2k4w s LYS 32 Ca 0.62 0.08 -0.25 0.00 -0.36 0.00 0.00 55.97 56.06 2k4w s LYS 32 Cb -0.14 -4.01 0.03 0.00 -1.51 0.00 0.00 37.83 32.19 2k4w s LYS 32 CO 0.32 -1.54 0.89 0.12 -0.36 0.00 0.00 175.35 174.78 2k4w s PHE 33 N 4.44 2.94 -0.42 4.03 5.36 0.50 -1.75 117.98 133.07 2k4w s PHE 33 Ca 0.38 0.34 -0.01 0.00 -0.96 0.00 0.00 56.93 56.68 2k4w s PHE 33 Cb -0.09 -3.90 0.11 0.00 -0.34 0.00 0.00 43.02 38.80 2k4w s PHE 33 CO 0.24 -1.07 0.20 0.99 -1.46 0.00 0.00 175.22 174.12 2k4w s THR 34 N 3.64 3.11 0.39 0.12 2.01 0.33 -1.45 115.64 123.80 2k4w s THR 34 Ca 0.35 -2.24 -0.12 0.00 0.31 0.00 0.00 61.69 59.99 2k4w s THR 34 Cb -0.11 -3.15 -0.07 0.00 0.01 0.00 0.00 72.50 69.18 2k4w s THR 34 CO 0.25 -0.70 0.77 -2.16 -0.69 0.00 0.00 174.62 172.10 2k4w s PRO 35 N 0.93 3.85 -0.31 4.92 0.04 -1.26 -1.40 135.00 141.77 2k4w s PRO 35 Ca 0.10 0.55 0.17 0.00 0.04 0.00 0.00 61.00 61.86 2k4w s PRO 35 Cb -0.22 -2.39 0.45 0.00 0.04 0.00 0.00 34.50 32.39 2k4w s PRO 35 CO -0.05 0.00 1.32 -2.39 0.04 0.00 0.00 177.00 175.93 2k4w n HIS 36 N -1.07 -0.55 -3.53 0.56 1.44 -1.22 -4.30 115.22 106.54 2k4w n HIS 36 Ca 0.03 -1.97 -0.32 0.00 -2.01 0.00 0.00 57.72 53.45 2k4w n HIS 36 Cb 0.54 0.72 -0.05 0.00 0.12 0.00 0.00 29.99 31.32 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 -3.88 4.24 -0.26 2.39 1.02 -1.23 -4.61 118.68 116.34 2k4w s LEU 37 Ca 0.18 0.79 0.22 0.00 0.02 0.00 0.00 54.13 55.34 2k4w s LEU 37 Cb 0.39 -3.42 0.51 0.00 0.02 0.00 0.00 46.19 43.69 2k4w s LEU 37 CO -0.08 0.02 1.11 2.29 0.02 0.00 0.00 176.35 179.71 2k4w n LYS 38 N 0.16 1.82 -2.60 1.70 2.85 -1.26 -1.36 118.16 119.47 2k4w n LYS 38 Ca -0.02 -3.54 -0.05 0.00 -1.05 0.00 0.00 58.31 53.65 2k4w n LYS 38 Cb 0.52 -1.64 0.05 0.00 -0.65 0.00 0.00 35.03 33.31 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 -0.59 -0.54 -2.43 0.58 0.00 -0.68 -4.85 120.51 112.00 2k4w n ALA 39 Ca 0.09 -0.78 -0.22 0.00 0.00 0.00 0.00 53.44 52.54 2k4w n ALA 39 Cb 0.81 -0.96 -0.10 0.00 0.00 0.00 0.00 19.45 19.20 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 -2.58 2.58 0.23 0.00 1.02 -1.08 -5.08 118.68 113.78 2k4w s LEU 40 Ca 0.11 -1.06 -0.32 0.00 0.02 0.00 0.00 54.13 52.88 2k4w s LEU 40 Cb 0.22 -0.88 -0.12 0.00 0.02 0.00 0.00 46.19 45.43 2k4w s LEU 40 CO -0.05 -0.10 1.70 -2.16 0.02 0.00 0.00 176.35 175.75 2k4w s PRO 41 N -3.59 4.12 -0.24 1.29 0.04 -1.26 -4.36 135.00 130.99 2k4w s PRO 41 Ca 0.27 2.60 0.02 0.00 0.04 0.00 0.00 61.00 63.94 2k4w s PRO 41 Cb -0.02 -3.06 0.34 0.00 0.04 0.00 0.00 34.50 31.80 2k4w s PRO 41 CO 0.12 -0.73 1.52 -0.35 0.04 0.00 0.00 177.00 177.60 2k4w n PRO 42 N 3.60 1.67 -4.49 0.56 -0.04 -1.26 -4.77 135.00 130.27 2k4w n PRO 42 Ca 0.14 -1.58 -0.26 0.00 -0.04 0.00 0.00 63.50 61.76 2k4w n PRO 42 Cb 0.36 -1.62 -0.10 0.00 -0.04 0.00 0.00 33.50 32.10 2k4w n PRO 42 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2k4w s GLY 43 N -0.19 2.27 0.42 0.55 0.00 -1.24 -3.31 107.32 105.81 2k4w s GLY 43 Ca 0.30 -2.13 -0.25 0.00 0.00 0.00 0.00 44.72 42.64 2k4w s GLY 43 CO 0.05 -2.02 1.25 -1.83 0.00 0.00 0.00 173.10 170.55 2k4w s GLU 44 N -3.68 3.92 0.08 2.90 -1.05 -1.26 -3.77 118.70 115.84 2k4w s GLU 44 Ca 0.34 2.01 0.06 0.00 -0.15 0.00 0.00 54.97 57.23 2k4w s GLU 44 Cb 0.04 -2.66 -0.03 0.00 -0.44 0.00 0.00 34.13 31.04 2k4w s GLU 44 CO 0.18 -0.49 -0.15 -1.01 0.95 0.00 0.00 175.26 174.74 2k4w s HIS 45 N -1.35 1.33 0.99 4.83 3.76 -0.54 -4.08 115.29 120.23 2k4w s HIS 45 Ca 0.59 -0.47 -0.11 0.00 -0.15 0.00 0.00 55.06 54.91 2k4w s HIS 45 Cb -0.35 -0.73 0.19 0.00 1.11 0.00 0.00 32.58 32.80 2k4w s HIS 45 CO 0.44 0.09 1.10 0.20 -0.85 0.00 0.00 174.74 175.72 2k4w s GLY 46 N -1.89 1.63 -0.05 -2.22 0.00 -0.48 0.20 107.32 104.51 2k4w s GLY 46 Ca 0.01 0.29 -0.02 0.00 0.00 0.00 0.00 44.72 44.99 2k4w s GLY 46 CO 0.03 0.81 0.08 -0.12 0.00 0.00 0.00 173.10 173.90 2k4w s PHE 47 N -2.62 0.01 0.04 1.90 5.36 -1.26 -1.17 117.98 120.24 2k4w s PHE 47 Ca 0.67 0.33 0.03 0.00 -0.96 0.00 0.00 56.93 57.00 2k4w s PHE 47 Cb -0.23 -0.43 -0.02 0.00 -0.34 0.00 0.00 43.02 41.99 2k4w s PHE 47 CO 0.60 -0.21 -0.09 -1.01 -1.46 0.00 0.00 175.22 173.05 2k4w s HIS 48 N 2.20 0.78 -0.06 10.12 3.76 -1.20 -1.90 115.29 128.98 2k4w s HIS 48 Ca 0.05 -0.46 -0.14 0.00 -0.15 0.00 0.00 55.06 54.36 2k4w s HIS 48 Cb -0.12 -0.46 -0.05 0.00 1.11 0.00 0.00 32.58 33.06 2k4w s HIS 48 CO -0.04 -0.05 0.37 0.42 -0.85 0.00 0.00 174.74 174.59 2k4w s ILE 49 N -1.25 5.15 -0.03 0.60 1.01 -0.13 -2.56 121.20 123.99 2k4w s ILE 49 Ca -0.07 0.74 0.02 0.00 0.00 0.00 0.00 60.65 61.34 2k4w s ILE 49 Cb -0.09 -3.68 0.01 0.00 0.01 0.00 0.00 42.46 38.70 2k4w s ILE 49 CO 0.01 0.51 -0.08 -1.00 0.00 0.00 0.00 174.94 174.38 2k4w s HIS 50 N -0.52 0.90 0.58 3.97 3.76 -0.74 -3.25 115.29 119.99 2k4w s HIS 50 Ca 0.22 -0.24 0.30 0.00 -0.15 0.00 0.00 55.06 55.18 2k4w s HIS 50 Cb -0.15 -0.68 1.81 0.00 1.11 0.00 0.00 32.58 34.66 2k4w s HIS 50 CO 0.10 -0.13 2.25 0.00 -0.85 0.00 0.00 174.74 176.10 2k4w h ALA 51 N 6.64 1.50 -3.48 -1.40 0.00 -0.69 -2.82 119.26 119.00 2k4w h ALA 51 Ca -0.34 -0.01 -0.67 0.00 0.00 0.00 0.00 54.91 53.89 2k4w h ALA 51 Cb 1.17 -0.00 -0.19 0.00 0.00 0.00 0.00 17.79 18.76 2k4w h ALA 51 CO 0.48 0.01 -0.83 -0.80 0.00 0.00 0.00 179.25 178.12 2k4w s ASN 52 N -6.15 3.53 -1.59 0.00 0.01 0.12 -4.74 114.94 106.13 2k4w s ASN 52 Ca -0.05 -0.76 -0.10 0.00 -0.71 0.00 0.00 52.86 51.24 2k4w s ASN 52 Cb 0.15 -0.33 -0.09 0.00 0.41 0.00 0.00 41.25 41.39 2k4w s ASN 52 CO 0.55 0.15 2.98 0.61 -1.51 0.00 0.00 177.10 179.88 2k4w n GLY 53 N 0.52 4.22 2.43 0.66 0.00 -1.15 -2.79 105.19 109.08 2k4w n GLY 53 Ca -0.15 -1.49 -0.15 0.00 0.00 0.00 0.00 46.02 44.23 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 3.55 -0.80 -0.83 1.61 7.64 -1.26 -4.88 113.62 118.65 2k4w n SER 54 Ca 0.78 -3.18 0.00 0.00 1.01 0.00 0.00 58.87 57.48 2k4w n SER 54 Cb 0.25 0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.92 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 0.15 4.77 0.11 0.00 1.11 -1.26 -4.26 119.66 120.28 2k4w s GLN 56 Ca 0.00 1.59 -0.16 0.00 0.01 0.00 0.00 55.36 56.80 2k4w s GLN 56 Cb 0.00 -3.27 -0.07 0.00 -1.01 0.00 0.00 33.01 28.67 2k4w s GLN 56 CO 0.00 0.37 0.54 -1.25 0.01 0.00 0.00 175.29 174.96 2k4w s PRO 57 N -1.07 4.03 0.01 2.91 0.04 -1.26 -2.03 135.00 137.63 2k4w s PRO 57 Ca 0.43 0.55 -0.30 0.00 0.04 0.00 0.00 61.00 61.72 2k4w s PRO 57 Cb -0.28 -3.04 -0.04 0.00 0.04 0.00 0.00 34.50 31.19 2k4w s PRO 57 CO 0.34 0.54 1.10 0.00 0.04 0.00 0.00 177.00 179.03 2k4w s ALA 58 N -1.34 3.33 -0.09 8.56 0.00 -1.19 -4.75 121.76 126.29 2k4w s ALA 58 Ca 0.34 0.66 -0.30 0.00 0.00 0.00 0.00 51.96 52.67 2k4w s ALA 58 Cb -0.16 -3.42 -0.02 0.00 0.00 0.00 0.00 23.12 19.52 2k4w s ALA 58 CO 0.19 -0.43 1.03 0.42 0.00 0.00 0.00 175.76 176.97 2k4w s ILE 59 N 1.30 4.73 -0.29 0.00 -1.09 -1.26 -0.43 121.20 124.16 2k4w s ILE 59 Ca 0.55 1.99 -0.15 0.00 -2.23 0.00 0.00 60.65 60.81 2k4w s ILE 59 Cb -0.25 -4.28 0.13 0.00 -1.58 0.00 0.00 42.46 36.48 2k4w s ILE 59 CO 0.27 0.02 0.87 -0.75 -1.23 0.00 0.00 174.94 174.12 2k4w s LYS 60 N 1.91 0.48 -1.19 2.79 2.20 -0.50 -4.99 119.74 120.44 2k4w s LYS 60 Ca 0.50 0.88 -0.03 0.00 -0.36 0.00 0.00 55.97 56.96 2k4w s LYS 60 Cb -0.19 0.19 -0.02 0.00 -1.51 0.00 0.00 37.83 36.30 2k4w s LYS 60 CO 0.20 -0.11 0.89 -3.47 -0.36 0.00 0.00 175.35 172.50 2k4w n ASP 61 N 4.15 -3.05 -0.17 1.43 2.03 -1.26 -2.83 116.55 116.85 2k4w n ASP 61 Ca -0.17 -0.72 -0.02 0.00 0.52 0.00 0.00 54.79 54.40 2k4w n ASP 61 Cb 0.57 -4.76 -0.01 0.00 -0.72 0.00 0.00 41.12 36.20 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 -1.30 0.50 0.00 0.27 0.00 -1.26 -4.91 105.19 98.49 2k4w n GLY 62 Ca -0.23 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.85 0.00 -3.69 1.61 10.64 -1.13 -5.20 117.38 117.75 2k4w n GLN 63 Ca -0.02 0.00 -0.14 0.00 -1.83 0.00 0.00 57.00 55.01 2k4w n GLN 63 Cb 0.21 0.00 -0.09 0.00 -0.86 0.00 0.00 30.24 29.50 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 -1.05 -1.17 -0.77 2.61 0.00 -1.26 -1.41 121.76 118.71 2k4w s ALA 64 Ca 0.00 1.04 -0.26 0.00 0.00 0.00 0.00 51.96 52.74 2k4w s ALA 64 Cb 0.00 -0.39 0.04 0.00 0.00 0.00 0.00 23.12 22.76 2k4w s ALA 64 CO 0.00 -0.26 1.27 0.08 0.00 0.00 0.00 175.76 176.85 2k4w s VAL 65 N -0.47 3.81 -0.93 0.00 1.01 0.43 -4.64 120.40 119.61 2k4w s VAL 65 Ca -0.06 0.19 -0.26 0.00 0.00 0.00 0.00 61.98 61.85 2k4w s VAL 65 Cb -0.03 -4.91 -0.22 0.00 0.00 0.00 0.00 36.38 31.21 2k4w s VAL 65 CO 0.03 -1.83 2.55 0.00 0.00 0.00 0.00 175.10 175.85 2k4w n ALA 66 N 9.15 0.52 -2.43 5.51 0.00 -1.26 -2.06 120.51 129.93 2k4w n ALA 66 Ca 0.06 -0.51 -0.19 0.00 0.00 0.00 0.00 53.44 52.81 2k4w n ALA 66 Cb 0.49 -2.44 -0.00 0.00 0.00 0.00 0.00 19.45 17.50 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 10.39 -0.59 0.10 0.00 0.00 -1.25 -4.71 120.51 124.46 2k4w n ALA 67 Ca 0.62 0.16 0.03 0.00 0.00 0.00 0.00 53.44 54.25 2k4w n ALA 67 Cb 0.13 -2.21 0.40 0.00 0.00 0.00 0.00 19.45 17.76 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 -0.17 0.28 0.00 0.00 4.81 -1.28 -3.15 114.58 115.07 2k4w h GLU 68 Ca -0.44 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 2k4w h GLU 68 Cb 1.32 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.66 2k4w h GLU 68 CO 0.52 0.37 0.00 0.00 -0.73 0.00 0.00 179.01 179.17 2k4w h ALA 69 N 1.66 1.00 0.00 2.92 0.00 -1.55 -1.21 119.26 122.08 2k4w h ALA 69 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2k4w h ALA 69 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2k4w h ALA 69 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.26 2k4w n ALA 70 N -1.83 1.90 0.00 0.00 0.00 -0.12 -4.60 120.51 115.86 2k4w n ALA 70 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2k4w n ALA 70 Cb 0.09 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.31 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 -0.09 -2.07 0.00 0.00 0.00 -0.46 -0.70 105.19 101.88 2k4w n GLY 71 Ca 0.08 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.04 -0.64 1.65 -0.02 0.00 -1.26 -4.64 105.19 100.23 2k4w n GLY 72 Ca 0.00 -1.72 -0.00 0.00 0.00 0.00 0.00 46.02 44.30 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 -1.31 0.00 -3.65 1.61 8.25 -1.26 -2.53 115.22 116.33 2k4w n HIS 73 Ca 0.00 -0.71 -0.29 0.00 -0.26 0.00 0.00 57.72 56.46 2k4w n HIS 73 Cb 0.00 -0.43 0.04 0.00 1.12 0.00 0.00 29.99 30.72 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 1.65 -3.03 -2.54 2.41 7.94 -1.20 -1.95 117.00 120.28 2k4w n LEU 74 Ca 0.00 -0.95 -0.26 0.00 -1.11 0.00 0.00 56.01 53.70 2k4w n LEU 74 Cb 0.35 -2.39 -0.00 0.00 0.53 0.00 0.00 43.42 41.91 2k4w n LEU 74 CO 0.00 0.36 0.16 -0.90 -1.11 0.00 0.00 177.39 175.90 2k4w n ASP 75 N -2.60 4.42 0.25 1.96 5.68 -1.26 -4.24 116.55 120.76 2k4w n ASP 75 Ca -0.10 -3.64 0.17 0.00 -0.50 0.00 0.00 54.79 50.72 2k4w n ASP 75 Cb 0.59 -0.48 0.69 0.00 -1.14 0.00 0.00 41.12 40.79 2k4w n ASP 75 CO 0.00 0.00 0.00 1.55 -1.33 0.00 0.00 177.20 177.42 2k4w h PRO 76 N 2.65 0.00 0.00 0.11 0.13 -1.95 -3.36 132.00 129.58 2k4w h PRO 76 Ca 0.25 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.28 2k4w h PRO 76 Cb 0.90 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.93 2k4w h PRO 76 CO 0.82 0.00 -0.21 0.00 -0.23 0.00 0.00 178.00 178.37 2k4w n GLN 77 N -2.92 0.18 -0.04 0.86 10.64 -1.26 -5.06 117.38 119.79 2k4w n GLN 77 Ca 0.01 -0.78 -0.06 0.00 -1.83 0.00 0.00 57.00 54.34 2k4w n GLN 77 Cb 0.27 0.47 -0.02 0.00 -0.86 0.00 0.00 30.24 30.10 2k4w n GLN 77 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 2k4w n ASN 78 N -0.21 1.58 0.00 2.61 4.13 -1.26 -5.14 115.26 116.98 2k4w n ASN 78 Ca -0.20 0.25 0.00 0.00 1.68 0.00 0.00 54.58 56.32 2k4w n ASN 78 Cb 0.62 -0.59 0.00 0.00 -1.54 0.00 0.00 39.78 38.27 2k4w n ASN 78 CO 0.00 0.00 0.00 1.07 0.28 0.00 0.00 177.26 178.61 2k4w n THR 79 N -4.06 0.00 -0.04 3.41 5.66 -1.26 -5.01 114.28 112.98 2k4w n THR 79 Ca -0.09 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.81 2k4w n THR 79 Cb 0.32 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 68.96 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 -0.60 -0.95 3.14 1.09 0.00 -1.26 -4.94 105.19 101.67 2k4w n GLY 80 Ca 0.00 -0.13 -0.20 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.00 -0.30 -4.45 1.61 2.85 -1.26 -4.98 118.16 108.63 2k4w n LYS 81 Ca -0.23 -2.05 -0.22 0.00 -1.05 0.00 0.00 58.31 54.77 2k4w n LYS 81 Cb 1.08 -0.71 -0.10 0.00 -0.65 0.00 0.00 35.03 34.65 2k4w n LYS 81 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 2k4w s HIS 82 N -2.73 2.02 0.00 5.58 5.65 -1.18 -4.17 115.29 120.46 2k4w s HIS 82 Ca 0.56 -0.67 0.00 0.00 0.25 0.00 0.00 55.06 55.20 2k4w s HIS 82 Cb -0.03 -1.16 0.00 0.00 -1.18 0.00 0.00 32.58 30.22 2k4w s HIS 82 CO 0.38 0.32 0.00 -0.85 -0.65 0.00 0.00 174.74 173.94 2k4w n GLU 83 N -0.62 2.91 0.00 2.88 0.28 -1.26 -3.23 120.64 121.60 2k4w n GLU 83 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.95 2k4w n GLU 83 Cb 0.63 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.50 2k4w n GLU 83 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2k4w n GLY 84 N 5.00 0.38 0.24 -1.84 0.00 -1.26 -4.38 105.19 103.33 2k4w n GLY 84 Ca 0.00 -0.95 0.03 0.00 0.00 0.00 0.00 46.02 45.10 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 0.24 -0.02 1.61 0.13 -1.91 -2.79 132.00 129.26 2k4w h PRO 85 Ca 0.00 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2k4w h PRO 85 Cb 0.00 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.10 2k4w h PRO 85 CO 0.00 0.37 -0.09 0.39 -0.23 0.00 0.00 178.00 178.44 2k4w n GLU 86 N -4.29 1.52 0.00 0.86 -0.58 -1.26 -4.98 120.64 111.92 2k4w n GLU 86 Ca -0.01 -0.98 0.00 0.00 -0.42 0.00 0.00 57.16 55.75 2k4w n GLU 86 Cb 0.26 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.65 2k4w n GLU 86 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k4w n GLY 87 N 1.26 1.26 1.93 0.62 0.00 -1.06 -4.86 105.19 104.35 2k4w n GLY 87 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 2k4w n GLY 87 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2k4w n GLN 88 N -1.85 1.75 0.00 1.61 -0.06 -1.20 -4.62 117.38 113.01 2k4w n GLN 88 Ca 0.00 -1.12 0.00 0.00 -2.00 0.00 0.00 57.00 53.88 2k4w n GLN 88 Cb 0.00 -1.66 0.00 0.00 -4.06 0.00 0.00 30.24 24.52 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 1.40 5.29 3.47 1.69 0.00 -1.24 -3.12 105.19 112.68 2k4w n GLY 89 Ca 0.29 -1.44 -0.27 0.00 0.00 0.00 0.00 46.02 44.61 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 1.87 2.41 0.29 1.61 0.09 -1.26 -4.74 115.29 115.56 2k4w s HIS 90 Ca 0.00 -0.31 0.18 0.00 -0.00 0.00 0.00 55.06 54.93 2k4w s HIS 90 Cb 0.00 -1.18 0.84 0.00 -0.00 0.00 0.00 32.58 32.24 2k4w s HIS 90 CO 0.00 0.51 1.83 1.37 -0.00 0.00 0.00 174.74 178.45 2k4w h LEU 91 N 3.07 0.00 -1.96 0.89 8.10 -1.75 -2.94 115.31 120.73 2k4w h LEU 91 Ca -0.46 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.50 2k4w h LEU 91 Cb 1.21 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.41 2k4w h LEU 91 CO 0.50 0.33 0.03 0.61 -4.11 0.00 0.00 178.44 175.81 2k4w n GLY 92 N -0.18 2.11 3.81 0.17 0.00 -0.82 -4.77 105.19 105.51 2k4w n GLY 92 Ca -0.01 -0.31 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 2k4w n GLY 92 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k4w s ASP 93 N -0.17 6.48 0.18 1.61 1.01 -1.11 -0.95 116.67 123.72 2k4w s ASP 93 Ca 0.18 0.57 0.01 0.00 0.71 0.00 0.00 52.55 54.01 2k4w s ASP 93 Cb 0.14 -2.15 -0.04 0.00 1.01 0.00 0.00 42.92 41.88 2k4w s ASP 93 CO 0.05 0.28 0.04 -0.76 0.21 0.00 0.00 175.17 174.99 2k4w s LEU 94 N -0.46 1.88 0.56 1.23 1.02 -0.80 -4.95 118.68 117.17 2k4w s LEU 94 Ca 0.17 -1.23 -0.08 0.00 0.02 0.00 0.00 54.13 53.01 2k4w s LEU 94 Cb -0.13 0.09 -0.03 0.00 0.02 0.00 0.00 46.19 46.14 2k4w s LEU 94 CO 0.05 -0.66 0.91 -2.16 0.02 0.00 0.00 176.35 174.52 2k4w s PRO 95 N -3.99 3.41 0.23 1.29 0.04 -1.26 -4.26 135.00 130.46 2k4w s PRO 95 Ca 0.27 0.38 -0.30 0.00 0.04 0.00 0.00 61.00 61.39 2k4w s PRO 95 Cb 0.07 -2.23 -0.10 0.00 0.04 0.00 0.00 34.50 32.28 2k4w s PRO 95 CO 0.05 -0.47 1.47 0.14 0.04 0.00 0.00 177.00 178.23 2k4w s VAL 96 N -2.98 2.66 -1.06 -0.36 -7.23 -1.26 -4.35 120.40 105.82 2k4w s VAL 96 Ca 0.52 0.54 -0.22 0.00 -1.81 0.00 0.00 61.98 61.00 2k4w s VAL 96 Cb -0.11 -3.34 0.01 0.00 0.56 0.00 0.00 36.38 33.50 2k4w s VAL 96 CO 0.49 0.08 1.70 -0.22 -0.31 0.00 0.00 175.10 176.83 2k4w s LEU 97 N -0.02 3.41 0.23 1.32 1.98 0.13 -4.85 118.68 120.89 2k4w s LEU 97 Ca 0.62 -1.44 -0.31 0.00 -2.89 0.00 0.00 54.13 50.11 2k4w s LEU 97 Cb -0.42 -2.57 -0.11 0.00 0.66 0.00 0.00 46.19 43.75 2k4w s LEU 97 CO 0.40 -1.98 1.56 -0.69 -1.89 0.00 0.00 176.35 173.75 2k4w s VAL 98 N 7.00 2.39 -0.04 1.68 1.01 -1.26 -1.47 120.40 129.70 2k4w s VAL 98 Ca 0.57 0.31 0.06 0.00 0.00 0.00 0.00 61.98 62.92 2k4w s VAL 98 Cb -0.01 -3.20 -0.01 0.00 0.00 0.00 0.00 36.38 33.16 2k4w s VAL 98 CO -0.01 0.04 -0.23 -0.69 0.00 0.00 0.00 175.10 174.20 2k4w s VAL 99 N 0.47 1.88 0.55 2.92 1.01 -1.25 -3.97 120.40 122.01 2k4w s VAL 99 Ca 0.65 -0.98 -0.06 0.00 0.00 0.00 0.00 61.98 61.60 2k4w s VAL 99 Cb -0.45 -1.58 -0.01 0.00 0.00 0.00 0.00 36.38 34.34 2k4w s VAL 99 CO 0.40 0.53 0.86 0.54 0.00 0.00 0.00 175.10 177.43 2k4w s ASN 100 N -0.22 5.85 0.63 3.32 2.20 -0.93 -3.70 114.94 122.09 2k4w s ASN 100 Ca -0.00 0.81 0.19 0.00 -0.94 0.00 0.00 52.86 52.91 2k4w s ASN 100 Cb -0.12 -1.91 0.84 0.00 -2.00 0.00 0.00 41.25 38.06 2k4w s ASN 100 CO 0.02 -0.89 1.42 -0.55 -2.94 0.00 0.00 177.10 174.16 2k4w h ASN 101 N -0.04 0.00 0.36 3.54 -0.00 -1.90 -1.10 115.58 116.44 2k4w h ASN 101 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.84 2k4w h ASN 101 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.56 2k4w h ASN 101 CO 0.61 0.00 -0.41 -0.67 -0.00 0.00 0.00 177.43 176.96 2k4w n ASP 102 N -3.00 0.78 -0.01 6.14 2.03 -1.26 -4.83 116.55 116.40 2k4w n ASP 102 Ca 0.08 -0.58 0.00 0.00 0.52 0.00 0.00 54.79 54.81 2k4w n ASP 102 Cb 0.98 0.23 0.00 0.00 -0.72 0.00 0.00 41.12 41.61 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 1.27 3.16 0.27 0.00 -0.42 -4.95 105.19 105.95 2k4w n GLY 103 Ca 0.09 -0.39 -0.28 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 -2.02 1.61 -0.10 -0.61 1.01 -1.25 -1.69 121.20 118.14 2k4w s ILE 104 Ca 0.00 -0.80 -0.04 0.00 0.00 0.00 0.00 60.65 59.82 2k4w s ILE 104 Cb 0.00 -1.39 -0.04 0.00 0.01 0.00 0.00 42.46 41.05 2k4w s ILE 104 CO 0.00 0.46 0.05 0.00 0.00 0.00 0.00 174.94 175.45 2k4w s ALA 105 N 0.15 3.47 0.00 9.38 0.00 -0.47 -2.20 121.76 132.09 2k4w s ALA 105 Ca -0.08 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.13 2k4w s ALA 105 Cb -0.14 -1.66 0.00 0.00 0.00 0.00 0.00 23.12 21.32 2k4w s ALA 105 CO 0.04 0.56 0.00 -2.37 0.00 0.00 0.00 175.76 173.99 2k4w n THR 106 N 2.23 0.00 -2.04 0.00 5.66 -1.25 -3.52 114.28 115.36 2k4w n THR 106 Ca -0.19 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.39 2k4w n THR 106 Cb 0.54 0.37 -0.03 0.00 -1.55 0.00 0.00 70.33 69.66 2k4w n THR 106 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 2k4w s GLU 107 N 0.00 4.02 -1.19 1.09 0.41 -1.26 -4.61 118.70 117.15 2k4w s GLU 107 Ca 0.00 1.99 -0.20 0.00 -0.41 0.00 0.00 54.97 56.35 2k4w s GLU 107 Cb 0.00 -4.01 -0.04 0.00 -1.78 0.00 0.00 34.13 28.30 2k4w s GLU 107 CO 0.00 -1.04 1.89 -0.35 -0.49 0.00 0.00 175.26 175.27 2k4w n PRO 108 N 7.35 2.21 -2.09 0.39 -0.04 -1.26 -4.28 135.00 137.28 2k4w n PRO 108 Ca 0.18 -2.67 -0.36 0.00 -0.04 0.00 0.00 63.50 60.61 2k4w n PRO 108 Cb 0.44 -3.52 0.02 0.00 -0.04 0.00 0.00 33.50 30.39 2k4w n PRO 108 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2k4w s VAL 109 N 7.45 2.77 -0.02 0.52 1.01 -0.53 -4.88 120.40 126.72 2k4w s VAL 109 Ca 0.61 0.51 0.04 0.00 0.00 0.00 0.00 61.98 63.14 2k4w s VAL 109 Cb 0.04 -3.23 -0.01 0.00 0.00 0.00 0.00 36.38 33.18 2k4w s VAL 109 CO 0.10 -0.07 -0.15 -0.89 0.00 0.00 0.00 175.10 174.09 2k4w s THR 110 N -1.58 1.19 -0.33 3.92 2.01 -1.26 -0.37 115.64 119.22 2k4w s THR 110 Ca 0.73 -0.63 0.02 0.00 0.31 0.00 0.00 61.69 62.11 2k4w s THR 110 Cb -0.30 -1.00 0.10 0.00 0.01 0.00 0.00 72.50 71.31 2k4w s THR 110 CO 0.34 0.34 0.07 0.00 -0.69 0.00 0.00 174.62 174.68 2k4w s ALA 111 N -0.27 2.36 -1.75 7.40 0.00 -0.41 -4.95 121.76 124.13 2k4w s ALA 111 Ca 0.04 -2.21 0.00 0.00 0.00 0.00 0.00 51.96 49.79 2k4w s ALA 111 Cb -0.07 -1.83 0.00 0.00 0.00 0.00 0.00 23.12 21.22 2k4w s ALA 111 CO -0.00 -1.69 0.71 -0.35 0.00 0.00 0.00 175.76 174.43 2k4w n PRO 112 N 4.46 0.82 0.14 0.00 -0.04 -0.64 -2.38 135.00 137.36 2k4w n PRO 112 Ca 0.02 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.50 2k4w n PRO 112 Cb 0.42 -1.10 0.39 0.00 -0.04 0.00 0.00 33.50 33.17 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 0.05 0.17 -6.75 0.54 2.47 -1.89 -3.43 114.38 105.53 2k4w h ARG 113 Ca 0.00 -0.04 -0.67 0.00 -1.26 0.00 0.00 59.98 58.00 2k4w h ARG 113 Cb 0.10 -0.02 -0.20 0.00 -1.65 0.00 0.00 29.97 28.20 2k4w h ARG 113 CO 0.00 0.36 -0.83 -0.51 0.56 0.00 0.00 179.97 179.55 2k4w s LEU 114 N -8.63 2.45 -0.01 3.04 2.01 -1.21 -5.00 118.68 111.34 2k4w s LEU 114 Ca -0.05 -0.76 0.01 0.00 0.01 0.00 0.00 54.13 53.34 2k4w s LEU 114 Cb 0.15 -1.27 0.01 0.00 0.01 0.00 0.00 46.19 45.09 2k4w s LEU 114 CO 0.73 0.15 0.70 0.29 1.01 0.00 0.00 176.35 179.23 2k4w n LYS 115 N 0.60 0.62 -4.00 1.70 5.02 -1.26 -3.68 118.16 117.16 2k4w n LYS 115 Ca -0.15 -0.86 -0.09 0.00 -2.02 0.00 0.00 58.31 55.19 2k4w n LYS 115 Cb 0.54 -0.64 -0.06 0.00 -0.02 0.00 0.00 35.03 34.85 2k4w n LYS 115 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2k4w s SER 116 N -0.47 -0.06 -0.12 4.39 0.01 -1.26 -4.77 113.70 111.41 2k4w s SER 116 Ca 0.01 -0.94 -0.13 0.00 1.31 0.00 0.00 55.95 56.20 2k4w s SER 116 Cb 0.01 0.55 -0.26 0.00 0.21 0.00 0.00 66.02 66.53 2k4w s SER 116 CO 0.00 -1.07 0.44 0.25 0.41 0.00 0.00 173.24 173.27 2k4w h LEU 117 N 2.33 0.34 -2.17 2.44 5.85 -1.97 -3.38 115.31 118.75 2k4w h LEU 117 Ca -0.28 -0.83 0.00 0.00 0.84 0.00 0.00 57.88 57.61 2k4w h LEU 117 Cb 1.25 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.17 2k4w h LEU 117 CO 0.39 1.69 0.00 -2.24 -0.34 0.00 0.00 178.44 177.94 2k4w h ASP 118 N -0.27 0.00 0.64 1.25 3.04 -1.99 -0.88 116.42 118.20 2k4w h ASP 118 Ca -0.35 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.44 2k4w h ASP 118 Cb 1.80 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 40.09 2k4w h ASP 118 CO 0.03 0.00 0.00 1.05 -2.04 0.00 0.00 179.24 178.28 2k4w h GLU 119 N 0.00 0.00 0.00 4.15 4.11 -2.01 -3.02 114.58 117.81 2k4w h GLU 119 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 2k4w h GLU 119 Cb 0.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2k4w h GLU 119 CO 0.00 0.00 -0.23 1.33 0.07 0.00 0.00 179.01 180.18 2k4w n VAL 120 N -2.49 1.90 0.00 -1.06 0.24 -0.34 -4.87 118.33 111.71 2k4w n VAL 120 Ca 0.01 -2.53 0.00 0.00 -2.04 0.00 0.00 64.34 59.78 2k4w n VAL 120 Cb 0.21 -0.18 0.00 0.00 -1.47 0.00 0.00 33.84 32.39 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 -1.22 0.00 -2.68 7.34 2.85 -1.14 -3.22 118.16 120.09 2k4w n LYS 121 Ca 0.16 0.32 -0.09 0.00 -1.05 0.00 0.00 58.31 57.65 2k4w n LYS 121 Cb 0.67 -1.64 0.04 0.00 -0.65 0.00 0.00 35.03 33.46 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 -1.31 0.80 -3.92 -5.58 2.03 -1.26 -4.80 116.55 102.52 2k4w n ASP 122 Ca 0.00 -2.68 -0.10 0.00 0.52 0.00 0.00 54.79 52.53 2k4w n ASP 122 Cb 0.14 -0.24 -0.10 0.00 -0.72 0.00 0.00 41.12 40.19 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 -2.49 0.41 0.04 -0.67 -0.14 -1.20 -2.91 119.74 112.78 2k4w s LYS 123 Ca 0.26 -0.51 -0.20 0.00 -1.36 0.00 0.00 55.97 54.16 2k4w s LYS 123 Cb 0.45 0.16 -0.06 0.00 -1.68 0.00 0.00 37.83 36.70 2k4w s LYS 123 CO 0.01 -0.09 0.60 0.00 -0.76 0.00 0.00 175.35 175.11 2k4w s ALA 124 N -1.48 3.53 -0.26 5.17 0.00 -1.07 -0.96 121.76 126.70 2k4w s ALA 124 Ca -0.15 0.06 -0.13 0.00 0.00 0.00 0.00 51.96 51.74 2k4w s ALA 124 Cb -0.08 -2.71 -0.04 0.00 0.00 0.00 0.00 23.12 20.28 2k4w s ALA 124 CO 0.00 0.28 0.26 -0.51 0.00 0.00 0.00 175.76 175.79 2k4w s LEU 125 N -0.65 4.07 -0.13 0.00 2.01 -0.47 -1.80 118.68 121.71 2k4w s LEU 125 Ca 0.31 0.18 0.02 0.00 0.01 0.00 0.00 54.13 54.65 2k4w s LEU 125 Cb -0.19 -2.26 0.01 0.00 0.01 0.00 0.00 46.19 43.76 2k4w s LEU 125 CO 0.19 -0.06 -0.18 -0.04 1.01 0.00 0.00 176.35 177.26 2k4w s MET 126 N 1.60 2.61 -0.32 1.70 -1.94 -1.06 -0.81 119.30 121.08 2k4w s MET 126 Ca 0.11 -0.70 -0.29 0.00 -1.71 0.00 0.00 55.69 53.10 2k4w s MET 126 Cb -0.15 -2.19 0.01 0.00 2.01 0.00 0.00 34.83 34.51 2k4w s MET 126 CO 0.09 -0.07 1.24 0.42 -0.01 0.00 0.00 175.02 176.68 2k4w s ILE 127 N 0.99 4.22 -0.12 2.53 1.01 0.19 -3.26 121.20 126.76 2k4w s ILE 127 Ca -0.05 1.38 -0.06 0.00 0.00 0.00 0.00 60.65 61.92 2k4w s ILE 127 Cb -0.15 -4.26 -0.04 0.00 0.01 0.00 0.00 42.46 38.02 2k4w s ILE 127 CO -0.04 -0.54 0.08 -1.00 0.00 0.00 0.00 174.94 173.45 2k4w s HIS 128 N 4.25 3.39 0.13 3.97 3.76 -0.32 -0.53 115.29 129.95 2k4w s HIS 128 Ca 0.53 0.34 -0.17 0.00 -0.15 0.00 0.00 55.06 55.61 2k4w s HIS 128 Cb -0.15 -1.93 -0.02 0.00 1.11 0.00 0.00 32.58 31.60 2k4w s HIS 128 CO 0.22 0.53 1.71 0.28 -0.85 0.00 0.00 174.74 176.64 2k4w h VAL 129 N 4.22 1.16 -3.34 -0.90 2.07 -0.82 -1.79 116.25 116.85 2k4w h VAL 129 Ca -0.50 -0.46 -0.56 0.00 0.82 0.00 0.00 66.70 66.00 2k4w h VAL 129 Cb 1.20 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 31.73 2k4w h VAL 129 CO 0.60 0.17 0.03 -0.83 0.02 0.00 0.00 177.57 177.56 2k4w s GLY 130 N -2.78 2.63 0.76 2.17 0.00 -0.86 -4.64 107.32 104.61 2k4w s GLY 130 Ca -0.13 0.09 -0.15 0.00 0.00 0.00 0.00 44.72 44.52 2k4w s GLY 130 CO 0.73 0.91 1.03 0.61 0.00 0.00 0.00 173.10 176.39 2k4w n GLY 131 N 2.64 -0.34 1.83 0.20 0.00 -1.26 -1.38 105.19 106.88 2k4w n GLY 131 Ca -0.05 -0.40 -0.20 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.22 4.80 -1.08 1.61 -0.08 -1.26 -4.40 116.55 113.92 2k4w n ASP 132 Ca 0.13 -3.78 0.11 0.00 -1.51 0.00 0.00 54.79 49.74 2k4w n ASP 132 Cb 0.50 -0.61 0.21 0.00 2.34 0.00 0.00 41.12 43.56 2k4w n ASP 132 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 2k4w n ASN 133 N -0.91 3.38 -4.77 1.67 6.94 -1.26 -4.48 115.26 115.83 2k4w n ASN 133 Ca 0.46 -1.96 -0.36 0.00 -0.02 0.00 0.00 54.58 52.70 2k4w n ASN 133 Cb 0.93 -0.27 -0.07 0.00 -2.36 0.00 0.00 39.78 38.01 2k4w n ASN 133 CO 0.00 0.00 0.00 -0.32 -1.03 0.00 0.00 177.26 175.91 2k4w s MET 134 N -1.31 4.04 -0.03 -3.83 1.75 -1.26 -4.84 119.30 113.80 2k4w s MET 134 Ca 0.37 -0.04 -0.31 0.00 -1.25 0.00 0.00 55.69 54.46 2k4w s MET 134 Cb 0.21 -3.36 0.12 0.00 2.84 0.00 0.00 34.83 34.65 2k4w s MET 134 CO 0.29 0.41 1.32 -1.54 -0.65 0.00 0.00 175.02 174.85 2k4w s SER 135 N -0.00 -0.04 0.00 1.11 1.04 -1.26 -4.52 113.70 110.03 2k4w s SER 135 Ca 0.14 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.45 2k4w s SER 135 Cb -0.12 0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.12 2k4w s SER 135 CO 0.02 -0.23 0.00 -0.67 0.98 0.00 0.00 173.24 173.34 2k4w n ASP 136 N -0.56 -0.76 -3.70 7.02 -0.08 -1.26 -4.95 116.55 112.26 2k4w n ASP 136 Ca -0.07 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 53.10 2k4w n ASP 136 Cb 0.63 -0.30 -0.05 0.00 2.34 0.00 0.00 41.12 43.74 2k4w n ASP 136 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 2k4w s GLN 137 N -2.38 1.00 0.00 -0.67 1.11 -1.26 -5.01 119.66 112.45 2k4w s GLN 137 Ca 0.00 -0.76 0.08 0.00 0.01 0.00 0.00 55.36 54.69 2k4w s GLN 137 Cb 0.00 0.43 0.36 0.00 -1.01 0.00 0.00 33.01 32.79 2k4w s GLN 137 CO 0.00 -0.37 1.23 -0.35 0.01 0.00 0.00 175.29 175.81 2k4w n PRO 138 N -0.14 0.02 -4.79 2.91 -0.04 -1.26 -4.48 135.00 127.23 2k4w n PRO 138 Ca -0.16 0.33 -0.26 0.00 -0.04 0.00 0.00 63.50 63.38 2k4w n PRO 138 Cb 0.63 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.44 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 -2.92 1.46 0.28 0.54 1.02 -1.26 -5.12 119.74 113.75 2k4w s LYS 139 Ca 0.05 -0.80 -0.30 0.00 0.02 0.00 0.00 55.97 54.94 2k4w s LYS 139 Cb 0.05 -1.49 -0.11 0.00 -0.52 0.00 0.00 37.83 35.77 2k4w s LYS 139 CO 0.14 0.39 1.57 -1.25 -0.92 0.00 0.00 175.35 175.29 2k4w s PRO 140 N -0.79 4.15 -1.47 -1.68 0.04 -1.26 -2.01 135.00 131.97 2k4w s PRO 140 Ca 0.07 2.53 0.00 0.00 0.04 0.00 0.00 61.00 63.65 2k4w s PRO 140 Cb -0.08 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.42 2k4w s PRO 140 CO 0.00 -0.60 0.00 1.28 0.04 0.00 0.00 177.00 177.72 2k4w n LEU 141 N 2.27 -0.84 0.00 -3.56 4.77 -1.26 -1.94 117.00 116.43 2k4w n LEU 141 Ca 0.08 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 2k4w n LEU 141 Cb 0.38 -2.41 0.00 0.00 -2.33 0.00 0.00 43.42 39.06 2k4w n LEU 141 CO 0.63 -0.90 0.00 0.61 -1.33 0.00 0.00 177.39 176.41 2k4w n GLY 142 N -0.60 0.33 1.03 -0.72 0.00 -0.85 -1.67 105.19 102.70 2k4w n GLY 142 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2k4w n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4w n GLY 143 N -1.31 0.96 0.00 -0.02 0.00 -0.82 -4.96 105.19 99.04 2k4w n GLY 143 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.00 -0.62 0.00 -0.02 0.00 -0.67 -3.68 105.19 98.21 2k4w n GLY 144 Ca 0.00 -0.12 0.06 0.00 0.00 0.00 0.00 46.02 45.96 2k4w n GLY 144 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4w n GLY 145 N 0.23 -0.84 3.77 -0.02 0.00 -1.26 -2.03 105.19 105.05 2k4w n GLY 145 Ca 0.15 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 2k4w n GLY 145 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k4w s THR 146 N -2.00 3.40 -0.09 2.61 -4.23 -1.24 -4.88 115.64 109.22 2k4w s THR 146 Ca 0.17 0.46 0.01 0.00 -1.18 0.00 0.00 61.69 61.16 2k4w s THR 146 Cb 0.08 -2.97 -0.02 0.00 1.34 0.00 0.00 72.50 70.92 2k4w s THR 146 CO 0.13 -0.59 -0.11 -0.13 -0.54 0.00 0.00 174.62 173.38 2k4w s ARG 147 N -4.90 2.93 -0.10 3.99 3.00 -1.26 -0.35 118.95 122.25 2k4w s ARG 147 Ca 0.61 -0.64 0.01 0.00 0.00 0.00 0.00 55.73 55.71 2k4w s ARG 147 Cb -0.17 -2.55 -0.25 0.00 0.00 0.00 0.00 34.95 31.99 2k4w s ARG 147 CO 0.56 0.48 0.45 0.98 0.00 0.00 0.00 175.30 177.76 2k4w n TYR 148 N 2.76 1.09 -3.76 -0.53 9.36 0.31 -4.25 117.16 122.15 2k4w n TYR 148 Ca -0.18 0.29 -0.13 0.00 3.32 0.00 0.00 57.90 61.20 2k4w n TYR 148 Cb 0.53 -1.16 -0.09 0.00 -0.63 0.00 0.00 39.34 37.99 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 -2.57 -0.76 -0.06 2.98 0.00 -1.14 -0.51 121.76 119.70 2k4w s ALA 149 Ca -0.16 0.29 0.03 0.00 0.00 0.00 0.00 51.96 52.13 2k4w s ALA 149 Cb 0.07 0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.29 2k4w s ALA 149 CO 0.79 -0.26 -0.15 0.00 0.00 0.00 0.00 175.76 176.14 2k4w s GLY 151 N 0.46 1.61 0.05 0.00 0.00 0.01 -2.19 107.32 107.27 2k4w s GLY 151 Ca -0.12 -2.30 -0.31 0.00 0.00 0.00 0.00 44.72 41.99 2k4w s GLY 151 CO 0.04 1.32 1.56 0.14 0.00 0.00 0.00 173.10 176.16 2k4w s VAL 152 N 0.94 3.25 -0.07 1.40 1.01 -1.26 -1.37 120.40 124.31 2k4w s VAL 152 Ca 0.12 0.69 -0.31 0.00 0.00 0.00 0.00 61.98 62.49 2k4w s VAL 152 Cb -0.20 -3.44 -0.09 0.00 0.00 0.00 0.00 36.38 32.64 2k4w s VAL 152 CO -0.12 -0.00 2.02 -0.38 0.00 0.00 0.00 175.10 176.62 2k4w n ILE 153 N 4.68 0.61 0.73 2.22 5.41 -0.13 -4.83 119.36 128.04 2k4w n ILE 153 Ca 0.15 -0.21 0.06 0.00 1.00 0.00 0.00 62.75 63.75 2k4w n ILE 153 Cb 0.41 -2.23 0.35 0.00 -0.71 0.00 0.00 39.64 37.46 2k4w n ILE 153 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84