#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kdk n PRO 13 N 0.00 0.40 -0.16 -0.67 -0.02 -1.26 -3.11 135.00 130.19 1kdk n PRO 13 Ca 0.00 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1kdk n PRO 13 Cb 0.00 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 1kdk n PRO 13 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1kdk n PRO 14 N 2.86 0.00 -3.90 0.52 -0.02 -1.26 -4.60 135.00 128.59 1kdk n PRO 14 Ca 0.23 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.35 1kdk n PRO 14 Cb 0.08 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.48 1kdk n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1kdk s ALA 15 N 0.00 3.68 0.13 3.55 0.00 -1.18 -4.58 121.76 123.37 1kdk s ALA 15 Ca 0.00 -0.69 0.08 0.00 0.00 0.00 0.00 51.96 51.35 1kdk s ALA 15 Cb 0.00 -1.97 -0.04 0.00 0.00 0.00 0.00 23.12 21.11 1kdk s ALA 15 CO 0.00 0.40 -0.12 0.54 0.00 0.00 0.00 175.76 176.58 1kdk s VAL 16 N -0.36 3.16 0.17 0.00 0.11 -0.01 -1.30 120.40 122.18 1kdk s VAL 16 Ca 0.11 -1.47 -0.30 0.00 -2.93 0.00 0.00 61.98 57.38 1kdk s VAL 16 Cb -0.12 -2.50 -0.07 0.00 -1.53 0.00 0.00 36.38 32.16 1kdk s VAL 16 CO 0.01 0.03 1.07 -1.00 -3.33 0.00 0.00 175.10 171.88 1kdk s HIS 17 N -1.37 3.65 -0.49 1.54 3.76 0.13 -0.54 115.29 121.98 1kdk s HIS 17 Ca 0.22 1.65 0.25 0.00 -0.15 0.00 0.00 55.06 57.03 1kdk s HIS 17 Cb -0.10 -3.22 0.94 0.00 1.11 0.00 0.00 32.58 31.31 1kdk s HIS 17 CO 0.13 -0.41 1.76 -0.07 -0.85 0.00 0.00 174.74 175.30 1kdk h LEU 18 N 5.11 0.00 -7.72 0.89 3.38 -1.40 -3.44 115.31 112.14 1kdk h LEU 18 Ca -0.44 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.31 1kdk h LEU 18 Cb 1.21 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.69 1kdk h LEU 18 CO 0.72 0.00 -0.68 -0.94 0.09 0.00 0.00 178.44 177.63 1kdk s SER 19 N -4.59 -0.01 -0.72 -0.43 1.04 -1.25 -4.45 113.70 103.28 1kdk s SER 19 Ca 0.06 0.02 -0.06 0.00 0.48 0.00 0.00 55.95 56.45 1kdk s SER 19 Cb 0.10 0.07 0.19 0.00 0.10 0.00 0.00 66.02 66.48 1kdk s SER 19 CO 0.48 -0.04 0.58 0.21 0.98 0.00 0.00 173.24 175.46 1kdk s ASN 20 N -0.10 5.78 0.16 7.02 3.84 -1.26 -4.92 114.94 125.45 1kdk s ASN 20 Ca -0.01 -2.90 0.00 0.00 0.21 0.00 0.00 52.86 50.15 1kdk s ASN 20 Cb -0.01 -1.97 0.00 0.00 -0.55 0.00 0.00 41.25 38.72 1kdk s ASN 20 CO 0.00 -0.41 0.00 0.61 -2.79 0.00 0.00 177.10 174.51 1kdk n GLY 21 N 3.51 1.24 0.22 1.21 0.00 -1.26 -4.31 105.19 105.79 1kdk n GLY 21 Ca 0.11 -0.63 0.09 0.00 0.00 0.00 0.00 46.02 45.59 1kdk n GLY 21 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kdk h PRO 22 N 0.00 0.00 -5.43 1.61 0.13 -2.01 -3.48 132.00 122.82 1kdk h PRO 22 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 1kdk h PRO 22 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1kdk h PRO 22 CO 0.00 0.25 -0.23 0.41 -0.23 0.00 0.00 178.00 178.20 1kdk n GLY 23 N 0.16 -1.24 0.52 1.56 0.00 -1.26 -4.74 105.19 100.19 1kdk n GLY 23 Ca 0.00 0.74 -0.03 0.00 0.00 0.00 0.00 46.02 46.73 1kdk n GLY 23 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1kdk n GLN 24 N -1.32 0.18 -3.82 1.61 6.02 -1.26 -3.69 117.38 115.10 1kdk n GLN 24 Ca 0.02 0.07 -0.20 0.00 -0.01 0.00 0.00 57.00 56.88 1kdk n GLN 24 Cb 0.50 -0.73 -0.02 0.00 1.02 0.00 0.00 30.24 31.01 1kdk n GLN 24 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 1kdk s GLU 25 N -1.95 3.23 0.83 -1.09 -1.05 -1.26 -4.37 118.70 113.04 1kdk s GLU 25 Ca -0.10 -0.91 -0.11 0.00 -0.15 0.00 0.00 54.97 53.70 1kdk s GLU 25 Cb 0.01 -2.80 0.09 0.00 -0.44 0.00 0.00 34.13 30.99 1kdk s GLU 25 CO 0.15 0.29 1.09 -1.25 0.95 0.00 0.00 175.26 176.49 1kdk s PRO 26 N -4.02 1.80 0.22 -4.83 0.04 -1.26 -4.58 135.00 122.36 1kdk s PRO 26 Ca 0.38 1.06 0.15 0.00 0.04 0.00 0.00 61.00 62.62 1kdk s PRO 26 Cb -0.09 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.60 1kdk s PRO 26 CO 0.29 -1.93 1.30 -0.84 0.04 0.00 0.00 177.00 175.86 1kdk h ILE 27 N -1.33 0.85 -2.31 0.56 3.07 -1.42 -3.42 117.51 113.50 1kdk h ILE 27 Ca -0.46 -2.26 -0.07 0.00 1.55 0.00 0.00 64.86 63.62 1kdk h ILE 27 Cb 1.25 2.37 -0.22 0.00 -0.27 0.00 0.00 36.82 39.95 1kdk h ILE 27 CO 0.52 0.48 -0.02 0.00 -1.05 0.00 0.00 178.15 178.09 1kdk s ALA 28 N -2.94 -1.46 -0.11 0.16 0.00 -1.25 -4.38 121.76 111.79 1kdk s ALA 28 Ca 0.02 1.62 0.01 0.00 0.00 0.00 0.00 51.96 53.62 1kdk s ALA 28 Cb 0.08 -0.91 0.02 0.00 0.00 0.00 0.00 23.12 22.31 1kdk s ALA 28 CO 0.77 -0.28 -0.12 0.08 0.00 0.00 0.00 175.76 176.20 1kdk s VAL 29 N 0.21 1.29 0.03 0.00 1.01 0.31 -0.77 120.40 122.48 1kdk s VAL 29 Ca -0.01 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 61.52 1kdk s VAL 29 Cb -0.04 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 35.09 1kdk s VAL 29 CO 0.01 0.40 -0.09 -0.04 0.00 0.00 0.00 175.10 175.39 1kdk s MET 30 N 1.21 2.41 -0.05 2.72 -1.94 0.87 -0.32 119.30 124.19 1kdk s MET 30 Ca -0.03 -0.82 0.07 0.00 -1.71 0.00 0.00 55.69 53.20 1kdk s MET 30 Cb -0.14 -2.42 -0.01 0.00 2.01 0.00 0.00 34.83 34.27 1kdk s MET 30 CO -0.04 0.58 -0.25 0.99 -0.01 0.00 0.00 175.02 176.28 1kdk s THR 31 N -1.03 2.06 0.00 2.05 2.01 0.13 -0.65 115.64 120.22 1kdk s THR 31 Ca 0.18 -1.08 0.04 0.00 0.31 0.00 0.00 61.69 61.14 1kdk s THR 31 Cb -0.11 -1.73 -0.01 0.00 0.01 0.00 0.00 72.50 70.66 1kdk s THR 31 CO 0.08 0.57 -0.13 -0.36 -0.69 0.00 0.00 174.62 174.10 1kdk s PHE 32 N -0.27 1.15 -0.47 4.92 0.40 0.55 -0.19 117.98 124.07 1kdk s PHE 32 Ca -0.00 -0.25 -0.22 0.00 -0.60 0.00 0.00 56.93 55.85 1kdk s PHE 32 Cb -0.13 -0.73 0.03 0.00 0.51 0.00 0.00 43.02 42.71 1kdk s PHE 32 CO 0.03 -0.01 0.77 0.34 0.70 0.00 0.00 175.22 177.05 1kdk s ASP 33 N -0.50 6.37 0.56 1.36 -1.08 -0.27 -0.92 116.67 122.18 1kdk s ASP 33 Ca 0.04 -0.27 0.33 0.00 -0.52 0.00 0.00 52.55 52.13 1kdk s ASP 33 Cb -0.06 -2.37 1.60 0.00 -1.46 0.00 0.00 42.92 40.63 1kdk s ASP 33 CO -0.00 -0.94 2.09 -0.07 0.52 0.00 0.00 175.17 176.77 1kdk h LEU 34 N 10.16 0.00 -0.66 -1.34 4.07 -1.37 -1.97 115.31 124.20 1kdk h LEU 34 Ca -0.25 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.71 1kdk h LEU 34 Cb 1.09 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.83 1kdk h LEU 34 CO 0.97 0.07 0.00 0.71 -1.08 0.00 0.00 178.44 179.11 1kdk h THR 35 N 0.00 0.00 0.00 0.22 1.35 -1.90 -3.10 112.91 109.49 1kdk h THR 35 Ca -0.00 -0.30 -0.19 0.00 -0.55 0.00 0.00 66.41 65.37 1kdk h THR 35 Cb 0.35 1.09 -0.04 0.00 -1.73 0.00 0.00 68.15 67.82 1kdk h THR 35 CO 0.01 0.00 -2.06 0.29 -0.25 0.00 0.00 175.52 173.51 1kdk n LYS 36 N -2.32 0.91 -1.54 4.72 5.02 -0.77 -5.02 118.16 119.15 1kdk n LYS 36 Ca 0.02 -0.07 -0.52 0.00 -2.02 0.00 0.00 58.31 55.72 1kdk n LYS 36 Cb 0.27 -1.45 -0.05 0.00 -0.02 0.00 0.00 35.03 33.77 1kdk n LYS 36 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1kdk n ILE 37 N -2.45 0.57 0.04 -0.18 -0.00 -1.00 -4.81 119.36 111.54 1kdk n ILE 37 Ca -0.18 -0.14 0.00 0.00 -0.00 0.00 0.00 62.75 62.42 1kdk n ILE 37 Cb 0.84 -0.55 0.00 0.00 -0.00 0.00 0.00 39.64 39.92 1kdk n ILE 37 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.55 176.90 1kdk n THR 38 N 1.60 0.67 -2.06 1.39 -2.24 -1.26 -4.93 114.28 107.45 1kdk n THR 38 Ca 0.17 0.22 -0.43 0.00 -2.27 0.00 0.00 64.05 61.75 1kdk n THR 38 Cb 0.19 -1.37 -0.03 0.00 -2.10 0.00 0.00 70.33 67.02 1kdk n THR 38 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1kdk s LYS 39 N -2.00 3.35 -0.84 -0.78 2.20 -1.26 -4.87 119.74 115.55 1kdk s LYS 39 Ca 0.00 1.31 0.02 0.00 -0.36 0.00 0.00 55.97 56.94 1kdk s LYS 39 Cb 0.00 -4.17 0.32 0.00 -1.51 0.00 0.00 37.83 32.47 1kdk s LYS 39 CO 0.00 -1.84 1.38 0.25 -0.36 0.00 0.00 175.35 174.78 1kdk n THR 40 N 7.35 4.62 -3.62 3.43 -2.24 -1.26 -3.48 114.28 119.07 1kdk n THR 40 Ca 0.22 -5.78 -0.12 0.00 -2.27 0.00 0.00 64.05 56.10 1kdk n THR 40 Cb 0.47 -1.59 -0.05 0.00 -2.10 0.00 0.00 70.33 67.06 1kdk n THR 40 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1kdk s SER 41 N -2.28 -0.31 0.02 3.42 1.04 -1.26 -0.75 113.70 113.59 1kdk s SER 41 Ca 0.42 -0.10 0.01 0.00 0.48 0.00 0.00 55.95 56.76 1kdk s SER 41 Cb 0.21 0.47 -0.02 0.00 0.10 0.00 0.00 66.02 66.77 1kdk s SER 41 CO -0.10 -0.77 -0.04 -0.44 0.98 0.00 0.00 173.24 172.87 1kdk s SER 42 N -2.37 0.38 -0.12 7.02 0.01 0.03 -1.40 113.70 117.25 1kdk s SER 42 Ca -0.02 -0.50 -0.23 0.00 1.31 0.00 0.00 55.95 56.51 1kdk s SER 42 Cb 0.00 0.08 0.06 0.00 0.21 0.00 0.00 66.02 66.37 1kdk s SER 42 CO -0.07 -0.27 0.57 -0.94 0.41 0.00 0.00 173.24 172.93 1kdk s SER 43 N -1.47 -0.55 0.17 2.44 1.04 -0.17 -0.63 113.70 114.54 1kdk s SER 43 Ca -0.14 0.79 -0.24 0.00 0.48 0.00 0.00 55.95 56.83 1kdk s SER 43 Cb -0.10 0.78 0.06 0.00 0.10 0.00 0.00 66.02 66.86 1kdk s SER 43 CO -0.01 -0.40 0.95 0.72 0.98 0.00 0.00 173.24 175.48 1kdk s PHE 44 N -0.58 -0.11 -0.02 5.02 -0.12 -0.50 -0.34 117.98 121.32 1kdk s PHE 44 Ca -0.07 -0.23 0.06 0.00 -0.05 0.00 0.00 56.93 56.64 1kdk s PHE 44 Cb -0.03 0.66 -0.02 0.00 -0.63 0.00 0.00 43.02 42.99 1kdk s PHE 44 CO 0.05 -0.89 -0.20 -1.21 -0.05 0.00 0.00 175.22 172.93 1kdk s GLU 45 N -3.21 2.26 0.05 1.99 2.02 -0.32 -0.68 118.70 120.80 1kdk s GLU 45 Ca 0.13 -0.85 0.04 0.00 0.02 0.00 0.00 54.97 54.32 1kdk s GLU 45 Cb -0.02 -2.20 -0.02 0.00 0.10 0.00 0.00 34.13 31.98 1kdk s GLU 45 CO 0.03 0.58 -0.12 0.54 0.02 0.00 0.00 175.26 176.32 1kdk s VAL 46 N -0.72 0.90 -0.04 2.63 0.11 -0.62 -1.50 120.40 121.17 1kdk s VAL 46 Ca 0.11 -1.12 -0.01 0.00 -2.93 0.00 0.00 61.98 58.03 1kdk s VAL 46 Cb -0.10 -0.88 0.03 0.00 -1.53 0.00 0.00 36.38 33.90 1kdk s VAL 46 CO 0.01 -0.21 0.08 -0.60 -3.33 0.00 0.00 175.10 171.05 1kdk s ARG 47 N -1.49 0.01 0.11 1.54 3.52 -0.48 -0.95 118.95 121.20 1kdk s ARG 47 Ca -0.04 0.30 -0.26 0.00 -0.13 0.00 0.00 55.73 55.60 1kdk s ARG 47 Cb -0.09 -0.25 0.08 0.00 -1.56 0.00 0.00 34.95 33.12 1kdk s ARG 47 CO 0.01 -0.19 0.82 -0.08 -0.81 0.00 0.00 175.30 175.05 1kdk s THR 48 N 1.30 0.00 -0.55 4.11 -1.32 -1.26 -0.33 115.64 117.58 1kdk s THR 48 Ca -0.07 -0.29 0.05 0.00 -1.21 0.00 0.00 61.69 60.17 1kdk s THR 48 Cb -0.12 -1.37 0.02 0.00 -1.51 0.00 0.00 72.50 69.51 1kdk s THR 48 CO -0.04 0.00 0.55 0.79 -2.21 0.00 0.00 174.62 173.71 1kdk n TRP 49 N -0.36 0.00 -3.04 9.09 7.02 -1.26 -1.39 117.44 127.51 1kdk n TRP 49 Ca -0.09 0.00 -0.40 0.00 -1.02 0.00 0.00 57.50 55.98 1kdk n TRP 49 Cb 0.62 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 29.46 1kdk n TRP 49 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1kdk s ASP 50 N -0.68 6.81 0.00 -0.99 -1.08 -1.26 -4.92 116.67 114.54 1kdk s ASP 50 Ca 0.05 0.98 0.29 0.00 -0.52 0.00 0.00 52.55 53.35 1kdk s ASP 50 Cb 0.04 -2.39 1.20 0.00 -1.46 0.00 0.00 42.92 40.31 1kdk s ASP 50 CO 0.10 -0.29 1.87 -0.81 0.52 0.00 0.00 175.17 176.55 1kdk n PRO 51 N 4.96 0.25 -3.81 4.34 -0.04 -1.26 -4.74 135.00 134.70 1kdk n PRO 51 Ca 0.00 -0.05 -0.13 0.00 -0.04 0.00 0.00 63.50 63.29 1kdk n PRO 51 Cb 0.50 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.33 1kdk n PRO 51 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1kdk s GLU 52 N -2.79 0.17 0.00 0.54 2.12 -1.26 -0.79 118.70 116.70 1kdk s GLU 52 Ca 0.20 0.24 0.00 0.00 0.36 0.00 0.00 54.97 55.77 1kdk s GLU 52 Cb 0.19 0.05 0.00 0.00 0.26 0.00 0.00 34.13 34.64 1kdk s GLU 52 CO 0.53 -0.04 0.00 0.41 -0.54 0.00 0.00 175.26 175.62 1kdk n GLY 53 N 3.16 1.02 3.78 -1.50 0.00 -0.48 -4.43 105.19 106.73 1kdk n GLY 53 Ca -0.14 -1.28 -0.39 0.00 0.00 0.00 0.00 46.02 44.21 1kdk n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kdk s VAL 54 N -1.94 4.87 -0.17 1.61 1.01 0.54 -0.80 120.40 125.52 1kdk s VAL 54 Ca 0.00 1.23 -0.13 0.00 0.00 0.00 0.00 61.98 63.07 1kdk s VAL 54 Cb 0.00 -3.92 -0.07 0.00 0.00 0.00 0.00 36.38 32.40 1kdk s VAL 54 CO 0.00 0.45 -0.17 -0.38 0.00 0.00 0.00 175.10 175.00 1kdk n ILE 55 N 2.47 1.46 -3.67 2.22 5.41 0.26 -4.36 119.36 123.15 1kdk n ILE 55 Ca -0.08 0.12 -0.10 0.00 1.00 0.00 0.00 62.75 63.69 1kdk n ILE 55 Cb 0.51 -2.30 -0.05 0.00 -0.71 0.00 0.00 39.64 37.10 1kdk n ILE 55 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 176.55 177.27 1kdk s PHE 56 N -2.44 -0.15 0.05 1.39 -0.12 -0.77 -0.59 117.98 115.35 1kdk s PHE 56 Ca -0.22 -0.18 0.04 0.00 -0.05 0.00 0.00 56.93 56.53 1kdk s PHE 56 Cb 0.04 0.25 -0.02 0.00 -0.63 0.00 0.00 43.02 42.66 1kdk s PHE 56 CO 0.34 -0.73 -0.13 -0.47 -0.05 0.00 0.00 175.22 174.19 1kdk s TYR 57 N -3.82 1.08 0.02 3.49 5.04 0.21 -0.94 117.35 122.41 1kdk s TYR 57 Ca 0.05 -0.42 -0.06 0.00 -2.44 0.00 0.00 57.07 54.19 1kdk s TYR 57 Cb 0.02 -0.63 -0.00 0.00 0.35 0.00 0.00 41.96 41.70 1kdk s TYR 57 CO -0.10 0.02 0.12 0.20 -1.34 0.00 0.00 175.55 174.45 1kdk s GLY 58 N -1.45 0.10 0.22 8.97 0.00 0.70 0.04 107.32 115.90 1kdk s GLY 58 Ca -0.02 -0.30 -0.22 0.00 0.00 0.00 0.00 44.72 44.18 1kdk s GLY 58 CO 0.01 -0.43 0.66 0.51 0.00 0.00 0.00 173.10 173.85 1kdk s ASP 59 N -1.65 -0.40 -0.05 1.64 1.47 0.31 -0.61 116.67 117.38 1kdk s ASP 59 Ca -0.11 -0.34 0.08 0.00 1.18 0.00 0.00 52.55 53.35 1kdk s ASP 59 Cb -0.05 0.67 -0.11 0.00 -0.34 0.00 0.00 42.92 43.08 1kdk s ASP 59 CO -0.01 -1.17 0.08 0.35 0.68 0.00 0.00 175.17 175.11 1kdk n THR 60 N -0.42 0.35 -3.68 2.11 -2.24 -0.47 -0.48 114.28 109.46 1kdk n THR 60 Ca -0.10 -0.29 -0.14 0.00 -2.27 0.00 0.00 64.05 61.26 1kdk n THR 60 Cb 0.62 -0.41 -0.13 0.00 -2.10 0.00 0.00 70.33 68.30 1kdk n THR 60 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1kdk s ASN 61 N -3.63 0.22 0.00 3.42 3.84 -1.11 -4.95 114.94 112.74 1kdk s ASN 61 Ca -0.04 0.54 0.22 0.00 0.21 0.00 0.00 52.86 53.79 1kdk s ASN 61 Cb 0.03 0.56 0.98 0.00 -0.55 0.00 0.00 41.25 42.27 1kdk s ASN 61 CO 0.33 -0.22 1.70 -0.81 -2.79 0.00 0.00 177.10 175.31 1kdk n PRO 62 N 5.02 0.09 -0.04 0.43 -0.04 -1.26 -1.19 135.00 138.01 1kdk n PRO 62 Ca -0.12 0.11 -0.21 0.00 -0.04 0.00 0.00 63.50 63.25 1kdk n PRO 62 Cb 0.51 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.34 1kdk n PRO 62 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1kdk h LYS 63 N 0.00 0.13 0.00 0.54 1.57 -1.98 -3.44 116.57 113.39 1kdk h LYS 63 Ca 0.00 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1kdk h LYS 63 Cb 0.33 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1kdk h LYS 63 CO 0.00 1.11 -0.12 -0.40 -0.57 0.00 0.00 179.45 179.47 1kdk n ASP 64 N -4.13 0.25 -3.41 0.86 5.68 -1.19 -4.92 116.55 109.69 1kdk n ASP 64 Ca -0.26 -1.39 -0.26 0.00 -0.50 0.00 0.00 54.79 52.37 1kdk n ASP 64 Cb 0.79 -0.06 -0.10 0.00 -1.14 0.00 0.00 41.12 40.60 1kdk n ASP 64 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1kdk s ASP 65 N -0.42 2.18 0.15 -1.12 2.15 -0.33 -4.00 116.67 115.28 1kdk s ASP 65 Ca 0.01 -2.29 -0.11 0.00 0.43 0.00 0.00 52.55 50.60 1kdk s ASP 65 Cb 0.01 -0.19 0.00 0.00 -0.30 0.00 0.00 42.92 42.44 1kdk s ASP 65 CO 0.00 -0.26 0.31 -1.66 -0.17 0.00 0.00 175.17 173.39 1kdk s TRP 66 N 0.88 0.24 -0.09 -5.34 1.48 -0.08 -1.36 118.94 114.67 1kdk s TRP 66 Ca 0.22 -0.61 -0.08 0.00 -1.06 0.00 0.00 56.10 54.56 1kdk s TRP 66 Cb -0.15 0.02 0.02 0.00 -1.16 0.00 0.00 33.47 32.21 1kdk s TRP 66 CO -0.05 -0.71 0.24 0.12 -4.06 0.00 0.00 176.95 172.49 1kdk s PHE 67 N -3.93 -0.27 0.00 1.66 5.36 0.23 -0.98 117.98 120.06 1kdk s PHE 67 Ca 0.13 0.65 0.02 0.00 -0.96 0.00 0.00 56.93 56.77 1kdk s PHE 67 Cb 0.03 0.09 -0.01 0.00 -0.34 0.00 0.00 43.02 42.79 1kdk s PHE 67 CO -0.03 -0.13 -0.06 1.41 -1.46 0.00 0.00 175.22 174.95 1kdk s MET 68 N 0.14 0.49 -0.17 10.12 -2.45 0.13 -0.21 119.30 127.35 1kdk s MET 68 Ca -0.00 -0.31 -0.01 0.00 -1.25 0.00 0.00 55.69 54.12 1kdk s MET 68 Cb -0.02 -0.44 -0.00 0.00 1.25 0.00 0.00 34.83 35.61 1kdk s MET 68 CO 0.00 0.12 -0.12 -1.17 1.05 0.00 0.00 175.02 174.90 1kdk s LEU 69 N -0.40 2.62 0.00 4.11 2.96 -0.12 -1.60 118.68 126.25 1kdk s LEU 69 Ca 0.00 -0.43 0.00 0.00 -0.22 0.00 0.00 54.13 53.48 1kdk s LEU 69 Cb -0.04 -1.62 0.00 0.00 0.50 0.00 0.00 46.19 45.03 1kdk s LEU 69 CO -0.00 0.06 0.00 0.61 -1.32 0.00 0.00 176.35 175.70 1kdk n GLY 70 N 4.21 3.68 3.51 7.98 0.00 0.06 -0.57 105.19 124.05 1kdk n GLY 70 Ca -0.19 -1.36 -0.32 0.00 0.00 0.00 0.00 46.02 44.16 1kdk n GLY 70 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kdk s LEU 71 N 0.00 2.84 -0.08 0.99 1.43 0.02 -0.88 118.68 123.00 1kdk s LEU 71 Ca 0.00 -0.26 -0.03 0.00 -1.03 0.00 0.00 54.13 52.81 1kdk s LEU 71 Cb 0.00 -1.63 0.04 0.00 0.03 0.00 0.00 46.19 44.63 1kdk s LEU 71 CO 0.00 0.29 0.17 -0.60 0.23 0.00 0.00 176.35 176.44 1kdk s ARG 72 N -1.22 0.08 -1.51 1.70 3.52 -0.42 -1.38 118.95 119.72 1kdk s ARG 72 Ca 0.14 0.48 -0.06 0.00 -0.13 0.00 0.00 55.73 56.17 1kdk s ARG 72 Cb -0.11 -0.20 0.02 0.00 -1.56 0.00 0.00 34.95 33.10 1kdk s ARG 72 CO 0.05 -0.23 0.60 -0.25 -0.81 0.00 0.00 175.30 174.66 1kdk n ASP 73 N 4.69 -5.74 0.00 -2.12 8.00 -0.85 -1.58 116.55 118.95 1kdk n ASP 73 Ca -0.17 -0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.02 1kdk n ASP 73 Cb 0.51 -4.65 0.00 0.00 -0.02 0.00 0.00 41.12 36.96 1kdk n ASP 73 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1kdk n GLY 74 N -1.48 2.99 3.76 0.44 0.00 0.03 -4.93 105.19 106.00 1kdk n GLY 74 Ca -0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 1kdk n GLY 74 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kdk s ARG 75 N -0.12 2.81 0.41 1.61 0.52 -0.61 0.03 118.95 123.60 1kdk s ARG 75 Ca 0.00 -0.72 -0.23 0.00 -0.52 0.00 0.00 55.73 54.25 1kdk s ARG 75 Cb 0.00 -2.69 -0.12 0.00 0.52 0.00 0.00 34.95 32.66 1kdk s ARG 75 CO 0.00 0.56 0.76 -2.30 0.02 0.00 0.00 175.30 174.34 1kdk n PRO 76 N 0.47 0.90 -4.02 3.54 -0.02 -1.21 -1.30 135.00 133.34 1kdk n PRO 76 Ca -0.09 0.32 -0.17 0.00 -2.02 0.00 0.00 63.50 61.54 1kdk n PRO 76 Cb 0.52 -1.73 -0.16 0.00 -0.02 0.00 0.00 33.50 32.11 1kdk n PRO 76 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1kdk s GLU 77 N -1.76 0.41 -0.08 -0.52 2.12 -0.06 -2.00 118.70 116.80 1kdk s GLU 77 Ca 0.63 -0.02 0.01 0.00 0.36 0.00 0.00 54.97 55.95 1kdk s GLU 77 Cb -0.60 -0.50 -0.03 0.00 0.26 0.00 0.00 34.13 33.27 1kdk s GLU 77 CO 0.57 -0.06 -0.09 0.42 -0.54 0.00 0.00 175.26 175.56 1kdk s ILE 78 N 0.69 3.48 -0.06 -3.70 1.01 0.44 -0.76 121.20 122.31 1kdk s ILE 78 Ca -0.07 -0.55 0.06 0.00 0.00 0.00 0.00 60.65 60.09 1kdk s ILE 78 Cb -0.11 -2.43 -0.01 0.00 0.01 0.00 0.00 42.46 39.92 1kdk s ILE 78 CO -0.01 0.57 -0.25 -1.10 0.00 0.00 0.00 174.94 174.16 1kdk s GLN 79 N -0.46 2.54 -0.10 2.79 -0.21 -0.63 -0.58 119.66 123.01 1kdk s GLN 79 Ca 0.06 -0.90 -0.10 0.00 0.02 0.00 0.00 55.36 54.45 1kdk s GLN 79 Cb -0.12 -2.17 0.03 0.00 1.00 0.00 0.00 33.01 31.75 1kdk s GLN 79 CO 0.02 0.39 0.28 -1.17 -2.12 0.00 0.00 175.29 172.69 1kdk s LEU 80 N -0.19 0.93 -0.09 2.90 0.20 -0.43 0.19 118.68 122.18 1kdk s LEU 80 Ca -0.03 0.55 -0.03 0.00 0.69 0.00 0.00 54.13 55.31 1kdk s LEU 80 Cb -0.14 0.97 0.04 0.00 -0.43 0.00 0.00 46.19 46.63 1kdk s LEU 80 CO 0.03 -0.11 0.06 -2.28 -0.29 0.00 0.00 176.35 173.77 1kdk s HIS 81 N 0.11 0.21 0.10 5.38 2.46 -0.15 -1.24 115.29 122.16 1kdk s HIS 81 Ca -0.00 -0.03 -0.01 0.00 0.47 0.00 0.00 55.06 55.49 1kdk s HIS 81 Cb -0.02 -0.61 0.00 0.00 -0.13 0.00 0.00 32.58 31.83 1kdk s HIS 81 CO 0.00 -0.33 0.15 0.27 -2.47 0.00 0.00 174.74 172.37 1kdk n ASN 82 N 5.27 -0.43 0.18 9.88 2.04 0.00 -0.90 115.26 131.29 1kdk n ASN 82 Ca -0.05 -1.54 0.04 0.00 -0.44 0.00 0.00 54.58 52.58 1kdk n ASN 82 Cb 0.50 0.79 0.44 0.00 -2.53 0.00 0.00 39.78 38.98 1kdk n ASN 82 CO 0.00 0.00 0.00 -0.74 -0.44 0.00 0.00 177.26 176.08 1kdk h HIS 83 N 1.30 0.10 0.00 -2.53 -0.00 -1.92 -3.19 115.15 108.90 1kdk h HIS 83 Ca -0.08 -0.01 -0.25 0.00 -0.00 0.00 0.00 60.37 60.03 1kdk h HIS 83 Cb 0.35 -0.03 -0.04 0.00 -0.00 0.00 0.00 27.41 27.69 1kdk h HIS 83 CO 0.00 0.27 -1.66 0.91 -0.00 0.00 0.00 177.93 177.45 1kdk n TRP 84 N -4.28 0.91 -3.68 5.26 8.01 -1.26 -5.01 117.44 117.38 1kdk n TRP 84 Ca -0.02 0.32 -0.14 0.00 -1.31 0.00 0.00 57.50 56.35 1kdk n TRP 84 Cb 0.27 -1.13 -0.08 0.00 -2.01 0.00 0.00 31.31 28.35 1kdk n TRP 84 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1kdk s ALA 85 N -2.71 -1.30 -0.14 6.99 0.00 -1.21 -4.89 121.76 118.50 1kdk s ALA 85 Ca -0.04 1.30 -0.02 0.00 0.00 0.00 0.00 51.96 53.20 1kdk s ALA 85 Cb 0.08 -0.61 0.04 0.00 0.00 0.00 0.00 23.12 22.63 1kdk s ALA 85 CO 0.82 -0.27 -0.00 -0.65 0.00 0.00 0.00 175.76 175.66 1kdk s GLN 86 N -0.16 0.87 0.10 0.00 1.11 -1.26 -0.82 119.66 119.51 1kdk s GLN 86 Ca -0.04 -0.26 -0.20 0.00 0.01 0.00 0.00 55.36 54.87 1kdk s GLN 86 Cb -0.03 -1.68 0.05 0.00 -1.01 0.00 0.00 33.01 30.34 1kdk s GLN 86 CO 0.03 -0.46 0.49 -0.48 0.01 0.00 0.00 175.29 174.88 1kdk s LEU 87 N 1.83 -0.01 -0.22 2.90 0.05 -0.37 -5.00 118.68 117.86 1kdk s LEU 87 Ca 0.02 -0.04 -0.02 0.00 0.05 0.00 0.00 54.13 54.14 1kdk s LEU 87 Cb -0.15 2.12 0.06 0.00 -2.05 0.00 0.00 46.19 46.18 1kdk s LEU 87 CO -0.07 -0.82 0.02 -0.89 -0.55 0.00 0.00 176.35 174.04 1kdk s THR 88 N -3.21 0.86 -0.02 5.48 2.01 -1.26 -1.31 115.64 118.19 1kdk s THR 88 Ca -0.01 -0.85 0.02 0.00 0.31 0.00 0.00 61.69 61.16 1kdk s THR 88 Cb 0.00 -1.33 0.00 0.00 0.01 0.00 0.00 72.50 71.18 1kdk s THR 88 CO -0.08 -0.23 -0.08 -0.69 -0.69 0.00 0.00 174.62 172.86 1kdk s VAL 89 N 1.69 0.65 0.04 3.82 1.01 0.25 -5.00 120.40 122.86 1kdk s VAL 89 Ca -0.01 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 61.69 1kdk s VAL 89 Cb -0.18 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 1kdk s VAL 89 CO -0.09 0.20 0.01 -0.83 0.00 0.00 0.00 175.10 174.39 1kdk s GLY 90 N 0.13 1.91 -0.05 4.51 0.00 -1.26 -0.42 107.32 112.15 1kdk s GLY 90 Ca -0.02 -1.02 -0.29 0.00 0.00 0.00 0.00 44.72 43.39 1kdk s GLY 90 CO 0.00 -0.94 0.92 0.00 0.00 0.00 0.00 173.10 173.09 1kdk s ALA 91 N -1.20 -1.86 0.00 3.20 0.00 -0.85 -5.00 121.76 116.05 1kdk s ALA 91 Ca 0.23 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.36 1kdk s ALA 91 Cb -0.12 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.15 1kdk s ALA 91 CO 0.14 -0.60 0.00 0.41 0.00 0.00 0.00 175.76 175.72 1kdk n GLY 92 N -0.01 -0.14 3.87 0.00 0.00 -1.26 -3.36 105.19 104.29 1kdk n GLY 92 Ca -0.09 -1.81 -0.29 0.00 0.00 0.00 0.00 46.02 43.83 1kdk n GLY 92 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1kdk s PRO 93 N -1.68 1.62 0.43 1.61 0.04 -1.26 -4.73 135.00 131.04 1kdk s PRO 93 Ca 0.00 0.10 -0.25 0.00 0.04 0.00 0.00 61.00 60.89 1kdk s PRO 93 Cb 0.00 -1.91 -0.08 0.00 0.04 0.00 0.00 34.50 32.55 1kdk s PRO 93 CO 0.00 -1.83 1.23 1.03 0.04 0.00 0.00 177.00 177.47 1kdk s ARG 94 N -5.54 3.86 0.00 4.56 0.52 -1.26 -4.27 118.95 116.82 1kdk s ARG 94 Ca 0.64 1.96 0.08 0.00 -0.52 0.00 0.00 55.73 57.89 1kdk s ARG 94 Cb -0.11 -2.59 0.13 0.00 0.52 0.00 0.00 34.95 32.89 1kdk s ARG 94 CO 0.50 -0.52 0.93 1.28 0.02 0.00 0.00 175.30 177.51 1kdk n LEU 95 N -0.16 2.07 -2.43 2.53 4.77 0.10 -4.76 117.00 119.13 1kdk n LEU 95 Ca 0.05 -1.41 -0.32 0.00 -0.03 0.00 0.00 56.01 54.30 1kdk n LEU 95 Cb 0.46 -0.07 0.04 0.00 -2.33 0.00 0.00 43.42 41.52 1kdk n LEU 95 CO 0.52 0.47 1.46 -0.90 -1.33 0.00 0.00 177.39 177.60 1kdk n ASP 96 N 0.35 7.27 -1.21 -1.43 5.75 -1.25 -4.33 116.55 121.71 1kdk n ASP 96 Ca 0.06 -3.59 0.08 0.00 -0.01 0.00 0.00 54.79 51.33 1kdk n ASP 96 Cb 0.27 -1.05 0.30 0.00 -1.03 0.00 0.00 41.12 39.61 1kdk n ASP 96 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1kdk n ASP 97 N -0.34 4.38 -1.70 -1.12 5.68 -1.21 -4.56 116.55 117.69 1kdk n ASP 97 Ca 0.53 -2.84 -0.19 0.00 -0.50 0.00 0.00 54.79 51.79 1kdk n ASP 97 Cb 0.52 -0.56 -0.07 0.00 -1.14 0.00 0.00 41.12 39.87 1kdk n ASP 97 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1kdk n GLY 98 N 0.06 1.36 3.73 6.12 0.00 -0.49 -4.98 105.19 111.00 1kdk n GLY 98 Ca 0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 1kdk n GLY 98 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kdk s ARG 99 N -3.85 2.69 0.07 1.61 0.52 -1.26 -4.79 118.95 113.94 1kdk s ARG 99 Ca 0.00 -0.84 -0.31 0.00 -0.52 0.00 0.00 55.73 54.07 1kdk s ARG 99 Cb 0.00 -2.59 -0.06 0.00 0.52 0.00 0.00 34.95 32.82 1kdk s ARG 99 CO 0.00 0.53 1.28 -1.58 0.02 0.00 0.00 175.30 175.55 1kdk s TRP 100 N -1.47 3.31 -0.06 -0.53 0.52 -1.26 -4.48 118.94 114.98 1kdk s TRP 100 Ca 0.28 1.14 0.05 0.00 0.02 0.00 0.00 56.10 57.58 1kdk s TRP 100 Cb -0.11 -3.53 -0.00 0.00 -1.15 0.00 0.00 33.47 28.68 1kdk s TRP 100 CO 0.20 -1.75 -0.20 -1.01 0.02 0.00 0.00 176.95 174.22 1kdk s HIS 101 N 1.24 2.02 -0.13 -1.98 3.76 -0.13 -4.94 115.29 115.14 1kdk s HIS 101 Ca 0.61 -0.65 -0.25 0.00 -0.15 0.00 0.00 55.06 54.63 1kdk s HIS 101 Cb -0.32 -1.35 -0.02 0.00 1.11 0.00 0.00 32.58 31.99 1kdk s HIS 101 CO 0.29 -0.23 0.79 -1.14 -0.85 0.00 0.00 174.74 173.60 1kdk s GLN 102 N 0.09 4.35 -0.02 1.40 0.74 -1.26 -1.58 119.66 123.38 1kdk s GLN 102 Ca -0.07 0.98 0.06 0.00 0.05 0.00 0.00 55.36 56.37 1kdk s GLN 102 Cb -0.14 -3.53 -0.01 0.00 1.10 0.00 0.00 33.01 30.43 1kdk s GLN 102 CO 0.04 -0.19 -0.19 0.08 -0.55 0.00 0.00 175.29 174.48 1kdk s VAL 103 N 1.66 1.48 -0.02 1.34 1.01 0.14 -0.07 120.40 125.93 1kdk s VAL 103 Ca 0.38 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.59 1kdk s VAL 103 Cb -0.17 -1.23 0.01 0.00 0.00 0.00 0.00 36.38 34.98 1kdk s VAL 103 CO 0.15 0.42 -0.05 -1.61 0.00 0.00 0.00 175.10 174.00 1kdk s GLU 104 N -0.39 0.64 -0.13 2.72 2.02 -0.23 -1.42 118.70 121.92 1kdk s GLU 104 Ca 0.06 -0.17 0.01 0.00 0.02 0.00 0.00 54.97 54.90 1kdk s GLU 104 Cb -0.08 -0.64 0.02 0.00 0.10 0.00 0.00 34.13 33.53 1kdk s GLU 104 CO -0.00 0.04 -0.16 0.08 0.02 0.00 0.00 175.26 175.24 1kdk s VAL 105 N 0.32 1.61 0.04 2.63 1.01 0.20 -0.90 120.40 125.32 1kdk s VAL 105 Ca -0.04 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.27 1kdk s VAL 105 Cb -0.08 -1.47 -0.02 0.00 0.00 0.00 0.00 36.38 34.81 1kdk s VAL 105 CO -0.00 0.46 -0.08 -0.54 0.00 0.00 0.00 175.10 174.94 1kdk s LYS 106 N 1.11 0.54 -0.24 2.72 1.02 -0.04 -0.79 119.74 124.06 1kdk s LYS 106 Ca -0.03 -0.76 -0.07 0.00 0.02 0.00 0.00 55.97 55.13 1kdk s LYS 106 Cb -0.14 -0.32 -0.03 0.00 -0.52 0.00 0.00 37.83 36.81 1kdk s LYS 106 CO -0.04 0.06 0.07 1.41 -0.92 0.00 0.00 175.35 175.92 1kdk s MET 107 N -1.56 3.67 -0.23 1.68 1.75 0.07 -0.28 119.30 124.41 1kdk s MET 107 Ca -0.09 -0.47 0.01 0.00 -1.25 0.00 0.00 55.69 53.89 1kdk s MET 107 Cb -0.10 -3.30 0.06 0.00 2.84 0.00 0.00 34.83 34.32 1kdk s MET 107 CO 0.00 -0.15 -0.08 -2.00 -0.65 0.00 0.00 175.02 172.14 1kdk s GLU 108 N 1.52 1.89 7.78 4.11 2.56 -0.31 -4.80 118.70 131.45 1kdk s GLU 108 Ca 0.06 -1.04 0.00 0.00 0.00 0.00 0.00 54.97 53.99 1kdk s GLU 108 Cb -0.15 -2.62 0.00 0.00 2.00 0.00 0.00 34.13 33.36 1kdk s GLU 108 CO 0.03 -0.54 0.00 0.41 -0.56 0.00 0.00 175.26 174.60 1kdk n GLY 109 N 4.61 3.61 1.32 -1.50 0.00 -1.26 -0.60 105.19 111.37 1kdk n GLY 109 Ca -0.13 0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.03 1kdk n GLY 109 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1kdk n ASP 110 N 9.28 4.03 -4.85 1.61 3.85 -1.26 -4.85 116.55 124.36 1kdk n ASP 110 Ca 0.00 -2.11 -0.21 0.00 -0.71 0.00 0.00 54.79 51.75 1kdk n ASP 110 Cb 0.00 -0.48 -0.04 0.00 -1.35 0.00 0.00 41.12 39.25 1kdk n ASP 110 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.20 175.75 1kdk s SER 111 N -0.99 5.50 -0.12 -1.12 0.01 0.23 -1.29 113.70 115.90 1kdk s SER 111 Ca 0.47 -0.33 0.02 0.00 1.31 0.00 0.00 55.95 57.42 1kdk s SER 111 Cb 0.26 -1.24 0.01 0.00 0.21 0.00 0.00 66.02 65.26 1kdk s SER 111 CO 0.29 -0.19 -0.20 -0.69 0.41 0.00 0.00 173.24 172.86 1kdk s VAL 112 N -2.20 1.87 -0.07 3.43 1.01 -0.04 -1.16 120.40 123.24 1kdk s VAL 112 Ca 0.37 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.50 1kdk s VAL 112 Cb -0.07 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.62 1kdk s VAL 112 CO 0.26 0.51 -0.13 -0.76 0.00 0.00 0.00 175.10 174.98 1kdk s LEU 113 N 0.81 2.78 -0.13 3.92 1.02 0.62 0.17 118.68 127.86 1kdk s LEU 113 Ca -0.09 -0.21 0.00 0.00 0.02 0.00 0.00 54.13 53.86 1kdk s LEU 113 Cb -0.16 -1.58 -0.01 0.00 0.02 0.00 0.00 46.19 44.46 1kdk s LEU 113 CO -0.00 0.31 -0.15 -0.22 0.02 0.00 0.00 176.35 176.31 1kdk s LEU 114 N -0.49 2.59 -0.08 1.79 2.96 -0.02 -0.86 118.68 124.57 1kdk s LEU 114 Ca 0.06 -0.39 0.04 0.00 -0.22 0.00 0.00 54.13 53.62 1kdk s LEU 114 Cb -0.12 -1.58 -0.01 0.00 0.50 0.00 0.00 46.19 44.98 1kdk s LEU 114 CO 0.02 0.14 -0.20 -1.61 -1.32 0.00 0.00 176.35 173.37 1kdk s GLU 115 N 0.48 2.79 -0.12 1.98 2.02 -0.07 -0.78 118.70 125.00 1kdk s GLU 115 Ca -0.10 -0.82 0.01 0.00 0.02 0.00 0.00 54.97 54.08 1kdk s GLU 115 Cb -0.16 -2.32 0.02 0.00 0.10 0.00 0.00 34.13 31.77 1kdk s GLU 115 CO 0.05 0.36 -0.15 0.08 0.02 0.00 0.00 175.26 175.62 1kdk s VAL 116 N -0.08 1.53 -1.53 2.63 1.01 -0.28 -1.07 120.40 122.61 1kdk s VAL 116 Ca -0.05 -0.64 -0.05 0.00 0.00 0.00 0.00 61.98 61.24 1kdk s VAL 116 Cb -0.14 -1.41 0.05 0.00 0.00 0.00 0.00 36.38 34.87 1kdk s VAL 116 CO 0.04 0.45 0.42 0.47 0.00 0.00 0.00 175.10 176.48 1kdk n ASP 117 N 4.41 -0.80 0.00 3.32 10.43 0.89 -1.41 116.55 133.40 1kdk n ASP 117 Ca -0.18 -1.08 0.00 0.00 2.57 0.00 0.00 54.79 56.10 1kdk n ASP 117 Cb 0.51 -2.60 0.00 0.00 1.84 0.00 0.00 41.12 40.87 1kdk n ASP 117 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1kdk n GLY 118 N -1.94 1.84 3.55 0.44 0.00 -1.26 -5.01 105.19 102.81 1kdk n GLY 118 Ca -0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 1kdk n GLY 118 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1kdk s GLU 119 N -0.19 3.15 -0.04 1.61 -1.05 -0.50 -5.08 118.70 116.61 1kdk s GLU 119 Ca 0.00 -0.53 -0.30 0.00 -0.15 0.00 0.00 54.97 53.99 1kdk s GLU 119 Cb 0.00 -2.73 -0.05 0.00 -0.44 0.00 0.00 34.13 30.90 1kdk s GLU 119 CO 0.00 0.49 1.56 -2.00 0.95 0.00 0.00 175.26 176.26 1kdk s GLU 120 N -0.33 4.21 0.00 -4.83 2.12 -1.26 -1.13 118.70 117.48 1kdk s GLU 120 Ca 0.05 2.11 0.06 0.00 0.36 0.00 0.00 54.97 57.55 1kdk s GLU 120 Cb -0.12 -3.84 -0.06 0.00 0.26 0.00 0.00 34.13 30.37 1kdk s GLU 120 CO 0.02 -0.77 0.30 1.33 -0.54 0.00 0.00 175.26 175.61 1kdk n VAL 121 N 5.23 0.00 -3.64 3.70 0.24 0.04 -4.95 118.33 118.95 1kdk n VAL 121 Ca 0.16 -0.36 -0.10 0.00 -2.04 0.00 0.00 64.34 62.00 1kdk n VAL 121 Cb 0.43 1.01 -0.07 0.00 -1.47 0.00 0.00 33.84 33.74 1kdk n VAL 121 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1kdk s LEU 122 N -2.16 -0.78 -0.15 1.34 2.96 -1.16 -4.43 118.68 114.30 1kdk s LEU 122 Ca 0.03 1.38 -0.01 0.00 -0.22 0.00 0.00 54.13 55.30 1kdk s LEU 122 Cb 0.05 2.33 0.04 0.00 0.50 0.00 0.00 46.19 49.11 1kdk s LEU 122 CO 0.24 -0.23 -0.02 -0.60 -1.32 0.00 0.00 176.35 174.42 1kdk s ARG 123 N 0.92 1.11 -0.58 1.98 3.52 -1.26 -0.84 118.95 123.80 1kdk s ARG 123 Ca -0.04 -0.36 -0.19 0.00 -0.13 0.00 0.00 55.73 55.00 1kdk s ARG 123 Cb -0.05 -1.81 0.09 0.00 -1.56 0.00 0.00 34.95 31.62 1kdk s ARG 123 CO -0.09 -0.44 0.71 -0.51 -0.81 0.00 0.00 175.30 174.16 1kdk s LEU 124 N 1.75 5.20 0.32 -0.88 1.43 0.13 -4.94 118.68 121.68 1kdk s LEU 124 Ca 0.01 -1.27 -0.10 0.00 -1.03 0.00 0.00 54.13 51.74 1kdk s LEU 124 Cb -0.15 -2.35 -0.07 0.00 0.03 0.00 0.00 46.19 43.65 1kdk s LEU 124 CO -0.07 -1.09 0.67 -0.13 0.23 0.00 0.00 176.35 175.95 1kdk s ARG 125 N 2.80 3.81 -1.29 1.70 0.52 -1.26 -0.86 118.95 124.36 1kdk s ARG 125 Ca 0.13 0.39 -0.07 0.00 -0.52 0.00 0.00 55.73 55.66 1kdk s ARG 125 Cb -0.22 -2.51 0.01 0.00 0.52 0.00 0.00 34.95 32.75 1kdk s ARG 125 CO 0.08 0.14 1.12 1.04 0.02 0.00 0.00 175.30 177.70 1kdk n GLN 126 N -0.74 -7.55 0.00 3.54 6.02 -1.15 -4.90 117.38 112.60 1kdk n GLN 126 Ca 0.01 0.81 0.04 0.00 -0.01 0.00 0.00 57.00 57.85 1kdk n GLN 126 Cb 0.53 -5.78 -0.00 0.00 1.02 0.00 0.00 30.24 26.01 1kdk n GLN 126 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1kdk n VAL 127 N -4.80 0.00 -3.67 5.09 0.24 -0.41 -4.74 118.33 110.04 1kdk n VAL 127 Ca -0.04 -0.42 -0.14 0.00 -2.04 0.00 0.00 64.34 61.71 1kdk n VAL 127 Cb 0.58 1.09 -0.08 0.00 -1.47 0.00 0.00 33.84 33.95 1kdk n VAL 127 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1kdk s SER 128 N -1.17 -0.59 0.54 -1.34 0.15 -0.82 -4.51 113.70 105.95 1kdk s SER 128 Ca 0.06 1.11 -0.04 0.00 0.70 0.00 0.00 55.95 57.78 1kdk s SER 128 Cb 0.06 1.12 0.00 0.00 -1.71 0.00 0.00 66.02 65.49 1kdk s SER 128 CO 0.20 -0.23 0.82 -0.83 1.20 0.00 0.00 173.24 174.40 1kdk s GLY 129 N 0.17 1.59 0.78 9.45 0.00 -1.26 -4.36 107.32 113.69 1kdk s GLY 129 Ca -0.01 -0.80 -0.16 0.00 0.00 0.00 0.00 44.72 43.75 1kdk s GLY 129 CO 0.01 -0.56 0.12 -1.05 0.00 0.00 0.00 173.10 171.63 1kdk n PRO 130 N -2.41 0.09 -0.02 2.90 -0.02 -1.26 -4.93 135.00 129.34 1kdk n PRO 130 Ca 0.03 0.06 -0.11 0.00 -2.02 0.00 0.00 63.50 61.47 1kdk n PRO 130 Cb 0.57 -1.53 -0.09 0.00 -0.02 0.00 0.00 33.50 32.44 1kdk n PRO 130 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1kdk h LEU 131 N -0.65 -0.06 -7.81 2.45 3.38 -1.95 -3.15 115.31 107.53 1kdk h LEU 131 Ca -0.44 -0.59 -0.71 0.00 0.09 0.00 0.00 57.88 56.24 1kdk h LEU 131 Cb 1.34 0.01 -0.14 0.00 0.09 0.00 0.00 40.66 41.97 1kdk h LEU 131 CO 0.37 0.67 1.66 -0.89 0.09 0.00 0.00 178.44 180.34 1kdk s THR 132 N -2.68 4.62 0.00 0.22 2.01 -1.26 -1.34 115.64 117.21 1kdk s THR 132 Ca -0.14 -2.22 0.00 0.00 0.31 0.00 0.00 61.69 59.64 1kdk s THR 132 Cb -0.01 -5.02 0.00 0.00 0.01 0.00 0.00 72.50 67.48 1kdk s THR 132 CO 0.51 -1.79 0.00 -1.20 -0.69 0.00 0.00 174.62 171.45 1kdk n SER 133 N 6.89 0.00 -4.76 3.53 7.64 -1.26 -5.09 113.62 120.57 1kdk n SER 133 Ca 0.40 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.96 1kdk n SER 133 Cb 0.45 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.70 1kdk n SER 133 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 1kdk s LYS 134 N 0.00 2.66 0.00 1.43 -2.85 -0.45 -5.04 119.74 115.49 1kdk s LYS 134 Ca 0.00 1.40 0.00 0.00 -1.00 0.00 0.00 55.97 56.37 1kdk s LYS 134 Cb 0.00 -1.93 0.00 0.00 -2.06 0.00 0.00 37.83 33.84 1kdk s LYS 134 CO 0.00 -1.36 0.00 0.54 0.10 0.00 0.00 175.35 174.63 1kdk n ARG 135 N -2.58 0.00 -1.62 1.78 1.74 -1.26 -4.41 116.66 110.31 1kdk n ARG 135 Ca 0.11 0.00 -0.46 0.00 -0.77 0.00 0.00 57.85 56.72 1kdk n ARG 135 Cb 0.52 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.92 1kdk n ARG 135 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 1kdk n HIS 136 N 0.00 2.16 0.25 -1.55 -0.00 -1.26 -4.87 115.22 109.95 1kdk n HIS 136 Ca 0.00 -0.07 -0.02 0.00 0.46 0.00 0.00 57.72 58.10 1kdk n HIS 136 Cb 0.00 -2.69 0.12 0.00 -0.12 0.00 0.00 29.99 27.30 1kdk n HIS 136 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1kdk n PRO 137 N 7.59 2.08 -4.72 1.57 -0.04 -1.26 -4.77 135.00 135.45 1kdk n PRO 137 Ca 0.27 -1.15 -0.33 0.00 -0.04 0.00 0.00 63.50 62.25 1kdk n PRO 137 Cb 0.34 -1.65 -0.15 0.00 -0.04 0.00 0.00 33.50 31.99 1kdk n PRO 137 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1kdk s ILE 138 N -1.49 2.58 -0.12 0.52 1.01 -1.26 -0.97 121.20 121.46 1kdk s ILE 138 Ca 0.21 -0.81 -0.02 0.00 0.00 0.00 0.00 60.65 60.03 1kdk s ILE 138 Cb 0.16 -2.06 -0.03 0.00 0.01 0.00 0.00 42.46 40.54 1kdk s ILE 138 CO 0.05 0.53 -0.07 -0.32 0.00 0.00 0.00 174.94 175.14 1kdk s MET 139 N 0.63 3.34 -0.10 2.79 1.75 -0.09 -4.48 119.30 123.13 1kdk s MET 139 Ca -0.09 -0.56 -0.02 0.00 -1.25 0.00 0.00 55.69 53.77 1kdk s MET 139 Cb -0.16 -2.76 -0.03 0.00 2.84 0.00 0.00 34.83 34.72 1kdk s MET 139 CO 0.03 0.37 -0.01 1.03 -0.65 0.00 0.00 175.02 175.78 1kdk s ARG 140 N 0.00 3.16 -0.18 4.11 0.52 0.37 -0.33 118.95 126.59 1kdk s ARG 140 Ca -0.01 -0.44 -0.00 0.00 -0.52 0.00 0.00 55.73 54.76 1kdk s ARG 140 Cb -0.14 -2.82 0.01 0.00 0.52 0.00 0.00 34.95 32.52 1kdk s ARG 140 CO 0.03 0.58 -0.15 0.42 0.02 0.00 0.00 175.30 176.20 1kdk s ILE 141 N -0.54 2.52 -0.16 1.52 -1.09 0.17 -0.53 121.20 123.09 1kdk s ILE 141 Ca 0.09 -0.79 -0.01 0.00 -2.23 0.00 0.00 60.65 57.70 1kdk s ILE 141 Cb -0.12 -2.08 -0.01 0.00 -1.58 0.00 0.00 42.46 38.67 1kdk s ILE 141 CO 0.02 0.51 -0.11 0.00 -1.23 0.00 0.00 174.94 174.13 1kdk s ALA 142 N 1.22 2.67 -0.15 9.38 0.00 0.11 -0.09 121.76 134.90 1kdk s ALA 142 Ca 0.03 -0.98 -0.12 0.00 0.00 0.00 0.00 51.96 50.88 1kdk s ALA 142 Cb -0.14 -1.36 -0.05 0.00 0.00 0.00 0.00 23.12 21.57 1kdk s ALA 142 CO -0.07 0.03 0.25 -0.51 0.00 0.00 0.00 175.76 175.45 1kdk s LEU 143 N 0.71 4.28 -1.49 0.00 1.43 0.05 -0.62 118.68 123.03 1kdk s LEU 143 Ca -0.05 0.48 0.00 0.00 -1.03 0.00 0.00 54.13 53.53 1kdk s LEU 143 Cb -0.15 -2.29 0.00 0.00 0.03 0.00 0.00 46.19 43.77 1kdk s LEU 143 CO 0.02 0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.39 1kdk n GLY 144 N 3.09 0.48 0.00 -3.19 0.00 0.24 -1.26 105.19 104.54 1kdk n GLY 144 Ca -0.14 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1kdk n GLY 144 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kdk n GLY 145 N -1.02 -0.64 3.96 -0.02 0.00 -1.26 -4.33 105.19 101.88 1kdk n GLY 145 Ca -0.18 -0.99 -0.20 0.00 0.00 0.00 0.00 46.02 44.66 1kdk n GLY 145 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kdk s LEU 146 N 0.00 3.37 -0.17 0.99 1.43 -1.26 -4.17 118.68 118.87 1kdk s LEU 146 Ca 0.00 -0.69 0.17 0.00 -1.03 0.00 0.00 54.13 52.58 1kdk s LEU 146 Cb 0.00 -2.12 0.45 0.00 0.03 0.00 0.00 46.19 44.55 1kdk s LEU 146 CO 0.00 -0.87 1.33 0.18 0.23 0.00 0.00 176.35 177.22 1kdk n LEU 147 N -1.82 3.39 -3.69 1.79 4.77 -1.26 -4.53 117.00 115.64 1kdk n LEU 147 Ca 0.07 -3.08 -0.11 0.00 -0.03 0.00 0.00 56.01 52.87 1kdk n LEU 147 Cb 0.61 -0.51 -0.06 0.00 -2.33 0.00 0.00 43.42 41.13 1kdk n LEU 147 CO 0.40 0.71 0.10 0.72 -1.33 0.00 0.00 177.39 178.00 1kdk s PHE 148 N -2.87 -0.14 0.59 -1.77 -0.71 -1.26 -4.97 117.98 106.85 1kdk s PHE 148 Ca 0.39 -0.12 -0.20 0.00 -1.04 0.00 0.00 56.93 55.96 1kdk s PHE 148 Cb 0.32 0.18 -0.03 0.00 -1.21 0.00 0.00 43.02 42.28 1kdk s PHE 148 CO 0.06 -0.63 1.27 -2.30 -1.34 0.00 0.00 175.22 172.28 1kdk n PRO 149 N 0.02 1.33 0.16 1.99 -0.02 -1.26 -4.90 135.00 132.32 1kdk n PRO 149 Ca -0.17 0.50 0.02 0.00 -2.02 0.00 0.00 63.50 61.84 1kdk n PRO 149 Cb 0.62 -2.49 0.36 0.00 -0.02 0.00 0.00 33.50 31.98 1kdk n PRO 149 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1kdk h ALA 150 N 0.93 1.41 0.00 3.55 0.00 -1.98 -0.08 119.26 123.09 1kdk h ALA 150 Ca -0.50 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.11 1kdk h ALA 150 Cb 1.33 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1kdk h ALA 150 CO 0.54 0.43 0.00 -1.13 0.00 0.00 0.00 179.25 179.09 1kdk n SER 151 N -4.16 0.20 -0.26 0.00 3.41 -1.26 -1.97 113.62 109.58 1kdk n SER 151 Ca -0.02 0.59 0.11 0.00 -0.26 0.00 0.00 58.87 59.29 1kdk n SER 151 Cb 0.36 -0.62 0.04 0.00 -0.26 0.00 0.00 64.21 63.73 1kdk n SER 151 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1kdk n ASN 152 N -1.77 1.43 -4.50 4.04 5.03 -0.04 -4.81 115.26 114.64 1kdk n ASN 152 Ca -0.00 -1.15 -0.29 0.00 0.87 0.00 0.00 54.58 54.00 1kdk n ASN 152 Cb 0.03 0.58 0.23 0.00 -1.02 0.00 0.00 39.78 39.59 1kdk n ASN 152 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1kdk n LEU 153 N -0.71 -0.32 -0.20 3.41 4.77 -0.83 -4.92 117.00 118.19 1kdk n LEU 153 Ca 0.08 -0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.97 1kdk n LEU 153 Cb 0.40 -1.29 0.05 0.00 -2.33 0.00 0.00 43.42 40.25 1kdk n LEU 153 CO 0.33 -3.02 0.83 0.03 -1.33 0.00 0.00 177.39 174.24 1kdk h ARG 154 N -2.42 1.05 -3.28 3.23 3.08 -1.91 -3.37 114.38 110.76 1kdk h ARG 154 Ca -0.56 -0.32 -0.53 0.00 0.07 0.00 0.00 59.98 58.63 1kdk h ARG 154 Cb 1.32 -0.10 -0.40 0.00 0.08 0.00 0.00 29.97 30.87 1kdk h ARG 154 CO 0.46 1.02 -0.76 -1.17 -1.07 0.00 0.00 179.97 178.44 1kdk s LEU 155 N -9.32 1.23 0.50 3.04 2.96 -1.26 -5.13 118.68 110.70 1kdk s LEU 155 Ca -0.11 -1.18 -0.22 0.00 -0.22 0.00 0.00 54.13 52.40 1kdk s LEU 155 Cb 0.14 -0.57 -0.08 0.00 0.50 0.00 0.00 46.19 46.18 1kdk s LEU 155 CO 0.85 -0.38 1.04 -2.65 -1.32 0.00 0.00 176.35 173.89 1kdk n PRO 156 N 5.07 1.27 -4.16 0.98 -0.02 -1.26 -5.02 135.00 131.86 1kdk n PRO 156 Ca -0.06 0.47 -0.10 0.00 -2.02 0.00 0.00 63.50 61.79 1kdk n PRO 156 Cb 0.44 -2.16 -0.10 0.00 -0.02 0.00 0.00 33.50 31.66 1kdk n PRO 156 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 1kdk s LEU 157 N -1.38 1.94 -0.30 2.45 0.05 -1.26 -5.10 118.68 115.08 1kdk s LEU 157 Ca 0.68 -1.17 -0.25 0.00 0.05 0.00 0.00 54.13 53.43 1kdk s LEU 157 Cb -0.49 0.20 0.01 0.00 -2.05 0.00 0.00 46.19 43.86 1kdk s LEU 157 CO 0.53 -0.67 0.88 -0.69 -0.55 0.00 0.00 176.35 175.85 1kdk s VAL 158 N -3.93 4.71 0.40 1.48 1.01 -1.26 -4.86 120.40 117.94 1kdk s VAL 158 Ca 0.22 1.39 0.08 0.00 0.00 0.00 0.00 61.98 63.68 1kdk s VAL 158 Cb 0.07 -4.23 0.20 0.00 0.00 0.00 0.00 36.38 32.43 1kdk s VAL 158 CO 0.01 -0.30 1.98 1.55 0.00 0.00 0.00 175.10 178.34 1kdk h PRO 159 N 8.05 0.37 -6.20 2.72 0.13 -1.91 -3.34 132.00 131.84 1kdk h PRO 159 Ca -0.23 -0.06 -0.56 0.00 -0.87 0.00 0.00 66.00 64.28 1kdk h PRO 159 Cb 1.08 -0.07 -0.03 0.00 0.13 0.00 0.00 31.00 32.12 1kdk h PRO 159 CO 0.93 0.37 0.91 0.00 -0.23 0.00 0.00 178.00 179.98 1kdk s ALA 160 N -5.06 3.63 -0.26 -0.56 0.00 -1.24 -0.34 121.76 117.93 1kdk s ALA 160 Ca -0.07 0.58 -0.10 0.00 0.00 0.00 0.00 51.96 52.38 1kdk s ALA 160 Cb 0.16 -3.63 -0.05 0.00 0.00 0.00 0.00 23.12 19.61 1kdk s ALA 160 CO 0.73 -1.16 0.15 -1.17 0.00 0.00 0.00 175.76 174.32 1kdk s LEU 161 N 3.40 3.91 -0.89 0.00 2.96 -1.26 -4.63 118.68 122.16 1kdk s LEU 161 Ca 0.59 -0.02 -0.19 0.00 -0.22 0.00 0.00 54.13 54.28 1kdk s LEU 161 Cb -0.25 -2.07 0.12 0.00 0.50 0.00 0.00 46.19 44.50 1kdk s LEU 161 CO 0.19 -0.01 1.10 -0.62 -1.32 0.00 0.00 176.35 175.68 1kdk s ASP 162 N 1.51 6.57 0.34 3.68 2.15 -1.26 -3.91 116.67 125.76 1kdk s ASP 162 Ca 0.07 -1.91 -0.14 0.00 0.43 0.00 0.00 52.55 50.99 1kdk s ASP 162 Cb -0.15 -2.40 0.03 0.00 -0.30 0.00 0.00 42.92 40.10 1kdk s ASP 162 CO 0.08 -1.11 0.69 -0.83 -0.17 0.00 0.00 175.17 173.83 1kdk s GLY 163 N 3.65 0.50 0.10 2.66 0.00 -1.26 -3.98 107.32 108.98 1kdk s GLY 163 Ca 0.31 -0.82 0.08 0.00 0.00 0.00 0.00 44.72 44.29 1kdk s GLY 163 CO -0.07 -0.43 -0.15 0.00 0.00 0.00 0.00 173.10 172.46 1kdk s LEU 165 N -2.03 1.90 0.22 0.00 2.96 0.30 -1.38 118.68 120.66 1kdk s LEU 165 Ca 0.19 -0.36 -0.09 0.00 -0.22 0.00 0.00 54.13 53.65 1kdk s LEU 165 Cb -0.11 -0.99 -0.02 0.00 0.50 0.00 0.00 46.19 45.58 1kdk s LEU 165 CO 0.11 0.14 0.35 0.00 -1.32 0.00 0.00 176.35 175.62 1kdk s ARG 166 N 0.13 1.40 -1.56 1.98 1.70 -0.56 -0.83 118.95 121.21 1kdk s ARG 166 Ca -0.06 -1.37 -0.12 0.00 -0.47 0.00 0.00 55.73 53.71 1kdk s ARG 166 Cb -0.12 0.40 0.09 0.00 -0.57 0.00 0.00 34.95 34.74 1kdk s ARG 166 CO 0.03 -0.54 0.76 0.54 -1.08 0.00 0.00 175.30 175.00 1kdk n ARG 167 N -0.33 -4.01 -3.48 3.89 1.74 -1.26 -1.18 116.66 112.03 1kdk n ARG 167 Ca -0.01 0.46 -0.35 0.00 -0.77 0.00 0.00 57.85 57.18 1kdk n ARG 167 Cb 0.63 -5.09 -0.06 0.00 -1.02 0.00 0.00 32.46 26.93 1kdk n ARG 167 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 1kdk s ASP 168 N -3.61 6.72 -0.09 0.55 3.84 -1.26 -4.12 116.67 118.70 1kdk s ASP 168 Ca 0.50 0.91 -0.03 0.00 -0.00 0.00 0.00 52.55 53.93 1kdk s ASP 168 Cb -0.27 -2.23 0.05 0.00 -1.38 0.00 0.00 42.92 39.10 1kdk s ASP 168 CO 0.88 0.15 0.17 -0.55 -0.00 0.00 0.00 175.17 175.83 1kdk s SER 169 N -1.71 0.43 -0.25 2.11 0.15 0.53 -4.99 113.70 109.98 1kdk s SER 169 Ca 0.34 0.37 -0.02 0.00 0.70 0.00 0.00 55.95 57.34 1kdk s SER 169 Cb -0.14 0.31 0.03 0.00 -1.71 0.00 0.00 66.02 64.50 1kdk s SER 169 CO 0.18 -0.22 -0.05 0.26 1.20 0.00 0.00 173.24 174.62 1kdk s TRP 170 N 1.98 3.09 0.00 3.44 0.52 -1.26 -1.00 118.94 125.70 1kdk s TRP 170 Ca -0.01 -1.55 0.00 0.00 0.02 0.00 0.00 56.10 54.57 1kdk s TRP 170 Cb -0.12 -2.07 0.00 0.00 -1.15 0.00 0.00 33.47 30.13 1kdk s TRP 170 CO -0.06 -0.73 0.00 1.28 0.02 0.00 0.00 176.95 177.46 1kdk n LEU 171 N 4.68 0.00 -4.29 2.99 4.77 -0.49 -4.19 117.00 120.46 1kdk n LEU 171 Ca -0.16 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.45 1kdk n LEU 171 Cb 0.47 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.43 1kdk n LEU 171 CO 0.27 0.00 -0.27 -0.62 -1.33 0.00 0.00 177.39 175.44 1kdk s ASP 172 N -4.00 5.20 0.56 -1.43 -1.08 -1.23 -4.77 116.67 109.93 1kdk s ASP 172 Ca 0.00 -1.00 0.24 0.00 -0.52 0.00 0.00 52.55 51.27 1kdk s ASP 172 Cb 0.00 -1.86 1.56 0.00 -1.46 0.00 0.00 42.92 41.16 1kdk s ASP 172 CO 0.00 -0.28 2.19 0.50 0.52 0.00 0.00 175.17 178.10 1kdk h LYS 173 N 8.21 0.00 0.00 4.34 3.64 -1.95 0.22 116.57 131.03 1kdk h LYS 173 Ca -0.26 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 1kdk h LYS 173 Cb 1.10 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 1kdk h LYS 173 CO 0.60 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.78 1kdk n GLN 174 N -4.15 0.12 -0.04 1.90 -0.00 -1.26 -1.98 117.38 111.97 1kdk n GLN 174 Ca -0.02 0.08 0.09 0.00 -0.00 0.00 0.00 57.00 57.15 1kdk n GLN 174 Cb 0.13 -1.50 0.10 0.00 -0.00 0.00 0.00 30.24 28.97 1kdk n GLN 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1kdk n ALA 175 N -1.43 2.45 -2.52 2.61 0.00 0.77 -4.96 120.51 117.43 1kdk n ALA 175 Ca 0.08 -0.72 -0.42 0.00 0.00 0.00 0.00 53.44 52.37 1kdk n ALA 175 Cb 0.25 -0.63 -0.03 0.00 0.00 0.00 0.00 19.45 19.04 1kdk n ALA 175 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1kdk s GLU 176 N -1.45 4.35 -0.06 0.00 2.12 -0.84 -1.11 118.70 121.71 1kdk s GLU 176 Ca 0.23 1.59 -0.06 0.00 0.36 0.00 0.00 54.97 57.09 1kdk s GLU 176 Cb 0.16 -3.58 -0.28 0.00 0.26 0.00 0.00 34.13 30.69 1kdk s GLU 176 CO 0.23 -0.45 0.60 0.82 -0.54 0.00 0.00 175.26 175.93 1kdk h ILE 177 N 5.10 0.86 -1.96 -3.70 2.04 -0.91 -3.48 117.51 115.46 1kdk h ILE 177 Ca -0.32 -2.52 0.10 0.00 1.00 0.00 0.00 64.86 63.11 1kdk h ILE 177 Cb 1.15 2.65 -0.19 0.00 -0.74 0.00 0.00 36.82 39.69 1kdk h ILE 177 CO 0.89 0.84 0.51 -0.94 0.00 0.00 0.00 178.15 179.44 1kdk s SER 178 N -7.05 -0.37 -0.02 1.72 1.04 -1.20 -5.00 113.70 102.82 1kdk s SER 178 Ca -0.16 0.19 0.03 0.00 0.48 0.00 0.00 55.95 56.49 1kdk s SER 178 Cb 0.06 0.35 -0.00 0.00 0.10 0.00 0.00 66.02 66.53 1kdk s SER 178 CO 0.82 -0.50 -0.09 0.00 0.98 0.00 0.00 173.24 174.46 1kdk s ALA 179 N -2.21 0.79 -0.01 5.32 0.00 -1.26 -0.69 121.76 123.70 1kdk s ALA 179 Ca 0.02 -0.35 0.01 0.00 0.00 0.00 0.00 51.96 51.63 1kdk s ALA 179 Cb -0.01 -0.25 0.01 0.00 0.00 0.00 0.00 23.12 22.87 1kdk s ALA 179 CO -0.04 0.16 -0.03 0.45 0.00 0.00 0.00 175.76 176.31 1kdk s SER 180 N -0.01 0.46 -0.10 0.00 0.15 0.56 -5.00 113.70 109.76 1kdk s SER 180 Ca 0.00 -0.06 0.02 0.00 0.70 0.00 0.00 55.95 56.62 1kdk s SER 180 Cb -0.06 -0.13 -0.01 0.00 -1.71 0.00 0.00 66.02 64.11 1kdk s SER 180 CO -0.00 -0.01 -0.17 0.00 1.20 0.00 0.00 173.24 174.26 1kdk s ALA 181 N 0.32 2.47 -1.35 5.45 0.00 -1.26 -0.53 121.76 126.85 1kdk s ALA 181 Ca -0.03 -0.95 0.21 0.00 0.00 0.00 0.00 51.96 51.19 1kdk s ALA 181 Cb -0.06 -1.01 1.03 0.00 0.00 0.00 0.00 23.12 23.08 1kdk s ALA 181 CO -0.01 0.34 1.67 -2.30 0.00 0.00 0.00 175.76 175.46 1kdk n PRO 182 N 3.22 0.25 -1.77 0.00 -0.02 -1.26 -4.88 135.00 130.54 1kdk n PRO 182 Ca -0.18 0.10 -0.02 0.00 -2.02 0.00 0.00 63.50 61.38 1kdk n PRO 182 Cb 0.53 -1.50 0.01 0.00 -0.02 0.00 0.00 33.50 32.51 1kdk n PRO 182 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1kdk n THR 183 N -1.32 0.00 -3.08 3.45 -2.24 -1.26 -5.15 114.28 104.68 1kdk n THR 183 Ca 0.09 -0.25 -0.39 0.00 -2.27 0.00 0.00 64.05 61.22 1kdk n THR 183 Cb 0.18 0.26 -0.06 0.00 -2.10 0.00 0.00 70.33 68.61 1kdk n THR 183 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1kdk s SER 184 N -1.56 7.17 -0.24 3.42 0.15 -1.26 -5.03 113.70 116.35 1kdk s SER 184 Ca 0.04 1.40 -0.29 0.00 0.70 0.00 0.00 55.95 57.80 1kdk s SER 184 Cb -0.01 -2.43 0.01 0.00 -1.71 0.00 0.00 66.02 61.88 1kdk s SER 184 CO 0.03 0.12 1.05 -0.76 1.20 0.00 0.00 173.24 174.88 1kdk s LEU 185 N -0.51 4.07 0.23 3.45 1.43 -1.26 -5.04 118.68 121.06 1kdk s LEU 185 Ca 0.35 1.33 -0.17 0.00 -1.03 0.00 0.00 54.13 54.60 1kdk s LEU 185 Cb -0.20 -3.54 -0.08 0.00 0.03 0.00 0.00 46.19 42.39 1kdk s LEU 185 CO 0.22 -0.70 0.69 0.00 0.23 0.00 0.00 176.35 176.78 1kdk s ARG 186 N 3.27 4.13 0.42 1.70 1.70 -1.26 -4.96 118.95 123.95 1kdk s ARG 186 Ca 0.44 0.73 -0.06 0.00 -0.47 0.00 0.00 55.73 56.38 1kdk s ARG 186 Cb -0.15 -2.78 -0.04 0.00 -0.57 0.00 0.00 34.95 31.41 1kdk s ARG 186 CO 0.07 0.35 0.72 0.45 -1.08 0.00 0.00 175.30 175.82 1kdk s SER 187 N -1.83 6.35 0.00 -2.89 0.15 -1.26 -0.70 113.70 113.53 1kdk s SER 187 Ca 0.45 0.89 0.24 0.00 0.70 0.00 0.00 55.95 58.23 1kdk s SER 187 Cb -0.15 -2.23 0.19 0.00 -1.71 0.00 0.00 66.02 62.13 1kdk s SER 187 CO 0.20 -0.45 1.25 0.00 1.20 0.00 0.00 173.24 175.44