#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 -0.33 -0.20 0.00 0.01 -1.26 -1.15 113.70 110.76 2k4w s SER 2 Ca 0.00 0.16 -0.13 0.00 1.31 0.00 0.00 55.95 57.29 2k4w s SER 2 Cb 0.00 0.42 0.06 0.00 0.21 0.00 0.00 66.02 66.71 2k4w s SER 2 CO 0.00 -0.60 0.50 -0.70 0.41 0.00 0.00 173.24 172.85 2k4w s GLU 3 N -1.95 0.52 -0.18 12.44 2.56 0.50 -4.99 118.70 127.59 2k4w s GLU 3 Ca -0.08 0.88 -0.20 0.00 0.00 0.00 0.00 54.97 55.56 2k4w s GLU 3 Cb -0.02 0.09 -0.03 0.00 2.00 0.00 0.00 34.13 36.17 2k4w s GLU 3 CO 0.02 -0.14 0.59 -1.59 -0.56 0.00 0.00 175.26 173.58 2k4w s LYS 4 N 1.19 4.23 -0.46 4.30 -2.85 -1.26 -0.43 119.74 124.46 2k4w s LYS 4 Ca -0.07 0.56 -0.09 0.00 -1.00 0.00 0.00 55.97 55.36 2k4w s LYS 4 Cb -0.06 -3.55 0.11 0.00 -2.06 0.00 0.00 37.83 32.27 2k4w s LYS 4 CO -0.11 -0.15 0.32 0.08 0.10 0.00 0.00 175.35 175.59 2k4w s VAL 5 N 1.62 4.18 -0.38 1.79 1.01 0.54 -4.27 120.40 124.88 2k4w s VAL 5 Ca 0.28 -1.71 -0.28 0.00 0.00 0.00 0.00 61.98 60.26 2k4w s VAL 5 Cb -0.16 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 2k4w s VAL 5 CO 0.11 -0.72 1.64 -0.83 0.00 0.00 0.00 175.10 175.30 2k4w s GLY 6 N 2.53 0.89 0.28 4.51 0.00 -1.26 -0.69 107.32 113.58 2k4w s GLY 6 Ca 0.05 0.03 -0.14 0.00 0.00 0.00 0.00 44.72 44.67 2k4w s GLY 6 CO -0.00 3.06 0.68 1.06 0.00 0.00 0.00 173.10 177.90 2k4w s MET 7 N 5.43 3.97 0.05 2.90 -1.94 -1.19 -4.44 119.30 124.07 2k4w s MET 7 Ca 0.71 0.57 0.07 0.00 -1.71 0.00 0.00 55.69 55.33 2k4w s MET 7 Cb -0.18 -2.55 -0.03 0.00 2.01 0.00 0.00 34.83 34.09 2k4w s MET 7 CO 0.32 0.23 -0.20 1.21 -0.01 0.00 0.00 175.02 176.58 2k4w s ASN 8 N -2.22 2.34 0.36 3.03 3.84 0.66 -4.43 114.94 118.52 2k4w s ASN 8 Ca 0.51 -0.53 -0.28 0.00 0.21 0.00 0.00 52.86 52.76 2k4w s ASN 8 Cb -0.11 -0.18 -0.10 0.00 -0.55 0.00 0.00 41.25 40.31 2k4w s ASN 8 CO 0.19 0.12 1.36 -0.76 -2.79 0.00 0.00 177.10 175.22 2k4w s LEU 9 N -1.27 4.36 0.06 3.21 1.43 0.31 -1.17 118.68 125.61 2k4w s LEU 9 Ca 0.06 2.79 0.02 0.00 -1.03 0.00 0.00 54.13 55.98 2k4w s LEU 9 Cb -0.09 -3.70 -0.03 0.00 0.03 0.00 0.00 46.19 42.41 2k4w s LEU 9 CO 0.02 -0.69 -0.08 0.68 0.23 0.00 0.00 176.35 176.52 2k4w s VAL 10 N -1.15 0.60 0.00 -1.59 -7.23 -0.56 -0.91 120.40 109.56 2k4w s VAL 10 Ca 0.51 -1.31 0.00 0.00 -1.81 0.00 0.00 61.98 59.37 2k4w s VAL 10 Cb -0.41 -0.90 0.00 0.00 0.56 0.00 0.00 36.38 35.62 2k4w s VAL 10 CO 0.55 -0.51 0.00 1.07 -0.31 0.00 0.00 175.10 175.91 2k4w n THR 11 N 1.06 0.00 0.44 5.32 5.66 -1.21 -4.51 114.28 121.04 2k4w n THR 11 Ca -0.20 0.00 0.04 0.00 -3.05 0.00 0.00 64.05 60.84 2k4w n THR 11 Cb 0.56 0.00 0.21 0.00 -1.55 0.00 0.00 70.33 69.55 2k4w n THR 11 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2k4w n ALA 12 N -3.00 1.75 0.51 1.79 0.00 -1.26 -1.59 120.51 118.72 2k4w n ALA 12 Ca 0.00 -0.04 0.05 0.00 0.00 0.00 0.00 53.44 53.45 2k4w n ALA 12 Cb 0.00 -1.11 -0.06 0.00 0.00 0.00 0.00 19.45 18.27 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 -1.01 3.39 0.00 0.00 1.13 -1.26 -4.80 117.38 114.83 2k4w n GLN 13 Ca 0.05 -0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.11 2k4w n GLN 13 Cb 0.02 -1.01 0.00 0.00 0.11 0.00 0.00 30.24 29.36 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 1.26 -1.84 3.67 1.08 0.00 -0.62 -4.91 105.19 103.83 2k4w n GLY 14 Ca 0.02 -1.93 -0.46 0.00 0.00 0.00 0.00 46.02 43.64 2k4w n GLY 14 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2k4w n VAL 15 N 0.00 0.16 0.00 1.61 0.31 -1.26 -3.33 118.33 115.83 2k4w n VAL 15 Ca 0.00 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 2k4w n VAL 15 Cb 0.00 -1.67 0.00 0.00 -0.91 0.00 0.00 33.84 31.26 2k4w n VAL 15 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2k4w n GLY 16 N 3.72 -0.05 3.78 2.92 0.00 -0.09 -5.01 105.19 110.46 2k4w n GLY 16 Ca 0.18 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.13 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 1.74 0.24 1.61 -2.07 -1.26 -4.97 119.66 114.96 2k4w s GLN 17 Ca 0.00 -1.10 0.07 0.00 -1.82 0.00 0.00 55.36 52.51 2k4w s GLN 17 Cb 0.00 0.57 -0.04 0.00 -1.09 0.00 0.00 33.01 32.45 2k4w s GLN 17 CO 0.00 -0.78 0.18 0.45 -1.32 0.00 0.00 175.29 173.82 2k4w s SER 18 N -2.96 5.47 0.00 12.60 0.15 -1.26 -0.53 113.70 127.17 2k4w s SER 18 Ca 0.15 -0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.54 2k4w s SER 18 Cb -0.04 -1.38 0.00 0.00 -1.71 0.00 0.00 66.02 62.89 2k4w s SER 18 CO 0.08 -0.02 0.22 2.30 1.20 0.00 0.00 173.24 177.02 2k4w n ILE 19 N -1.08 0.00 0.00 6.45 -0.00 -1.26 -4.98 119.36 118.49 2k4w n ILE 19 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.67 2k4w n ILE 19 Cb 0.58 0.58 0.00 0.00 -0.00 0.00 0.00 39.64 40.79 2k4w n ILE 19 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2k4w n GLY 20 N 0.00 2.79 2.80 3.28 0.00 -1.26 -3.42 105.19 109.38 2k4w n GLY 20 Ca 0.00 -1.38 -0.22 0.00 0.00 0.00 0.00 46.02 44.42 2k4w n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k4w n THR 21 N -1.49 0.00 -4.61 2.61 -2.24 -1.26 -3.16 114.28 104.12 2k4w n THR 21 Ca 0.00 -1.73 -0.22 0.00 -2.27 0.00 0.00 64.05 59.83 2k4w n THR 21 Cb 0.00 0.12 -0.15 0.00 -2.10 0.00 0.00 70.33 68.20 2k4w n THR 21 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2k4w s VAL 22 N -2.22 1.08 -0.09 2.28 1.01 0.13 -3.28 120.40 119.31 2k4w s VAL 22 Ca 0.11 -0.56 -0.18 0.00 0.00 0.00 0.00 61.98 61.35 2k4w s VAL 22 Cb -0.01 -0.91 -0.05 0.00 0.00 0.00 0.00 36.38 35.41 2k4w s VAL 22 CO 0.07 0.31 0.48 0.54 0.00 0.00 0.00 175.10 176.50 2k4w s VAL 23 N -0.14 5.14 -0.15 2.92 0.11 -0.09 -0.34 120.40 127.85 2k4w s VAL 23 Ca 0.02 0.96 -0.04 0.00 -2.93 0.00 0.00 61.98 59.99 2k4w s VAL 23 Cb -0.07 -3.81 -0.03 0.00 -1.53 0.00 0.00 36.38 30.94 2k4w s VAL 23 CO 0.00 0.37 -0.01 -0.63 -3.33 0.00 0.00 175.10 171.50 2k4w s ILE 24 N 0.31 4.14 0.04 7.04 1.01 0.43 -0.69 121.20 133.48 2k4w s ILE 24 Ca 0.26 -0.28 0.06 0.00 0.00 0.00 0.00 60.65 60.70 2k4w s ILE 24 Cb -0.16 -2.81 -0.02 0.00 0.01 0.00 0.00 42.46 39.48 2k4w s ILE 24 CO 0.11 0.51 -0.18 -0.62 0.00 0.00 0.00 174.94 174.75 2k4w s ASP 25 N 0.15 2.19 -0.43 3.58 2.15 -0.51 -0.37 116.67 123.42 2k4w s ASP 25 Ca 0.00 -0.50 -0.14 0.00 0.43 0.00 0.00 52.55 52.34 2k4w s ASP 25 Cb -0.13 -0.17 0.05 0.00 -0.30 0.00 0.00 42.92 42.37 2k4w s ASP 25 CO 0.02 0.12 0.33 -0.70 -0.17 0.00 0.00 175.17 174.76 2k4w s GLU 26 N -1.16 2.91 0.37 4.34 -6.30 -0.30 -0.29 118.70 118.26 2k4w s GLU 26 Ca 0.05 -1.23 0.04 0.00 -2.50 0.00 0.00 54.97 51.33 2k4w s GLU 26 Cb -0.08 -3.99 -0.03 0.00 0.00 0.00 0.00 34.13 30.02 2k4w s GLU 26 CO 0.02 -0.89 0.12 0.95 0.02 0.00 0.00 175.26 175.47 2k4w s THR 27 N 1.62 0.67 -1.16 -1.70 -4.23 -0.52 -3.77 115.64 106.54 2k4w s THR 27 Ca 0.04 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 58.80 2k4w s THR 27 Cb -0.22 -2.47 0.29 0.00 1.34 0.00 0.00 72.50 71.44 2k4w s THR 27 CO 0.07 0.00 1.81 -1.84 -0.54 0.00 0.00 174.62 174.12 2k4w n GLU 28 N -0.80 0.13 -0.60 3.99 0.00 -1.26 -1.13 120.64 120.97 2k4w n GLU 28 Ca -0.04 0.07 0.10 0.00 0.00 0.00 0.00 57.16 57.28 2k4w n GLU 28 Cb 0.65 -1.50 0.36 0.00 0.00 0.00 0.00 31.44 30.95 2k4w n GLU 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2k4w n GLY 29 N 0.97 2.77 6.90 -1.84 0.00 -1.26 -5.04 105.19 107.70 2k4w n GLY 29 Ca 0.08 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.25 2k4w n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4w n GLY 30 N 1.12 -0.53 3.62 -0.02 0.00 -0.28 -2.14 105.19 106.96 2k4w n GLY 30 Ca 0.26 -1.15 -0.43 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.51 0.99 1.43 -0.02 -1.45 118.68 122.86 2k4w s LEU 31 Ca 0.00 1.43 -0.23 0.00 -1.03 0.00 0.00 54.13 54.31 2k4w s LEU 31 Cb 0.00 -3.53 0.04 0.00 0.03 0.00 0.00 46.19 42.73 2k4w s LEU 31 CO 0.00 -1.42 0.82 -0.75 0.23 0.00 0.00 176.35 175.23 2k4w s LYS 32 N 5.02 3.30 -0.31 1.70 2.20 0.60 -1.08 119.74 131.16 2k4w s LYS 32 Ca 0.73 -0.38 -0.18 0.00 -0.36 0.00 0.00 55.97 55.78 2k4w s LYS 32 Cb -0.23 -4.04 -0.01 0.00 -1.51 0.00 0.00 37.83 32.04 2k4w s LYS 32 CO 0.31 -1.33 0.53 0.12 -0.36 0.00 0.00 175.35 174.62 2k4w s PHE 33 N 3.45 3.21 -0.19 4.03 5.36 0.49 -1.43 117.98 132.91 2k4w s PHE 33 Ca 0.26 0.39 0.00 0.00 -0.96 0.00 0.00 56.93 56.63 2k4w s PHE 33 Cb -0.14 -2.86 0.04 0.00 -0.34 0.00 0.00 43.02 39.72 2k4w s PHE 33 CO 0.18 -0.44 -0.09 0.99 -1.46 0.00 0.00 175.22 174.40 2k4w s THR 34 N 2.40 1.48 0.51 0.12 2.01 0.13 -1.36 115.64 120.93 2k4w s THR 34 Ca 0.20 -0.88 -0.03 0.00 0.31 0.00 0.00 61.69 61.29 2k4w s THR 34 Cb -0.15 -1.58 -0.01 0.00 0.01 0.00 0.00 72.50 70.77 2k4w s THR 34 CO 0.12 0.16 0.79 -2.16 -0.69 0.00 0.00 174.62 172.84 2k4w s PRO 35 N 1.47 3.13 0.00 4.92 0.04 -1.26 -0.91 135.00 142.39 2k4w s PRO 35 Ca -0.00 -0.13 0.00 0.00 0.04 0.00 0.00 61.00 60.91 2k4w s PRO 35 Cb -0.16 -2.40 0.01 0.00 0.04 0.00 0.00 34.50 31.98 2k4w s PRO 35 CO -0.08 -0.41 0.72 -2.39 0.04 0.00 0.00 177.00 174.87 2k4w n HIS 36 N -2.31 0.00 -3.05 0.56 1.44 -1.20 -4.06 115.22 106.59 2k4w n HIS 36 Ca 0.02 -0.02 -0.36 0.00 -2.01 0.00 0.00 57.72 55.36 2k4w n HIS 36 Cb 0.57 0.13 -0.06 0.00 0.12 0.00 0.00 29.99 30.75 2k4w n HIS 36 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2k4w s LEU 37 N 0.00 4.30 -0.13 2.39 1.02 -1.24 -4.76 118.68 120.26 2k4w s LEU 37 Ca 0.01 1.47 0.19 0.00 0.02 0.00 0.00 54.13 55.81 2k4w s LEU 37 Cb 0.01 -3.73 0.31 0.00 0.02 0.00 0.00 46.19 42.80 2k4w s LEU 37 CO -0.00 -0.02 1.17 2.29 0.02 0.00 0.00 176.35 179.81 2k4w n LYS 38 N 0.55 1.44 -2.77 1.70 2.85 -1.22 -0.43 118.16 120.28 2k4w n LYS 38 Ca -0.01 -2.59 -0.09 0.00 -1.05 0.00 0.00 58.31 54.56 2k4w n LYS 38 Cb 0.51 -1.53 0.08 0.00 -0.65 0.00 0.00 35.03 33.44 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 -1.35 0.90 -2.23 0.58 0.00 -1.05 -4.68 120.51 112.68 2k4w n ALA 39 Ca 0.16 -1.86 -0.13 0.00 0.00 0.00 0.00 53.44 51.61 2k4w n ALA 39 Cb 0.66 -1.04 -0.10 0.00 0.00 0.00 0.00 19.45 18.97 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 -2.76 2.50 0.23 0.00 1.02 -1.04 -5.08 118.68 113.55 2k4w s LEU 40 Ca 0.25 -1.02 -0.31 0.00 0.02 0.00 0.00 54.13 53.07 2k4w s LEU 40 Cb 0.36 -0.25 -0.11 0.00 0.02 0.00 0.00 46.19 46.21 2k4w s LEU 40 CO -0.06 -0.39 1.58 -2.16 0.02 0.00 0.00 176.35 175.34 2k4w s PRO 41 N -3.78 4.18 -0.16 1.29 0.04 -1.26 -4.51 135.00 130.80 2k4w s PRO 41 Ca 0.16 2.46 0.04 0.00 0.04 0.00 0.00 61.00 63.70 2k4w s PRO 41 Cb 0.04 -3.09 0.34 0.00 0.04 0.00 0.00 34.50 31.82 2k4w s PRO 41 CO -0.01 -0.60 1.26 -0.35 0.04 0.00 0.00 177.00 177.34 2k4w n PRO 42 N 3.05 2.13 0.00 0.56 -0.04 -1.26 -4.83 135.00 134.60 2k4w n PRO 42 Ca 0.11 -1.40 0.00 0.00 -0.04 0.00 0.00 63.50 62.17 2k4w n PRO 42 Cb 0.38 -1.68 0.00 0.00 -0.04 0.00 0.00 33.50 32.16 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 -0.00 4.14 3.86 0.55 0.00 -1.26 -2.70 105.19 109.78 2k4w n GLY 43 Ca 0.20 -1.90 -0.34 0.00 0.00 0.00 0.00 46.02 43.98 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 2.58 3.88 -0.03 1.61 2.02 -1.26 -1.44 118.70 126.06 2k4w s GLU 44 Ca 0.00 0.36 -0.14 0.00 0.02 0.00 0.00 54.97 55.22 2k4w s GLU 44 Cb 0.00 -2.82 0.02 0.00 0.10 0.00 0.00 34.13 31.43 2k4w s GLU 44 CO 0.00 0.42 0.30 -1.01 0.02 0.00 0.00 175.26 175.00 2k4w s HIS 45 N -1.60 -0.20 0.70 1.61 3.76 0.10 -4.63 115.29 115.03 2k4w s HIS 45 Ca 0.41 0.35 -0.13 0.00 -0.15 0.00 0.00 55.06 55.54 2k4w s HIS 45 Cb -0.13 0.09 0.02 0.00 1.11 0.00 0.00 32.58 33.67 2k4w s HIS 45 CO 0.20 -0.34 1.11 0.20 -0.85 0.00 0.00 174.74 175.05 2k4w s GLY 46 N -1.06 2.00 -0.09 -2.22 0.00 0.60 0.06 107.32 106.61 2k4w s GLY 46 Ca -0.11 0.46 -0.04 0.00 0.00 0.00 0.00 44.72 45.04 2k4w s GLY 46 CO 0.03 0.82 0.19 -0.12 0.00 0.00 0.00 173.10 174.02 2k4w s PHE 47 N -2.51 -0.24 0.35 1.90 5.36 -1.26 -1.24 117.98 120.33 2k4w s PHE 47 Ca 0.65 0.69 0.04 0.00 -0.96 0.00 0.00 56.93 57.35 2k4w s PHE 47 Cb -0.20 -0.18 -0.06 0.00 -0.34 0.00 0.00 43.02 42.25 2k4w s PHE 47 CO 0.46 -0.28 0.06 -1.01 -1.46 0.00 0.00 175.22 172.99 2k4w s HIS 48 N 2.15 2.03 -0.06 10.12 3.76 -0.82 -4.03 115.29 128.44 2k4w s HIS 48 Ca 0.01 -0.94 -0.04 0.00 -0.15 0.00 0.00 55.06 53.94 2k4w s HIS 48 Cb -0.12 -1.35 -0.04 0.00 1.11 0.00 0.00 32.58 32.18 2k4w s HIS 48 CO -0.07 0.05 0.13 0.42 -0.85 0.00 0.00 174.74 174.42 2k4w s ILE 49 N -3.21 5.21 -0.00 0.60 1.01 -0.09 -1.07 121.20 123.64 2k4w s ILE 49 Ca 0.35 -0.08 0.04 0.00 0.00 0.00 0.00 60.65 60.96 2k4w s ILE 49 Cb 0.08 -3.34 -0.01 0.00 0.01 0.00 0.00 42.46 39.20 2k4w s ILE 49 CO 0.16 0.47 -0.14 -1.00 0.00 0.00 0.00 174.94 174.43 2k4w s HIS 50 N -1.14 1.23 0.54 3.97 3.76 -0.03 -4.50 115.29 119.12 2k4w s HIS 50 Ca 0.20 -0.25 0.21 0.00 -0.15 0.00 0.00 55.06 55.07 2k4w s HIS 50 Cb -0.12 -0.78 1.45 0.00 1.11 0.00 0.00 32.58 34.24 2k4w s HIS 50 CO 0.11 -0.01 2.16 0.00 -0.85 0.00 0.00 174.74 176.15 2k4w h ALA 51 N 5.64 1.91 -3.28 -1.40 0.00 0.10 -2.67 119.26 119.55 2k4w h ALA 51 Ca -0.35 -0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.07 2k4w h ALA 51 Cb 1.17 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 18.76 2k4w h ALA 51 CO 0.48 -0.08 -0.79 -0.80 0.00 0.00 0.00 179.25 178.06 2k4w s ASN 52 N -6.67 2.25 -1.32 0.00 0.01 -0.33 -4.70 114.94 104.19 2k4w s ASN 52 Ca -0.05 -0.74 -0.18 0.00 -0.71 0.00 0.00 52.86 51.19 2k4w s ASN 52 Cb 0.17 -0.11 0.06 0.00 0.41 0.00 0.00 41.25 41.78 2k4w s ASN 52 CO 0.64 -0.04 1.80 0.61 -1.51 0.00 0.00 177.10 178.60 2k4w n GLY 53 N 0.83 2.78 2.73 0.66 0.00 -0.31 -3.17 105.19 108.71 2k4w n GLY 53 Ca -0.18 -1.47 -0.06 0.00 0.00 0.00 0.00 46.02 44.31 2k4w n GLY 53 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2k4w n SER 54 N 8.22 -2.59 0.00 1.61 2.88 -1.26 -4.93 113.62 117.55 2k4w n SER 54 Ca 0.49 -2.76 0.01 0.00 -1.33 0.00 0.00 58.87 55.28 2k4w n SER 54 Cb 0.45 1.52 0.05 0.00 -0.75 0.00 0.00 64.21 65.48 2k4w n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k4w s GLN 56 N -2.00 4.81 0.57 0.00 -1.52 -1.26 -4.33 119.66 115.93 2k4w s GLN 56 Ca 0.02 1.47 -0.04 0.00 -1.95 0.00 0.00 55.36 54.86 2k4w s GLN 56 Cb 0.01 -3.30 0.01 0.00 -0.22 0.00 0.00 33.01 29.51 2k4w s GLN 56 CO 0.02 0.45 0.85 -1.25 -0.25 0.00 0.00 175.29 175.11 2k4w s PRO 57 N -0.91 2.85 0.10 2.91 0.04 -1.26 -0.80 135.00 137.92 2k4w s PRO 57 Ca 0.42 -0.20 0.01 0.00 0.04 0.00 0.00 61.00 61.27 2k4w s PRO 57 Cb -0.25 -2.34 -0.00 0.00 0.04 0.00 0.00 34.50 31.94 2k4w s PRO 57 CO 0.31 -0.66 0.02 0.00 0.04 0.00 0.00 177.00 176.71 2k4w n ALA 58 N -2.49 0.12 -2.72 8.56 0.00 -1.26 -4.88 120.51 117.84 2k4w n ALA 58 Ca 0.04 -0.46 -0.33 0.00 0.00 0.00 0.00 53.44 52.69 2k4w n ALA 58 Cb 0.58 0.29 -0.05 0.00 0.00 0.00 0.00 19.45 20.28 2k4w n ALA 58 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2k4w s ILE 59 N -1.73 5.24 -0.28 0.00 -1.09 -1.26 -1.17 121.20 120.90 2k4w s ILE 59 Ca 0.03 0.12 -0.24 0.00 -2.23 0.00 0.00 60.65 58.33 2k4w s ILE 59 Cb 0.00 -3.60 0.12 0.00 -1.58 0.00 0.00 42.46 37.40 2k4w s ILE 59 CO 0.02 0.24 0.98 -0.54 -1.23 0.00 0.00 174.94 174.41 2k4w s LYS 60 N -2.12 0.54 -1.37 2.79 1.02 -0.09 -4.94 119.74 115.57 2k4w s LYS 60 Ca 0.33 0.67 -0.03 0.00 0.02 0.00 0.00 55.97 56.96 2k4w s LYS 60 Cb -0.13 0.25 0.01 0.00 -0.52 0.00 0.00 37.83 37.44 2k4w s LYS 60 CO 0.20 -0.07 0.21 -3.47 -0.92 0.00 0.00 175.35 171.30 2k4w n ASP 61 N 2.44 -4.79 0.00 2.83 2.03 -1.26 -1.62 116.55 116.18 2k4w n ASP 61 Ca -0.13 -0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.12 2k4w n ASP 61 Cb 0.56 -3.98 0.00 0.00 -0.72 0.00 0.00 41.12 36.98 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 -1.06 0.78 3.09 0.27 0.00 -1.26 -5.01 105.19 101.99 2k4w n GLY 62 Ca -0.14 0.00 -0.08 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 -0.07 0.60 -0.01 1.61 1.03 -0.64 -5.11 119.66 117.06 2k4w s GLN 63 Ca 0.00 -1.12 -0.25 0.00 0.04 0.00 0.00 55.36 54.02 2k4w s GLN 63 Cb 0.00 0.09 -0.04 0.00 0.03 0.00 0.00 33.01 33.09 2k4w s GLN 63 CO 0.00 -0.07 0.78 0.00 -2.54 0.00 0.00 175.29 173.46 2k4w s ALA 64 N -3.34 3.31 -0.10 2.60 0.00 -1.26 -0.91 121.76 122.05 2k4w s ALA 64 Ca 0.03 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.27 2k4w s ALA 64 Cb 0.04 -3.05 0.12 0.00 0.00 0.00 0.00 23.12 20.22 2k4w s ALA 64 CO -0.07 -0.07 1.45 0.28 0.00 0.00 0.00 175.76 177.34 2k4w n VAL 65 N 3.48 1.72 -0.20 0.00 0.31 -0.32 -4.87 118.33 118.45 2k4w n VAL 65 Ca -0.00 -0.57 0.00 0.00 -0.01 0.00 0.00 64.34 63.75 2k4w n VAL 65 Cb 0.51 -1.06 0.00 0.00 -0.91 0.00 0.00 33.84 32.37 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 0.44 0.00 0.00 3.52 0.00 -1.26 -3.80 120.51 119.41 2k4w n ALA 66 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2k4w n ALA 66 Cb 0.67 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 19.49 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 0.95 0.00 -0.05 0.00 0.00 -1.26 -4.74 120.51 115.41 2k4w n ALA 67 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 2k4w n ALA 67 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 2k4w n ALA 67 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2k4w n GLU 68 N 0.00 0.36 0.26 0.00 2.13 0.02 -4.53 120.64 118.89 2k4w n GLU 68 Ca 0.00 0.14 0.17 0.00 0.66 0.00 0.00 57.16 58.14 2k4w n GLU 68 Cb 0.00 -1.13 0.89 0.00 0.27 0.00 0.00 31.44 31.46 2k4w n GLU 68 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k4w h ALA 69 N -0.68 1.00 0.00 4.31 0.00 -1.59 -2.84 119.26 119.46 2k4w h ALA 69 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2k4w h ALA 69 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2k4w h ALA 69 CO -0.02 0.00 0.07 0.00 0.00 0.00 0.00 179.25 179.30 2k4w n ALA 70 N -1.96 0.89 -0.10 0.00 0.00 -0.25 -4.54 120.51 114.55 2k4w n ALA 70 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2k4w n ALA 70 Cb 0.11 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 -1.37 1.45 5.30 0.00 0.00 -1.07 -1.18 105.19 108.32 2k4w n GLY 71 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.50 1.90 0.00 -0.02 0.00 -1.26 -4.36 105.19 99.95 2k4w n GLY 72 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 8.92 0.00 -2.92 1.61 8.25 -1.26 -4.82 115.22 125.00 2k4w n HIS 73 Ca 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.49 2k4w n HIS 73 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 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 0.00 -0.45 -0.29 2.41 2.96 -1.26 -0.76 118.68 121.29 2k4w s LEU 74 Ca 0.00 -0.13 -0.12 0.00 -0.22 0.00 0.00 54.13 53.65 2k4w s LEU 74 Cb 0.00 0.81 0.11 0.00 0.50 0.00 0.00 46.19 47.61 2k4w s LEU 74 CO 0.00 -0.06 0.66 -0.62 -1.32 0.00 0.00 176.35 175.01 2k4w s ASP 75 N 2.29 -1.03 -0.05 3.68 2.15 -1.26 -1.35 116.67 121.09 2k4w s ASP 75 Ca 0.19 1.53 0.09 0.00 0.43 0.00 0.00 52.55 54.79 2k4w s ASP 75 Cb 0.01 1.86 -0.24 0.00 -0.30 0.00 0.00 42.92 44.25 2k4w s ASP 75 CO -0.17 -0.23 0.63 -0.81 -0.17 0.00 0.00 175.17 174.42 2k4w n PRO 76 N 4.94 0.65 0.00 4.34 -0.04 -1.26 -4.87 135.00 138.76 2k4w n PRO 76 Ca -0.16 0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 2k4w n PRO 76 Cb 0.53 -1.79 0.00 0.00 -0.04 0.00 0.00 33.50 32.21 2k4w n PRO 76 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2k4w n GLN 77 N -3.12 0.00 -0.04 0.54 6.02 -1.26 -5.04 117.38 114.48 2k4w n GLN 77 Ca -0.19 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.66 2k4w n GLN 77 Cb 1.05 0.00 -0.12 0.00 1.02 0.00 0.00 30.24 32.19 2k4w n GLN 77 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 2k4w h ASN 78 N 0.00 0.10 0.00 1.08 4.21 -1.89 -3.46 115.58 115.62 2k4w h ASN 78 Ca 0.00 -0.79 0.00 0.00 1.21 0.00 0.00 56.30 56.72 2k4w h ASN 78 Cb 0.10 -0.03 0.00 0.00 -1.12 0.00 0.00 38.32 37.27 2k4w h ASN 78 CO 0.00 0.88 0.00 1.07 -1.29 0.00 0.00 177.43 178.09 2k4w n THR 79 N -4.61 0.00 0.00 2.81 5.66 -1.26 -4.93 114.28 111.95 2k4w n THR 79 Ca -0.10 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.90 2k4w n THR 79 Cb 0.45 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.23 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 -1.34 2.33 0.00 1.09 0.00 -1.26 -4.92 105.19 101.09 2k4w n GLY 80 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2k4w n GLY 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k4w n LYS 81 N -1.78 0.00 0.00 1.61 5.02 -1.26 -5.04 118.16 116.72 2k4w n LYS 81 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2k4w n LYS 81 Cb 0.00 -0.66 0.00 0.00 -0.02 0.00 0.00 35.03 34.35 2k4w n LYS 81 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 2k4w n HIS 82 N -0.46 0.00 0.00 2.13 -0.00 -1.26 -4.91 115.22 110.72 2k4w n HIS 82 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2k4w n HIS 82 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 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 -0.97 1.91 0.00 1.57 4.07 -1.26 -4.61 120.64 121.35 2k4w n GLU 83 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2k4w n GLU 83 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 2k4w n GLU 83 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2k4w n GLY 84 N 2.94 2.36 0.09 8.31 0.00 -1.26 -4.24 105.19 113.38 2k4w n GLY 84 Ca 0.00 -0.69 0.13 0.00 0.00 0.00 0.00 46.02 45.46 2k4w n GLY 84 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2k4w n PRO 85 N 0.00 0.35 -3.69 1.61 -0.04 -1.20 -4.70 135.00 127.33 2k4w n PRO 85 Ca 0.00 -0.18 -0.14 0.00 -0.04 0.00 0.00 63.50 63.13 2k4w n PRO 85 Cb 0.00 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 31.88 2k4w n PRO 85 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2k4w s GLU 86 N -2.78 0.69 -1.09 0.54 0.41 -1.26 -5.12 118.70 110.09 2k4w s GLU 86 Ca 0.18 0.31 -0.16 0.00 -0.41 0.00 0.00 54.97 54.89 2k4w s GLU 86 Cb 0.18 0.33 0.15 0.00 -1.78 0.00 0.00 34.13 33.01 2k4w s GLU 86 CO 0.60 -0.16 1.32 0.20 -0.49 0.00 0.00 175.26 176.73 2k4w s GLY 87 N -0.54 2.19 0.00 -1.39 0.00 -1.26 -4.36 107.32 101.96 2k4w s GLY 87 Ca -0.07 -3.10 0.00 0.00 0.00 0.00 0.00 44.72 41.55 2k4w s GLY 87 CO 0.04 2.05 0.06 -1.06 0.00 0.00 0.00 173.10 174.19 2k4w n GLN 88 N 6.09 0.00 -0.09 2.90 1.13 -1.26 -5.17 117.38 120.98 2k4w n GLN 88 Ca 0.32 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.38 2k4w n GLN 88 Cb 0.45 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.80 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 0.00 0.59 3.73 1.08 0.00 -1.26 -4.35 105.19 104.98 2k4w n GLY 89 Ca 0.00 -1.85 -0.41 0.00 0.00 0.00 0.00 46.02 43.75 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 0.86 3.51 -2.00 1.61 0.09 -1.26 -4.71 115.29 113.39 2k4w s HIS 90 Ca 0.00 1.47 0.12 0.00 -0.00 0.00 0.00 55.06 56.65 2k4w s HIS 90 Cb 0.00 -3.35 0.70 0.00 -0.00 0.00 0.00 32.58 29.92 2k4w s HIS 90 CO 0.00 -0.93 1.13 1.47 -0.00 0.00 0.00 174.74 176.41 2k4w n LEU 91 N 2.92 0.00 -0.88 0.89 -0.00 -0.46 -1.28 117.00 118.19 2k4w n LEU 91 Ca 0.05 0.00 0.11 0.00 -0.00 0.00 0.00 56.01 56.17 2k4w n LEU 91 Cb 0.46 0.00 0.10 0.00 -0.00 0.00 0.00 43.42 43.98 2k4w n LEU 91 CO 0.55 0.00 0.60 0.61 -0.00 0.00 0.00 177.39 179.15 2k4w n GLY 92 N -0.01 0.82 3.80 1.47 0.00 -1.22 -5.01 105.19 105.04 2k4w n GLY 92 Ca 0.09 -0.63 -0.35 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.79 7.05 0.14 1.61 1.01 -0.40 -0.92 116.67 123.37 2k4w s ASP 93 Ca 0.26 1.82 -0.24 0.00 0.71 0.00 0.00 52.55 55.10 2k4w s ASP 93 Cb 0.18 -2.56 0.07 0.00 1.01 0.00 0.00 42.92 41.62 2k4w s ASP 93 CO 0.27 -0.28 0.61 -0.76 0.21 0.00 0.00 175.17 175.22 2k4w s LEU 94 N -2.64 -0.57 0.52 1.23 1.02 -1.26 -4.97 118.68 112.02 2k4w s LEU 94 Ca 0.57 0.06 -0.20 0.00 0.02 0.00 0.00 54.13 54.58 2k4w s LEU 94 Cb -0.15 2.58 -0.06 0.00 0.02 0.00 0.00 46.19 48.58 2k4w s LEU 94 CO 0.20 -0.93 1.13 -2.16 0.02 0.00 0.00 176.35 174.61 2k4w s PRO 95 N -3.51 3.46 0.07 1.29 0.04 -1.26 -4.56 135.00 130.52 2k4w s PRO 95 Ca -0.00 1.63 -0.31 0.00 0.04 0.00 0.00 61.00 62.36 2k4w s PRO 95 Cb -0.01 -2.08 -0.07 0.00 0.04 0.00 0.00 34.50 32.38 2k4w s PRO 95 CO -0.11 -0.77 1.37 0.14 0.04 0.00 0.00 177.00 177.67 2k4w s VAL 96 N -1.74 3.56 0.02 -0.36 -7.23 -1.26 -4.19 120.40 109.20 2k4w s VAL 96 Ca 0.71 1.07 -0.27 0.00 -1.81 0.00 0.00 61.98 61.67 2k4w s VAL 96 Cb -0.24 -3.68 -0.04 0.00 0.56 0.00 0.00 36.38 32.97 2k4w s VAL 96 CO 0.28 0.05 0.87 -0.22 -0.31 0.00 0.00 175.10 175.77 2k4w s LEU 97 N 1.57 4.41 -0.13 1.32 2.96 0.11 -4.88 118.68 124.04 2k4w s LEU 97 Ca 0.64 1.54 -0.06 0.00 -0.22 0.00 0.00 54.13 56.03 2k4w s LEU 97 Cb -0.34 -3.39 -0.04 0.00 0.50 0.00 0.00 46.19 42.92 2k4w s LEU 97 CO 0.29 -0.12 0.08 -0.69 -1.32 0.00 0.00 176.35 174.59 2k4w s VAL 98 N 0.49 5.03 0.15 1.68 1.01 -1.26 -0.72 120.40 126.78 2k4w s VAL 98 Ca 0.45 0.03 0.09 0.00 0.00 0.00 0.00 61.98 62.55 2k4w s VAL 98 Cb -0.21 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 2k4w s VAL 98 CO 0.25 0.58 -0.17 0.68 0.00 0.00 0.00 175.10 176.44 2k4w s VAL 99 N -0.66 2.84 0.57 2.92 -7.23 -0.52 -3.91 120.40 114.40 2k4w s VAL 99 Ca 0.12 -1.65 -0.13 0.00 -1.81 0.00 0.00 61.98 58.51 2k4w s VAL 99 Cb -0.12 -2.34 -0.06 0.00 0.56 0.00 0.00 36.38 34.42 2k4w s VAL 99 CO 0.02 0.00 1.01 0.54 -0.31 0.00 0.00 175.10 176.37 2k4w s ASN 100 N -2.42 6.41 0.01 4.85 2.20 -0.25 -3.99 114.94 121.74 2k4w s ASN 100 Ca 0.20 1.48 0.00 0.00 -0.94 0.00 0.00 52.86 53.61 2k4w s ASN 100 Cb -0.10 -2.49 0.03 0.00 -2.00 0.00 0.00 41.25 36.69 2k4w s ASN 100 CO 0.11 -0.74 0.99 -0.46 -2.94 0.00 0.00 177.10 174.06 2k4w n ASN 101 N -2.22 0.01 0.03 3.54 6.94 -1.10 -1.29 115.26 121.18 2k4w n ASN 101 Ca 0.06 0.48 0.12 0.00 -0.02 0.00 0.00 54.58 55.22 2k4w n ASN 101 Cb 0.54 -0.48 0.22 0.00 -2.36 0.00 0.00 39.78 37.70 2k4w n ASN 101 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 2k4w n ASP 102 N -1.49 0.57 0.00 0.53 2.03 -1.26 -4.85 116.55 112.08 2k4w n ASP 102 Ca -0.00 -0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.29 2k4w n ASP 102 Cb 0.03 0.18 0.00 0.00 -0.72 0.00 0.00 41.12 40.61 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 1.41 1.33 3.14 0.27 0.00 -0.41 -5.02 105.19 105.91 2k4w n GLY 103 Ca 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 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 1.49 -0.01 -0.61 1.09 -1.24 -2.50 121.20 117.41 2k4w s ILE 104 Ca 0.00 -0.74 -0.19 0.00 -1.10 0.00 0.00 60.65 58.62 2k4w s ILE 104 Cb 0.00 -1.28 -0.05 0.00 -1.06 0.00 0.00 42.46 40.07 2k4w s ILE 104 CO 0.00 0.43 0.54 0.00 -0.10 0.00 0.00 174.94 175.81 2k4w s ALA 105 N 0.05 3.53 0.00 9.38 0.00 0.42 -1.09 121.76 134.06 2k4w s ALA 105 Ca -0.05 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 51.87 2k4w s ALA 105 Cb -0.12 -2.65 0.00 0.00 0.00 0.00 0.00 23.12 20.35 2k4w s ALA 105 CO 0.03 0.22 0.00 -2.37 0.00 0.00 0.00 175.76 173.64 2k4w n THR 106 N 2.60 0.00 -2.04 0.00 5.66 -1.26 -3.37 114.28 115.87 2k4w n THR 106 Ca -0.08 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.49 2k4w n THR 106 Cb 0.51 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.27 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 4.21 0.65 1.09 0.41 -1.25 -4.52 118.70 119.28 2k4w s GLU 107 Ca 0.00 2.17 -0.10 0.00 -0.41 0.00 0.00 54.97 56.63 2k4w s GLU 107 Cb 0.00 -3.80 -0.00 0.00 -1.78 0.00 0.00 34.13 28.55 2k4w s GLU 107 CO 0.00 -0.76 1.02 -1.25 -0.49 0.00 0.00 175.26 173.78 2k4w s PRO 108 N 3.34 3.09 0.06 0.39 0.04 -1.26 -4.49 135.00 136.17 2k4w s PRO 108 Ca 0.71 0.42 -0.02 0.00 0.04 0.00 0.00 61.00 62.15 2k4w s PRO 108 Cb -0.34 -2.11 -0.03 0.00 0.04 0.00 0.00 34.50 32.06 2k4w s PRO 108 CO 0.29 -0.81 0.02 0.14 0.04 0.00 0.00 177.00 176.68 2k4w s VAL 109 N -3.21 0.20 -0.02 -0.36 -7.23 -0.46 -4.95 120.40 104.37 2k4w s VAL 109 Ca 0.56 -1.71 0.04 0.00 -1.81 0.00 0.00 61.98 59.06 2k4w s VAL 109 Cb -0.11 -1.54 -0.01 0.00 0.56 0.00 0.00 36.38 35.29 2k4w s VAL 109 CO 0.50 -0.89 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.36 2k4w s THR 110 N -3.92 1.25 -0.72 5.32 2.01 -1.26 -0.38 115.64 117.94 2k4w s THR 110 Ca 0.08 -0.65 -0.04 0.00 0.31 0.00 0.00 61.69 61.38 2k4w s THR 110 Cb 0.07 -1.05 0.18 0.00 0.01 0.00 0.00 72.50 71.72 2k4w s THR 110 CO -0.09 0.36 0.57 0.00 -0.69 0.00 0.00 174.62 174.76 2k4w s ALA 111 N -0.21 3.81 -2.00 7.40 0.00 -0.24 -4.87 121.76 125.64 2k4w s ALA 111 Ca 0.03 -3.40 0.07 0.00 0.00 0.00 0.00 51.96 48.66 2k4w s ALA 111 Cb -0.08 -2.85 0.43 0.00 0.00 0.00 0.00 23.12 20.62 2k4w s ALA 111 CO 0.00 -2.15 0.88 -0.35 0.00 0.00 0.00 175.76 174.14 2k4w n PRO 112 N 3.31 0.49 0.10 0.00 -0.04 -0.91 -2.45 135.00 135.51 2k4w n PRO 112 Ca 0.12 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.70 2k4w n PRO 112 Cb 0.39 -1.23 0.31 0.00 -0.04 0.00 0.00 33.50 32.93 2k4w n PRO 112 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 2k4w h ARG 113 N 0.00 0.00 -2.92 0.54 -0.00 -1.94 -3.44 114.38 106.62 2k4w h ARG 113 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 59.98 59.83 2k4w h ARG 113 Cb 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 29.97 29.71 2k4w h ARG 113 CO 0.00 0.00 -0.36 -0.48 -0.00 0.00 0.00 179.97 179.13 2k4w s LEU 114 N -4.64 0.57 0.00 0.08 2.34 -1.02 -5.09 118.68 110.92 2k4w s LEU 114 Ca 0.09 0.66 0.00 0.00 0.06 0.00 0.00 54.13 54.94 2k4w s LEU 114 Cb 0.12 1.08 0.00 0.00 -0.56 0.00 0.00 46.19 46.83 2k4w s LEU 114 CO 0.64 -0.13 0.37 2.29 -1.06 0.00 0.00 176.35 178.46 2k4w n LYS 115 N 3.36 0.00 -3.71 1.48 0.00 -1.26 -0.84 118.16 117.19 2k4w n LYS 115 Ca -0.17 -0.37 -0.12 0.00 -0.00 0.00 0.00 58.31 57.65 2k4w n LYS 115 Cb 0.57 -0.39 -0.13 0.00 -0.00 0.00 0.00 35.03 35.08 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 0.00 -0.21 0.52 -5.58 0.01 -1.26 -4.38 113.70 102.80 2k4w s SER 116 Ca 0.00 0.61 0.19 0.00 1.31 0.00 0.00 55.95 58.05 2k4w s SER 116 Cb 0.00 0.54 1.31 0.00 0.21 0.00 0.00 66.02 68.08 2k4w s SER 116 CO 0.00 -0.18 2.12 -0.07 0.41 0.00 0.00 173.24 175.51 2k4w h LEU 117 N 7.38 0.00 -1.67 2.44 -0.00 -1.97 -1.42 115.31 120.07 2k4w h LEU 117 Ca -0.35 0.00 0.13 0.00 -0.00 0.00 0.00 57.88 57.66 2k4w h LEU 117 Cb 1.15 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.79 2k4w h LEU 117 CO 0.32 0.00 0.62 0.44 -0.00 0.00 0.00 178.44 179.82 2k4w h ASP 118 N 0.00 0.00 0.27 -0.43 5.19 -2.01 -0.20 116.42 119.24 2k4w h ASP 118 Ca 0.06 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.47 2k4w h ASP 118 Cb 0.23 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.74 2k4w h ASP 118 CO -0.00 0.00 -0.17 -1.84 -3.12 0.00 0.00 179.24 174.11 2k4w n GLU 119 N -3.39 0.83 -0.05 3.56 0.28 -0.54 -4.09 120.64 117.26 2k4w n GLU 119 Ca 0.09 -0.41 0.02 0.00 -0.16 0.00 0.00 57.16 56.70 2k4w n GLU 119 Cb 0.79 -1.49 0.03 0.00 1.43 0.00 0.00 31.44 32.21 2k4w n GLU 119 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 2k4w n VAL 120 N -0.73 1.01 0.67 3.84 0.24 -0.10 -4.90 118.33 118.36 2k4w n VAL 120 Ca 0.14 -1.10 0.00 0.00 -2.04 0.00 0.00 64.34 61.34 2k4w n VAL 120 Cb 0.31 0.40 0.00 0.00 -1.47 0.00 0.00 33.84 33.08 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 -0.62 0.52 -0.08 7.34 2.85 -1.16 -2.17 118.16 124.83 2k4w n LYS 121 Ca 0.04 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.30 2k4w n LYS 121 Cb 0.40 -1.19 0.00 0.00 -0.65 0.00 0.00 35.03 33.60 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 0.03 0.00 -5.00 -5.58 2.03 -1.26 -5.06 116.55 101.71 2k4w n ASP 122 Ca 0.00 -1.08 -0.18 0.00 0.52 0.00 0.00 54.79 54.05 2k4w n ASP 122 Cb 0.09 -0.02 0.02 0.00 -0.72 0.00 0.00 41.12 40.49 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 2.68 -0.01 -0.67 -0.14 -0.92 -1.16 119.74 119.51 2k4w s LYS 123 Ca 0.00 -1.37 0.01 0.00 -1.36 0.00 0.00 55.97 53.25 2k4w s LYS 123 Cb 0.00 -2.69 -0.04 0.00 -1.68 0.00 0.00 37.83 33.43 2k4w s LYS 123 CO 0.00 -0.40 -0.01 0.00 -0.76 0.00 0.00 175.35 174.18 2k4w s ALA 124 N -2.44 3.25 -0.08 5.17 0.00 -1.01 -3.50 121.76 123.15 2k4w s ALA 124 Ca 0.55 -0.95 -0.03 0.00 0.00 0.00 0.00 51.96 51.53 2k4w s ALA 124 Cb -0.08 -1.33 -0.04 0.00 0.00 0.00 0.00 23.12 21.67 2k4w s ALA 124 CO 0.34 0.64 0.07 -0.51 0.00 0.00 0.00 175.76 176.29 2k4w s LEU 125 N -1.49 3.94 -0.03 0.00 1.43 -0.34 -0.85 118.68 121.34 2k4w s LEU 125 Ca 0.19 0.26 0.01 0.00 -1.03 0.00 0.00 54.13 53.56 2k4w s LEU 125 Cb -0.11 -2.00 0.02 0.00 0.03 0.00 0.00 46.19 44.13 2k4w s LEU 125 CO 0.09 0.37 -0.01 -0.04 0.23 0.00 0.00 176.35 176.99 2k4w s MET 126 N -1.11 0.37 -0.00 1.70 -1.94 -0.24 -0.34 119.30 117.74 2k4w s MET 126 Ca 0.16 0.04 -0.26 0.00 -1.71 0.00 0.00 55.69 53.92 2k4w s MET 126 Cb -0.12 -0.51 -0.04 0.00 2.01 0.00 0.00 34.83 36.17 2k4w s MET 126 CO 0.05 -0.11 0.81 0.42 -0.01 0.00 0.00 175.02 176.18 2k4w s ILE 127 N 0.92 4.87 0.11 2.53 1.01 0.08 -1.94 121.20 128.78 2k4w s ILE 127 Ca -0.10 1.71 0.10 0.00 0.00 0.00 0.00 60.65 62.36 2k4w s ILE 127 Cb -0.13 -4.16 -0.04 0.00 0.01 0.00 0.00 42.46 38.15 2k4w s ILE 127 CO -0.01 0.27 -0.25 -1.00 0.00 0.00 0.00 174.94 173.94 2k4w s HIS 128 N 0.54 2.36 -0.04 3.97 3.76 -0.37 -1.06 115.29 124.45 2k4w s HIS 128 Ca 0.42 -0.36 -0.24 0.00 -0.15 0.00 0.00 55.06 54.73 2k4w s HIS 128 Cb -0.20 -1.29 -0.19 0.00 1.11 0.00 0.00 32.58 32.01 2k4w s HIS 128 CO 0.23 0.32 1.08 0.28 -0.85 0.00 0.00 174.74 175.80 2k4w h VAL 129 N 3.87 1.17 -2.46 -0.90 2.07 -0.84 -3.18 116.25 115.98 2k4w h VAL 129 Ca -0.50 -1.19 -0.44 0.00 0.82 0.00 0.00 66.70 65.39 2k4w h VAL 129 Cb 1.17 1.90 0.04 0.00 -1.52 0.00 0.00 31.29 32.88 2k4w h VAL 129 CO 0.41 0.28 -0.06 -0.83 0.02 0.00 0.00 177.57 177.39 2k4w s GLY 130 N -3.26 1.80 0.00 2.17 0.00 -0.88 -4.54 107.32 102.60 2k4w s GLY 130 Ca -0.15 -1.32 0.00 0.00 0.00 0.00 0.00 44.72 43.26 2k4w s GLY 130 CO 0.59 -1.06 0.00 0.61 0.00 0.00 0.00 173.10 173.24 2k4w n GLY 131 N -2.26 -2.09 2.48 0.20 0.00 -1.26 -0.29 105.19 101.97 2k4w n GLY 131 Ca 0.07 -1.45 -0.28 0.00 0.00 0.00 0.00 46.02 44.36 2k4w n GLY 131 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k4w s ASP 132 N -1.44 2.36 0.00 1.61 -1.08 -1.26 -4.32 116.67 112.54 2k4w s ASP 132 Ca 0.00 -2.82 0.00 0.00 -0.52 0.00 0.00 52.55 49.21 2k4w s ASP 132 Cb 0.00 -0.57 0.00 0.00 -1.46 0.00 0.00 42.92 40.89 2k4w s ASP 132 CO 0.00 -0.21 0.00 -0.46 0.52 0.00 0.00 175.17 175.02 2k4w n ASN 133 N 3.21 0.00 -3.77 -0.34 6.94 -1.26 -4.62 115.26 115.41 2k4w n ASN 133 Ca 0.22 -0.19 -0.13 0.00 -0.02 0.00 0.00 54.58 54.46 2k4w n ASN 133 Cb 0.42 0.00 -0.11 0.00 -2.36 0.00 0.00 39.78 37.74 2k4w n ASN 133 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2k4w s MET 134 N 0.00 0.40 0.00 -3.83 0.23 -1.26 -3.25 119.30 111.59 2k4w s MET 134 Ca 0.00 0.28 0.00 0.00 -1.03 0.00 0.00 55.69 54.94 2k4w s MET 134 Cb 0.00 0.19 0.00 0.00 -1.53 0.00 0.00 34.83 33.49 2k4w s MET 134 CO 0.00 -0.07 0.22 -1.13 -2.03 0.00 0.00 175.02 172.02 2k4w n SER 135 N 2.59 0.00 0.04 -1.18 3.41 -1.26 -4.13 113.62 113.08 2k4w n SER 135 Ca -0.15 -1.05 -0.22 0.00 -0.26 0.00 0.00 58.87 57.19 2k4w n SER 135 Cb 0.57 -0.01 -0.14 0.00 -0.26 0.00 0.00 64.21 64.37 2k4w n SER 135 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 2k4w h ASP 136 N 0.00 0.52 -3.89 4.04 3.58 -1.95 -3.47 116.42 115.24 2k4w h ASP 136 Ca 0.00 -0.94 -0.49 0.00 0.42 0.00 0.00 57.03 56.02 2k4w h ASP 136 Cb 1.02 -0.17 0.02 0.00 1.72 0.00 0.00 39.33 41.92 2k4w h ASP 136 CO 0.00 1.81 0.44 0.00 -2.88 0.00 0.00 179.24 178.61 2k4w s GLN 137 N -2.56 4.35 0.31 0.28 0.00 -1.26 -4.98 119.66 115.80 2k4w s GLN 137 Ca -0.19 1.66 0.08 0.00 -0.00 0.00 0.00 55.36 56.91 2k4w s GLN 137 Cb 0.06 -2.82 0.50 0.00 0.00 0.00 0.00 33.01 30.75 2k4w s GLN 137 CO 0.81 -0.01 1.72 -1.00 0.00 0.00 0.00 175.29 176.81 2k4w h PRO 138 N 3.06 0.18 -6.31 9.60 0.13 -2.04 -3.37 132.00 133.24 2k4w h PRO 138 Ca -0.48 -0.08 -0.57 0.00 -0.87 0.00 0.00 66.00 64.00 2k4w h PRO 138 Cb 1.22 -0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 2k4w h PRO 138 CO 0.64 0.57 1.01 0.15 -0.23 0.00 0.00 178.00 180.14 2k4w s LYS 139 N -4.13 3.91 0.44 0.86 1.02 -1.26 -4.95 119.74 115.62 2k4w s LYS 139 Ca -0.04 1.42 -0.24 0.00 0.02 0.00 0.00 55.97 57.13 2k4w s LYS 139 Cb 0.14 -3.92 -0.08 0.00 -0.52 0.00 0.00 37.83 33.45 2k4w s LYS 139 CO 0.76 -1.14 1.21 -1.25 -0.92 0.00 0.00 175.35 174.02 2k4w s PRO 140 N 4.26 3.84 -1.97 -1.68 0.04 -1.26 -2.63 135.00 135.60 2k4w s PRO 140 Ca 0.61 1.92 0.00 0.00 0.04 0.00 0.00 61.00 63.57 2k4w s PRO 140 Cb -0.20 -2.55 0.00 0.00 0.04 0.00 0.00 34.50 31.79 2k4w s PRO 140 CO 0.24 -0.53 0.00 1.28 0.04 0.00 0.00 177.00 178.04 2k4w n LEU 141 N -0.23 -1.29 -0.36 -3.56 4.32 -1.26 -1.89 117.00 112.73 2k4w n LEU 141 Ca 0.06 0.46 -0.05 0.00 -0.02 0.00 0.00 56.01 56.46 2k4w n LEU 141 Cb 0.46 -2.73 -0.02 0.00 -1.62 0.00 0.00 43.42 39.51 2k4w n LEU 141 CO 0.51 -1.04 -0.04 0.61 -1.22 0.00 0.00 177.39 176.21 2k4w n GLY 142 N -0.28 0.56 0.92 -0.72 0.00 -1.08 -1.10 105.19 103.49 2k4w n GLY 142 Ca -0.19 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.33 0.87 0.00 -0.02 0.00 -0.79 -4.99 105.19 99.93 2k4w n GLY 143 Ca -0.05 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.14 0.00 -0.02 0.00 -0.26 -3.80 105.19 97.97 2k4w n GLY 144 Ca 0.00 -0.08 0.07 0.00 0.00 0.00 0.00 46.02 46.01 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 0.58 -0.59 3.77 -0.02 0.00 -1.26 -2.08 105.19 105.59 2k4w n GLY 145 Ca 0.06 -0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 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 3.15 0.06 2.61 -4.23 -1.25 -4.91 115.64 109.07 2k4w s THR 146 Ca 0.22 0.66 0.00 0.00 -1.18 0.00 0.00 61.69 61.39 2k4w s THR 146 Cb 0.10 -3.23 -0.04 0.00 1.34 0.00 0.00 72.50 70.67 2k4w s THR 146 CO 0.17 -0.20 0.20 -0.13 -0.54 0.00 0.00 174.62 174.12 2k4w s ARG 147 N -3.51 3.41 -0.11 3.99 3.00 -1.26 -0.42 118.95 124.05 2k4w s ARG 147 Ca 0.71 -0.46 0.05 0.00 0.00 0.00 0.00 55.73 56.04 2k4w s ARG 147 Cb -0.23 -3.02 -0.10 0.00 0.00 0.00 0.00 34.95 31.60 2k4w s ARG 147 CO 0.31 0.60 -0.03 0.98 0.00 0.00 0.00 175.30 177.16 2k4w n TYR 148 N 0.27 0.00 -3.72 -0.53 9.36 -0.22 -4.68 117.16 117.64 2k4w n TYR 148 Ca -0.05 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 61.03 2k4w n TYR 148 Cb 0.51 -0.48 -0.09 0.00 -0.63 0.00 0.00 39.34 38.65 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 -2.24 -1.02 -0.10 2.98 0.00 -1.10 -1.50 121.76 118.77 2k4w s ALA 149 Ca -0.10 0.88 -0.04 0.00 0.00 0.00 0.00 51.96 52.70 2k4w s ALA 149 Cb 0.04 -0.34 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 2k4w s ALA 149 CO 0.34 -0.24 0.04 0.00 0.00 0.00 0.00 175.76 175.91 2k4w s GLY 151 N -0.88 1.39 0.25 0.00 0.00 0.53 -0.24 107.32 108.37 2k4w s GLY 151 Ca 0.13 -2.40 -0.30 0.00 0.00 0.00 0.00 44.72 42.16 2k4w s GLY 151 CO 0.03 1.80 1.41 0.14 0.00 0.00 0.00 173.10 176.47 2k4w s VAL 152 N 0.44 2.73 0.33 1.40 1.01 -1.26 -1.20 120.40 123.84 2k4w s VAL 152 Ca 0.21 0.62 -0.29 0.00 0.00 0.00 0.00 61.98 62.52 2k4w s VAL 152 Cb -0.18 -3.40 -0.11 0.00 0.00 0.00 0.00 36.38 32.69 2k4w s VAL 152 CO -0.04 0.10 1.53 -0.38 0.00 0.00 0.00 175.10 176.32 2k4w n ILE 153 N 2.18 1.51 0.10 2.22 -0.00 -1.23 -4.59 119.36 119.55 2k4w n ILE 153 Ca 0.06 -0.38 0.01 0.00 -0.00 0.00 0.00 62.75 62.44 2k4w n ILE 153 Cb 0.41 -1.94 0.01 0.00 -0.00 0.00 0.00 39.64 38.11 2k4w n ILE 153 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84