#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kdm s PRO 13 N 0.00 3.60 -0.22 -0.67 0.04 -1.26 -4.93 135.00 131.56 1kdm s PRO 13 Ca 0.00 1.87 -0.29 0.00 0.04 0.00 0.00 61.00 62.62 1kdm s PRO 13 Cb 0.00 -2.35 -0.03 0.00 0.04 0.00 0.00 34.50 32.16 1kdm s PRO 13 CO 0.00 -0.71 1.68 -1.25 0.04 0.00 0.00 177.00 176.76 1kdm s PRO 14 N -2.77 3.74 0.09 0.56 0.04 -1.26 -4.99 135.00 130.41 1kdm s PRO 14 Ca 0.66 1.71 -0.00 0.00 0.04 0.00 0.00 61.00 63.41 1kdm s PRO 14 Cb -0.31 -4.07 -0.04 0.00 0.04 0.00 0.00 34.50 30.12 1kdm s PRO 14 CO 0.37 -1.36 0.25 0.00 0.04 0.00 0.00 177.00 176.30 1kdm s ALA 15 N 5.46 3.97 0.06 8.56 0.00 -1.26 -4.59 121.76 133.96 1kdm s ALA 15 Ca 0.74 -0.85 0.07 0.00 0.00 0.00 0.00 51.96 51.93 1kdm s ALA 15 Cb -0.26 -1.86 -0.03 0.00 0.00 0.00 0.00 23.12 20.97 1kdm s ALA 15 CO 0.30 0.74 -0.20 0.54 0.00 0.00 0.00 175.76 177.15 1kdm s VAL 16 N -1.58 1.59 0.23 0.00 0.11 0.11 -1.71 120.40 119.15 1kdm s VAL 16 Ca 0.36 -1.29 -0.30 0.00 -2.93 0.00 0.00 61.98 57.82 1kdm s VAL 16 Cb -0.12 -1.41 -0.09 0.00 -1.53 0.00 0.00 36.38 33.22 1kdm s VAL 16 CO 0.28 0.08 1.29 -1.00 -3.33 0.00 0.00 175.10 172.41 1kdm s HIS 17 N -0.94 3.25 -0.49 1.54 3.76 0.12 -0.76 115.29 121.76 1kdm s HIS 17 Ca 0.06 1.30 0.24 0.00 -0.15 0.00 0.00 55.06 56.51 1kdm s HIS 17 Cb -0.09 -3.59 0.34 0.00 1.11 0.00 0.00 32.58 30.35 1kdm s HIS 17 CO 0.02 -1.75 1.43 -0.07 -0.85 0.00 0.00 174.74 173.53 1kdm h LEU 18 N 4.83 0.00 -8.42 0.89 3.38 -1.33 -3.44 115.31 111.23 1kdm h LEU 18 Ca -0.46 -0.05 -0.29 0.00 0.09 0.00 0.00 57.88 57.18 1kdm h LEU 18 Cb 1.22 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.79 1kdm h LEU 18 CO 0.74 0.02 -0.72 -0.94 0.09 0.00 0.00 178.44 177.63 1kdm s SER 19 N -5.23 1.30 0.00 -0.43 1.04 -1.19 -4.48 113.70 104.72 1kdm s SER 19 Ca 0.06 -0.84 0.18 0.00 0.48 0.00 0.00 55.95 55.82 1kdm s SER 19 Cb 0.09 0.03 -0.05 0.00 0.10 0.00 0.00 66.02 66.20 1kdm s SER 19 CO 0.70 -0.31 0.87 0.59 0.98 0.00 0.00 173.24 176.07 1kdm n ASN 20 N 0.48 1.51 0.00 7.02 3.02 -1.26 -4.97 115.26 121.06 1kdm n ASN 20 Ca -0.16 -1.26 0.00 0.00 -0.03 0.00 0.00 54.58 53.14 1kdm n ASN 20 Cb 0.58 0.60 0.00 0.00 -0.61 0.00 0.00 39.78 40.35 1kdm n ASN 20 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kdm n GLY 21 N 1.27 1.98 0.11 7.41 0.00 -1.26 -4.88 105.19 109.82 1kdm n GLY 21 Ca 0.06 -0.68 -0.06 0.00 0.00 0.00 0.00 46.02 45.34 1kdm n GLY 21 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kdm h PRO 22 N 0.00 -0.16 -7.33 1.61 0.13 -2.03 -3.47 132.00 120.76 1kdm h PRO 22 Ca 0.00 0.01 -0.51 0.00 -0.87 0.00 0.00 66.00 64.63 1kdm h PRO 22 Cb 0.00 0.04 0.08 0.00 0.13 0.00 0.00 31.00 31.24 1kdm h PRO 22 CO 0.00 0.11 0.39 0.20 -0.23 0.00 0.00 178.00 178.47 1kdm s GLY 23 N -3.45 1.71 -0.15 1.56 0.00 -1.26 -4.99 107.32 100.74 1kdm s GLY 23 Ca -0.07 0.05 0.15 0.00 0.00 0.00 0.00 44.72 44.86 1kdm s GLY 23 CO 0.25 0.35 1.41 -1.06 0.00 0.00 0.00 173.10 174.05 1kdm n GLN 24 N -2.88 3.04 -2.29 2.90 6.02 -1.26 -4.57 117.38 118.35 1kdm n GLN 24 Ca 0.07 -2.72 -0.40 0.00 -0.01 0.00 0.00 57.00 53.94 1kdm n GLN 24 Cb 0.54 -1.76 -0.03 0.00 1.02 0.00 0.00 30.24 30.00 1kdm n GLN 24 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1kdm s GLU 25 N -2.46 4.49 0.51 -1.09 8.01 -1.26 -4.44 118.70 122.47 1kdm s GLU 25 Ca 0.40 2.01 -0.20 0.00 0.01 0.00 0.00 54.97 57.19 1kdm s GLU 25 Cb 0.30 -3.13 -0.09 0.00 -4.31 0.00 0.00 34.13 26.91 1kdm s GLU 25 CO 0.11 0.01 0.74 -0.35 0.01 0.00 0.00 175.26 175.78 1kdm n PRO 26 N 0.98 0.81 0.01 0.39 -0.05 -1.26 -4.67 135.00 131.21 1kdm n PRO 26 Ca -0.01 0.30 0.13 0.00 -0.05 0.00 0.00 63.50 63.88 1kdm n PRO 26 Cb 0.43 -1.84 0.43 0.00 -0.05 0.00 0.00 33.50 32.47 1kdm n PRO 26 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 175.50 175.89 1kdm n ILE 27 N -1.25 0.05 -3.63 0.52 -5.35 -0.17 -4.89 119.36 104.63 1kdm n ILE 27 Ca 0.11 -0.03 -0.15 0.00 -0.27 0.00 0.00 62.75 62.42 1kdm n ILE 27 Cb 0.44 -0.18 -0.07 0.00 -1.74 0.00 0.00 39.64 38.08 1kdm n ILE 27 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1kdm s ALA 28 N -3.01 -1.56 -0.06 -1.28 0.00 -1.25 -4.69 121.76 109.91 1kdm s ALA 28 Ca 0.12 1.58 0.02 0.00 0.00 0.00 0.00 51.96 53.68 1kdm s ALA 28 Cb 0.18 -0.73 0.02 0.00 0.00 0.00 0.00 23.12 22.59 1kdm s ALA 28 CO 0.61 -0.31 -0.09 0.08 0.00 0.00 0.00 175.76 176.05 1kdm s VAL 29 N -0.12 0.91 -0.02 0.00 1.01 -1.26 -1.56 120.40 119.35 1kdm s VAL 29 Ca -0.03 -0.33 0.08 0.00 0.00 0.00 0.00 61.98 61.69 1kdm s VAL 29 Cb -0.03 -0.87 -0.02 0.00 0.00 0.00 0.00 36.38 35.46 1kdm s VAL 29 CO 0.03 0.31 -0.26 -0.04 0.00 0.00 0.00 175.10 175.14 1kdm s MET 30 N 0.84 2.14 0.04 2.72 -1.94 0.15 -0.76 119.30 122.49 1kdm s MET 30 Ca -0.12 -0.92 0.08 0.00 -1.71 0.00 0.00 55.69 53.02 1kdm s MET 30 Cb -0.15 -2.04 -0.03 0.00 2.01 0.00 0.00 34.83 34.63 1kdm s MET 30 CO 0.02 0.53 -0.23 0.95 -0.01 0.00 0.00 175.02 176.28 1kdm s THR 31 N -0.55 1.83 0.02 2.05 -4.23 -0.30 -0.56 115.64 113.90 1kdm s THR 31 Ca 0.08 -1.23 0.04 0.00 -1.18 0.00 0.00 61.69 59.40 1kdm s THR 31 Cb -0.10 -1.57 -0.02 0.00 1.34 0.00 0.00 72.50 72.15 1kdm s THR 31 CO -0.00 0.29 -0.12 -0.36 -0.54 0.00 0.00 174.62 173.89 1kdm s PHE 32 N -0.77 1.08 -0.34 3.99 0.40 -0.05 0.59 117.98 122.88 1kdm s PHE 32 Ca 0.09 -0.30 -0.24 0.00 -0.60 0.00 0.00 56.93 55.88 1kdm s PHE 32 Cb -0.09 -0.66 0.01 0.00 0.51 0.00 0.00 43.02 42.79 1kdm s PHE 32 CO 0.02 0.01 0.80 0.34 0.70 0.00 0.00 175.22 177.09 1kdm s ASP 33 N -0.86 6.61 0.45 1.36 2.15 0.11 -2.08 116.67 124.41 1kdm s ASP 33 Ca 0.01 0.50 0.15 0.00 0.43 0.00 0.00 52.55 53.64 1kdm s ASP 33 Cb -0.07 -2.41 1.02 0.00 -0.30 0.00 0.00 42.92 41.16 1kdm s ASP 33 CO 0.01 -0.70 1.99 0.25 -0.17 0.00 0.00 175.17 176.54 1kdm h LEU 34 N 9.68 0.00 0.00 -1.34 5.85 -1.35 -1.65 115.31 126.49 1kdm h LEU 34 Ca -0.24 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.48 1kdm h LEU 34 Cb 1.09 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.12 1kdm h LEU 34 CO 0.91 0.19 0.00 0.35 -0.34 0.00 0.00 178.44 179.55 1kdm n THR 35 N -4.27 0.44 0.55 1.05 -2.24 -1.26 -2.76 114.28 105.79 1kdm n THR 35 Ca -0.02 0.11 0.06 0.00 -2.27 0.00 0.00 64.05 61.93 1kdm n THR 35 Cb 0.25 -0.76 -0.00 0.00 -2.10 0.00 0.00 70.33 67.72 1kdm n THR 35 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1kdm n LYS 36 N -1.37 1.94 -2.18 -0.78 5.02 -0.63 -4.98 118.16 115.18 1kdm n LYS 36 Ca 0.08 -0.67 -0.42 0.00 -2.02 0.00 0.00 58.31 55.27 1kdm n LYS 36 Cb 0.20 -1.15 -0.03 0.00 -0.02 0.00 0.00 35.03 34.03 1kdm n LYS 36 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1kdm s ILE 37 N -1.57 3.57 -0.01 -0.18 -1.09 -1.11 -4.52 121.20 116.29 1kdm s ILE 37 Ca 0.10 1.00 0.02 0.00 -2.23 0.00 0.00 60.65 59.55 1kdm s ILE 37 Cb 0.10 -3.65 -0.03 0.00 -1.58 0.00 0.00 42.46 37.30 1kdm s ILE 37 CO 0.31 0.01 0.03 0.35 -1.23 0.00 0.00 174.94 174.42 1kdm n THR 38 N 4.53 0.04 -3.89 2.92 -2.24 -1.26 -4.89 114.28 109.49 1kdm n THR 38 Ca 0.13 -0.06 -0.35 0.00 -2.27 0.00 0.00 64.05 61.50 1kdm n THR 38 Cb 0.43 -0.02 -0.14 0.00 -2.10 0.00 0.00 70.33 68.50 1kdm n THR 38 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1kdm s LYS 39 N -2.11 3.20 -0.66 -0.78 2.20 -1.26 -5.00 119.74 115.32 1kdm s LYS 39 Ca -0.01 -0.75 0.04 0.00 -0.36 0.00 0.00 55.97 54.89 1kdm s LYS 39 Cb 0.01 -3.07 0.34 0.00 -1.51 0.00 0.00 37.83 33.60 1kdm s LYS 39 CO 0.08 -0.29 1.14 0.25 -0.36 0.00 0.00 175.35 176.18 1kdm n THR 40 N 4.78 3.65 -3.68 3.43 -2.24 -1.26 -3.52 114.28 115.44 1kdm n THR 40 Ca -0.17 -5.62 -0.11 0.00 -2.27 0.00 0.00 64.05 55.87 1kdm n THR 40 Cb 0.49 -1.42 -0.06 0.00 -2.10 0.00 0.00 70.33 67.25 1kdm n THR 40 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1kdm s SER 41 N -3.04 -0.20 0.06 3.42 1.04 -1.26 -0.49 113.70 113.23 1kdm s SER 41 Ca 0.47 -0.23 0.03 0.00 0.48 0.00 0.00 55.95 56.70 1kdm s SER 41 Cb 0.27 0.43 -0.03 0.00 0.10 0.00 0.00 66.02 66.79 1kdm s SER 41 CO -0.14 -0.75 -0.09 -0.44 0.98 0.00 0.00 173.24 172.80 1kdm s SER 42 N -2.45 1.11 0.00 7.02 0.01 -0.41 -1.29 113.70 117.70 1kdm s SER 42 Ca -0.01 -0.65 -0.22 0.00 1.31 0.00 0.00 55.95 56.39 1kdm s SER 42 Cb 0.01 0.02 0.05 0.00 0.21 0.00 0.00 66.02 66.31 1kdm s SER 42 CO -0.08 -0.22 0.49 -0.94 0.41 0.00 0.00 173.24 172.90 1kdm s SER 43 N -1.90 -0.40 0.22 2.44 1.04 -0.34 -1.67 113.70 113.10 1kdm s SER 43 Ca -0.04 0.27 -0.21 0.00 0.48 0.00 0.00 55.95 56.45 1kdm s SER 43 Cb -0.07 0.44 0.07 0.00 0.10 0.00 0.00 66.02 66.56 1kdm s SER 43 CO 0.00 -0.60 0.98 0.72 0.98 0.00 0.00 173.24 175.31 1kdm s PHE 44 N -1.80 0.06 -0.00 5.02 -0.12 -0.75 -1.16 117.98 119.22 1kdm s PHE 44 Ca -0.09 -0.50 0.08 0.00 -0.05 0.00 0.00 56.93 56.37 1kdm s PHE 44 Cb -0.02 0.72 -0.02 0.00 -0.63 0.00 0.00 43.02 43.07 1kdm s PHE 44 CO 0.03 -1.05 -0.25 -1.21 -0.05 0.00 0.00 175.22 172.70 1kdm s GLU 45 N -2.34 1.92 -0.01 1.99 2.02 -0.37 -1.29 118.70 120.63 1kdm s GLU 45 Ca 0.19 -0.92 0.01 0.00 0.02 0.00 0.00 54.97 54.27 1kdm s GLU 45 Cb -0.03 -1.91 0.00 0.00 0.10 0.00 0.00 34.13 32.30 1kdm s GLU 45 CO 0.06 0.52 -0.03 0.54 0.02 0.00 0.00 175.26 176.36 1kdm s VAL 46 N -0.63 0.30 -0.05 2.63 0.11 -0.25 -2.38 120.40 120.14 1kdm s VAL 46 Ca 0.10 -0.13 0.01 0.00 -2.93 0.00 0.00 61.98 59.03 1kdm s VAL 46 Cb -0.09 -0.28 0.02 0.00 -1.53 0.00 0.00 36.38 34.50 1kdm s VAL 46 CO -0.00 0.10 -0.05 -0.60 -3.33 0.00 0.00 175.10 171.21 1kdm s ARG 47 N 0.10 0.96 0.14 1.54 3.52 -0.91 -0.16 118.95 124.15 1kdm s ARG 47 Ca -0.01 -0.14 -0.22 0.00 -0.13 0.00 0.00 55.73 55.23 1kdm s ARG 47 Cb -0.04 -0.95 0.06 0.00 -1.56 0.00 0.00 34.95 32.47 1kdm s ARG 47 CO -0.00 -0.08 0.56 -0.08 -0.81 0.00 0.00 175.30 174.89 1kdm s THR 48 N 0.94 0.02 -0.63 4.11 -1.32 -1.26 -0.85 115.64 116.65 1kdm s THR 48 Ca -0.11 -0.13 0.06 0.00 -1.21 0.00 0.00 61.69 60.31 1kdm s THR 48 Cb -0.14 -1.03 0.03 0.00 -1.51 0.00 0.00 72.50 69.84 1kdm s THR 48 CO 0.00 -0.07 0.60 0.79 -2.21 0.00 0.00 174.62 173.73 1kdm n TRP 49 N -0.28 0.00 -2.80 9.09 7.02 -1.26 -1.33 117.44 127.88 1kdm n TRP 49 Ca -0.17 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 55.90 1kdm n TRP 49 Cb 0.64 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.50 1kdm n TRP 49 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1kdm s ASP 50 N -0.65 7.21 0.27 -0.99 -1.08 -1.26 -4.91 116.67 115.26 1kdm s ASP 50 Ca 0.06 1.47 0.26 0.00 -0.52 0.00 0.00 52.55 53.81 1kdm s ASP 50 Cb 0.05 -2.52 0.78 0.00 -1.46 0.00 0.00 42.92 39.77 1kdm s ASP 50 CO 0.10 -0.28 1.75 1.55 0.52 0.00 0.00 175.17 178.80 1kdm h PRO 51 N 6.91 0.00 -2.98 4.34 0.13 -1.94 -3.43 132.00 135.03 1kdm h PRO 51 Ca -0.38 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.56 1kdm h PRO 51 Cb 1.19 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.02 1kdm h PRO 51 CO 0.78 0.00 -0.49 -2.00 -0.23 0.00 0.00 178.00 176.07 1kdm s GLU 52 N -3.17 0.20 0.00 0.86 2.12 -1.26 -1.78 118.70 115.67 1kdm s GLU 52 Ca 0.09 0.57 0.00 0.00 0.36 0.00 0.00 54.97 55.99 1kdm s GLU 52 Cb 0.11 -0.11 0.00 0.00 0.26 0.00 0.00 34.13 34.39 1kdm s GLU 52 CO 0.58 -0.18 0.00 0.41 -0.54 0.00 0.00 175.26 175.52 1kdm n GLY 53 N 4.41 0.08 3.73 -1.50 0.00 -0.64 -4.39 105.19 106.87 1kdm n GLY 53 Ca -0.22 -1.24 -0.39 0.00 0.00 0.00 0.00 46.02 44.18 1kdm n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kdm s VAL 54 N -2.00 5.12 -0.22 1.61 1.01 0.12 -0.53 120.40 125.51 1kdm s VAL 54 Ca 0.00 1.13 -0.17 0.00 0.00 0.00 0.00 61.98 62.94 1kdm s VAL 54 Cb 0.00 -3.90 -0.14 0.00 0.00 0.00 0.00 36.38 32.34 1kdm s VAL 54 CO 0.00 0.31 -0.06 -0.38 0.00 0.00 0.00 175.10 174.98 1kdm n ILE 55 N 3.60 1.52 -3.62 2.22 5.41 0.57 -4.18 119.36 124.87 1kdm n ILE 55 Ca -0.05 -0.11 -0.11 0.00 1.00 0.00 0.00 62.75 63.48 1kdm n ILE 55 Cb 0.51 -2.05 -0.05 0.00 -0.71 0.00 0.00 39.64 37.35 1kdm n ILE 55 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 176.55 177.27 1kdm s PHE 56 N -2.43 -0.24 0.02 1.39 -0.12 -0.26 -1.14 117.98 115.18 1kdm s PHE 56 Ca -0.31 -0.01 0.04 0.00 -0.05 0.00 0.00 56.93 56.60 1kdm s PHE 56 Cb 0.08 0.27 -0.02 0.00 -0.63 0.00 0.00 43.02 42.73 1kdm s PHE 56 CO 0.51 -0.69 -0.12 -0.47 -0.05 0.00 0.00 175.22 174.40 1kdm s TYR 57 N -3.54 1.08 0.07 3.49 5.04 -0.42 -0.33 117.35 122.75 1kdm s TYR 57 Ca 0.01 -0.28 0.04 0.00 -2.44 0.00 0.00 57.07 54.40 1kdm s TYR 57 Cb 0.01 -0.67 -0.03 0.00 0.35 0.00 0.00 41.96 41.62 1kdm s TYR 57 CO -0.10 0.00 -0.11 0.20 -1.34 0.00 0.00 175.55 174.20 1kdm s GLY 58 N -0.75 0.77 0.16 8.97 0.00 0.09 -0.65 107.32 115.91 1kdm s GLY 58 Ca 0.02 -1.02 -0.23 0.00 0.00 0.00 0.00 44.72 43.49 1kdm s GLY 58 CO 0.00 -1.07 0.62 0.51 0.00 0.00 0.00 173.10 173.16 1kdm s ASP 59 N -1.99 -0.54 -0.01 1.64 1.47 -0.63 -0.67 116.67 115.93 1kdm s ASP 59 Ca -0.01 -0.03 0.10 0.00 1.18 0.00 0.00 52.55 53.79 1kdm s ASP 59 Cb -0.07 0.59 -0.14 0.00 -0.34 0.00 0.00 42.92 42.96 1kdm s ASP 59 CO 0.01 -0.97 0.29 0.35 0.68 0.00 0.00 175.17 175.53 1kdm n THR 60 N -0.38 0.00 -3.61 2.11 -2.24 -0.40 -0.68 114.28 109.09 1kdm n THR 60 Ca -0.16 -0.24 -0.02 0.00 -2.27 0.00 0.00 64.05 61.35 1kdm n THR 60 Cb 0.65 0.49 -0.05 0.00 -2.10 0.00 0.00 70.33 69.32 1kdm n THR 60 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1kdm s ASN 61 N -2.81 -0.96 0.00 3.42 3.84 -1.14 -4.87 114.94 112.42 1kdm s ASN 61 Ca -0.01 1.39 0.27 0.00 0.21 0.00 0.00 52.86 54.71 1kdm s ASN 61 Cb 0.07 1.89 1.40 0.00 -0.55 0.00 0.00 41.25 44.06 1kdm s ASN 61 CO 0.43 -0.20 1.93 -0.81 -2.79 0.00 0.00 177.10 175.66 1kdm n PRO 62 N 4.95 0.44 -0.09 0.43 -0.04 -1.26 -0.77 135.00 138.66 1kdm n PRO 62 Ca -0.14 0.03 -0.10 0.00 -0.04 0.00 0.00 63.50 63.25 1kdm n PRO 62 Cb 0.53 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.33 1kdm n PRO 62 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1kdm n LYS 63 N -1.25 0.68 -0.23 0.54 5.02 -1.26 -4.82 118.16 116.84 1kdm n LYS 63 Ca 0.14 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 1kdm n LYS 63 Cb 0.20 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 1kdm n LYS 63 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1kdm n ASP 64 N -2.82 0.00 -3.12 4.39 3.85 -1.02 -5.00 116.55 112.84 1kdm n ASP 64 Ca -0.31 -1.21 -0.18 0.00 -0.71 0.00 0.00 54.79 52.38 1kdm n ASP 64 Cb 1.14 -0.04 -0.05 0.00 -1.35 0.00 0.00 41.12 40.81 1kdm n ASP 64 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.20 175.52 1kdm n ASP 65 N 0.00 -1.62 -3.79 -1.12 2.03 0.05 -3.78 116.55 108.32 1kdm n ASP 65 Ca 0.00 -2.64 -0.11 0.00 0.52 0.00 0.00 54.79 52.56 1kdm n ASP 65 Cb 0.54 0.38 -0.08 0.00 -0.72 0.00 0.00 41.12 41.25 1kdm n ASP 65 CO 0.00 0.00 0.00 -1.66 -1.92 0.00 0.00 177.20 173.62 1kdm s TRP 66 N 0.28 -0.04 -0.05 -0.67 1.48 -0.04 -1.27 118.94 118.62 1kdm s TRP 66 Ca 0.32 -0.13 -0.06 0.00 -1.06 0.00 0.00 56.10 55.17 1kdm s TRP 66 Cb 0.05 0.05 0.01 0.00 -1.16 0.00 0.00 33.47 32.42 1kdm s TRP 66 CO -0.14 -0.48 0.16 0.12 -4.06 0.00 0.00 176.95 172.55 1kdm s PHE 67 N -2.60 -0.14 -0.00 1.66 5.36 0.15 -1.46 117.98 120.95 1kdm s PHE 67 Ca -0.05 0.33 0.02 0.00 -0.96 0.00 0.00 56.93 56.27 1kdm s PHE 67 Cb -0.01 0.04 -0.01 0.00 -0.34 0.00 0.00 43.02 42.71 1kdm s PHE 67 CO -0.04 -0.13 -0.07 1.41 -1.46 0.00 0.00 175.22 174.94 1kdm s MET 68 N -0.20 0.56 -0.14 10.12 -2.45 0.53 -0.73 119.30 126.99 1kdm s MET 68 Ca -0.03 -0.27 0.01 0.00 -1.25 0.00 0.00 55.69 54.15 1kdm s MET 68 Cb -0.02 -0.53 0.02 0.00 1.25 0.00 0.00 34.83 35.54 1kdm s MET 68 CO 0.00 0.14 -0.16 -1.17 1.05 0.00 0.00 175.02 174.88 1kdm s LEU 69 N -0.23 1.82 0.00 4.11 2.96 0.55 -1.44 118.68 126.45 1kdm s LEU 69 Ca 0.02 -0.51 0.00 0.00 -0.22 0.00 0.00 54.13 53.42 1kdm s LEU 69 Cb -0.03 -1.24 0.00 0.00 0.50 0.00 0.00 46.19 45.42 1kdm s LEU 69 CO -0.00 -0.01 0.00 0.61 -1.32 0.00 0.00 176.35 175.63 1kdm n GLY 70 N 4.50 4.62 3.49 7.98 0.00 -0.01 -0.32 105.19 125.45 1kdm n GLY 70 Ca -0.19 -1.53 -0.31 0.00 0.00 0.00 0.00 46.02 44.00 1kdm n GLY 70 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kdm s LEU 71 N 0.00 2.74 -0.12 0.99 1.43 0.31 -0.26 118.68 123.77 1kdm s LEU 71 Ca 0.00 -0.38 -0.05 0.00 -1.03 0.00 0.00 54.13 52.67 1kdm s LEU 71 Cb 0.00 -1.59 0.06 0.00 0.03 0.00 0.00 46.19 44.68 1kdm s LEU 71 CO 0.00 0.25 0.26 -0.60 0.23 0.00 0.00 176.35 176.50 1kdm s ARG 72 N -1.50 0.18 -1.35 1.70 3.52 -0.06 -1.63 118.95 119.81 1kdm s ARG 72 Ca 0.16 0.67 -0.07 0.00 -0.13 0.00 0.00 55.73 56.35 1kdm s ARG 72 Cb -0.11 -0.07 0.02 0.00 -1.56 0.00 0.00 34.95 33.24 1kdm s ARG 72 CO 0.06 -0.23 1.04 -0.25 -0.81 0.00 0.00 175.30 175.11 1kdm n ASP 73 N 4.87 -4.35 0.00 -2.12 8.00 -0.87 -1.53 116.55 120.55 1kdm n ASP 73 Ca -0.14 -0.65 0.00 0.00 0.71 0.00 0.00 54.79 54.71 1kdm n ASP 73 Cb 0.51 -4.69 0.00 0.00 -0.02 0.00 0.00 41.12 36.93 1kdm n ASP 73 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1kdm n GLY 74 N -1.68 0.09 3.50 0.44 0.00 -0.73 -4.88 105.19 101.92 1kdm n GLY 74 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 1kdm n GLY 74 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kdm s ARG 75 N -1.49 1.98 0.34 1.61 0.52 -0.58 0.25 118.95 121.58 1kdm s ARG 75 Ca 0.00 -1.06 -0.26 0.00 -0.52 0.00 0.00 55.73 53.89 1kdm s ARG 75 Cb 0.00 -2.19 -0.13 0.00 0.52 0.00 0.00 34.95 33.15 1kdm s ARG 75 CO 0.00 0.51 0.88 -2.30 0.02 0.00 0.00 175.30 174.41 1kdm n PRO 76 N 1.08 1.10 -3.80 3.54 -0.02 -1.25 -0.88 135.00 134.77 1kdm n PRO 76 Ca -0.15 0.39 -0.14 0.00 -2.02 0.00 0.00 63.50 61.58 1kdm n PRO 76 Cb 0.52 -1.76 -0.15 0.00 -0.02 0.00 0.00 33.50 32.09 1kdm n PRO 76 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1kdm s GLU 77 N -1.63 0.00 -0.12 -0.52 2.12 0.64 -2.15 118.70 117.04 1kdm s GLU 77 Ca 0.61 0.16 -0.00 0.00 0.36 0.00 0.00 54.97 56.10 1kdm s GLU 77 Cb -0.66 -0.15 -0.02 0.00 0.26 0.00 0.00 34.13 33.56 1kdm s GLU 77 CO 0.59 -0.11 -0.11 0.42 -0.54 0.00 0.00 175.26 175.51 1kdm s ILE 78 N 0.72 3.29 -0.04 -3.70 1.01 -0.01 -0.83 121.20 121.64 1kdm s ILE 78 Ca -0.06 -0.59 0.06 0.00 0.00 0.00 0.00 60.65 60.06 1kdm s ILE 78 Cb -0.08 -2.38 -0.01 0.00 0.01 0.00 0.00 42.46 39.99 1kdm s ILE 78 CO -0.02 0.53 -0.22 -1.10 0.00 0.00 0.00 174.94 174.13 1kdm s GLN 79 N 0.13 2.09 -0.15 2.79 -0.21 -0.52 -1.57 119.66 122.22 1kdm s GLN 79 Ca -0.05 -0.79 -0.14 0.00 0.02 0.00 0.00 55.36 54.40 1kdm s GLN 79 Cb -0.15 -1.86 0.04 0.00 1.00 0.00 0.00 33.01 32.04 1kdm s GLN 79 CO 0.04 0.39 0.40 -1.17 -2.12 0.00 0.00 175.29 172.83 1kdm s LEU 80 N -0.25 0.42 -0.05 2.90 0.20 -0.70 -0.34 118.68 120.86 1kdm s LEU 80 Ca 0.01 0.81 -0.02 0.00 0.69 0.00 0.00 54.13 55.63 1kdm s LEU 80 Cb -0.11 1.37 0.03 0.00 -0.43 0.00 0.00 46.19 47.05 1kdm s LEU 80 CO 0.02 -0.14 0.08 -2.28 -0.29 0.00 0.00 176.35 173.73 1kdm s HIS 81 N 0.32 -0.03 0.18 5.38 2.46 -0.53 -0.71 115.29 122.35 1kdm s HIS 81 Ca -0.01 0.32 -0.04 0.00 0.47 0.00 0.00 55.06 55.80 1kdm s HIS 81 Cb -0.03 -0.31 0.02 0.00 -0.13 0.00 0.00 32.58 32.12 1kdm s HIS 81 CO -0.01 -0.17 0.30 0.27 -2.47 0.00 0.00 174.74 172.66 1kdm n ASN 82 N 4.81 -0.86 0.24 9.88 0.23 -0.84 -0.86 115.26 127.86 1kdm n ASN 82 Ca -0.14 -1.82 0.08 0.00 -0.53 0.00 0.00 54.58 52.16 1kdm n ASN 82 Cb 0.50 1.49 0.58 0.00 -2.08 0.00 0.00 39.78 40.28 1kdm n ASN 82 CO 0.00 0.00 0.00 -0.74 -0.93 0.00 0.00 177.26 175.59 1kdm h HIS 83 N 1.47 0.00 0.00 -2.53 -0.00 -1.92 -3.26 115.15 108.91 1kdm h HIS 83 Ca -0.14 0.00 -0.30 0.00 -0.00 0.00 0.00 60.37 59.93 1kdm h HIS 83 Cb 0.57 0.00 -0.06 0.00 -0.00 0.00 0.00 27.41 27.92 1kdm h HIS 83 CO 0.00 0.16 -2.19 0.91 -0.00 0.00 0.00 177.93 176.81 1kdm n TRP 84 N -4.11 0.19 -3.80 5.26 8.01 -1.26 -5.02 117.44 116.71 1kdm n TRP 84 Ca -0.02 0.07 -0.12 0.00 -1.31 0.00 0.00 57.50 56.11 1kdm n TRP 84 Cb 0.24 -0.97 -0.10 0.00 -2.01 0.00 0.00 31.31 28.47 1kdm n TRP 84 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1kdm s ALA 85 N -2.66 -0.58 -0.15 6.99 0.00 -1.23 -4.91 121.76 119.21 1kdm s ALA 85 Ca -0.09 0.34 -0.03 0.00 0.00 0.00 0.00 51.96 52.18 1kdm s ALA 85 Cb 0.07 -0.11 0.05 0.00 0.00 0.00 0.00 23.12 23.14 1kdm s ALA 85 CO 0.84 -0.19 0.05 -0.65 0.00 0.00 0.00 175.76 175.81 1kdm s GLN 86 N -0.76 0.37 0.11 0.00 1.11 -1.26 -1.99 119.66 117.24 1kdm s GLN 86 Ca -0.09 -0.16 -0.22 0.00 0.01 0.00 0.00 55.36 54.91 1kdm s GLN 86 Cb -0.05 -1.71 0.06 0.00 -1.01 0.00 0.00 33.01 30.30 1kdm s GLN 86 CO 0.02 -0.58 0.54 -0.48 0.01 0.00 0.00 175.29 174.80 1kdm s LEU 87 N 2.00 -0.23 -0.21 2.90 0.05 0.11 -5.00 118.68 118.29 1kdm s LEU 87 Ca 0.01 0.02 -0.04 0.00 0.05 0.00 0.00 54.13 54.18 1kdm s LEU 87 Cb -0.16 2.30 0.07 0.00 -2.05 0.00 0.00 46.19 46.36 1kdm s LEU 87 CO -0.08 -0.85 0.09 -0.89 -0.55 0.00 0.00 176.35 174.07 1kdm s THR 88 N -3.25 0.06 -0.04 5.48 2.01 -1.26 -1.71 115.64 116.94 1kdm s THR 88 Ca -0.01 -0.45 0.01 0.00 0.31 0.00 0.00 61.69 61.55 1kdm s THR 88 Cb -0.00 -0.81 0.02 0.00 0.01 0.00 0.00 72.50 71.72 1kdm s THR 88 CO -0.08 -0.42 -0.04 -0.69 -0.69 0.00 0.00 174.62 172.71 1kdm s VAL 89 N 2.06 0.44 -0.13 3.82 1.01 -0.61 -5.02 120.40 121.97 1kdm s VAL 89 Ca 0.04 -0.09 -0.06 0.00 0.00 0.00 0.00 61.98 61.87 1kdm s VAL 89 Cb -0.16 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.70 1kdm s VAL 89 CO -0.18 0.20 0.09 -0.83 0.00 0.00 0.00 175.10 174.38 1kdm s GLY 90 N 0.82 2.03 0.05 4.51 0.00 -1.26 -0.83 107.32 112.64 1kdm s GLY 90 Ca -0.10 -0.71 -0.26 0.00 0.00 0.00 0.00 44.72 43.65 1kdm s GLY 90 CO -0.00 -0.32 0.61 0.00 0.00 0.00 0.00 173.10 173.39 1kdm s ALA 91 N -0.65 -1.59 0.00 3.20 0.00 -0.92 -5.02 121.76 116.79 1kdm s ALA 91 Ca 0.12 0.82 0.00 0.00 0.00 0.00 0.00 51.96 52.90 1kdm s ALA 91 Cb -0.12 0.43 0.00 0.00 0.00 0.00 0.00 23.12 23.43 1kdm s ALA 91 CO 0.02 -0.55 0.00 0.41 0.00 0.00 0.00 175.76 175.64 1kdm n GLY 92 N 0.30 -4.03 3.90 0.00 0.00 -1.26 -3.80 105.19 100.30 1kdm n GLY 92 Ca -0.18 -2.02 -0.29 0.00 0.00 0.00 0.00 46.02 43.53 1kdm n GLY 92 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1kdm s PRO 93 N -0.98 2.60 0.15 1.61 0.04 -1.26 -4.82 135.00 132.34 1kdm s PRO 93 Ca 0.00 0.22 -0.31 0.00 0.04 0.00 0.00 61.00 60.95 1kdm s PRO 93 Cb 0.00 -2.07 -0.09 0.00 0.04 0.00 0.00 34.50 32.38 1kdm s PRO 93 CO 0.00 -1.12 1.45 1.03 0.04 0.00 0.00 177.00 178.40 1kdm s ARG 94 N -5.33 4.29 0.00 4.56 0.52 -1.26 -4.32 118.95 117.41 1kdm s ARG 94 Ca 0.58 2.19 0.17 0.00 -0.52 0.00 0.00 55.73 58.15 1kdm s ARG 94 Cb -0.11 -3.20 -0.04 0.00 0.52 0.00 0.00 34.95 32.13 1kdm s ARG 94 CO 0.49 -0.48 0.84 1.28 0.02 0.00 0.00 175.30 177.46 1kdm n LEU 95 N 3.71 1.50 -2.05 2.53 4.77 0.14 -4.74 117.00 122.86 1kdm n LEU 95 Ca 0.11 -0.72 -0.14 0.00 -0.03 0.00 0.00 56.01 55.24 1kdm n LEU 95 Cb 0.41 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.35 1kdm n LEU 95 CO 0.60 0.29 1.59 -0.90 -1.33 0.00 0.00 177.39 177.64 1kdm n ASP 96 N -0.34 5.43 -0.56 -1.43 5.75 -1.22 -4.38 116.55 119.79 1kdm n ASP 96 Ca 0.06 -2.58 0.08 0.00 -0.01 0.00 0.00 54.79 52.33 1kdm n ASP 96 Cb 0.33 -1.38 0.19 0.00 -1.03 0.00 0.00 41.12 39.23 1kdm n ASP 96 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1kdm n ASP 97 N 2.22 3.16 -1.03 -1.12 5.68 -1.15 -4.53 116.55 119.77 1kdm n ASP 97 Ca 0.42 -2.74 -0.13 0.00 -0.50 0.00 0.00 54.79 51.83 1kdm n ASP 97 Cb 0.85 -0.40 -0.06 0.00 -1.14 0.00 0.00 41.12 40.37 1kdm n ASP 97 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1kdm n GLY 98 N -0.54 1.36 3.63 6.12 0.00 -0.44 -5.00 105.19 110.32 1kdm n GLY 98 Ca 0.16 -0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 1kdm n GLY 98 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kdm s ARG 99 N -3.05 2.32 0.27 1.61 0.52 -1.26 -4.78 118.95 114.58 1kdm s ARG 99 Ca 0.00 -0.95 -0.30 0.00 -0.52 0.00 0.00 55.73 53.96 1kdm s ARG 99 Cb 0.00 -2.41 -0.10 0.00 0.52 0.00 0.00 34.95 32.96 1kdm s ARG 99 CO 0.00 0.52 1.43 -1.58 0.02 0.00 0.00 175.30 175.69 1kdm s TRP 100 N -1.28 2.98 -0.01 -0.53 0.52 -1.26 -4.41 118.94 114.95 1kdm s TRP 100 Ca 0.24 1.09 0.06 0.00 0.02 0.00 0.00 56.10 57.51 1kdm s TRP 100 Cb -0.11 -3.82 -0.02 0.00 -1.15 0.00 0.00 33.47 28.37 1kdm s TRP 100 CO 0.16 -2.60 -0.20 -1.01 0.02 0.00 0.00 176.95 173.32 1kdm s HIS 101 N -0.28 1.74 -0.07 -1.98 3.76 0.77 -4.93 115.29 114.31 1kdm s HIS 101 Ca 0.57 -0.33 -0.22 0.00 -0.15 0.00 0.00 55.06 54.93 1kdm s HIS 101 Cb -0.42 -1.11 -0.04 0.00 1.11 0.00 0.00 32.58 32.12 1kdm s HIS 101 CO 0.47 -0.02 0.66 -1.14 -0.85 0.00 0.00 174.74 173.85 1kdm s GLN 102 N -0.53 4.42 -0.02 1.40 0.74 -1.26 -1.09 119.66 123.31 1kdm s GLN 102 Ca 0.07 0.80 0.05 0.00 0.05 0.00 0.00 55.36 56.33 1kdm s GLN 102 Cb -0.08 -3.44 -0.01 0.00 1.10 0.00 0.00 33.01 30.58 1kdm s GLN 102 CO -0.00 0.09 -0.17 0.08 -0.55 0.00 0.00 175.29 174.74 1kdm s VAL 103 N 0.73 1.37 -0.05 1.34 1.01 -0.41 0.12 120.40 124.50 1kdm s VAL 103 Ca 0.35 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.62 1kdm s VAL 103 Cb -0.17 -1.15 0.02 0.00 0.00 0.00 0.00 36.38 35.08 1kdm s VAL 103 CO 0.17 0.39 -0.05 -1.61 0.00 0.00 0.00 175.10 173.99 1kdm s GLU 104 N -0.24 0.95 -0.21 2.72 2.02 0.45 -1.81 118.70 122.58 1kdm s GLU 104 Ca 0.03 -0.14 -0.04 0.00 0.02 0.00 0.00 54.97 54.84 1kdm s GLU 104 Cb -0.08 -0.94 -0.01 0.00 0.10 0.00 0.00 34.13 33.19 1kdm s GLU 104 CO 0.00 -0.09 -0.04 0.08 0.02 0.00 0.00 175.26 175.24 1kdm s VAL 105 N 0.97 3.50 0.02 2.63 1.01 -0.67 0.30 120.40 128.15 1kdm s VAL 105 Ca -0.10 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 61.46 1kdm s VAL 105 Cb -0.14 -2.58 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 1kdm s VAL 105 CO -0.00 0.43 -0.12 -0.54 0.00 0.00 0.00 175.10 174.87 1kdm s LYS 106 N 1.25 0.85 -0.21 2.72 1.02 -0.24 -1.28 119.74 123.85 1kdm s LYS 106 Ca 0.03 -0.59 -0.06 0.00 0.02 0.00 0.00 55.97 55.37 1kdm s LYS 106 Cb -0.14 -0.82 -0.03 0.00 -0.52 0.00 0.00 37.83 36.32 1kdm s LYS 106 CO -0.01 0.21 0.03 1.41 -0.92 0.00 0.00 175.35 176.07 1kdm s MET 107 N -0.81 3.69 -0.25 1.68 -2.45 0.36 0.65 119.30 122.18 1kdm s MET 107 Ca 0.01 -0.48 -0.04 0.00 -1.25 0.00 0.00 55.69 53.94 1kdm s MET 107 Cb -0.06 -3.16 0.08 0.00 1.25 0.00 0.00 34.83 32.94 1kdm s MET 107 CO 0.00 0.01 0.10 -2.00 1.05 0.00 0.00 175.02 174.18 1kdm s GLU 108 N 1.05 0.28 7.61 4.11 2.12 0.17 -4.77 118.70 129.26 1kdm s GLU 108 Ca 0.03 -0.46 0.00 0.00 0.36 0.00 0.00 54.97 54.90 1kdm s GLU 108 Cb -0.14 -1.58 0.00 0.00 0.26 0.00 0.00 34.13 32.67 1kdm s GLU 108 CO 0.02 -0.87 0.00 0.41 -0.54 0.00 0.00 175.26 174.29 1kdm n GLY 109 N 5.18 2.94 1.19 -1.50 0.00 -1.26 -1.68 105.19 110.07 1kdm n GLY 109 Ca -0.06 -0.21 0.10 0.00 0.00 0.00 0.00 46.02 45.85 1kdm n GLY 109 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1kdm n ASP 110 N 7.41 3.47 -4.73 1.61 3.85 -1.26 -4.88 116.55 122.02 1kdm n ASP 110 Ca 0.00 -2.04 -0.32 0.00 -0.71 0.00 0.00 54.79 51.72 1kdm n ASP 110 Cb 0.00 -0.43 -0.08 0.00 -1.35 0.00 0.00 41.12 39.26 1kdm n ASP 110 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.20 175.75 1kdm s SER 111 N -0.98 5.35 -0.19 -1.12 0.01 -0.67 -0.69 113.70 115.41 1kdm s SER 111 Ca 0.43 0.03 -0.02 0.00 1.31 0.00 0.00 55.95 57.69 1kdm s SER 111 Cb 0.23 -1.44 -0.01 0.00 0.21 0.00 0.00 66.02 65.01 1kdm s SER 111 CO 0.28 0.26 -0.09 -0.69 0.41 0.00 0.00 173.24 173.41 1kdm s VAL 112 N -1.18 3.15 -0.04 3.43 1.01 -0.14 -0.66 120.40 125.97 1kdm s VAL 112 Ca 0.22 -0.59 -0.03 0.00 0.00 0.00 0.00 61.98 61.59 1kdm s VAL 112 Cb -0.12 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 1kdm s VAL 112 CO 0.13 0.47 0.10 -0.76 0.00 0.00 0.00 175.10 175.04 1kdm s LEU 113 N 1.08 4.04 -0.20 3.92 1.02 0.21 -0.86 118.68 127.89 1kdm s LEU 113 Ca 0.00 0.25 0.01 0.00 0.02 0.00 0.00 54.13 54.42 1kdm s LEU 113 Cb -0.15 -2.21 0.03 0.00 0.02 0.00 0.00 46.19 43.88 1kdm s LEU 113 CO -0.02 0.32 -0.17 -0.22 0.02 0.00 0.00 176.35 176.28 1kdm s LEU 114 N -1.47 2.48 -0.12 1.79 2.96 0.49 -1.08 118.68 123.73 1kdm s LEU 114 Ca 0.20 -0.81 -0.04 0.00 -0.22 0.00 0.00 54.13 53.26 1kdm s LEU 114 Cb -0.12 -1.51 -0.04 0.00 0.50 0.00 0.00 46.19 45.03 1kdm s LEU 114 CO 0.11 -0.05 0.03 -1.61 -1.32 0.00 0.00 176.35 173.51 1kdm s GLU 115 N 1.26 3.30 -0.08 1.98 2.02 0.15 -2.40 118.70 124.92 1kdm s GLU 115 Ca 0.02 -0.36 0.01 0.00 0.02 0.00 0.00 54.97 54.66 1kdm s GLU 115 Cb -0.15 -2.94 0.02 0.00 0.10 0.00 0.00 34.13 31.16 1kdm s GLU 115 CO -0.11 0.60 -0.10 0.08 0.02 0.00 0.00 175.26 175.75 1kdm s VAL 116 N -0.56 1.02 -1.49 2.63 1.01 0.23 -0.41 120.40 122.82 1kdm s VAL 116 Ca 0.10 -0.37 -0.08 0.00 0.00 0.00 0.00 61.98 61.64 1kdm s VAL 116 Cb -0.12 -0.98 0.06 0.00 0.00 0.00 0.00 36.38 35.34 1kdm s VAL 116 CO 0.02 0.34 0.69 0.47 0.00 0.00 0.00 175.10 176.62 1kdm n ASP 117 N 4.24 -2.21 0.00 3.32 10.43 0.32 -1.24 116.55 131.41 1kdm n ASP 117 Ca -0.19 -0.92 0.00 0.00 2.57 0.00 0.00 54.79 56.24 1kdm n ASP 117 Cb 0.51 -3.36 0.00 0.00 1.84 0.00 0.00 41.12 40.11 1kdm n ASP 117 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1kdm n GLY 118 N -1.71 1.65 3.61 0.44 0.00 -1.26 -4.99 105.19 102.93 1kdm n GLY 118 Ca -0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 1kdm n GLY 118 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1kdm s GLU 119 N -0.06 2.80 -0.27 1.61 2.02 -0.37 -5.08 118.70 119.34 1kdm s GLU 119 Ca 0.00 -0.52 -0.29 0.00 0.02 0.00 0.00 54.97 54.18 1kdm s GLU 119 Cb 0.00 -2.64 -0.01 0.00 0.10 0.00 0.00 34.13 31.58 1kdm s GLU 119 CO 0.00 0.67 1.41 -2.00 0.02 0.00 0.00 175.26 175.37 1kdm s GLU 120 N -0.86 3.87 -0.01 1.61 2.12 -1.26 -0.60 118.70 123.56 1kdm s GLU 120 Ca 0.13 1.39 0.06 0.00 0.36 0.00 0.00 54.97 56.91 1kdm s GLU 120 Cb -0.11 -3.94 -0.09 0.00 0.26 0.00 0.00 34.13 30.26 1kdm s GLU 120 CO 0.02 -1.19 0.18 1.33 -0.54 0.00 0.00 175.26 175.06 1kdm n VAL 121 N 6.29 0.00 -3.64 3.70 0.24 -1.01 -4.97 118.33 118.95 1kdm n VAL 121 Ca 0.16 -0.22 -0.13 0.00 -2.04 0.00 0.00 64.34 62.11 1kdm n VAL 121 Cb 0.46 0.59 -0.07 0.00 -1.47 0.00 0.00 33.84 33.35 1kdm n VAL 121 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1kdm s LEU 122 N -3.01 -0.70 -0.27 1.34 2.96 -1.20 -4.43 118.68 113.37 1kdm s LEU 122 Ca -0.01 1.41 -0.03 0.00 -0.22 0.00 0.00 54.13 55.29 1kdm s LEU 122 Cb 0.04 2.37 0.09 0.00 0.50 0.00 0.00 46.19 49.20 1kdm s LEU 122 CO 0.26 -0.24 0.11 -0.60 -1.32 0.00 0.00 176.35 174.55 1kdm s ARG 123 N 0.59 0.37 -0.52 1.98 3.52 -1.26 -0.38 118.95 123.24 1kdm s ARG 123 Ca -0.02 -0.62 -0.26 0.00 -0.13 0.00 0.00 55.73 54.70 1kdm s ARG 123 Cb -0.05 -1.56 0.03 0.00 -1.56 0.00 0.00 34.95 31.81 1kdm s ARG 123 CO -0.03 -0.93 1.05 -0.51 -0.81 0.00 0.00 175.30 174.07 1kdm s LEU 124 N 1.94 3.80 0.31 -0.88 1.43 -0.04 -4.94 118.68 120.31 1kdm s LEU 124 Ca 0.07 0.04 -0.09 0.00 -1.03 0.00 0.00 54.13 53.12 1kdm s LEU 124 Cb -0.16 -3.14 -0.07 0.00 0.03 0.00 0.00 46.19 42.84 1kdm s LEU 124 CO -0.28 -1.26 0.64 -0.13 0.23 0.00 0.00 176.35 175.55 1kdm s ARG 125 N 4.29 3.78 -1.39 1.70 0.52 -1.26 -0.97 118.95 125.62 1kdm s ARG 125 Ca 0.39 0.31 -0.07 0.00 -0.52 0.00 0.00 55.73 55.84 1kdm s ARG 125 Cb -0.09 -2.54 0.03 0.00 0.52 0.00 0.00 34.95 32.87 1kdm s ARG 125 CO 0.25 0.17 0.92 1.04 0.02 0.00 0.00 175.30 177.70 1kdm n GLN 126 N -0.72 -5.85 0.00 3.54 6.02 -1.08 -4.86 117.38 114.44 1kdm n GLN 126 Ca 0.01 0.67 0.05 0.00 -0.01 0.00 0.00 57.00 57.72 1kdm n GLN 126 Cb 0.53 -5.49 -0.01 0.00 1.02 0.00 0.00 30.24 26.30 1kdm n GLN 126 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1kdm n VAL 127 N -4.53 0.00 -3.65 5.09 0.24 0.14 -4.81 118.33 110.79 1kdm n VAL 127 Ca -0.12 -0.38 -0.15 0.00 -2.04 0.00 0.00 64.34 61.65 1kdm n VAL 127 Cb 0.60 1.10 -0.08 0.00 -1.47 0.00 0.00 33.84 33.99 1kdm n VAL 127 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1kdm s SER 128 N -1.42 -0.48 0.57 -1.34 0.15 -0.91 -4.31 113.70 105.97 1kdm s SER 128 Ca 0.08 0.64 -0.01 0.00 0.70 0.00 0.00 55.95 57.36 1kdm s SER 128 Cb 0.08 0.66 0.02 0.00 -1.71 0.00 0.00 66.02 65.07 1kdm s SER 128 CO 0.27 -0.41 0.13 0.61 1.20 0.00 0.00 173.24 175.03 1kdm n GLY 129 N 1.67 0.26 3.78 9.45 0.00 -1.26 -4.34 105.19 114.75 1kdm n GLY 129 Ca -0.18 -1.89 -0.41 0.00 0.00 0.00 0.00 46.02 43.54 1kdm n GLY 129 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1kdm s PRO 130 N -2.88 4.06 0.00 1.61 0.02 -1.26 -4.96 135.00 131.60 1kdm s PRO 130 Ca 0.08 2.56 0.00 0.00 0.02 0.00 0.00 61.00 63.67 1kdm s PRO 130 Cb -0.00 -2.94 0.00 0.00 0.02 0.00 0.00 34.50 31.58 1kdm s PRO 130 CO 0.06 -0.57 0.66 1.28 -0.33 0.00 0.00 177.00 178.10 1kdm n LEU 131 N 0.39 0.05 0.00 -5.54 4.32 -1.26 -3.90 117.00 111.06 1kdm n LEU 131 Ca 0.01 0.81 0.00 0.00 -0.02 0.00 0.00 56.01 56.82 1kdm n LEU 131 Cb 0.39 -0.47 0.00 0.00 -1.62 0.00 0.00 43.42 41.72 1kdm n LEU 131 CO 0.63 -0.47 0.00 0.35 -1.22 0.00 0.00 177.39 176.68 1kdm n THR 132 N -1.92 0.00 -1.94 -5.08 -2.24 -1.26 0.12 114.28 101.97 1kdm n THR 132 Ca 0.00 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.42 1kdm n THR 132 Cb 0.00 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1kdm n THR 132 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1kdm n SER 133 N -3.39 7.27 -4.68 3.42 3.41 -1.25 -4.66 113.62 113.74 1kdm n SER 133 Ca 0.00 -3.48 -0.31 0.00 -0.26 0.00 0.00 58.87 54.82 1kdm n SER 133 Cb 0.00 -1.19 -0.08 0.00 -0.26 0.00 0.00 64.21 62.67 1kdm n SER 133 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1kdm s LYS 134 N -2.84 2.67 -0.87 4.33 2.20 0.33 -4.83 119.74 120.73 1kdm s LYS 134 Ca 0.52 -0.72 -0.26 0.00 -0.36 0.00 0.00 55.97 55.15 1kdm s LYS 134 Cb 0.33 -2.61 -0.22 0.00 -1.51 0.00 0.00 37.83 33.82 1kdm s LYS 134 CO -0.24 0.58 1.95 0.54 -0.36 0.00 0.00 175.35 177.82 1kdm n ARG 135 N 0.98 0.60 0.00 4.03 1.74 -1.26 -4.14 116.66 118.61 1kdm n ARG 135 Ca -0.13 -1.78 0.00 0.00 -0.77 0.00 0.00 57.85 55.18 1kdm n ARG 135 Cb 0.52 -3.51 0.00 0.00 -1.02 0.00 0.00 32.46 28.46 1kdm n ARG 135 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 1kdm n HIS 136 N 15.19 0.00 0.06 -1.55 -0.00 -1.26 -4.97 115.22 122.69 1kdm n HIS 136 Ca 0.44 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 58.15 1kdm n HIS 136 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.45 1kdm n HIS 136 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1kdm n PRO 137 N 0.93 1.04 -4.08 1.57 -0.04 -1.26 -4.74 135.00 128.42 1kdm n PRO 137 Ca 0.00 -0.08 -0.24 0.00 -0.04 0.00 0.00 63.50 63.14 1kdm n PRO 137 Cb 0.00 -1.03 -0.17 0.00 -0.04 0.00 0.00 33.50 32.26 1kdm n PRO 137 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1kdm s ILE 138 N -0.11 0.84 -0.05 0.52 -1.09 -1.26 -0.93 121.20 119.12 1kdm s ILE 138 Ca 0.02 -0.23 0.03 0.00 -2.23 0.00 0.00 60.65 58.24 1kdm s ILE 138 Cb 0.01 -0.86 -0.03 0.00 -1.58 0.00 0.00 42.46 40.00 1kdm s ILE 138 CO 0.00 0.32 -0.14 -0.32 -1.23 0.00 0.00 174.94 173.57 1kdm s MET 139 N 1.37 2.55 0.00 2.79 -2.45 -0.88 -4.34 119.30 118.35 1kdm s MET 139 Ca -0.02 -0.69 0.00 0.00 -1.25 0.00 0.00 55.69 53.73 1kdm s MET 139 Cb -0.14 -2.40 -0.04 0.00 1.25 0.00 0.00 34.83 33.51 1kdm s MET 139 CO -0.03 0.60 0.06 1.03 1.05 0.00 0.00 175.02 177.73 1kdm s ARG 140 N -0.68 2.97 -0.13 4.11 0.52 0.15 -0.87 118.95 125.00 1kdm s ARG 140 Ca 0.10 -0.54 0.00 0.00 -0.52 0.00 0.00 55.73 54.77 1kdm s ARG 140 Cb -0.11 -2.79 0.02 0.00 0.52 0.00 0.00 34.95 32.59 1kdm s ARG 140 CO 0.01 0.63 -0.11 0.42 0.02 0.00 0.00 175.30 176.27 1kdm s ILE 141 N -1.18 1.35 -0.10 1.52 -1.09 0.27 -1.60 121.20 120.36 1kdm s ILE 141 Ca 0.22 -0.49 0.01 0.00 -2.23 0.00 0.00 60.65 58.16 1kdm s ILE 141 Cb -0.12 -1.30 -0.02 0.00 -1.58 0.00 0.00 42.46 39.44 1kdm s ILE 141 CO 0.14 0.42 -0.12 0.00 -1.23 0.00 0.00 174.94 174.15 1kdm s ALA 142 N 1.58 2.71 -0.16 9.38 0.00 0.18 0.31 121.76 135.76 1kdm s ALA 142 Ca 0.05 -0.90 -0.12 0.00 0.00 0.00 0.00 51.96 50.99 1kdm s ALA 142 Cb -0.13 -1.19 -0.05 0.00 0.00 0.00 0.00 23.12 21.76 1kdm s ALA 142 CO -0.10 0.37 0.22 -0.51 0.00 0.00 0.00 175.76 175.74 1kdm s LEU 143 N -0.07 4.26 0.00 0.00 1.43 -0.60 -1.30 118.68 122.40 1kdm s LEU 143 Ca -0.02 0.43 0.00 0.00 -1.03 0.00 0.00 54.13 53.52 1kdm s LEU 143 Cb -0.14 -2.25 0.00 0.00 0.03 0.00 0.00 46.19 43.83 1kdm s LEU 143 CO 0.04 0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.41 1kdm n GLY 144 N 3.16 0.46 2.54 -3.19 0.00 -0.30 -1.00 105.19 106.85 1kdm n GLY 144 Ca -0.14 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.88 1kdm n GLY 144 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kdm n GLY 145 N -1.98 0.49 3.98 -0.02 0.00 -1.26 -4.53 105.19 101.87 1kdm n GLY 145 Ca 0.00 -1.00 -0.20 0.00 0.00 0.00 0.00 46.02 44.82 1kdm n GLY 145 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kdm s LEU 146 N 0.00 3.32 -0.26 0.99 1.43 -1.26 -4.22 118.68 118.68 1kdm s LEU 146 Ca 0.18 -0.08 0.12 0.00 -1.03 0.00 0.00 54.13 53.32 1kdm s LEU 146 Cb -0.01 -2.82 0.54 0.00 0.03 0.00 0.00 46.19 43.93 1kdm s LEU 146 CO 0.01 -1.10 1.49 0.18 0.23 0.00 0.00 176.35 177.15 1kdm n LEU 147 N -2.28 4.27 -3.72 1.79 4.77 -1.26 -4.33 117.00 116.24 1kdm n LEU 147 Ca 0.08 -3.42 -0.10 0.00 -0.03 0.00 0.00 56.01 52.54 1kdm n LEU 147 Cb 0.60 -0.61 -0.06 0.00 -2.33 0.00 0.00 43.42 41.01 1kdm n LEU 147 CO 0.44 0.98 0.06 0.72 -1.33 0.00 0.00 177.39 178.26 1kdm s PHE 148 N -3.07 -0.09 0.43 -1.77 -0.00 -1.26 -4.95 117.98 107.27 1kdm s PHE 148 Ca 0.45 -0.19 -0.25 0.00 -0.00 0.00 0.00 56.93 56.94 1kdm s PHE 148 Cb 0.38 0.13 -0.08 0.00 -0.00 0.00 0.00 43.02 43.46 1kdm s PHE 148 CO 0.05 -0.60 1.26 -2.14 -0.00 0.00 0.00 175.22 173.79 1kdm s PRO 149 N -3.42 3.86 0.40 1.99 0.02 -1.26 -4.93 135.00 131.66 1kdm s PRO 149 Ca 0.01 2.04 0.17 0.00 0.02 0.00 0.00 61.00 63.24 1kdm s PRO 149 Cb 0.02 -2.63 1.06 0.00 0.02 0.00 0.00 34.50 32.97 1kdm s PRO 149 CO -0.09 -0.54 1.81 0.00 -0.33 0.00 0.00 177.00 177.85 1kdm h ALA 150 N 2.44 2.18 0.00 -1.55 0.00 -1.98 0.96 119.26 121.31 1kdm h ALA 150 Ca -0.50 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1kdm h ALA 150 Cb 1.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1kdm h ALA 150 CO 0.62 -0.52 0.00 0.66 0.00 0.00 0.00 179.25 180.00 1kdm h SER 151 N 0.43 0.00 0.61 0.00 4.64 -1.91 -0.51 113.55 116.81 1kdm h SER 151 Ca 0.53 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.85 1kdm h SER 151 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1kdm h SER 151 CO -0.24 0.00 -0.26 0.59 -0.87 0.00 0.00 176.83 176.05 1kdm n ASN 152 N -2.82 0.37 -4.63 4.97 5.03 0.33 -4.88 115.26 113.64 1kdm n ASN 152 Ca -0.02 -0.12 -0.33 0.00 0.87 0.00 0.00 54.58 54.97 1kdm n ASN 152 Cb 0.07 -0.05 0.13 0.00 -1.02 0.00 0.00 39.78 38.90 1kdm n ASN 152 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1kdm n LEU 153 N -1.34 3.26 -0.35 3.41 4.77 -0.20 -4.92 117.00 121.63 1kdm n LEU 153 Ca 0.08 0.53 0.04 0.00 -0.03 0.00 0.00 56.01 56.63 1kdm n LEU 153 Cb 0.33 -1.43 0.19 0.00 -2.33 0.00 0.00 43.42 40.18 1kdm n LEU 153 CO 0.30 -2.17 1.23 0.03 -1.33 0.00 0.00 177.39 175.45 1kdm h ARG 154 N -1.07 1.01 -3.19 3.23 3.08 -1.90 -3.37 114.38 112.17 1kdm h ARG 154 Ca -0.45 -0.06 -0.53 0.00 0.07 0.00 0.00 59.98 59.00 1kdm h ARG 154 Cb 1.30 -0.23 -0.40 0.00 0.08 0.00 0.00 29.97 30.72 1kdm h ARG 154 CO 0.43 0.67 -0.77 -1.17 -1.07 0.00 0.00 179.97 178.07 1kdm s LEU 155 N -10.21 1.14 0.53 3.04 2.96 -1.26 -5.13 118.68 109.75 1kdm s LEU 155 Ca -0.12 -1.22 -0.22 0.00 -0.22 0.00 0.00 54.13 52.35 1kdm s LEU 155 Cb 0.21 -0.54 -0.06 0.00 0.50 0.00 0.00 46.19 46.30 1kdm s LEU 155 CO 0.81 -0.40 1.18 -2.65 -1.32 0.00 0.00 176.35 173.97 1kdm n PRO 156 N 5.10 1.43 -3.95 0.98 -0.02 -1.26 -5.04 135.00 132.24 1kdm n PRO 156 Ca -0.06 0.53 -0.09 0.00 -2.02 0.00 0.00 63.50 61.86 1kdm n PRO 156 Cb 0.44 -2.34 -0.09 0.00 -0.02 0.00 0.00 33.50 31.48 1kdm n PRO 156 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 1kdm s LEU 157 N -2.33 1.86 -0.50 2.45 0.05 -1.26 -5.11 118.68 113.84 1kdm s LEU 157 Ca 0.70 -0.65 -0.28 0.00 0.05 0.00 0.00 54.13 53.95 1kdm s LEU 157 Cb -0.45 0.61 0.03 0.00 -2.05 0.00 0.00 46.19 44.33 1kdm s LEU 157 CO 0.51 -0.57 1.12 -0.69 -0.55 0.00 0.00 176.35 176.16 1kdm s VAL 158 N -3.13 4.20 0.43 1.48 1.01 -1.26 -4.88 120.40 118.24 1kdm s VAL 158 Ca -0.01 1.05 0.17 0.00 0.00 0.00 0.00 61.98 63.20 1kdm s VAL 158 Cb 0.02 -4.61 0.37 0.00 0.00 0.00 0.00 36.38 32.16 1kdm s VAL 158 CO -0.07 -1.08 1.89 -0.65 0.00 0.00 0.00 175.10 175.19 1kdm h PRO 159 N 9.29 0.39 -6.54 2.72 0.11 -1.94 -3.35 132.00 132.68 1kdm h PRO 159 Ca -0.24 -0.02 -0.52 0.00 0.11 0.00 0.00 66.00 65.32 1kdm h PRO 159 Cb 1.06 -0.09 0.04 0.00 0.11 0.00 0.00 31.00 32.13 1kdm h PRO 159 CO 1.13 0.26 1.08 0.00 -0.21 0.00 0.00 178.00 180.26 1kdm s ALA 160 N -5.41 3.80 -0.26 -0.75 0.00 -1.26 0.13 121.76 118.01 1kdm s ALA 160 Ca -0.08 1.47 0.02 0.00 0.00 0.00 0.00 51.96 53.37 1kdm s ALA 160 Cb 0.22 -3.74 0.06 0.00 0.00 0.00 0.00 23.12 19.66 1kdm s ALA 160 CO 0.77 -1.14 -0.07 -1.17 0.00 0.00 0.00 175.76 174.15 1kdm s LEU 161 N 2.35 3.16 -1.05 0.00 1.98 -1.26 -4.35 118.68 119.51 1kdm s LEU 161 Ca 0.79 -1.37 -0.20 0.00 -2.89 0.00 0.00 54.13 50.46 1kdm s LEU 161 Cb -0.46 -1.39 0.09 0.00 0.66 0.00 0.00 46.19 45.09 1kdm s LEU 161 CO 0.35 -0.23 1.38 -0.62 -1.89 0.00 0.00 176.35 175.34 1kdm s ASP 162 N 1.22 6.65 0.18 3.68 -1.08 -1.26 -3.19 116.67 122.87 1kdm s ASP 162 Ca -0.06 -1.96 -0.04 0.00 -0.52 0.00 0.00 52.55 49.97 1kdm s ASP 162 Cb -0.19 -2.49 0.01 0.00 -1.46 0.00 0.00 42.92 38.79 1kdm s ASP 162 CO -0.06 -1.23 0.30 0.61 0.52 0.00 0.00 175.17 175.31 1kdm n GLY 163 N 5.90 2.14 3.21 2.66 0.00 -1.26 -4.33 105.19 113.52 1kdm n GLY 163 Ca 0.33 -1.34 -0.19 0.00 0.00 0.00 0.00 46.02 44.82 1kdm n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kdm s LEU 165 N -2.08 2.03 0.27 0.00 2.96 0.06 -2.13 118.68 119.79 1kdm s LEU 165 Ca 0.04 -0.06 -0.14 0.00 -0.22 0.00 0.00 54.13 53.75 1kdm s LEU 165 Cb -0.08 -0.02 0.00 0.00 0.50 0.00 0.00 46.19 46.60 1kdm s LEU 165 CO 0.03 -0.02 0.54 0.00 -1.32 0.00 0.00 176.35 175.58 1kdm s ARG 166 N -0.16 1.66 -1.51 1.98 1.70 -1.00 0.08 118.95 121.70 1kdm s ARG 166 Ca -0.01 -1.25 -0.09 0.00 -0.47 0.00 0.00 55.73 53.90 1kdm s ARG 166 Cb -0.01 0.51 0.07 0.00 -0.57 0.00 0.00 34.95 34.94 1kdm s ARG 166 CO -0.00 -0.71 0.72 0.54 -1.08 0.00 0.00 175.30 174.77 1kdm n ARG 167 N -0.42 -4.12 -3.97 3.89 1.74 -1.26 -1.23 116.66 111.28 1kdm n ARG 167 Ca -0.02 0.48 -0.33 0.00 -0.77 0.00 0.00 57.85 57.21 1kdm n ARG 167 Cb 0.61 -5.05 -0.05 0.00 -1.02 0.00 0.00 32.46 26.94 1kdm n ARG 167 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 1kdm s ASP 168 N -3.76 6.11 -0.20 0.55 1.47 -1.26 -3.94 116.67 115.64 1kdm s ASP 168 Ca 0.40 0.25 -0.07 0.00 1.18 0.00 0.00 52.55 54.31 1kdm s ASP 168 Cb -0.21 -1.85 0.09 0.00 -0.34 0.00 0.00 42.92 40.61 1kdm s ASP 168 CO 0.87 0.24 0.44 -0.55 0.68 0.00 0.00 175.17 176.85 1kdm s SER 169 N -2.01 -0.35 -0.19 2.11 0.15 -0.31 -4.98 113.70 108.12 1kdm s SER 169 Ca 0.27 1.03 -0.03 0.00 0.70 0.00 0.00 55.95 57.93 1kdm s SER 169 Cb -0.12 1.35 -0.01 0.00 -1.71 0.00 0.00 66.02 65.53 1kdm s SER 169 CO 0.19 -0.23 -0.07 0.26 1.20 0.00 0.00 173.24 174.59 1kdm s TRP 170 N 2.49 2.92 0.00 3.44 0.52 -1.26 -1.19 118.94 125.85 1kdm s TRP 170 Ca -0.03 -0.84 0.00 0.00 0.02 0.00 0.00 56.10 55.25 1kdm s TRP 170 Cb -0.12 -2.01 0.00 0.00 -1.15 0.00 0.00 33.47 30.19 1kdm s TRP 170 CO -0.13 -0.43 0.00 1.28 0.02 0.00 0.00 176.95 177.69 1kdm n LEU 171 N 4.33 0.00 -4.16 2.99 4.77 -0.41 -4.27 117.00 120.25 1kdm n LEU 171 Ca -0.18 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.46 1kdm n LEU 171 Cb 0.51 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.46 1kdm n LEU 171 CO 0.30 0.00 -0.45 -0.62 -1.33 0.00 0.00 177.39 175.29 1kdm s ASP 172 N -4.00 4.03 0.25 -1.43 2.15 -1.23 -4.72 116.67 111.73 1kdm s ASP 172 Ca 0.00 -0.89 -0.03 0.00 0.43 0.00 0.00 52.55 52.06 1kdm s ASP 172 Cb 0.00 -1.60 0.41 0.00 -0.30 0.00 0.00 42.92 41.43 1kdm s ASP 172 CO 0.00 -0.10 1.84 0.50 -0.17 0.00 0.00 175.17 177.24 1kdm h LYS 173 N 7.95 0.94 0.00 4.34 3.11 -1.95 -1.34 116.57 129.63 1kdm h LYS 173 Ca -0.34 -0.06 -0.00 0.00 -2.81 0.00 0.00 60.65 57.44 1kdm h LYS 173 Cb 1.11 -0.21 -0.00 0.00 -1.00 0.00 0.00 32.23 32.12 1kdm h LYS 173 CO 0.57 0.62 -0.01 1.96 -2.81 0.00 0.00 179.45 179.79 1kdm h GLN 174 N 0.97 0.00 -0.66 1.90 1.08 -1.94 -2.18 115.11 114.27 1kdm h GLN 174 Ca 0.42 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.62 1kdm h GLN 174 Cb 0.28 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.71 1kdm h GLN 174 CO -0.21 0.01 0.00 0.00 -0.95 0.00 0.00 178.83 177.68 1kdm n ALA 175 N -2.11 2.88 -2.64 3.87 0.00 -0.51 -5.01 120.51 116.99 1kdm n ALA 175 Ca -0.02 -1.53 -0.42 0.00 0.00 0.00 0.00 53.44 51.47 1kdm n ALA 175 Cb 0.12 -0.97 -0.04 0.00 0.00 0.00 0.00 19.45 18.56 1kdm n ALA 175 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1kdm s GLU 176 N -1.62 4.17 -0.09 0.00 2.12 -0.82 0.05 118.70 122.50 1kdm s GLU 176 Ca 0.50 0.91 -0.18 0.00 0.36 0.00 0.00 54.97 56.56 1kdm s GLU 176 Cb 0.31 -3.65 -0.28 0.00 0.26 0.00 0.00 34.13 30.77 1kdm s GLU 176 CO 0.27 -0.52 0.66 0.82 -0.54 0.00 0.00 175.26 175.94 1kdm h ILE 177 N 5.44 1.20 -3.93 -3.70 1.08 -0.17 -3.47 117.51 113.96 1kdm h ILE 177 Ca -0.23 -2.44 -0.12 0.00 -0.39 0.00 0.00 64.86 61.68 1kdm h ILE 177 Cb 1.09 2.87 -0.17 0.00 -3.07 0.00 0.00 36.82 37.55 1kdm h ILE 177 CO 0.87 0.69 -0.55 -0.94 -0.69 0.00 0.00 178.15 177.53 1kdm s SER 178 N -6.99 0.26 -0.02 1.72 1.04 -1.18 -5.00 113.70 103.53 1kdm s SER 178 Ca -0.18 -0.67 0.02 0.00 0.48 0.00 0.00 55.95 55.59 1kdm s SER 178 Cb 0.03 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.38 1kdm s SER 178 CO 0.78 -0.55 -0.06 0.00 0.98 0.00 0.00 173.24 174.38 1kdm s ALA 179 N -3.07 0.60 0.77 5.32 0.00 -1.26 -1.15 121.76 122.97 1kdm s ALA 179 Ca -0.01 -0.21 -0.13 0.00 0.00 0.00 0.00 51.96 51.60 1kdm s ALA 179 Cb 0.02 -0.23 0.06 0.00 0.00 0.00 0.00 23.12 22.97 1kdm s ALA 179 CO -0.07 0.10 1.17 -1.54 0.00 0.00 0.00 175.76 175.41 1kdm s SER 180 N 0.18 4.06 -0.17 0.00 1.04 0.07 -4.90 113.70 113.97 1kdm s SER 180 Ca -0.02 2.20 -0.40 0.00 0.48 0.00 0.00 55.95 58.21 1kdm s SER 180 Cb -0.07 -2.57 -0.17 0.00 0.10 0.00 0.00 66.02 63.31 1kdm s SER 180 CO -0.00 -2.35 1.52 0.00 0.98 0.00 0.00 173.24 173.39 1kdm n ALA 181 N -3.13 -1.03 -1.11 5.32 0.00 -1.26 -4.87 120.51 114.43 1kdm n ALA 181 Ca 0.12 0.47 -0.25 0.00 0.00 0.00 0.00 53.44 53.78 1kdm n ALA 181 Cb 0.51 -2.08 0.05 0.00 0.00 0.00 0.00 19.45 17.94 1kdm n ALA 181 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1kdm n PRO 182 N 3.85 2.20 -0.01 0.00 -0.05 -1.26 -4.02 135.00 135.72 1kdm n PRO 182 Ca 0.24 -2.33 0.10 0.00 -0.05 0.00 0.00 63.50 61.45 1kdm n PRO 182 Cb 0.11 -1.92 -0.15 0.00 -0.05 0.00 0.00 33.50 31.49 1kdm n PRO 182 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 175.50 173.08 1kdm n THR 183 N -0.17 0.00 0.03 0.52 5.66 -1.26 -4.27 114.28 114.80 1kdm n THR 183 Ca 0.45 -0.42 -0.22 0.00 -3.05 0.00 0.00 64.05 60.81 1kdm n THR 183 Cb 0.60 0.13 -0.14 0.00 -1.55 0.00 0.00 70.33 69.37 1kdm n THR 183 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1kdm h SER 184 N 0.00 0.48 -1.87 1.09 0.02 -1.92 -3.48 113.55 107.87 1kdm h SER 184 Ca 0.00 -0.89 -0.63 0.00 -0.84 0.00 0.00 61.79 59.43 1kdm h SER 184 Cb 0.86 -0.16 0.11 0.00 0.14 0.00 0.00 62.40 63.35 1kdm h SER 184 CO 0.00 1.68 -0.16 0.18 -1.14 0.00 0.00 176.83 177.40 1kdm n LEU 185 N -3.79 0.49 -4.10 5.07 4.77 -1.26 -4.98 117.00 113.20 1kdm n LEU 185 Ca -0.25 1.15 -0.32 0.00 -0.03 0.00 0.00 56.01 56.57 1kdm n LEU 185 Cb 0.97 -1.15 -0.16 0.00 -2.33 0.00 0.00 43.42 40.75 1kdm n LEU 185 CO 0.45 -2.10 -0.52 -0.60 -1.33 0.00 0.00 177.39 173.29 1kdm s ARG 186 N -1.33 2.72 0.65 3.23 3.52 -1.26 -5.04 118.95 121.44 1kdm s ARG 186 Ca 0.61 -0.73 -0.17 0.00 -0.13 0.00 0.00 55.73 55.30 1kdm s ARG 186 Cb -0.79 -2.32 -0.00 0.00 -1.56 0.00 0.00 34.95 30.27 1kdm s ARG 186 CO 0.58 -0.14 1.24 0.45 -0.81 0.00 0.00 175.30 176.62 1kdm s SER 187 N 1.17 4.69 0.00 -2.12 0.15 -1.26 0.10 113.70 116.43 1kdm s SER 187 Ca 0.00 2.46 0.25 0.00 0.70 0.00 0.00 55.95 59.37 1kdm s SER 187 Cb -0.14 -2.60 0.41 0.00 -1.71 0.00 0.00 66.02 61.98 1kdm s SER 187 CO -0.08 -1.94 1.39 0.00 1.20 0.00 0.00 173.24 173.81