#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kvh n LYS 10 N 0.00 2.35 -3.74 1.96 2.85 -1.26 -4.86 118.16 115.46 3kvh n LYS 10 Ca 0.00 0.85 -0.33 0.00 -1.05 0.00 0.00 58.31 57.77 3kvh n LYS 10 Cb 0.00 -2.62 -0.05 0.00 -0.65 0.00 0.00 35.03 31.71 3kvh n LYS 10 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 177.40 176.21 3kvh s GLN 11 N 0.66 3.59 0.01 -1.58 0.74 -1.26 -1.09 119.66 120.72 3kvh s GLN 11 Ca 0.75 -0.11 -0.03 0.00 0.05 0.00 0.00 55.36 56.02 3kvh s GLN 11 Cb -0.61 -3.01 -0.01 0.00 1.10 0.00 0.00 33.01 30.48 3kvh s GLN 11 CO 0.39 0.59 0.05 -1.50 -0.55 0.00 0.00 175.29 174.27 3kvh s ILE 12 N -1.43 0.08 0.56 -2.34 2.07 -0.56 -4.90 121.20 114.67 3kvh s ILE 12 Ca 0.32 -0.68 -0.19 0.00 -1.41 0.00 0.00 60.65 58.70 3kvh s ILE 12 Cb -0.13 -0.30 -0.05 0.00 0.13 0.00 0.00 42.46 42.11 3kvh s ILE 12 CO 0.20 -0.37 1.11 -0.94 -1.91 0.00 0.00 174.94 173.03 3kvh s SER 13 N -1.19 5.70 0.16 4.50 1.04 -1.26 -3.87 113.70 118.79 3kvh s SER 13 Ca -0.13 2.11 -0.17 0.00 0.48 0.00 0.00 55.95 58.24 3kvh s SER 13 Cb -0.08 -2.57 0.08 0.00 0.10 0.00 0.00 66.02 63.55 3kvh s SER 13 CO 0.00 -1.23 1.69 -0.09 0.98 0.00 0.00 173.24 174.60 3kvh h ARG 14 N 1.03 0.07 -0.08 4.02 2.43 -1.97 -0.02 114.38 119.86 3kvh h ARG 14 Ca -0.49 -0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 58.56 3kvh h ARG 14 Cb 1.25 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.77 3kvh h ARG 14 CO 0.57 0.05 -0.45 -0.39 -1.51 0.00 0.00 179.97 178.24 3kvh h VAL 15 N 0.07 1.32 -0.18 0.20 -1.51 -1.99 -1.75 116.25 112.42 3kvh h VAL 15 Ca 0.18 -1.59 -0.19 0.00 -1.23 0.00 0.00 66.70 63.86 3kvh h VAL 15 Cb 0.25 1.76 0.00 0.00 -2.13 0.00 0.00 31.29 31.17 3kvh h VAL 15 CO -0.32 0.47 -0.66 -0.33 -1.23 0.00 0.00 177.57 175.51 3kvh h GLU 16 N 0.16 0.67 -0.80 5.19 5.08 -1.88 -3.10 114.58 119.90 3kvh h GLU 16 Ca 0.01 -0.48 0.03 0.00 -1.00 0.00 0.00 59.36 57.92 3kvh h GLU 16 Cb 0.85 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.14 3kvh h GLU 16 CO 0.07 1.10 0.53 0.00 -1.00 0.00 0.00 179.01 179.71 3kvh h ALA 17 N 0.78 1.51 0.00 3.43 0.00 -0.67 -1.75 119.26 122.56 3kvh h ALA 17 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3kvh h ALA 17 Cb 1.25 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3kvh h ALA 17 CO 0.13 0.41 0.00 0.52 0.00 0.00 0.00 179.25 180.30 3kvh h MET 18 N 0.99 0.00 -0.01 0.00 2.86 -1.25 -2.65 114.93 114.87 3kvh h MET 18 Ca 0.32 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.96 3kvh h MET 18 Cb 0.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.70 3kvh h MET 18 CO -0.09 0.00 -0.25 0.54 1.06 0.00 0.00 176.91 178.17 3kvh n ARG 19 N -2.65 1.07 -1.80 1.72 1.74 -0.66 -4.97 116.66 111.12 3kvh n ARG 19 Ca 0.01 -0.69 -0.36 0.00 -0.77 0.00 0.00 57.85 56.04 3kvh n ARG 19 Cb 0.22 -1.49 0.06 0.00 -1.02 0.00 0.00 32.46 30.23 3kvh n ARG 19 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3kvh s LEU 20 N -2.41 3.54 0.88 0.55 1.43 -1.00 -4.97 118.68 116.70 3kvh s LEU 20 Ca 0.25 2.41 -0.12 0.00 -1.03 0.00 0.00 54.13 55.65 3kvh s LEU 20 Cb 0.19 -4.60 0.10 0.00 0.03 0.00 0.00 46.19 41.92 3kvh s LEU 20 CO 0.49 -1.85 1.03 0.61 0.23 0.00 0.00 176.35 176.86 3kvh n GLY 21 N 0.51 -0.54 0.16 -3.19 0.00 -1.26 -4.85 105.19 96.01 3kvh n GLY 21 Ca 0.14 -0.63 0.08 0.00 0.00 0.00 0.00 46.02 45.62 3kvh n GLY 21 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kvh n PRO 22 N -3.37 0.11 0.03 1.61 -0.02 -1.26 -1.37 135.00 130.72 3kvh n PRO 22 Ca 0.12 0.59 0.10 0.00 -2.02 0.00 0.00 63.50 62.29 3kvh n PRO 22 Cb 0.52 -2.05 0.43 0.00 -0.02 0.00 0.00 33.50 32.38 3kvh n PRO 22 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kvh n GLY 23 N -1.28 -1.24 3.72 -1.23 0.00 -1.26 -4.74 105.19 99.15 3kvh n GLY 23 Ca -0.01 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 3kvh n GLY 23 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3kvh s TRP 24 N -3.06 3.50 0.21 1.61 0.52 -0.47 -4.93 118.94 116.32 3kvh s TRP 24 Ca 0.09 0.81 -0.08 0.00 0.02 0.00 0.00 56.10 56.94 3kvh s TRP 24 Cb 0.12 -2.50 -0.07 0.00 -1.15 0.00 0.00 33.47 29.88 3kvh s TRP 24 CO 0.39 0.18 0.50 -1.12 0.02 0.00 0.00 176.95 176.93 3kvh s SER 25 N 0.59 6.57 -0.11 2.95 0.01 -0.86 -4.97 113.70 117.88 3kvh s SER 25 Ca 0.24 0.81 0.03 0.00 1.31 0.00 0.00 55.95 58.34 3kvh s SER 25 Cb -0.15 -2.18 0.01 0.00 0.21 0.00 0.00 66.02 63.91 3kvh s SER 25 CO 0.09 -0.06 -0.22 -1.00 0.41 0.00 0.00 173.24 172.46 3kvh s HIS 26 N -1.81 2.47 -0.02 2.43 3.76 -1.26 -1.25 115.29 119.61 3kvh s HIS 26 Ca 0.45 -1.10 0.04 0.00 -0.15 0.00 0.00 55.06 54.30 3kvh s HIS 26 Cb -0.11 -1.68 -0.03 0.00 1.11 0.00 0.00 32.58 31.87 3kvh s HIS 26 CO 0.23 -0.48 -0.13 -1.54 -0.85 0.00 0.00 174.74 171.97 3kvh s SER 27 N 0.57 4.13 -0.06 1.40 1.04 -0.40 -0.80 113.70 119.57 3kvh s SER 27 Ca -0.14 -0.23 0.03 0.00 0.48 0.00 0.00 55.95 56.10 3kvh s SER 27 Cb -0.17 -0.86 0.01 0.00 0.10 0.00 0.00 66.02 65.10 3kvh s SER 27 CO 0.04 0.31 -0.14 0.00 0.98 0.00 0.00 173.24 174.44 3kvh s HIS 29 N 0.48 0.61 -0.11 0.00 3.76 -0.37 -1.34 115.29 118.32 3kvh s HIS 29 Ca -0.12 -0.58 0.03 0.00 -0.15 0.00 0.00 55.06 54.23 3kvh s HIS 29 Cb -0.15 -0.38 -0.00 0.00 1.11 0.00 0.00 32.58 33.16 3kvh s HIS 29 CO 0.04 -0.12 -0.21 0.00 -0.85 0.00 0.00 174.74 173.60 3kvh s ALA 30 N -1.78 2.30 -0.52 -1.40 0.00 -0.28 -1.02 121.76 119.07 3kvh s ALA 30 Ca -0.08 -0.96 -0.16 0.00 0.00 0.00 0.00 51.96 50.76 3kvh s ALA 30 Cb -0.07 -0.94 0.11 0.00 0.00 0.00 0.00 23.12 22.21 3kvh s ALA 30 CO -0.01 0.24 0.47 1.41 0.00 0.00 0.00 175.76 177.87 3kvh s MET 31 N 0.40 2.99 -0.14 0.00 0.00 0.59 -3.99 119.30 119.14 3kvh s MET 31 Ca -0.16 -1.56 -0.16 0.00 0.00 0.00 0.00 55.69 53.81 3kvh s MET 31 Cb -0.17 -4.24 -0.04 0.00 0.00 0.00 0.00 34.83 30.38 3kvh s MET 31 CO 0.07 -1.22 0.37 -0.51 0.00 0.00 0.00 175.02 173.73 3kvh s LEU 32 N 1.65 4.26 0.10 4.11 1.43 -1.26 -1.63 118.68 127.33 3kvh s LEU 32 Ca 0.04 0.64 -0.09 0.00 -1.03 0.00 0.00 54.13 53.69 3kvh s LEU 32 Cb -0.28 -2.51 -0.00 0.00 0.03 0.00 0.00 46.19 43.43 3kvh s LEU 32 CO 0.04 0.05 0.22 -0.72 0.23 0.00 0.00 176.35 176.17 3kvh s TYR 33 N 0.55 0.18 -0.02 0.29 -0.85 -0.95 -1.44 117.35 115.11 3kvh s TYR 33 Ca 0.21 -0.60 -0.07 0.00 -0.52 0.00 0.00 57.07 56.09 3kvh s TYR 33 Cb -0.14 -0.05 0.01 0.00 0.38 0.00 0.00 41.96 42.16 3kvh s TYR 33 CO 0.07 -0.58 0.16 0.00 -1.52 0.00 0.00 175.55 173.67 3kvh s ALA 34 N -3.88 -0.38 0.31 9.51 0.00 -0.30 -0.25 121.76 126.77 3kvh s ALA 34 Ca 0.07 0.09 -0.30 0.00 0.00 0.00 0.00 51.96 51.83 3kvh s ALA 34 Cb 0.04 -0.02 -0.11 0.00 0.00 0.00 0.00 23.12 23.03 3kvh s ALA 34 CO -0.09 -0.17 1.56 0.00 0.00 0.00 0.00 175.76 177.06 3kvh s ALA 35 N -0.90 3.70 -0.25 0.00 0.00 -1.26 -0.90 121.76 122.15 3kvh s ALA 35 Ca -0.10 1.57 -0.00 0.00 0.00 0.00 0.00 51.96 53.42 3kvh s ALA 35 Cb -0.05 -3.64 0.07 0.00 0.00 0.00 0.00 23.12 19.50 3kvh s ALA 35 CO 0.01 -0.99 0.01 1.21 0.00 0.00 0.00 175.76 176.00 3kvh s ASN 36 N 0.34 3.71 0.00 0.00 3.84 0.00 -4.37 114.94 118.46 3kvh s ASN 36 Ca 0.61 -1.26 0.19 0.00 0.21 0.00 0.00 52.86 52.61 3kvh s ASN 36 Cb -0.47 -0.99 1.04 0.00 -0.55 0.00 0.00 41.25 40.28 3kvh s ASN 36 CO 0.51 -0.30 1.68 -0.81 -2.79 0.00 0.00 177.10 175.39 3kvh n PRO 37 N 4.78 1.12 -1.39 0.43 -0.04 -1.26 -1.96 135.00 136.67 3kvh n PRO 37 Ca -0.08 -0.17 -0.33 0.00 -0.04 0.00 0.00 63.50 62.88 3kvh n PRO 37 Cb 0.44 -1.30 0.09 0.00 -0.04 0.00 0.00 33.50 32.69 3kvh n PRO 37 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3kvh s GLY 38 N -1.57 2.05 -0.23 0.55 0.00 -1.26 -4.88 107.32 101.98 3kvh s GLY 38 Ca 0.28 0.61 -0.00 0.00 0.00 0.00 0.00 44.72 45.61 3kvh s GLY 38 CO 0.22 0.99 -0.01 1.20 0.00 0.00 0.00 173.10 175.50 3kvh s GLN 39 N -4.27 1.24 0.21 2.90 -1.52 -1.26 -1.71 119.66 115.25 3kvh s GLN 39 Ca 0.68 -0.85 -0.31 0.00 -1.95 0.00 0.00 55.36 52.94 3kvh s GLN 39 Cb -0.23 -2.41 -0.10 0.00 -0.22 0.00 0.00 33.01 30.05 3kvh s GLN 39 CO 0.48 -0.65 1.53 -1.17 -0.25 0.00 0.00 175.29 175.22 3kvh s LEU 40 N 1.54 4.37 -1.33 2.90 2.96 0.37 -1.04 118.68 128.46 3kvh s LEU 40 Ca -0.03 2.68 0.00 0.00 -0.22 0.00 0.00 54.13 56.56 3kvh s LEU 40 Cb -0.18 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.90 3kvh s LEU 40 CO -0.08 -0.79 0.00 0.49 -1.32 0.00 0.00 176.35 174.64 3kvh n PHE 41 N 3.16 -0.74 -1.23 5.38 3.72 -1.26 -1.54 117.46 124.96 3kvh n PHE 41 Ca 0.11 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.43 3kvh n PHE 41 Cb 0.39 -2.73 -0.03 0.00 -0.94 0.00 0.00 39.48 36.17 3kvh n PHE 41 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kvh n GLY 42 N -0.48 0.88 0.00 1.37 0.00 -0.21 -4.80 105.19 101.95 3kvh n GLY 42 Ca -0.14 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.69 3kvh n GLY 42 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3kvh n ARG 43 N -1.52 4.53 -3.68 1.61 1.85 -0.59 -5.00 116.66 113.88 3kvh n ARG 43 Ca -0.08 0.00 -0.39 0.00 -1.00 0.00 0.00 57.85 56.38 3kvh n ARG 43 Cb 0.41 -0.38 -0.12 0.00 -1.05 0.00 0.00 32.46 31.33 3kvh n ARG 43 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 3kvh s ILE 44 N 0.00 4.21 0.07 8.89 1.01 -0.64 -4.92 121.20 129.81 3kvh s ILE 44 Ca 0.00 -0.93 -0.31 0.00 0.00 0.00 0.00 60.65 59.41 3kvh s ILE 44 Cb 0.00 -3.34 -0.08 0.00 0.01 0.00 0.00 42.46 39.05 3kvh s ILE 44 CO 0.00 -0.17 1.58 -2.84 0.00 0.00 0.00 174.94 173.51 3kvh s PRO 45 N 1.49 4.22 0.13 2.79 0.02 -1.26 -0.48 135.00 141.91 3kvh s PRO 45 Ca 0.01 2.25 -0.01 0.00 0.02 0.00 0.00 61.00 63.27 3kvh s PRO 45 Cb -0.19 -3.53 -0.12 0.00 0.02 0.00 0.00 34.50 30.68 3kvh s PRO 45 CO 0.05 -0.68 1.29 0.52 -0.33 0.00 0.00 177.00 177.85 3kvh h MET 46 N 8.01 0.27 0.00 5.54 2.86 -1.53 -3.43 114.93 126.66 3kvh h MET 46 Ca -0.42 -0.34 0.00 0.00 -2.06 0.00 0.00 59.70 56.88 3kvh h MET 46 Cb 1.20 0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.97 3kvh h MET 46 CO 0.92 1.07 0.00 0.54 1.06 0.00 0.00 176.91 180.50 3kvh n ARG 47 N -3.64 0.00 -4.02 1.72 1.74 -0.83 -4.55 116.66 107.09 3kvh n ARG 47 Ca -0.06 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.94 3kvh n ARG 47 Cb 0.88 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 32.21 3kvh n ARG 47 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3kvh s PHE 48 N 0.00 0.36 -0.10 -1.55 0.08 -1.26 -0.82 117.98 114.69 3kvh s PHE 48 Ca 0.00 -0.74 0.03 0.00 0.12 0.00 0.00 56.93 56.35 3kvh s PHE 48 Cb 0.00 -0.26 -0.00 0.00 -0.57 0.00 0.00 43.02 42.18 3kvh s PHE 48 CO 0.00 -0.28 -0.22 -1.12 -0.10 0.00 0.00 175.22 173.50 3kvh s SER 49 N -2.10 3.28 0.00 1.36 0.01 -0.07 -4.54 113.70 111.64 3kvh s SER 49 Ca -0.06 -0.50 0.07 0.00 1.31 0.00 0.00 55.95 56.77 3kvh s SER 49 Cb -0.02 -1.37 -0.03 0.00 0.21 0.00 0.00 66.02 64.81 3kvh s SER 49 CO -0.05 0.17 -0.22 -0.69 0.41 0.00 0.00 173.24 172.87 3kvh s VAL 50 N 0.26 2.46 -0.18 3.43 1.01 -1.26 -1.15 120.40 124.98 3kvh s VAL 50 Ca -0.15 -1.10 -0.13 0.00 0.00 0.00 0.00 61.98 60.61 3kvh s VAL 50 Cb -0.17 -1.95 -0.05 0.00 0.00 0.00 0.00 36.38 34.22 3kvh s VAL 50 CO 0.08 0.48 0.24 -0.76 0.00 0.00 0.00 175.10 175.14 3kvh s LEU 51 N -0.95 4.21 0.00 3.92 1.43 -0.52 -0.79 118.68 125.98 3kvh s LEU 51 Ca 0.12 0.39 0.03 0.00 -1.03 0.00 0.00 54.13 53.63 3kvh s LEU 51 Cb -0.10 -2.27 -0.01 0.00 0.03 0.00 0.00 46.19 43.84 3kvh s LEU 51 CO 0.01 0.11 0.09 0.23 0.23 0.00 0.00 176.35 177.02 3kvh n MET 52 N 3.69 0.73 -3.72 1.70 2.81 -0.26 -4.54 117.12 117.53 3kvh n MET 52 Ca -0.13 -2.70 -0.11 0.00 -1.81 0.00 0.00 57.70 52.94 3kvh n MET 52 Cb 0.52 1.33 -0.06 0.00 -0.71 0.00 0.00 33.22 34.29 3kvh n MET 52 CO 0.00 0.00 0.00 1.14 1.51 0.00 0.00 175.97 178.62 3kvh s GLN 53 N -3.24 0.89 -0.22 0.03 -2.07 0.27 -0.90 119.66 114.42 3kvh s GLN 53 Ca 0.13 -0.55 -0.26 0.00 -1.82 0.00 0.00 55.36 52.86 3kvh s GLN 53 Cb 0.01 0.39 -0.00 0.00 -1.09 0.00 0.00 33.01 32.31 3kvh s GLN 53 CO 0.09 -0.31 0.89 1.41 -1.32 0.00 0.00 175.29 176.06 3kvh s MET 54 N -2.91 4.23 0.58 9.60 -2.45 0.32 -1.32 119.30 127.34 3kvh s MET 54 Ca -0.02 1.08 -0.06 0.00 -1.25 0.00 0.00 55.69 55.43 3kvh s MET 54 Cb 0.00 -3.63 0.00 0.00 1.25 0.00 0.00 34.83 32.45 3kvh s MET 54 CO -0.06 -0.51 0.90 1.03 1.05 0.00 0.00 175.02 177.43 3kvh s ARG 55 N 2.80 3.04 0.58 4.11 0.52 -0.12 -0.35 118.95 129.53 3kvh s ARG 55 Ca 0.38 0.07 0.29 0.00 -0.52 0.00 0.00 55.73 55.95 3kvh s ARG 55 Cb -0.15 -2.27 1.50 0.00 0.52 0.00 0.00 34.95 34.54 3kvh s ARG 55 CO 0.08 -0.63 1.94 0.27 0.02 0.00 0.00 175.30 176.98 3kvh h PHE 56 N -0.14 0.00 -0.43 -0.53 -5.15 -1.46 -1.05 116.94 108.17 3kvh h PHE 56 Ca -0.46 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.31 3kvh h PHE 56 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.42 3kvh h PHE 56 CO 0.50 0.00 0.00 -0.40 -2.00 0.00 0.00 178.31 176.41 3kvh n ASP 57 N -3.81 2.56 0.00 -0.68 5.68 -1.26 -4.90 116.55 114.14 3kvh n ASP 57 Ca 0.08 -2.07 0.00 0.00 -0.50 0.00 0.00 54.79 52.30 3kvh n ASP 57 Cb 0.62 -0.34 0.00 0.00 -1.14 0.00 0.00 41.12 40.27 3kvh n ASP 57 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kvh n GLY 58 N 1.10 0.53 3.59 6.12 0.00 -0.40 -5.05 105.19 111.09 3kvh n GLY 58 Ca 0.15 -0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 3kvh n GLY 58 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kvh s LEU 59 N 0.00 3.06 0.25 0.99 1.43 -1.26 -4.90 118.68 118.26 3kvh s LEU 59 Ca 0.00 -0.40 -0.30 0.00 -1.03 0.00 0.00 54.13 52.40 3kvh s LEU 59 Cb 0.00 -1.84 -0.09 0.00 0.03 0.00 0.00 46.19 44.29 3kvh s LEU 59 CO 0.00 0.16 0.94 -0.76 0.23 0.00 0.00 176.35 176.92 3kvh s LEU 60 N -2.33 4.62 0.39 1.79 1.43 -0.13 -0.94 118.68 123.51 3kvh s LEU 60 Ca 0.22 1.93 -0.12 0.00 -1.03 0.00 0.00 54.13 55.14 3kvh s LEU 60 Cb -0.11 -3.65 0.05 0.00 0.03 0.00 0.00 46.19 42.51 3kvh s LEU 60 CO 0.14 0.14 0.73 -0.83 0.23 0.00 0.00 176.35 176.76 3kvh s GLY 61 N -1.23 0.70 0.28 -3.19 0.00 -0.44 -0.90 107.32 102.54 3kvh s GLY 61 Ca 0.42 -0.98 -0.15 0.00 0.00 0.00 0.00 44.72 44.00 3kvh s GLY 61 CO 0.31 -0.49 0.70 -1.36 0.00 0.00 0.00 173.10 172.25 3kvh s PHE 62 N -2.29 3.45 0.24 1.90 0.08 -1.26 -0.57 117.98 119.54 3kvh s PHE 62 Ca 0.19 1.20 -0.29 0.00 0.12 0.00 0.00 56.93 58.15 3kvh s PHE 62 Cb -0.04 -2.50 -0.15 0.00 -0.57 0.00 0.00 43.02 39.76 3kvh s PHE 62 CO 0.14 0.19 0.95 -2.30 -0.10 0.00 0.00 175.22 174.10 3kvh n PRO 63 N -0.04 1.05 0.00 0.24 -0.02 -1.26 -4.78 135.00 130.19 3kvh n PRO 63 Ca 0.01 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 3kvh n PRO 63 Cb 0.53 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.31 3kvh n PRO 63 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kvh n GLY 64 N 1.53 0.92 0.00 -1.23 0.00 -1.23 -1.13 105.19 104.06 3kvh n GLY 64 Ca 0.12 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.21 3kvh n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kvh n GLY 65 N 0.00 -1.20 3.75 -0.02 0.00 -0.45 -4.73 105.19 102.55 3kvh n GLY 65 Ca 0.00 -1.07 -0.41 0.00 0.00 0.00 0.00 46.02 44.55 3kvh n GLY 65 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kvh s PHE 66 N -3.00 3.49 -0.19 1.61 0.08 -1.26 -1.05 117.98 117.66 3kvh s PHE 66 Ca 0.00 1.60 -0.04 0.00 0.12 0.00 0.00 56.93 58.61 3kvh s PHE 66 Cb 0.00 -3.36 -0.02 0.00 -0.57 0.00 0.00 43.02 39.07 3kvh s PHE 66 CO 0.00 -0.84 -0.02 0.08 -0.10 0.00 0.00 175.22 174.35 3kvh s VAL 67 N -0.83 3.85 -0.58 -0.44 1.01 0.02 -4.92 120.40 118.51 3kvh s VAL 67 Ca 0.47 -0.35 -0.26 0.00 0.00 0.00 0.00 61.98 61.84 3kvh s VAL 67 Cb -0.33 -2.72 0.04 0.00 0.00 0.00 0.00 36.38 33.37 3kvh s VAL 67 CO 0.41 0.45 1.05 -0.62 0.00 0.00 0.00 175.10 176.39 3kvh s ASP 68 N 0.83 6.35 0.00 3.32 -1.08 -1.26 -4.49 116.67 120.33 3kvh s ASP 68 Ca -0.00 -0.26 0.18 0.00 -0.52 0.00 0.00 52.55 51.95 3kvh s ASP 68 Cb -0.14 -2.48 0.84 0.00 -1.46 0.00 0.00 42.92 39.67 3kvh s ASP 68 CO 0.02 -1.38 1.57 0.54 0.52 0.00 0.00 175.17 176.44 3kvh n ARG 69 N 7.95 0.11 0.27 4.34 1.74 -1.26 -1.59 116.66 128.23 3kvh n ARG 69 Ca 0.04 0.16 0.16 0.00 -0.77 0.00 0.00 57.85 57.43 3kvh n ARG 69 Cb 0.48 -1.50 0.75 0.00 -1.02 0.00 0.00 32.46 31.17 3kvh n ARG 69 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kvh h ARG 70 N 0.00 0.00 0.00 5.56 3.08 -2.01 -3.34 114.38 117.66 3kvh h ARG 70 Ca 0.00 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.87 3kvh h ARG 70 Cb 0.25 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.27 3kvh h ARG 70 CO 0.00 0.08 -1.67 1.19 -1.07 0.00 0.00 179.97 178.49 3kvh n PHE 71 N -3.31 0.00 -4.26 3.04 3.72 -0.62 -5.09 117.46 110.94 3kvh n PHE 71 Ca -0.01 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.21 3kvh n PHE 71 Cb 0.27 -0.45 -0.13 0.00 -0.94 0.00 0.00 39.48 38.22 3kvh n PHE 71 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 3kvh s TRP 72 N -2.24 1.04 1.06 1.38 0.52 -0.87 -5.05 118.94 114.78 3kvh s TRP 72 Ca -0.16 -0.36 -0.12 0.00 0.02 0.00 0.00 56.10 55.48 3kvh s TRP 72 Cb 0.04 -0.62 0.23 0.00 -1.15 0.00 0.00 33.47 31.97 3kvh s TRP 72 CO 0.27 0.01 1.08 -1.54 0.02 0.00 0.00 176.95 176.79 3kvh s SER 73 N -1.18 1.76 0.26 2.95 1.04 -1.26 -4.29 113.70 112.98 3kvh s SER 73 Ca -0.01 1.80 -0.03 0.00 0.48 0.00 0.00 55.95 58.19 3kvh s SER 73 Cb -0.08 -2.42 0.38 0.00 0.10 0.00 0.00 66.02 64.00 3kvh s SER 73 CO 0.01 -3.76 1.89 -0.07 0.98 0.00 0.00 173.24 172.29 3kvh h LEU 74 N -2.32 1.06 -0.03 2.42 3.38 -1.98 -0.35 115.31 117.48 3kvh h LEU 74 Ca -0.54 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.26 3kvh h LEU 74 Cb 1.31 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 41.84 3kvh h LEU 74 CO 0.47 0.69 -0.64 -0.33 0.09 0.00 0.00 178.44 178.73 3kvh h GLU 75 N 1.21 0.48 -0.54 1.13 3.07 -1.92 -0.91 114.58 117.10 3kvh h GLU 75 Ca 0.42 -0.48 -0.05 0.00 -0.50 0.00 0.00 59.36 58.75 3kvh h GLU 75 Cb 0.11 0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.12 3kvh h GLU 75 CO -0.16 1.12 0.11 -0.44 -1.40 0.00 0.00 179.01 178.25 3kvh h ASP 76 N 0.03 0.79 0.00 1.42 3.32 -1.86 -2.74 116.42 117.38 3kvh h ASP 76 Ca -0.07 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 56.83 3kvh h ASP 76 Cb 1.32 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.67 3kvh h ASP 76 CO 0.13 0.78 -0.00 1.23 -1.72 0.00 0.00 179.24 179.66 3kvh h GLY 77 N 0.98 -0.00 -0.58 2.75 0.00 -1.06 -3.15 103.07 102.00 3kvh h GLY 77 Ca 0.17 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.61 3kvh h GLY 77 CO 0.00 -0.00 -0.40 -2.00 0.00 0.00 0.00 176.54 174.14 3kvh h LEU 78 N -0.39 -1.41 -2.44 3.11 5.85 -1.07 -0.57 115.31 118.40 3kvh h LEU 78 Ca -0.00 0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.97 3kvh h LEU 78 Cb 0.39 0.67 -0.00 0.00 0.37 0.00 0.00 40.66 42.09 3kvh h LEU 78 CO 0.00 -0.31 -0.01 0.78 -0.34 0.00 0.00 178.44 178.56 3kvh h ASN 79 N -0.16 0.00 0.39 1.25 2.35 -1.51 -2.00 115.58 115.90 3kvh h ASN 79 Ca 0.22 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 3kvh h ASN 79 Cb 0.56 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.93 3kvh h ASN 79 CO -0.75 0.01 -0.67 0.54 -1.65 0.00 0.00 177.43 174.91 3kvh n ARG 80 N -3.18 0.04 -0.12 0.81 1.74 -0.27 -4.33 116.66 111.35 3kvh n ARG 80 Ca -0.02 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.10 3kvh n ARG 80 Cb 0.15 -1.52 0.10 0.00 -1.02 0.00 0.00 32.46 30.18 3kvh n ARG 80 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 3kvh n VAL 81 N -1.57 1.08 0.05 1.55 0.24 -0.76 -4.69 118.33 114.23 3kvh n VAL 81 Ca 0.05 -1.07 -0.04 0.00 -2.04 0.00 0.00 64.34 61.24 3kvh n VAL 81 Cb 0.35 0.45 0.19 0.00 -1.47 0.00 0.00 33.84 33.36 3kvh n VAL 81 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 3kvh h LEU 82 N 1.20 0.40 0.07 1.34 3.38 -1.73 -3.27 115.31 116.71 3kvh h LEU 82 Ca 0.00 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 3kvh h LEU 82 Cb 0.68 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 3kvh h LEU 82 CO 0.01 0.73 -0.03 0.61 0.09 0.00 0.00 178.44 179.85 3kvh n GLY 83 N -0.22 0.47 0.71 0.83 0.00 -1.26 -3.78 105.19 101.93 3kvh n GLY 83 Ca -0.01 -0.17 0.12 0.00 0.00 0.00 0.00 46.02 45.95 3kvh n GLY 83 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kvh n LEU 84 N -0.17 2.14 -0.91 0.99 4.77 -1.26 -4.60 117.00 117.96 3kvh n LEU 84 Ca -0.02 -0.85 -0.12 0.00 -0.03 0.00 0.00 56.01 55.00 3kvh n LEU 84 Cb 0.17 -0.10 -0.05 0.00 -2.33 0.00 0.00 43.42 41.11 3kvh n LEU 84 CO 0.02 0.42 -0.11 0.61 -1.33 0.00 0.00 177.39 177.00 3kvh n GLY 85 N 1.24 1.28 0.00 -0.72 0.00 -1.26 -2.91 105.19 102.82 3kvh n GLY 85 Ca 0.17 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3kvh n GLY 85 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kvh n LEU 86 N -1.35 0.00 -3.55 0.99 4.77 -1.26 -4.95 117.00 111.65 3kvh n LEU 86 Ca -0.12 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.57 3kvh n LEU 86 Cb 0.42 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.38 3kvh n LEU 86 CO 0.18 0.00 -0.32 -0.13 -1.33 0.00 0.00 177.39 175.79 3kvh s ARG 90 N 0.44 0.53 0.40 3.23 0.52 -1.26 -5.14 118.95 117.68 3kvh s ARG 90 Ca 0.00 -1.11 -0.24 0.00 -0.52 0.00 0.00 55.73 53.86 3kvh s ARG 90 Cb 0.00 -1.45 -0.09 0.00 0.52 0.00 0.00 34.95 33.93 3kvh s ARG 90 CO 0.00 -1.11 1.08 -0.51 0.02 0.00 0.00 175.30 174.77 3kvh s LEU 91 N 1.40 4.14 0.00 2.53 1.43 -1.26 -5.05 118.68 121.87 3kvh s LEU 91 Ca 0.14 2.11 0.04 0.00 -1.03 0.00 0.00 54.13 55.39 3kvh s LEU 91 Cb -0.20 -4.16 -0.02 0.00 0.03 0.00 0.00 46.19 41.84 3kvh s LEU 91 CO -0.15 -0.56 0.16 0.35 0.23 0.00 0.00 176.35 176.38 3kvh n THR 92 N -0.08 0.00 0.24 5.49 -2.24 -1.26 -4.86 114.28 111.57 3kvh n THR 92 Ca 0.05 -1.61 0.17 0.00 -2.27 0.00 0.00 64.05 60.39 3kvh n THR 92 Cb 0.49 0.73 0.86 0.00 -2.10 0.00 0.00 70.33 70.30 3kvh n THR 92 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3kvh h GLU 93 N 0.00 0.00 0.00 -0.78 3.07 -1.98 -0.94 114.58 113.95 3kvh h GLU 93 Ca -0.17 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.66 3kvh h GLU 93 Cb 0.80 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.71 3kvh h GLU 93 CO 0.26 0.00 -0.12 0.00 -1.40 0.00 0.00 179.01 177.75 3kvh h ALA 94 N 1.83 1.35 -0.01 3.43 0.00 -1.99 -2.29 119.26 121.59 3kvh h ALA 94 Ca 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3kvh h ALA 94 Cb 0.34 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3kvh h ALA 94 CO -0.00 0.15 -0.32 -0.25 0.00 0.00 0.00 179.25 178.84 3kvh n ASP 95 N -3.74 1.13 -4.75 0.00 8.00 -0.36 -4.96 116.55 111.87 3kvh n ASP 95 Ca -0.02 -0.94 -0.41 0.00 0.71 0.00 0.00 54.79 54.13 3kvh n ASP 95 Cb 0.23 0.21 -0.02 0.00 -0.02 0.00 0.00 41.12 41.51 3kvh n ASP 95 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3kvh s TYR 96 N -2.54 3.06 -0.05 1.24 5.04 -0.86 -0.63 117.35 122.61 3kvh s TYR 96 Ca 0.22 1.21 -0.10 0.00 -2.44 0.00 0.00 57.07 55.96 3kvh s TYR 96 Cb 0.19 -3.73 -0.03 0.00 0.35 0.00 0.00 41.96 38.73 3kvh s TYR 96 CO 0.55 -2.23 -0.19 1.28 -1.34 0.00 0.00 175.55 173.61 3kvh n LEU 97 N 1.77 1.55 -3.73 6.97 4.77 0.55 -4.88 117.00 124.00 3kvh n LEU 97 Ca 0.04 0.24 -0.08 0.00 -0.03 0.00 0.00 56.01 56.18 3kvh n LEU 97 Cb 0.41 -0.56 -0.02 0.00 -2.33 0.00 0.00 43.42 40.93 3kvh n LEU 97 CO 0.60 -0.49 0.47 -0.94 -1.33 0.00 0.00 177.39 175.70 3kvh s SER 98 N -5.93 -0.34 -0.02 -1.43 1.04 -1.14 -5.03 113.70 100.86 3kvh s SER 98 Ca -0.16 -0.42 0.04 0.00 0.48 0.00 0.00 55.95 55.89 3kvh s SER 98 Cb 0.02 0.67 -0.01 0.00 0.10 0.00 0.00 66.02 66.81 3kvh s SER 98 CO 0.23 -1.20 -0.12 -0.44 0.98 0.00 0.00 173.24 172.69 3kvh s SER 99 N -2.87 1.52 -0.02 7.02 0.01 -1.25 -0.60 113.70 117.51 3kvh s SER 99 Ca 0.08 -0.24 0.04 0.00 1.31 0.00 0.00 55.95 57.14 3kvh s SER 99 Cb -0.04 -0.28 -0.01 0.00 0.21 0.00 0.00 66.02 65.90 3kvh s SER 99 CO 0.01 0.13 -0.13 -1.00 0.41 0.00 0.00 173.24 172.66 3kvh s HIS 100 N -0.10 1.18 0.01 2.43 3.76 -0.29 -1.50 115.29 120.78 3kvh s HIS 100 Ca 0.01 -0.26 -0.30 0.00 -0.15 0.00 0.00 55.06 54.36 3kvh s HIS 100 Cb -0.07 -0.78 -0.05 0.00 1.11 0.00 0.00 32.58 32.79 3kvh s HIS 100 CO 0.00 -0.06 1.18 -0.51 -0.85 0.00 0.00 174.74 174.50 3kvh s LEU 101 N -0.15 4.34 0.00 0.89 1.43 -0.25 -0.42 118.68 124.53 3kvh s LEU 101 Ca 0.02 1.91 0.00 0.00 -1.03 0.00 0.00 54.13 55.03 3kvh s LEU 101 Cb -0.07 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.58 3kvh s LEU 101 CO 0.00 -0.49 0.13 0.35 0.23 0.00 0.00 176.35 176.57 3kvh n THR 102 N 4.16 0.00 -1.03 5.49 -2.24 -1.26 -4.19 114.28 115.21 3kvh n THR 102 Ca 0.09 0.54 -0.31 0.00 -2.27 0.00 0.00 64.05 62.10 3kvh n THR 102 Cb 0.47 -1.36 -0.02 0.00 -2.10 0.00 0.00 70.33 67.31 3kvh n THR 102 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3kvh n ARG 107 N -1.69 2.65 -4.41 -0.78 0.63 -1.26 -4.99 116.66 106.81 3kvh n ARG 107 Ca 0.00 -1.81 -0.20 0.00 -0.92 0.00 0.00 57.85 54.92 3kvh n ARG 107 Cb 0.00 -2.66 -0.15 0.00 0.45 0.00 0.00 32.46 30.10 3kvh n ARG 107 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3kvh s VAL 108 N 3.09 0.79 -0.22 5.15 1.01 -1.26 -2.02 120.40 126.95 3kvh s VAL 108 Ca 0.52 -0.39 -0.08 0.00 0.00 0.00 0.00 61.98 62.02 3kvh s VAL 108 Cb 0.13 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 3kvh s VAL 108 CO -0.03 0.24 0.10 -0.69 0.00 0.00 0.00 175.10 174.71 3kvh s VAL 109 N 0.04 4.85 -0.33 2.92 1.01 -0.38 -4.48 120.40 124.03 3kvh s VAL 109 Ca -0.01 -0.00 -0.10 0.00 0.00 0.00 0.00 61.98 61.88 3kvh s VAL 109 Cb -0.07 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 33.08 3kvh s VAL 109 CO 0.00 0.38 0.16 0.00 0.00 0.00 0.00 175.10 175.65 3kvh s ALA 110 N 0.97 3.26 -0.19 5.51 0.00 0.44 -1.27 121.76 130.48 3kvh s ALA 110 Ca 0.05 -1.48 -0.12 0.00 0.00 0.00 0.00 51.96 50.42 3kvh s ALA 110 Cb -0.14 -2.42 -0.05 0.00 0.00 0.00 0.00 23.12 20.51 3kvh s ALA 110 CO 0.03 -1.03 0.20 -1.01 0.00 0.00 0.00 175.76 173.95 3kvh s HIS 111 N 1.59 3.41 -0.14 0.00 3.76 0.60 -1.14 115.29 123.38 3kvh s HIS 111 Ca 0.04 0.42 -0.01 0.00 -0.15 0.00 0.00 55.06 55.36 3kvh s HIS 111 Cb -0.18 -2.25 -0.02 0.00 1.11 0.00 0.00 32.58 31.25 3kvh s HIS 111 CO 0.06 0.23 -0.11 -1.17 -0.85 0.00 0.00 174.74 172.90 3kvh s LEU 112 N 0.52 2.80 0.18 0.89 2.96 0.23 -1.23 118.68 125.03 3kvh s LEU 112 Ca 0.11 -0.31 0.11 0.00 -0.22 0.00 0.00 54.13 53.83 3kvh s LEU 112 Cb -0.12 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 3kvh s LEU 112 CO 0.01 0.15 -0.24 -0.31 -1.32 0.00 0.00 176.35 174.64 3kvh s TYR 113 N 0.44 2.25 -0.03 5.38 2.02 -0.19 -0.33 117.35 126.89 3kvh s TYR 113 Ca -0.09 -0.37 -0.08 0.00 -0.37 0.00 0.00 57.07 56.16 3kvh s TYR 113 Cb -0.16 -1.13 0.01 0.00 -0.40 0.00 0.00 41.96 40.29 3kvh s TYR 113 CO 0.04 0.46 0.18 0.00 -1.57 0.00 0.00 175.55 174.66 3kvh s ALA 114 N -1.60 -0.45 -0.10 3.71 0.00 0.20 -0.30 121.76 123.21 3kvh s ALA 114 Ca 0.19 0.21 -0.05 0.00 0.00 0.00 0.00 51.96 52.31 3kvh s ALA 114 Cb -0.08 -0.08 0.05 0.00 0.00 0.00 0.00 23.12 23.01 3kvh s ALA 114 CO 0.09 -0.17 0.23 0.50 0.00 0.00 0.00 175.76 176.41 3kvh s ARG 115 N -0.76 0.16 -0.08 0.00 6.06 -0.65 -4.63 118.95 119.05 3kvh s ARG 115 Ca -0.08 0.57 -0.26 0.00 -2.50 0.00 0.00 55.73 53.45 3kvh s ARG 115 Cb -0.05 -0.12 -0.03 0.00 0.06 0.00 0.00 34.95 34.81 3kvh s ARG 115 CO 0.01 -0.21 0.83 -1.14 -2.50 0.00 0.00 175.30 172.29 3kvh s GLN 116 N 1.62 4.43 0.39 5.12 0.74 -1.26 -2.25 119.66 128.46 3kvh s GLN 116 Ca -0.06 1.09 0.08 0.00 0.05 0.00 0.00 55.36 56.52 3kvh s GLN 116 Cb -0.11 -3.49 -0.06 0.00 1.10 0.00 0.00 33.01 30.44 3kvh s GLN 116 CO -0.08 -0.10 0.08 -0.51 -0.55 0.00 0.00 175.29 174.13 3kvh s LEU 117 N 1.32 3.01 0.71 3.68 1.43 0.65 -4.96 118.68 124.52 3kvh s LEU 117 Ca 0.42 -1.14 -0.11 0.00 -1.03 0.00 0.00 54.13 52.26 3kvh s LEU 117 Cb -0.18 -1.25 0.02 0.00 0.03 0.00 0.00 46.19 44.81 3kvh s LEU 117 CO 0.19 -0.43 1.08 0.42 0.23 0.00 0.00 176.35 177.83 3kvh s THR 118 N -2.61 3.67 0.41 5.49 -4.23 -1.26 -4.20 115.64 112.91 3kvh s THR 118 Ca 0.38 0.58 0.08 0.00 -1.18 0.00 0.00 61.69 61.55 3kvh s THR 118 Cb 0.05 -3.19 0.23 0.00 1.34 0.00 0.00 72.50 70.93 3kvh s THR 118 CO 0.20 -0.67 2.01 0.25 -0.54 0.00 0.00 174.62 175.87 3kvh h LEU 119 N -0.71 0.37 -0.53 4.79 5.85 -1.92 0.05 115.31 123.22 3kvh h LEU 119 Ca -0.44 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.20 3kvh h LEU 119 Cb 1.22 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 3kvh h LEU 119 CO 0.54 0.35 0.15 -0.33 -0.34 0.00 0.00 178.44 178.82 3kvh h GLU 120 N 0.42 0.83 -0.47 1.25 3.07 -1.94 -0.46 114.58 117.28 3kvh h GLU 120 Ca 0.11 -0.19 -0.10 0.00 -0.50 0.00 0.00 59.36 58.68 3kvh h GLU 120 Cb 0.09 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 27.87 3kvh h GLU 120 CO -0.01 0.78 -0.12 1.96 -1.40 0.00 0.00 179.01 180.22 3kvh h GLN 121 N 0.74 0.87 -0.61 2.33 4.20 -1.73 -1.47 115.11 119.45 3kvh h GLN 121 Ca 0.17 -0.31 -0.02 0.00 0.06 0.00 0.00 58.65 58.55 3kvh h GLN 121 Cb 0.30 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.99 3kvh h GLN 121 CO -0.00 0.94 0.29 1.25 -0.67 0.00 0.00 178.83 180.64 3kvh h LEU 122 N 0.78 0.81 -0.75 1.46 5.85 -0.67 -1.64 115.31 121.15 3kvh h LEU 122 Ca 0.13 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 3kvh h LEU 122 Cb 0.63 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 3kvh h LEU 122 CO 0.04 0.72 0.33 -0.74 -0.34 0.00 0.00 178.44 178.45 3kvh h HIS 123 N 0.84 1.10 -0.76 1.25 2.76 -0.97 -2.48 115.15 116.89 3kvh h HIS 123 Ca 0.21 -0.07 0.08 0.00 -2.20 0.00 0.00 60.37 58.39 3kvh h HIS 123 Cb 0.13 -0.34 -0.05 0.00 1.55 0.00 0.00 27.41 28.70 3kvh h HIS 123 CO 0.00 0.82 0.50 0.00 -1.30 0.00 0.00 177.93 177.96 3kvh h ALA 124 N 1.17 1.73 -0.47 5.26 0.00 -0.81 -1.23 119.26 124.91 3kvh h ALA 124 Ca 0.25 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 3kvh h ALA 124 Cb 0.16 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3kvh h ALA 124 CO -0.03 0.13 -0.03 0.28 0.00 0.00 0.00 179.25 179.60 3kvh h VAL 125 N 0.75 1.27 -0.94 0.00 2.07 -0.88 -0.71 116.25 117.80 3kvh h VAL 125 Ca 0.34 -1.10 0.02 0.00 0.82 0.00 0.00 66.70 66.78 3kvh h VAL 125 Cb 0.36 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 3kvh h VAL 125 CO -0.12 0.38 0.62 -0.33 0.02 0.00 0.00 177.57 178.14 3kvh h GLU 126 N 0.69 1.21 0.01 1.57 5.08 -0.98 0.74 114.58 122.90 3kvh h GLU 126 Ca 0.13 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3kvh h GLU 126 Cb 0.54 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3kvh h GLU 126 CO 0.03 0.80 -0.01 0.82 -1.00 0.00 0.00 179.01 179.65 3kvh h ILE 127 N 1.25 1.22 -0.97 3.13 2.04 -1.08 -2.86 117.51 120.25 3kvh h ILE 127 Ca 0.36 -0.71 0.11 0.00 1.00 0.00 0.00 64.86 65.61 3kvh h ILE 127 Cb -0.10 1.70 -0.08 0.00 -0.74 0.00 0.00 36.82 37.61 3kvh h ILE 127 CO -0.09 0.18 0.62 -1.28 0.00 0.00 0.00 178.15 177.58 3kvh h SER 128 N -0.33 0.88 -0.57 1.72 0.87 -0.88 -2.80 113.55 112.45 3kvh h SER 128 Ca -0.00 0.04 -0.04 0.00 -1.23 0.00 0.00 61.79 60.55 3kvh h SER 128 Cb 0.32 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.11 3kvh h SER 128 CO 0.00 0.49 0.20 0.00 -0.53 0.00 0.00 176.83 176.99 3kvh h ALA 129 N 1.54 0.75 0.00 6.23 0.00 -0.72 -2.44 119.26 124.62 3kvh h ALA 129 Ca 0.47 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 3kvh h ALA 129 Cb 0.46 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3kvh h ALA 129 CO -0.23 0.39 -0.17 0.28 0.00 0.00 0.00 179.25 179.53 3kvh h VAL 130 N 0.80 0.96 -0.22 0.00 2.07 -1.27 -1.94 116.25 116.64 3kvh h VAL 130 Ca 0.19 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 67.11 3kvh h VAL 130 Cb 0.26 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 3kvh h VAL 130 CO -0.01 0.16 0.00 1.41 0.02 0.00 0.00 177.57 179.15 3kvh n HIS 131 N -4.10 0.28 -1.70 1.57 8.25 -0.99 -4.89 115.22 113.62 3kvh n HIS 131 Ca -0.02 -0.14 -0.31 0.00 -0.26 0.00 0.00 57.72 56.99 3kvh n HIS 131 Cb 0.24 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.39 3kvh n HIS 131 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3kvh s SER 132 N -1.59 5.58 0.43 0.41 1.04 -0.73 -4.96 113.70 113.89 3kvh s SER 132 Ca 0.34 1.62 0.21 0.00 0.48 0.00 0.00 55.95 58.60 3kvh s SER 132 Cb 0.19 -2.50 0.96 0.00 0.10 0.00 0.00 66.02 64.78 3kvh s SER 132 CO 0.28 -1.30 1.87 0.03 0.98 0.00 0.00 173.24 175.10 3kvh h ARG 133 N -0.44 0.00 0.00 4.02 3.08 -1.88 -2.71 114.38 116.44 3kvh h ARG 133 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.61 3kvh h ARG 133 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.26 3kvh h ARG 133 CO 0.58 0.27 -0.29 -0.25 -1.07 0.00 0.00 179.97 179.21 3kvh n ASP 134 N -3.67 0.31 -4.69 7.04 8.00 -1.26 -4.82 116.55 117.45 3kvh n ASP 134 Ca -0.01 0.09 -0.42 0.00 0.71 0.00 0.00 54.79 55.16 3kvh n ASP 134 Cb 0.39 -0.09 -0.03 0.00 -0.02 0.00 0.00 41.12 41.38 3kvh n ASP 134 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3kvh s HIS 135 N -3.01 2.59 0.00 1.24 2.46 -1.02 -1.46 115.29 116.08 3kvh s HIS 135 Ca 0.12 0.45 0.00 0.00 0.47 0.00 0.00 55.06 56.10 3kvh s HIS 135 Cb 0.18 -3.91 0.00 0.00 -0.13 0.00 0.00 32.58 28.72 3kvh s HIS 135 CO 0.63 -3.57 0.00 0.41 -2.47 0.00 0.00 174.74 169.74 3kvh n GLY 136 N 3.90 0.58 0.00 1.59 0.00 0.69 -4.93 105.19 107.02 3kvh n GLY 136 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3kvh n GLY 136 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kvh n LEU 137 N 0.00 0.00 0.24 0.99 4.77 -0.54 -4.92 117.00 117.55 3kvh n LEU 137 Ca 0.00 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.12 3kvh n LEU 137 Cb 0.00 0.00 0.41 0.00 -2.33 0.00 0.00 43.42 41.50 3kvh n LEU 137 CO 0.00 0.00 0.88 -0.33 -1.33 0.00 0.00 177.39 176.61 3kvh h GLU 138 N 0.00 0.00 -5.13 3.23 5.08 -1.90 -3.41 114.58 112.45 3kvh h GLU 138 Ca 0.00 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.71 3kvh h GLU 138 Cb 0.00 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 28.91 3kvh h GLU 138 CO 0.00 0.03 -0.86 0.08 -1.00 0.00 0.00 179.01 177.25 3kvh s VAL 139 N -3.43 1.91 -1.79 3.13 1.01 -1.14 -1.40 120.40 118.70 3kvh s VAL 139 Ca 0.04 -0.91 0.18 0.00 0.00 0.00 0.00 61.98 61.29 3kvh s VAL 139 Cb 0.07 -1.69 0.04 0.00 0.00 0.00 0.00 36.38 34.80 3kvh s VAL 139 CO 0.61 0.52 0.95 0.18 0.00 0.00 0.00 175.10 177.37 3kvh n LEU 140 N 3.92 1.95 0.00 3.92 4.77 0.52 -0.22 117.00 131.86 3kvh n LEU 140 Ca -0.20 -0.83 0.00 0.00 -0.03 0.00 0.00 56.01 54.95 3kvh n LEU 140 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3kvh n LEU 140 CO 0.27 0.36 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 3kvh n GLY 141 N 1.15 4.44 3.84 -0.72 0.00 -1.23 -4.85 105.19 107.83 3kvh n GLY 141 Ca 0.08 -0.70 -0.32 0.00 0.00 0.00 0.00 46.02 45.07 3kvh n GLY 141 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kvh s LEU 142 N 0.00 3.89 0.04 0.99 1.43 -1.26 -0.52 118.68 123.25 3kvh s LEU 142 Ca 0.00 1.47 0.03 0.00 -1.03 0.00 0.00 54.13 54.60 3kvh s LEU 142 Cb 0.00 -4.33 -0.02 0.00 0.03 0.00 0.00 46.19 41.87 3kvh s LEU 142 CO 0.00 -0.37 -0.10 0.68 0.23 0.00 0.00 176.35 176.79 3kvh s VAL 143 N -2.25 0.72 0.03 -1.59 -7.23 -0.08 -4.90 120.40 105.11 3kvh s VAL 143 Ca 0.58 -1.02 -0.20 0.00 -1.81 0.00 0.00 61.98 59.53 3kvh s VAL 143 Cb -0.10 -0.73 -0.06 0.00 0.56 0.00 0.00 36.38 36.06 3kvh s VAL 143 CO 0.21 -0.24 0.57 -0.13 -0.31 0.00 0.00 175.10 175.20 3kvh s ARG 144 N -1.39 4.24 -0.07 4.82 0.52 -1.26 -1.11 118.95 124.70 3kvh s ARG 144 Ca -0.05 0.72 -0.30 0.00 -0.52 0.00 0.00 55.73 55.58 3kvh s ARG 144 Cb -0.09 -3.29 -0.02 0.00 0.52 0.00 0.00 34.95 32.08 3kvh s ARG 144 CO 0.01 0.52 1.06 0.08 0.02 0.00 0.00 175.30 176.98 3kvh s VAL 145 N -0.68 4.64 -0.24 3.52 1.01 0.03 -4.95 120.40 123.73 3kvh s VAL 145 Ca 0.30 1.91 -0.28 0.00 0.00 0.00 0.00 61.98 63.91 3kvh s VAL 145 Cb -0.19 -4.23 0.01 0.00 0.00 0.00 0.00 36.38 31.97 3kvh s VAL 145 CO 0.18 0.03 0.99 -2.16 0.00 0.00 0.00 175.10 174.14 3kvh s PRO 146 N 1.90 4.23 0.01 2.72 0.04 -1.26 -4.20 135.00 138.44 3kvh s PRO 146 Ca 0.51 1.25 0.23 0.00 0.04 0.00 0.00 61.00 63.03 3kvh s PRO 146 Cb -0.21 -3.65 0.06 0.00 0.04 0.00 0.00 34.50 30.75 3kvh s PRO 146 CO 0.21 -0.62 1.08 1.28 0.04 0.00 0.00 177.00 178.98 3kvh n LEU 147 N 6.27 0.72 -4.86 -3.56 4.77 -1.26 -2.98 117.00 116.11 3kvh n LEU 147 Ca 0.11 -0.22 -0.31 0.00 -0.03 0.00 0.00 56.01 55.56 3kvh n LEU 147 Cb 0.46 -0.10 0.03 0.00 -2.33 0.00 0.00 43.42 41.48 3kvh n LEU 147 CO 0.51 0.16 0.73 -0.72 -1.33 0.00 0.00 177.39 176.74 3kvh s TYR 148 N -3.06 3.43 -0.08 -1.77 -0.85 -1.26 -4.70 117.35 109.05 3kvh s TYR 148 Ca 0.07 1.24 0.03 0.00 -0.52 0.00 0.00 57.07 57.89 3kvh s TYR 148 Cb 0.16 -2.86 0.01 0.00 0.38 0.00 0.00 41.96 39.65 3kvh s TYR 148 CO 0.80 -0.96 -0.18 0.99 -1.52 0.00 0.00 175.55 174.69 3kvh s THR 149 N -3.21 1.59 1.06 -3.49 2.01 -1.26 -0.72 115.64 111.63 3kvh s THR 149 Ca 0.57 -0.75 -0.16 0.00 0.31 0.00 0.00 61.69 61.66 3kvh s THR 149 Cb -0.12 -1.41 0.22 0.00 0.01 0.00 0.00 72.50 71.21 3kvh s THR 149 CO 0.54 0.46 1.14 -1.10 -0.69 0.00 0.00 174.62 174.96 3kvh s GLN 150 N 0.50 -0.10 0.50 4.92 -0.21 0.56 -4.90 119.66 120.93 3kvh s GLN 150 Ca -0.17 0.11 0.21 0.00 0.02 0.00 0.00 55.36 55.53 3kvh s GLN 150 Cb -0.17 -1.71 1.29 0.00 1.00 0.00 0.00 33.01 33.42 3kvh s GLN 150 CO 0.06 -3.00 2.06 0.87 -2.12 0.00 0.00 175.29 173.16 3kvh h LYS 151 N -2.07 0.00 0.00 2.91 6.56 -2.01 -1.44 116.57 120.52 3kvh h LYS 151 Ca -0.49 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.10 3kvh h LYS 151 Cb 1.31 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.97 3kvh h LYS 151 CO 0.47 0.13 0.00 -0.40 -2.06 0.00 0.00 179.45 177.59 3kvh n ASP 152 N -4.01 0.00 0.00 0.86 5.68 -1.26 -4.88 116.55 112.94 3kvh n ASP 152 Ca -0.02 -0.64 0.00 0.00 -0.50 0.00 0.00 54.79 53.63 3kvh n ASP 152 Cb 0.22 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.17 3kvh n ASP 152 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3kvh n ARG 153 N -1.03 -0.80 0.00 0.11 1.74 -0.54 -4.74 116.66 111.40 3kvh n ARG 153 Ca 0.16 0.20 0.00 0.00 -0.77 0.00 0.00 57.85 57.44 3kvh n ARG 153 Cb 0.09 -3.85 0.00 0.00 -1.02 0.00 0.00 32.46 27.68 3kvh n ARG 153 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 3kvh n VAL 154 N -2.49 0.00 -1.71 1.55 0.24 -1.26 -4.89 118.33 109.77 3kvh n VAL 154 Ca 0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.87 3kvh n VAL 154 Cb 0.20 -0.34 -0.03 0.00 -1.47 0.00 0.00 33.84 32.20 3kvh n VAL 154 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kvh n GLY 155 N 2.13 1.39 0.00 7.63 0.00 -1.26 -1.24 105.19 113.83 3kvh n GLY 155 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.61 3kvh n GLY 155 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kvh n GLY 156 N 3.43 0.82 0.17 -0.02 0.00 -1.26 -0.32 105.19 108.00 3kvh n GLY 156 Ca 0.14 -1.25 -0.09 0.00 0.00 0.00 0.00 46.02 44.83 3kvh n GLY 156 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3kvh h PHE 157 N 0.00 0.49 -0.15 1.61 3.57 -0.82 -0.69 116.94 120.95 3kvh h PHE 157 Ca 0.00 -0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.49 3kvh h PHE 157 Cb 0.00 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 3kvh h PHE 157 CO 0.00 0.44 0.04 -1.35 -2.23 0.00 0.00 178.31 175.21 3kvh h PRO 158 N 0.40 0.11 -0.60 6.41 0.11 -1.80 -0.32 132.00 136.31 3kvh h PRO 158 Ca 0.11 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 66.31 3kvh h PRO 158 Cb 0.14 -0.02 -0.07 0.00 0.11 0.00 0.00 31.00 31.15 3kvh h PRO 158 CO -0.01 0.07 0.22 -0.91 -0.21 0.00 0.00 178.00 177.16 3kvh h ASN 159 N 0.11 0.21 -0.56 -2.05 2.35 -1.00 -2.21 115.58 112.43 3kvh h ASN 159 Ca 0.07 0.08 0.06 0.00 -0.55 0.00 0.00 56.30 55.95 3kvh h ASN 159 Cb 0.05 0.06 -0.05 0.00 0.05 0.00 0.00 38.32 38.43 3kvh h ASN 159 CO -0.08 0.13 0.27 0.15 -1.65 0.00 0.00 177.43 176.25 3kvh h PHE 160 N 0.39 0.50 0.00 1.19 3.57 -0.58 -0.89 116.94 121.12 3kvh h PHE 160 Ca 0.30 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.82 3kvh h PHE 160 Cb 0.37 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.97 3kvh h PHE 160 CO -0.17 0.23 0.00 1.28 -2.23 0.00 0.00 178.31 177.42 3kvh n LEU 161 N -4.88 0.50 -0.13 0.59 4.77 -0.18 -1.97 117.00 115.71 3kvh n LEU 161 Ca 0.06 0.63 0.14 0.00 -0.03 0.00 0.00 56.01 56.81 3kvh n LEU 161 Cb 0.16 -0.57 0.65 0.00 -2.33 0.00 0.00 43.42 41.34 3kvh n LEU 161 CO 0.28 -0.50 0.91 -1.54 -1.33 0.00 0.00 177.39 175.20 3kvh n SER 162 N -2.06 0.48 -3.60 -1.43 3.41 -0.34 -4.86 113.62 105.22 3kvh n SER 162 Ca 0.02 -0.70 -0.30 0.00 -0.26 0.00 0.00 58.87 57.63 3kvh n SER 162 Cb 0.21 -0.07 0.26 0.00 -0.26 0.00 0.00 64.21 64.35 3kvh n SER 162 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3kvh s ASN 163 N -2.37 0.40 -0.21 4.04 0.01 -0.83 -4.98 114.94 111.00 3kvh s ASN 163 Ca 0.32 0.54 -0.09 0.00 -0.71 0.00 0.00 52.86 52.92 3kvh s ASN 163 Cb 0.20 -0.70 -0.04 0.00 0.41 0.00 0.00 41.25 41.12 3kvh s ASN 163 CO 0.45 -4.43 0.10 0.00 -1.51 0.00 0.00 177.10 171.71 3kvh s ALA 164 N -2.95 3.48 0.11 0.60 0.00 -1.26 -5.06 121.76 116.68 3kvh s ALA 164 Ca 0.72 -0.83 0.10 0.00 0.00 0.00 0.00 51.96 51.95 3kvh s ALA 164 Cb -0.08 -2.09 -0.04 0.00 0.00 0.00 0.00 23.12 20.91 3kvh s ALA 164 CO 0.56 -0.01 -0.23 -0.06 0.00 0.00 0.00 175.76 176.02 3kvh s PHE 165 N 0.72 2.42 0.51 0.00 0.08 -1.26 -0.95 117.98 119.50 3kvh s PHE 165 Ca 0.05 -0.33 -0.21 0.00 0.12 0.00 0.00 56.93 56.57 3kvh s PHE 165 Cb -0.13 -1.32 -0.07 0.00 -0.57 0.00 0.00 43.02 40.93 3kvh s PHE 165 CO 0.02 0.32 1.13 0.54 -0.10 0.00 0.00 175.22 177.13 3kvh s VAL 166 N -1.05 3.20 0.01 -0.44 0.11 -0.08 -4.83 120.40 117.31 3kvh s VAL 166 Ca 0.15 0.80 -0.39 0.00 -2.93 0.00 0.00 61.98 59.61 3kvh s VAL 166 Cb -0.10 -3.35 -0.19 0.00 -1.53 0.00 0.00 36.38 31.21 3kvh s VAL 166 CO 0.07 -0.11 1.17 -1.54 -3.33 0.00 0.00 175.10 171.36 3kvh n SER 167 N -0.99 0.55 0.00 3.54 3.41 -1.26 -1.38 113.62 117.49 3kvh n SER 167 Ca 0.10 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.86 3kvh n SER 167 Cb 0.50 -1.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.45 3kvh n SER 167 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3kvh n THR 168 N 1.91 0.00 -0.29 6.66 -2.24 -1.26 -4.88 114.28 114.18 3kvh n THR 168 Ca 0.20 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.93 3kvh n THR 168 Cb 0.11 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 68.41 3kvh n THR 168 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kvh h ALA 169 N 0.00 1.00 -0.27 6.98 0.00 -1.58 0.12 119.26 125.51 3kvh h ALA 169 Ca 0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 3kvh h ALA 169 Cb 0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3kvh h ALA 169 CO 0.00 0.50 0.00 -0.22 0.00 0.00 0.00 179.25 179.54 3kvh h LYS 170 N 1.08 0.48 -0.65 0.00 3.64 -1.90 0.16 116.57 119.38 3kvh h LYS 170 Ca 0.28 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 3kvh h LYS 170 Cb 0.02 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 3kvh h LYS 170 CO -0.05 0.64 0.32 0.00 -2.27 0.00 0.00 179.45 178.09 3kvh h GLN 172 N 0.89 0.89 -0.01 0.00 4.20 -0.59 0.08 115.11 120.57 3kvh h GLN 172 Ca 0.22 -0.07 0.01 0.00 0.06 0.00 0.00 58.65 58.87 3kvh h GLN 172 Cb 0.11 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 3kvh h GLN 172 CO -0.03 0.62 -0.05 1.25 -0.67 0.00 0.00 178.83 179.95 3kvh h LEU 173 N 0.89 -0.15 -0.72 1.46 5.85 -0.65 0.28 115.31 122.27 3kvh h LEU 173 Ca 0.24 0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.88 3kvh h LEU 173 Cb -0.05 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 3kvh h LEU 173 CO -0.05 -0.08 -0.08 -0.07 -0.34 0.00 0.00 178.44 177.82 3kvh h LEU 174 N -0.09 0.89 -0.21 2.25 3.38 -1.22 -0.86 115.31 119.44 3kvh h LEU 174 Ca 0.02 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 3kvh h LEU 174 Cb 0.12 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3kvh h LEU 174 CO -0.06 0.99 0.11 0.15 0.09 0.00 0.00 178.44 179.72 3kvh h PHE 175 N 0.81 0.29 -0.42 1.13 3.57 -0.76 -2.63 116.94 118.93 3kvh h PHE 175 Ca 0.14 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 3kvh h PHE 175 Cb 0.60 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 3kvh h PHE 175 CO 0.04 0.27 0.14 0.00 -2.23 0.00 0.00 178.31 176.53 3kvh h ALA 176 N 0.99 0.55 -0.94 2.41 0.00 -0.67 -1.31 119.26 120.30 3kvh h ALA 176 Ca 0.07 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 54.90 3kvh h ALA 176 Cb 0.08 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.65 3kvh h ALA 176 CO -0.01 0.18 0.61 -0.07 0.00 0.00 0.00 179.25 179.96 3kvh h LEU 177 N 0.54 0.92 0.42 0.00 3.38 -1.13 -0.31 115.31 119.13 3kvh h LEU 177 Ca 0.14 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 3kvh h LEU 177 Cb 0.24 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3kvh h LEU 177 CO -0.01 0.58 -0.20 0.50 0.09 0.00 0.00 178.44 179.40 3kvh h LYS 178 N 1.04 -0.54 0.00 1.13 3.64 -1.21 -0.63 116.57 120.00 3kvh h LYS 178 Ca 0.42 0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.79 3kvh h LYS 178 Cb 0.26 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 3kvh h LYS 178 CO -0.17 -0.23 -0.18 -0.39 -2.27 0.00 0.00 179.45 176.21 3kvh h VAL 179 N -0.98 0.44 -0.16 2.00 -1.51 -0.99 -1.41 116.25 113.64 3kvh h VAL 179 Ca -0.06 -0.99 0.00 0.00 -1.23 0.00 0.00 66.70 64.42 3kvh h VAL 179 Cb 0.55 1.71 0.00 0.00 -2.13 0.00 0.00 31.29 31.42 3kvh h VAL 179 CO 0.09 0.17 0.00 0.18 -1.23 0.00 0.00 177.57 176.79 3kvh n LEU 180 N -3.34 1.44 -3.56 4.19 4.77 -0.15 -4.94 117.00 115.42 3kvh n LEU 180 Ca 0.00 -0.62 -0.26 0.00 -0.03 0.00 0.00 56.01 55.11 3kvh n LEU 180 Cb 0.40 -0.10 0.05 0.00 -2.33 0.00 0.00 43.42 41.44 3kvh n LEU 180 CO 0.32 0.31 0.13 0.59 -1.33 0.00 0.00 177.39 177.41 3kvh n ASN 181 N 0.19 -5.65 0.01 -1.43 3.02 -0.53 -4.90 115.26 105.96 3kvh n ASN 181 Ca 0.15 -0.55 -0.05 0.00 -0.03 0.00 0.00 54.58 54.10 3kvh n ASN 181 Cb 0.29 -4.50 -0.11 0.00 -0.61 0.00 0.00 39.78 34.85 3kvh n ASN 181 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 3kvh h MET 182 N -2.10 0.00 -3.25 3.52 2.86 -1.33 -3.47 114.93 111.16 3kvh h MET 182 Ca -0.55 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 56.90 3kvh h MET 182 Cb 1.36 0.00 -0.26 0.00 0.06 0.00 0.00 31.60 32.76 3kvh h MET 182 CO 0.60 0.42 -0.49 -1.64 1.06 0.00 0.00 176.91 176.85 3kvh s MET 183 N -2.74 0.22 0.49 1.72 -1.94 -1.08 -4.98 119.30 110.98 3kvh s MET 183 Ca -0.04 0.29 -0.24 0.00 -1.71 0.00 0.00 55.69 53.99 3kvh s MET 183 Cb 0.08 0.09 -0.07 0.00 2.01 0.00 0.00 34.83 36.94 3kvh s MET 183 CO 0.82 -0.04 1.37 -2.30 -0.01 0.00 0.00 175.02 174.86 3kvh n PRO 184 N 3.07 1.95 -0.29 2.03 -0.02 -1.26 -4.37 135.00 136.11 3kvh n PRO 184 Ca -0.14 0.70 0.03 0.00 -2.02 0.00 0.00 63.50 62.08 3kvh n PRO 184 Cb 0.58 -2.57 0.18 0.00 -0.02 0.00 0.00 33.50 31.67 3kvh n PRO 184 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3kvh h GLU 185 N 1.87 0.75 -0.98 -0.52 4.81 -1.95 -1.10 114.58 117.46 3kvh h GLU 185 Ca -0.50 -0.05 0.11 0.00 -0.13 0.00 0.00 59.36 58.80 3kvh h GLU 185 Cb 1.29 -0.17 -0.08 0.00 0.63 0.00 0.00 28.75 30.42 3kvh h GLU 185 CO 0.59 0.50 0.61 1.49 -0.73 0.00 0.00 179.01 181.47 3kvh h GLU 186 N 0.78 0.95 -0.04 1.92 4.81 -2.00 -0.49 114.58 120.51 3kvh h GLU 186 Ca 0.41 -0.06 -0.17 0.00 -0.13 0.00 0.00 59.36 59.41 3kvh h GLU 186 Cb 0.40 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 3kvh h GLU 186 CO -0.26 0.63 -0.73 0.87 -0.73 0.00 0.00 179.01 178.79 3kvh h LYS 187 N 0.98 0.25 -0.40 1.92 1.79 -1.58 -2.08 116.57 117.45 3kvh h LYS 187 Ca 0.48 -0.21 -0.08 0.00 -2.18 0.00 0.00 60.65 58.67 3kvh h LYS 187 Cb 0.46 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.14 3kvh h LYS 187 CO -0.26 0.87 -0.05 -0.07 -1.08 0.00 0.00 179.45 178.86 3kvh h LEU 188 N 0.17 0.73 -0.29 2.94 3.38 -0.77 -1.10 115.31 120.36 3kvh h LEU 188 Ca -0.02 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.61 3kvh h LEU 188 Cb 1.29 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 3kvh h LEU 188 CO 0.11 0.90 0.18 0.58 0.09 0.00 0.00 178.44 180.30 3kvh h VAL 189 N 0.56 1.10 -0.41 1.22 2.07 -1.09 -1.64 116.25 118.06 3kvh h VAL 189 Ca 0.11 -0.22 0.04 0.00 0.82 0.00 0.00 66.70 67.44 3kvh h VAL 189 Cb 0.55 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 3kvh h VAL 189 CO 0.03 0.10 0.19 -0.08 0.02 0.00 0.00 177.57 177.83 3kvh h GLU 190 N 0.38 0.38 -0.50 1.57 4.81 -1.31 -1.14 114.58 118.77 3kvh h GLU 190 Ca 0.11 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 3kvh h GLU 190 Cb 0.00 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 3kvh h GLU 190 CO -0.02 0.25 0.21 0.00 -0.73 0.00 0.00 179.01 178.71 3kvh h ALA 191 N 1.23 0.65 -0.56 2.92 0.00 -0.99 -0.57 119.26 121.95 3kvh h ALA 191 Ca 0.18 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3kvh h ALA 191 Cb 0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3kvh h ALA 191 CO -0.14 0.25 0.09 1.25 0.00 0.00 0.00 179.25 180.70 3kvh h LEU 192 N 0.67 0.88 -0.63 0.00 5.85 -1.19 -0.93 115.31 119.97 3kvh h LEU 192 Ca 0.17 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.63 3kvh h LEU 192 Cb 0.19 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 3kvh h LEU 192 CO -0.01 0.92 0.40 0.00 -0.34 0.00 0.00 178.44 179.41 3kvh h ALA 193 N 1.00 0.80 -0.48 1.25 0.00 -0.96 -0.95 119.26 119.93 3kvh h ALA 193 Ca 0.17 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3kvh h ALA 193 Cb 0.41 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3kvh h ALA 193 CO 0.01 0.25 0.24 0.00 0.00 0.00 0.00 179.25 179.75 3kvh h ALA 194 N 1.22 0.61 -0.37 0.00 0.00 -0.92 -0.94 119.26 118.86 3kvh h ALA 194 Ca 0.23 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.08 3kvh h ALA 194 Cb -0.07 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 3kvh h ALA 194 CO -0.05 0.16 0.11 0.00 0.00 0.00 0.00 179.25 179.47 3kvh h ALA 195 N 1.08 0.41 -0.30 0.00 0.00 -0.93 -1.01 119.26 118.52 3kvh h ALA 195 Ca 0.16 0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.98 3kvh h ALA 195 Cb 0.09 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3kvh h ALA 195 CO -0.02 -0.29 -0.39 1.15 0.00 0.00 0.00 179.25 179.69 3kvh h THR 196 N 0.25 1.29 -0.85 0.00 2.02 -0.99 -0.70 112.91 113.93 3kvh h THR 196 Ca 0.17 -1.58 0.01 0.00 0.77 0.00 0.00 66.41 65.78 3kvh h THR 196 Cb 0.17 1.60 -0.04 0.00 -1.74 0.00 0.00 68.15 68.13 3kvh h THR 196 CO -0.19 0.51 0.56 -0.08 0.37 0.00 0.00 175.52 176.69 3kvh h GLU 197 N 0.55 1.11 -0.25 6.66 4.81 -1.08 -0.97 114.58 125.41 3kvh h GLU 197 Ca 0.03 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3kvh h GLU 197 Cb 0.99 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 3kvh h GLU 197 CO 0.09 0.74 0.16 -0.22 -0.73 0.00 0.00 179.01 179.05 3kvh h LYS 198 N 1.15 0.34 -0.71 1.92 3.64 -0.77 -0.90 116.57 121.23 3kvh h LYS 198 Ca 0.31 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.70 3kvh h LYS 198 Cb -0.12 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.58 3kvh h LYS 198 CO -0.07 0.24 0.45 1.96 -2.27 0.00 0.00 179.45 179.75 3kvh h GLN 199 N 0.34 0.85 -0.10 1.90 4.20 -0.80 -1.38 115.11 120.12 3kvh h GLN 199 Ca 0.09 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 3kvh h GLN 199 Cb -0.02 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 27.56 3kvh h GLN 199 CO -0.02 0.56 0.06 -0.22 -0.67 0.00 0.00 178.83 178.54 3kvh h LYS 200 N 0.87 0.14 -0.83 1.46 3.64 -0.86 -1.40 116.57 119.58 3kvh h LYS 200 Ca 0.28 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.62 3kvh h LYS 200 Cb 0.01 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.76 3kvh h LYS 200 CO -0.11 0.14 0.41 0.87 -2.27 0.00 0.00 179.45 178.50 3kvh h LYS 201 N 0.09 1.18 -0.44 1.90 1.57 -0.97 -0.84 116.57 119.07 3kvh h LYS 201 Ca 0.04 -0.16 -0.09 0.00 -1.87 0.00 0.00 60.65 58.57 3kvh h LYS 201 Cb 0.04 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 3kvh h LYS 201 CO -0.01 0.90 -0.07 0.00 -0.57 0.00 0.00 179.45 179.70 3kvh h ALA 202 N 1.28 0.60 -0.20 3.86 0.00 -1.10 -2.58 119.26 121.13 3kvh h ALA 202 Ca 0.29 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 3kvh h ALA 202 Cb 0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3kvh h ALA 202 CO -0.04 0.46 -0.34 1.25 0.00 0.00 0.00 179.25 180.58 3kvh h LEU 203 N 0.66 0.42 -1.35 0.00 7.12 -1.03 -2.69 115.31 118.44 3kvh h LEU 203 Ca 0.12 -0.16 -0.06 0.00 0.13 0.00 0.00 57.88 57.90 3kvh h LEU 203 Cb 0.59 -0.12 -0.01 0.00 -0.53 0.00 0.00 40.66 40.60 3kvh h LEU 203 CO 0.04 0.74 -0.19 -0.33 -0.13 0.00 0.00 178.44 178.57 3kvh h GLU 204 N 0.35 0.20 -0.65 1.25 5.08 -0.95 0.43 114.58 120.28 3kvh h GLU 204 Ca 0.04 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 3kvh h GLU 204 Cb 0.77 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.97 3kvh h GLU 204 CO 0.06 0.39 0.11 0.87 -1.00 0.00 0.00 179.01 179.44 3kvh h LYS 205 N 0.19 1.08 0.00 2.33 1.57 -1.14 -3.15 116.57 117.45 3kvh h LYS 205 Ca 0.03 -0.28 -0.18 0.00 -1.87 0.00 0.00 60.65 58.36 3kvh h LYS 205 Cb 0.45 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 3kvh h LYS 205 CO 0.03 0.98 -0.84 -0.07 -0.57 0.00 0.00 179.45 178.99 3kvh h LEU 206 N 1.01 0.03 -0.27 2.94 3.38 -1.26 -3.52 115.31 117.62 3kvh h LEU 206 Ca 0.20 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3kvh h LEU 206 Cb 0.43 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3kvh h LEU 206 CO 0.01 0.85 0.00 0.18 0.09 0.00 0.00 178.44 179.57