#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kvv n ASP 5 N 0.00 0.13 -4.23 4.04 8.00 0.15 -4.85 116.55 119.80 3kvv n ASP 5 Ca 0.00 0.14 -0.16 0.00 0.71 0.00 0.00 54.79 55.48 3kvv n ASP 5 Cb 0.00 -0.30 -0.11 0.00 -0.02 0.00 0.00 41.12 40.70 3kvv n ASP 5 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3kvv s VAL 6 N -2.86 1.20 0.22 2.53 -7.23 -1.23 -5.05 120.40 107.97 3kvv s VAL 6 Ca 0.18 -1.78 -0.00 0.00 -1.81 0.00 0.00 61.98 58.57 3kvv s VAL 6 Cb 0.19 -1.55 -0.03 0.00 0.56 0.00 0.00 36.38 35.55 3kvv s VAL 6 CO 0.54 -0.53 1.56 0.15 -0.31 0.00 0.00 175.10 176.51 3kvv h PHE 7 N 3.36 0.59 0.00 2.82 3.57 -1.95 -3.38 116.94 121.94 3kvv h PHE 7 Ca -0.38 -0.19 -0.16 0.00 3.53 0.00 0.00 57.97 60.76 3kvv h PHE 7 Cb 1.19 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.79 3kvv h PHE 7 CO 0.65 0.88 -1.62 0.72 -2.23 0.00 0.00 178.31 176.71 3kvv n HIS 8 N -3.97 0.00 0.31 0.41 8.25 -1.26 -4.75 115.22 114.20 3kvv n HIS 8 Ca -0.02 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.57 3kvv n HIS 8 Cb 0.57 -0.42 0.35 0.00 1.12 0.00 0.00 29.99 31.60 3kvv n HIS 8 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3kvv h LEU 9 N 0.00 0.00 -1.35 2.41 3.38 -1.94 -3.44 115.31 114.36 3kvv h LEU 9 Ca -0.24 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.42 3kvv h LEU 9 Cb 1.42 0.00 0.13 0.00 0.09 0.00 0.00 40.66 42.31 3kvv h LEU 9 CO -0.02 0.00 -0.62 0.61 0.09 0.00 0.00 178.44 178.49 3kvv n GLY 10 N 0.80 -0.28 3.26 0.83 0.00 -1.26 -4.70 105.19 103.84 3kvv n GLY 10 Ca 0.03 0.06 -0.18 0.00 0.00 0.00 0.00 46.02 45.93 3kvv n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kvv s LEU 11 N -5.99 2.44 0.32 0.99 1.43 -1.26 -4.81 118.68 111.80 3kvv s LEU 11 Ca 0.21 -0.86 0.10 0.00 -1.03 0.00 0.00 54.13 52.55 3kvv s LEU 11 Cb -0.09 -0.55 -0.05 0.00 0.03 0.00 0.00 46.19 45.53 3kvv s LEU 11 CO 0.62 -0.17 -0.05 0.42 0.23 0.00 0.00 176.35 177.40 3kvv s THR 12 N -2.38 2.61 0.26 5.49 -4.23 -1.26 0.34 115.64 116.47 3kvv s THR 12 Ca 0.12 -2.10 -0.04 0.00 -1.18 0.00 0.00 61.69 58.49 3kvv s THR 12 Cb -0.04 -2.67 0.17 0.00 1.34 0.00 0.00 72.50 71.31 3kvv s THR 12 CO 0.03 -0.26 1.83 0.50 -0.54 0.00 0.00 174.62 176.18 3kvv h LYS 13 N 1.95 1.01 -0.08 3.99 3.64 -1.97 -2.09 116.57 123.03 3kvv h LYS 13 Ca -0.42 -0.17 -0.02 0.00 -1.27 0.00 0.00 60.65 58.76 3kvv h LYS 13 Cb 1.25 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 3kvv h LYS 13 CO 0.66 0.83 -0.05 -0.91 -2.27 0.00 0.00 179.45 177.70 3kvv h ASN 14 N 0.99 0.11 -0.93 4.20 2.35 -1.96 -1.93 115.58 118.41 3kvv h ASN 14 Ca 0.23 -0.01 0.13 0.00 -0.55 0.00 0.00 56.30 56.10 3kvv h ASN 14 Cb 0.19 -0.03 -0.07 0.00 0.05 0.00 0.00 38.32 38.46 3kvv h ASN 14 CO -0.02 0.18 0.60 0.44 -1.65 0.00 0.00 177.43 176.97 3kvv h ASP 15 N 0.12 0.78 1.39 5.81 3.32 -1.78 -1.75 116.42 124.32 3kvv h ASP 15 Ca 0.03 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3kvv h ASP 15 Cb 0.17 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.60 3kvv h ASP 15 CO 0.01 0.42 0.00 -0.07 -1.72 0.00 0.00 179.24 177.87 3kvv h LEU 16 N 0.84 0.00 2.15 1.55 3.38 -1.39 -3.47 115.31 118.36 3kvv h LEU 16 Ca 0.46 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 58.05 3kvv h LEU 16 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3kvv h LEU 16 CO -0.22 0.00 -0.52 0.00 0.09 0.00 0.00 178.44 177.79 3kvv n GLN 17 N -2.78 -2.86 -0.33 1.13 6.02 -0.66 -1.79 117.38 116.11 3kvv n GLN 17 Ca 0.03 0.87 0.00 0.00 -0.01 0.00 0.00 57.00 57.89 3kvv n GLN 17 Cb 0.39 -5.58 0.00 0.00 1.02 0.00 0.00 30.24 26.07 3kvv n GLN 17 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kvv n GLY 18 N -1.14 0.75 3.75 1.08 0.00 -1.26 -4.78 105.19 103.59 3kvv n GLY 18 Ca -0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 3kvv n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kvv s ALA 19 N -2.34 2.82 0.00 4.61 0.00 -0.74 -4.92 121.76 121.19 3kvv s ALA 19 Ca 0.00 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.27 3kvv s ALA 19 Cb 0.00 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.56 3kvv s ALA 19 CO 0.00 -1.34 0.15 0.25 0.00 0.00 0.00 175.76 174.83 3kvv n THR 20 N -1.01 0.00 -4.95 0.00 -2.24 -1.26 -4.32 114.28 100.49 3kvv n THR 20 Ca 0.10 -0.18 -0.28 0.00 -2.27 0.00 0.00 64.05 61.42 3kvv n THR 20 Cb 0.45 1.55 -0.16 0.00 -2.10 0.00 0.00 70.33 70.06 3kvv n THR 20 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3kvv s LEU 21 N -0.11 1.93 -0.01 3.22 0.20 -1.26 0.13 118.68 122.78 3kvv s LEU 21 Ca 0.00 -0.42 0.06 0.00 0.69 0.00 0.00 54.13 54.46 3kvv s LEU 21 Cb 0.00 -1.12 -0.02 0.00 -0.43 0.00 0.00 46.19 44.63 3kvv s LEU 21 CO 0.00 0.15 -0.20 0.00 -0.29 0.00 0.00 176.35 176.01 3kvv s ALA 22 N 0.18 1.67 -0.20 5.97 0.00 0.17 -1.14 121.76 128.41 3kvv s ALA 22 Ca -0.09 -0.87 -0.10 0.00 0.00 0.00 0.00 51.96 50.89 3kvv s ALA 22 Cb -0.14 -0.42 -0.05 0.00 0.00 0.00 0.00 23.12 22.50 3kvv s ALA 22 CO 0.04 0.41 0.15 0.42 0.00 0.00 0.00 175.76 176.78 3kvv s ILE 23 N -0.48 5.40 -0.45 0.00 1.01 0.14 -0.87 121.20 125.94 3kvv s ILE 23 Ca 0.08 0.23 0.03 0.00 0.00 0.00 0.00 60.65 60.99 3kvv s ILE 23 Cb -0.08 -3.49 0.13 0.00 0.01 0.00 0.00 42.46 39.03 3kvv s ILE 23 CO -0.01 0.43 0.23 0.68 0.00 0.00 0.00 174.94 176.27 3kvv s VAL 24 N 0.41 1.78 0.62 2.92 -7.23 0.73 -1.30 120.40 118.33 3kvv s VAL 24 Ca 0.09 -2.73 -0.12 0.00 -1.81 0.00 0.00 61.98 57.42 3kvv s VAL 24 Cb -0.11 -2.25 -0.04 0.00 0.56 0.00 0.00 36.38 34.54 3kvv s VAL 24 CO -0.01 -0.84 1.03 -2.16 -0.31 0.00 0.00 175.10 172.81 3kvv s PRO 25 N 0.24 3.53 0.09 4.82 0.04 -1.23 -3.31 135.00 139.17 3kvv s PRO 25 Ca 0.17 0.83 -0.13 0.00 0.04 0.00 0.00 61.00 61.90 3kvv s PRO 25 Cb -0.24 -2.07 -0.18 0.00 0.04 0.00 0.00 34.50 32.04 3kvv s PRO 25 CO -0.01 -0.63 1.27 0.78 0.04 0.00 0.00 177.00 178.45 3kvv h GLY 26 N -0.19 0.85 -5.50 0.56 0.00 -1.83 -1.08 103.07 95.87 3kvv h GLY 26 Ca -0.44 -1.30 -0.59 0.00 0.00 0.00 0.00 47.33 45.00 3kvv h GLY 26 CO 0.61 1.15 0.62 -0.35 0.00 0.00 0.00 176.54 178.57 3kvv s ASP 27 N -7.18 6.94 0.56 0.19 -1.08 -1.26 -1.56 116.67 113.29 3kvv s ASP 27 Ca -0.10 1.17 0.30 0.00 -0.52 0.00 0.00 52.55 53.40 3kvv s ASP 27 Cb 0.08 -2.48 1.69 0.00 -1.46 0.00 0.00 42.92 40.75 3kvv s ASP 27 CO 0.91 -0.60 2.17 -0.65 0.52 0.00 0.00 175.17 177.53 3kvv h PRO 28 N 7.61 0.00 0.00 4.34 0.11 -1.87 -1.09 132.00 141.11 3kvv h PRO 28 Ca -0.21 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.87 3kvv h PRO 28 Cb 1.08 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 3kvv h PRO 28 CO 0.92 0.06 -0.15 -0.44 -0.21 0.00 0.00 178.00 178.19 3kvv h ASP 29 N 0.00 0.00 0.67 -2.05 5.19 -1.95 -3.05 116.42 115.23 3kvv h ASP 29 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3kvv h ASP 29 Cb 0.18 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.69 3kvv h ASP 29 CO 0.01 0.15 -0.17 -1.14 -3.12 0.00 0.00 179.24 174.96 3kvv n ARG 30 N -3.32 0.19 0.45 3.56 0.63 -0.41 -4.29 116.66 113.48 3kvv n ARG 30 Ca 0.00 -0.06 -0.18 0.00 -0.92 0.00 0.00 57.85 56.69 3kvv n ARG 30 Cb 0.38 -1.50 -0.09 0.00 0.45 0.00 0.00 32.46 31.70 3kvv n ARG 30 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 3kvv h VAL 31 N 0.15 0.01 -0.74 5.15 2.07 -1.59 -1.88 116.25 119.42 3kvv h VAL 31 Ca 0.00 -0.14 0.09 0.00 0.82 0.00 0.00 66.70 67.47 3kvv h VAL 31 Cb 0.46 0.01 -0.07 0.00 -1.52 0.00 0.00 31.29 30.16 3kvv h VAL 31 CO 0.00 0.00 0.39 -0.08 0.02 0.00 0.00 177.57 177.90 3kvv h GLU 32 N -1.31 0.65 -0.50 1.57 4.81 -1.79 -0.80 114.58 117.21 3kvv h GLU 32 Ca -0.12 -0.04 0.10 0.00 -0.13 0.00 0.00 59.36 59.17 3kvv h GLU 32 Cb 0.90 -0.15 -0.09 0.00 0.63 0.00 0.00 28.75 30.04 3kvv h GLU 32 CO 0.20 0.43 -0.12 0.87 -0.73 0.00 0.00 179.01 179.66 3kvv h LYS 33 N 0.67 0.00 -0.18 1.92 1.57 -1.73 -0.56 116.57 118.26 3kvv h LYS 33 Ca 0.36 -0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 59.06 3kvv h LYS 33 Cb 0.34 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 3kvv h LYS 33 CO -0.25 0.00 -0.21 0.82 -0.57 0.00 0.00 179.45 179.25 3kvv h ILE 34 N 0.00 1.34 -0.31 1.86 2.04 -0.44 -3.07 117.51 118.93 3kvv h ILE 34 Ca 0.24 -1.39 0.02 0.00 1.00 0.00 0.00 64.86 64.74 3kvv h ILE 34 Cb 0.37 1.82 -0.02 0.00 -0.74 0.00 0.00 36.82 38.25 3kvv h ILE 34 CO -0.51 0.42 0.21 0.00 0.00 0.00 0.00 178.15 178.26 3kvv h ALA 35 N 0.62 1.88 0.00 1.87 0.00 -0.90 -1.51 119.26 121.22 3kvv h ALA 35 Ca 0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3kvv h ALA 35 Cb 0.76 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 3kvv h ALA 35 CO 0.05 0.09 -0.08 0.00 0.00 0.00 0.00 179.25 179.31 3kvv h ALA 36 N 1.82 1.46 0.00 0.00 0.00 -1.00 -1.61 119.26 119.93 3kvv h ALA 36 Ca 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3kvv h ALA 36 Cb 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3kvv h ALA 36 CO -0.03 0.11 0.00 1.28 0.00 0.00 0.00 179.25 180.61 3kvv n LEU 37 N -3.86 0.00 0.00 0.00 7.99 -0.57 -4.80 117.00 115.77 3kvv n LEU 37 Ca -0.02 0.50 -0.21 0.00 -0.01 0.00 0.00 56.01 56.27 3kvv n LEU 37 Cb 0.18 -0.50 -0.02 0.00 -0.11 0.00 0.00 43.42 42.97 3kvv n LEU 37 CO 0.30 -0.19 -0.04 0.23 -1.51 0.00 0.00 177.39 176.18 3kvv n MET 38 N -1.50 1.00 -2.67 3.23 2.81 -0.60 -5.14 117.12 114.25 3kvv n MET 38 Ca 0.04 -2.54 -0.29 0.00 -1.81 0.00 0.00 57.70 53.10 3kvv n MET 38 Cb 0.21 0.45 -0.02 0.00 -0.71 0.00 0.00 33.22 33.15 3kvv n MET 38 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3kvv s ASP 39 N -3.18 6.39 -1.63 7.83 1.01 -0.26 -4.51 116.67 122.32 3kvv s ASP 39 Ca 0.13 1.08 -0.14 0.00 0.71 0.00 0.00 52.55 54.33 3kvv s ASP 39 Cb -0.01 -2.31 0.12 0.00 1.01 0.00 0.00 42.92 41.73 3kvv s ASP 39 CO 0.08 -0.52 0.68 0.29 0.21 0.00 0.00 175.17 175.91 3kvv n LYS 40 N -1.83 -3.15 -2.26 8.23 5.02 -1.26 -0.02 118.16 122.90 3kvv n LYS 40 Ca 0.02 0.37 -0.42 0.00 -2.02 0.00 0.00 58.31 56.26 3kvv n LYS 40 Cb 0.54 -4.92 -0.03 0.00 -0.02 0.00 0.00 35.03 30.61 3kvv n LYS 40 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3kvv s PRO 41 N -6.86 4.37 -0.05 1.97 0.04 -1.26 -4.41 135.00 128.80 3kvv s PRO 41 Ca 0.54 1.97 -0.04 0.00 0.04 0.00 0.00 61.00 63.52 3kvv s PRO 41 Cb -0.30 -3.27 0.01 0.00 0.04 0.00 0.00 34.50 30.99 3kvv s PRO 41 CO 0.92 -0.35 0.12 0.54 0.04 0.00 0.00 177.00 178.27 3kvv s VAL 42 N 0.95 -0.00 0.01 -0.36 0.11 -0.23 -5.00 120.40 115.87 3kvv s VAL 42 Ca 0.62 0.02 -0.30 0.00 -2.93 0.00 0.00 61.98 59.38 3kvv s VAL 42 Cb -0.34 -0.18 -0.04 0.00 -1.53 0.00 0.00 36.38 34.28 3kvv s VAL 42 CO 0.31 0.01 1.17 -0.75 -3.33 0.00 0.00 175.10 172.50 3kvv s LYS 43 N 0.17 4.42 -0.20 1.54 2.20 -1.26 -1.05 119.74 125.55 3kvv s LYS 43 Ca -0.01 1.68 0.05 0.00 -0.36 0.00 0.00 55.97 57.33 3kvv s LYS 43 Cb -0.02 -3.44 -0.21 0.00 -1.51 0.00 0.00 37.83 32.65 3kvv s LYS 43 CO -0.00 -0.30 0.01 1.28 -0.36 0.00 0.00 175.35 175.98 3kvv n LEU 44 N 4.42 2.12 -3.62 5.43 4.77 0.93 -4.92 117.00 126.13 3kvv n LEU 44 Ca 0.09 -0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.04 3kvv n LEU 44 Cb 0.47 -0.56 -0.02 0.00 -2.33 0.00 0.00 43.42 40.98 3kvv n LEU 44 CO 0.55 0.79 1.09 0.00 -1.33 0.00 0.00 177.39 178.49 3kvv s ALA 45 N -2.53 -2.15 -0.27 -1.18 0.00 -1.06 -5.00 121.76 109.58 3kvv s ALA 45 Ca -0.25 1.66 -0.02 0.00 0.00 0.00 0.00 51.96 53.35 3kvv s ALA 45 Cb 0.08 -0.19 0.16 0.00 0.00 0.00 0.00 23.12 23.16 3kvv s ALA 45 CO 0.70 -0.61 0.48 0.45 0.00 0.00 0.00 175.76 176.78 3kvv s SER 46 N -2.18 -0.53 -0.02 0.00 0.15 -1.26 -1.05 113.70 108.82 3kvv s SER 46 Ca 0.11 0.58 -0.00 0.00 0.70 0.00 0.00 55.95 57.33 3kvv s SER 46 Cb -0.00 1.62 0.02 0.00 -1.71 0.00 0.00 66.02 65.94 3kvv s SER 46 CO -0.04 -0.28 0.03 -1.00 1.20 0.00 0.00 173.24 173.16 3kvv s HIS 47 N 2.69 -0.01 0.00 3.44 3.76 -0.37 -4.99 115.29 119.82 3kvv s HIS 47 Ca 0.15 0.11 0.00 0.00 -0.15 0.00 0.00 55.06 55.18 3kvv s HIS 47 Cb -0.15 -0.12 0.00 0.00 1.11 0.00 0.00 32.58 33.42 3kvv s HIS 47 CO -0.18 -0.06 0.00 0.54 -0.85 0.00 0.00 174.74 174.19 3kvv n ARG 48 N 3.68 0.00 -0.00 1.40 1.74 -1.26 -0.15 116.66 122.06 3kvv n ARG 48 Ca -0.21 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 56.91 3kvv n ARG 48 Cb 0.55 0.00 0.21 0.00 -1.02 0.00 0.00 32.46 32.20 3kvv n ARG 48 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 3kvv n GLU 49 N 14.00 1.01 -3.41 5.56 0.00 -1.26 -4.73 120.64 131.80 3kvv n GLU 49 Ca 0.00 -0.02 -0.44 0.00 0.00 0.00 0.00 57.16 56.70 3kvv n GLU 49 Cb 0.00 -1.12 -0.06 0.00 0.00 0.00 0.00 31.44 30.26 3kvv n GLU 49 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 3kvv s PHE 50 N -1.99 3.34 -0.17 -1.84 0.40 0.78 -4.00 117.98 114.50 3kvv s PHE 50 Ca 0.11 -1.57 -0.04 0.00 -0.60 0.00 0.00 56.93 54.83 3kvv s PHE 50 Cb 0.05 -3.67 -0.03 0.00 0.51 0.00 0.00 43.02 39.88 3kvv s PHE 50 CO 0.08 -1.01 -0.02 0.99 0.70 0.00 0.00 175.22 175.96 3kvv s THR 51 N 1.44 3.93 -0.16 0.64 2.01 -1.26 -1.24 115.64 121.00 3kvv s THR 51 Ca 0.05 -0.34 0.00 0.00 0.31 0.00 0.00 61.69 61.72 3kvv s THR 51 Cb -0.28 -2.74 0.02 0.00 0.01 0.00 0.00 72.50 69.52 3kvv s THR 51 CO 0.01 0.47 -0.15 -0.89 -0.69 0.00 0.00 174.62 173.38 3kvv s THR 52 N 0.58 1.63 0.19 -0.82 2.01 -0.22 -1.56 115.64 117.45 3kvv s THR 52 Ca -0.02 -0.69 0.07 0.00 0.31 0.00 0.00 61.69 61.35 3kvv s THR 52 Cb -0.14 -1.54 -0.04 0.00 0.01 0.00 0.00 72.50 70.79 3kvv s THR 52 CO 0.02 0.45 0.07 0.26 -0.69 0.00 0.00 174.62 174.73 3kvv s TRP 53 N 1.46 2.97 0.16 4.92 0.52 0.49 -0.05 118.94 129.42 3kvv s TRP 53 Ca 0.05 -0.10 0.09 0.00 0.02 0.00 0.00 56.10 56.15 3kvv s TRP 53 Cb -0.13 -1.41 -0.04 0.00 -1.15 0.00 0.00 33.47 30.74 3kvv s TRP 53 CO -0.11 0.53 -0.12 0.50 0.02 0.00 0.00 176.95 177.77 3kvv s ARG 54 N -3.18 1.99 0.00 4.98 3.52 -0.22 -0.47 118.95 125.58 3kvv s ARG 54 Ca 0.30 -1.24 0.00 0.00 -0.13 0.00 0.00 55.73 54.65 3kvv s ARG 54 Cb -0.09 -2.15 0.00 0.00 -1.56 0.00 0.00 34.95 31.15 3kvv s ARG 54 CO 0.21 0.45 0.00 0.00 -0.81 0.00 0.00 175.30 175.15 3kvv n ALA 55 N 0.24 0.00 -2.88 6.12 0.00 -0.18 -1.07 120.51 122.75 3kvv n ALA 55 Ca -0.12 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.18 3kvv n ALA 55 Cb 0.55 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.85 3kvv n ALA 55 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3kvv s GLU 56 N -1.59 0.27 -0.07 0.00 2.12 0.98 -1.09 118.70 119.32 3kvv s GLU 56 Ca 0.00 -0.10 -0.01 0.00 0.36 0.00 0.00 54.97 55.22 3kvv s GLU 56 Cb 0.00 -0.27 0.03 0.00 0.26 0.00 0.00 34.13 34.15 3kvv s GLU 56 CO 0.00 0.05 -0.00 -1.17 -0.54 0.00 0.00 175.26 173.60 3kvv s LEU 57 N 0.01 0.66 -1.15 2.70 2.96 0.44 -1.10 118.68 123.20 3kvv s LEU 57 Ca 0.00 -0.09 -0.08 0.00 -0.22 0.00 0.00 54.13 53.75 3kvv s LEU 57 Cb -0.02 -0.44 0.06 0.00 0.50 0.00 0.00 46.19 46.29 3kvv s LEU 57 CO -0.00 -0.18 0.37 0.47 -1.32 0.00 0.00 176.35 175.69 3kvv n ASP 58 N 5.04 -3.37 0.00 3.68 10.43 -1.26 -0.95 116.55 130.12 3kvv n ASP 58 Ca -0.09 -0.26 0.00 0.00 2.57 0.00 0.00 54.79 57.01 3kvv n ASP 58 Cb 0.50 -2.83 0.00 0.00 1.84 0.00 0.00 41.12 40.63 3kvv n ASP 58 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3kvv n GLY 59 N -1.04 0.73 3.39 0.44 0.00 -1.26 -5.05 105.19 102.40 3kvv n GLY 59 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 3kvv n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kvv s LYS 60 N -0.44 2.33 0.27 1.61 -0.14 -0.12 -5.10 119.74 118.15 3kvv s LYS 60 Ca 0.00 -0.81 -0.29 0.00 -1.36 0.00 0.00 55.97 53.50 3kvv s LYS 60 Cb 0.00 -2.21 -0.09 0.00 -1.68 0.00 0.00 37.83 33.84 3kvv s LYS 60 CO 0.00 0.58 1.25 -1.25 -0.76 0.00 0.00 175.35 175.17 3kvv s PRO 61 N -0.64 4.45 0.05 -1.68 0.04 -1.26 -0.42 135.00 135.53 3kvv s PRO 61 Ca 0.10 2.04 0.02 0.00 0.04 0.00 0.00 61.00 63.20 3kvv s PRO 61 Cb -0.11 -3.15 -0.03 0.00 0.04 0.00 0.00 34.50 31.26 3kvv s PRO 61 CO -0.00 -0.10 -0.08 0.08 0.04 0.00 0.00 177.00 176.94 3kvv s VAL 62 N -0.67 0.59 0.02 -0.36 1.01 -0.25 -4.37 120.40 116.37 3kvv s VAL 62 Ca 0.50 -1.15 0.01 0.00 0.00 0.00 0.00 61.98 61.35 3kvv s VAL 62 Cb -0.36 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 3kvv s VAL 62 CO 0.44 -0.40 0.07 -0.63 0.00 0.00 0.00 175.10 174.58 3kvv s ILE 63 N -1.50 4.61 -0.12 2.22 -1.09 -0.30 -1.01 121.20 124.02 3kvv s ILE 63 Ca -0.08 -0.52 0.01 0.00 -2.23 0.00 0.00 60.65 57.83 3kvv s ILE 63 Cb -0.09 -3.13 0.02 0.00 -1.58 0.00 0.00 42.46 37.68 3kvv s ILE 63 CO 0.00 0.30 -0.14 -0.69 -1.23 0.00 0.00 174.94 173.18 3kvv s VAL 64 N -1.23 1.43 -0.08 2.92 1.01 0.38 -0.68 120.40 124.14 3kvv s VAL 64 Ca 0.24 -0.58 -0.04 0.00 0.00 0.00 0.00 61.98 61.60 3kvv s VAL 64 Cb -0.12 -1.33 0.04 0.00 0.00 0.00 0.00 36.38 34.97 3kvv s VAL 64 CO 0.15 0.43 0.18 0.00 0.00 0.00 0.00 175.10 175.87 3kvv s SER 66 N 1.23 6.72 -0.01 0.00 1.04 -0.60 -3.53 113.70 118.55 3kvv s SER 66 Ca -0.09 1.77 0.15 0.00 0.48 0.00 0.00 55.95 58.27 3kvv s SER 66 Cb -0.11 -2.55 -0.21 0.00 0.10 0.00 0.00 66.02 63.25 3kvv s SER 66 CO -0.07 -0.51 0.45 0.35 0.98 0.00 0.00 173.24 174.43 3kvv n THR 67 N -0.77 0.00 -0.84 2.02 -2.24 -0.41 -4.43 114.28 107.61 3kvv n THR 67 Ca 0.08 -0.28 0.05 0.00 -2.27 0.00 0.00 64.05 61.63 3kvv n THR 67 Cb 0.53 0.45 -0.01 0.00 -2.10 0.00 0.00 70.33 69.20 3kvv n THR 67 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kvv n GLY 68 N 1.53 -2.12 3.72 3.38 0.00 -0.60 -3.28 105.19 107.82 3kvv n GLY 68 Ca -0.01 -1.41 -0.40 0.00 0.00 0.00 0.00 46.02 44.20 3kvv n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kvv s ILE 69 N -1.23 5.02 0.00 -0.61 1.01 -1.26 -4.66 121.20 119.48 3kvv s ILE 69 Ca 0.00 1.49 0.00 0.00 0.00 0.00 0.00 60.65 62.14 3kvv s ILE 69 Cb 0.00 -4.06 0.00 0.00 0.01 0.00 0.00 42.46 38.41 3kvv s ILE 69 CO 0.00 0.25 0.00 0.61 0.00 0.00 0.00 174.94 175.80 3kvv n GLY 70 N 3.06 2.57 0.27 6.18 0.00 -1.26 -4.63 105.19 111.39 3kvv n GLY 70 Ca -0.01 -1.73 0.05 0.00 0.00 0.00 0.00 46.02 44.33 3kvv n GLY 70 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3kvv h GLY 71 N 0.00 1.02 0.78 -0.02 0.00 -1.86 -1.74 103.07 101.25 3kvv h GLY 71 Ca 0.00 -0.07 0.01 0.00 0.00 0.00 0.00 47.33 47.27 3kvv h GLY 71 CO 0.00 -0.16 -0.15 -2.55 0.00 0.00 0.00 176.54 173.68 3kvv h PRO 72 N 0.32 -0.31 -0.30 4.80 0.11 -1.94 0.35 132.00 135.04 3kvv h PRO 72 Ca 0.40 0.02 -0.11 0.00 0.11 0.00 0.00 66.00 66.42 3kvv h PRO 72 Cb 0.65 0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.82 3kvv h PRO 72 CO -0.46 -0.20 -0.27 0.66 -0.21 0.00 0.00 178.00 177.51 3kvv h SER 73 N -0.32 0.61 -0.98 -2.05 4.64 -1.78 -2.42 113.55 111.25 3kvv h SER 73 Ca 0.01 -0.22 0.09 0.00 -0.47 0.00 0.00 61.79 61.20 3kvv h SER 73 Cb 0.32 -0.17 -0.08 0.00 -0.31 0.00 0.00 62.40 62.17 3kvv h SER 73 CO -0.06 0.86 0.62 0.74 -0.87 0.00 0.00 176.83 178.11 3kvv h THR 74 N 0.52 0.99 -0.39 2.95 2.02 -0.82 -2.40 112.91 115.77 3kvv h THR 74 Ca 0.07 -0.36 -0.10 0.00 0.77 0.00 0.00 66.41 66.79 3kvv h THR 74 Cb 0.74 -0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 3kvv h THR 74 CO 0.06 0.19 -0.17 0.77 0.37 0.00 0.00 175.52 176.73 3kvv h SER 75 N 1.04 0.73 0.36 4.18 4.64 0.18 -1.43 113.55 123.25 3kvv h SER 75 Ca 0.46 -0.24 -0.02 0.00 -0.47 0.00 0.00 61.79 61.52 3kvv h SER 75 Cb 0.34 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3kvv h SER 75 CO -0.22 0.91 -0.17 0.40 -0.87 0.00 0.00 176.83 176.87 3kvv h ILE 76 N 0.65 0.66 -0.19 0.95 2.04 -1.23 -1.91 117.51 118.48 3kvv h ILE 76 Ca 0.10 -0.16 0.03 0.00 1.00 0.00 0.00 64.86 65.83 3kvv h ILE 76 Cb 0.65 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 3kvv h ILE 76 CO 0.05 0.03 -0.00 0.00 0.00 0.00 0.00 178.15 178.23 3kvv h ALA 77 N 0.05 0.16 -0.61 1.87 0.00 -1.29 -0.30 119.26 119.14 3kvv h ALA 77 Ca -0.05 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3kvv h ALA 77 Cb 0.42 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 3kvv h ALA 77 CO 0.08 -0.44 0.34 0.28 0.00 0.00 0.00 179.25 179.51 3kvv h VAL 78 N 0.06 1.20 -0.26 0.00 2.07 -1.31 0.44 116.25 118.45 3kvv h VAL 78 Ca 0.09 -0.49 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 3kvv h VAL 78 Cb 0.12 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 3kvv h VAL 78 CO -0.16 0.21 0.09 -0.08 0.02 0.00 0.00 177.57 177.65 3kvv h GLU 79 N 0.83 0.40 -0.41 1.57 4.57 -0.96 0.13 114.58 120.71 3kvv h GLU 79 Ca 0.22 -0.08 -0.15 0.00 -1.18 0.00 0.00 59.36 58.17 3kvv h GLU 79 Cb 0.04 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 3kvv h GLU 79 CO -0.03 0.46 -0.32 0.93 -1.18 0.00 0.00 179.01 178.86 3kvv h GLU 80 N 0.26 0.93 -0.74 1.92 5.08 -0.89 -0.39 114.58 120.74 3kvv h GLU 80 Ca 0.08 -0.45 -0.02 0.00 -1.00 0.00 0.00 59.36 57.98 3kvv h GLU 80 Cb 0.22 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 3kvv h GLU 80 CO -0.00 1.11 0.39 -0.07 -1.00 0.00 0.00 179.01 179.43 3kvv h LEU 81 N 0.77 0.94 -0.94 1.33 3.38 -0.82 -2.27 115.31 117.69 3kvv h LEU 81 Ca 0.08 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3kvv h LEU 81 Cb 0.90 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 3kvv h LEU 81 CO 0.08 0.78 0.46 0.00 0.09 0.00 0.00 178.44 179.85 3kvv h ALA 82 N 1.20 1.19 -0.22 1.53 0.00 -0.53 -0.81 119.26 121.61 3kvv h ALA 82 Ca 0.26 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3kvv h ALA 82 Cb 0.07 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3kvv h ALA 82 CO -0.04 0.65 0.14 1.96 0.00 0.00 0.00 179.25 181.96 3kvv h GLN 83 N 1.21 0.29 -0.01 0.00 4.20 -0.72 -1.81 115.11 118.27 3kvv h GLN 83 Ca 0.30 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.99 3kvv h GLN 83 Cb 0.05 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.76 3kvv h GLN 83 CO -0.05 0.20 -0.17 1.28 -0.67 0.00 0.00 178.83 179.42 3kvv n LEU 84 N -4.50 0.72 0.00 1.46 4.77 -0.43 -4.91 117.00 114.12 3kvv n LEU 84 Ca 0.00 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 3kvv n LEU 84 Cb 0.08 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 3kvv n LEU 84 CO 0.35 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 3kvv n GLY 85 N 1.31 0.94 3.73 -0.72 0.00 -0.68 -4.83 105.19 104.93 3kvv n GLY 85 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3kvv n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kvv s ILE 86 N -2.00 3.36 -0.05 -0.61 -1.09 -0.52 -4.48 121.20 115.81 3kvv s ILE 86 Ca 0.00 1.08 0.03 0.00 -2.23 0.00 0.00 60.65 59.53 3kvv s ILE 86 Cb 0.00 -3.69 -0.05 0.00 -1.58 0.00 0.00 42.46 37.14 3kvv s ILE 86 CO 0.00 0.14 0.09 0.54 -1.23 0.00 0.00 174.94 174.48 3kvv n ARG 87 N 2.99 1.86 -4.36 2.79 5.12 0.12 -4.25 116.66 120.92 3kvv n ARG 87 Ca 0.07 -0.02 -0.25 0.00 -1.93 0.00 0.00 57.85 55.72 3kvv n ARG 87 Cb 0.43 -0.95 -0.17 0.00 -1.16 0.00 0.00 32.46 30.62 3kvv n ARG 87 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3kvv s THR 88 N -1.95 1.06 -0.15 0.55 2.01 -0.73 -0.64 115.64 115.79 3kvv s THR 88 Ca -0.00 -0.40 0.01 0.00 0.31 0.00 0.00 61.69 61.60 3kvv s THR 88 Cb 0.02 -1.00 0.02 0.00 0.01 0.00 0.00 72.50 71.55 3kvv s THR 88 CO 0.14 0.35 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.90 3kvv s PHE 89 N 0.97 2.26 -0.30 4.92 0.40 0.13 -0.66 117.98 125.70 3kvv s PHE 89 Ca -0.09 -1.24 -0.04 0.00 -0.60 0.00 0.00 56.93 54.96 3kvv s PHE 89 Cb -0.15 -1.63 0.04 0.00 0.51 0.00 0.00 43.02 41.79 3kvv s PHE 89 CO 0.00 -0.65 0.03 -0.51 0.70 0.00 0.00 175.22 174.79 3kvv s LEU 90 N 1.31 3.91 0.10 -0.37 1.43 -0.05 -1.09 118.68 123.92 3kvv s LEU 90 Ca 0.02 -1.10 -0.27 0.00 -1.03 0.00 0.00 54.13 51.75 3kvv s LEU 90 Cb -0.13 -1.77 -0.06 0.00 0.03 0.00 0.00 46.19 44.25 3kvv s LEU 90 CO -0.09 -0.25 0.86 -0.60 0.23 0.00 0.00 176.35 176.50 3kvv s ARG 91 N 1.34 4.61 -0.16 1.70 3.52 -0.40 -0.19 118.95 129.37 3kvv s ARG 91 Ca -0.02 1.27 0.01 0.00 -0.13 0.00 0.00 55.73 56.85 3kvv s ARG 91 Cb -0.19 -3.36 0.03 0.00 -1.56 0.00 0.00 34.95 29.87 3kvv s ARG 91 CO 0.00 0.29 -0.14 -1.50 -0.81 0.00 0.00 175.30 173.14 3kvv s ILE 92 N -0.19 1.63 0.13 4.11 -1.16 -1.21 -1.66 121.20 122.85 3kvv s ILE 92 Ca 0.42 -0.75 0.02 0.00 -0.51 0.00 0.00 60.65 59.83 3kvv s ILE 92 Cb -0.22 -1.57 -0.01 0.00 0.61 0.00 0.00 42.46 41.27 3kvv s ILE 92 CO 0.27 0.39 0.06 0.61 -2.81 0.00 0.00 174.94 173.46 3kvv n GLY 93 N 4.74 3.79 3.44 1.50 0.00 -0.21 -4.09 105.19 114.35 3kvv n GLY 93 Ca -0.17 -1.93 -0.30 0.00 0.00 0.00 0.00 46.02 43.63 3kvv n GLY 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kvv s THR 94 N -2.13 2.61 0.07 2.61 -4.23 -1.26 -1.39 115.64 111.92 3kvv s THR 94 Ca 0.08 -1.38 -0.08 0.00 -1.18 0.00 0.00 61.69 59.13 3kvv s THR 94 Cb 0.00 -2.12 -0.00 0.00 1.34 0.00 0.00 72.50 71.72 3kvv s THR 94 CO 0.06 0.25 0.17 0.42 -0.54 0.00 0.00 174.62 174.97 3kvv s THR 95 N -0.98 0.14 -0.27 3.99 -4.23 -0.17 -4.83 115.64 109.30 3kvv s THR 95 Ca 0.15 -1.19 -0.08 0.00 -1.18 0.00 0.00 61.69 59.38 3kvv s THR 95 Cb -0.10 -1.27 -0.02 0.00 1.34 0.00 0.00 72.50 72.44 3kvv s THR 95 CO 0.06 -0.66 0.11 -0.83 -0.54 0.00 0.00 174.62 172.76 3kvv s GLY 96 N -2.71 1.81 0.44 3.99 0.00 -1.05 -1.06 107.32 108.74 3kvv s GLY 96 Ca 0.03 -1.20 -0.21 0.00 0.00 0.00 0.00 44.72 43.34 3kvv s GLY 96 CO -0.10 0.59 1.00 0.00 0.00 0.00 0.00 173.10 174.60 3kvv s ALA 97 N 1.63 2.98 0.00 3.20 0.00 -0.34 -0.82 121.76 128.41 3kvv s ALA 97 Ca 0.06 0.55 0.00 0.00 0.00 0.00 0.00 51.96 52.57 3kvv s ALA 97 Cb -0.16 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.75 3kvv s ALA 97 CO 0.05 -0.12 0.61 0.44 0.00 0.00 0.00 175.76 176.75 3kvv n ILE 98 N -0.61 0.36 -4.04 0.00 -5.35 -0.18 -0.53 119.36 109.01 3kvv n ILE 98 Ca 0.07 -0.54 -0.36 0.00 -0.27 0.00 0.00 62.75 61.65 3kvv n ILE 98 Cb 0.52 0.96 -0.07 0.00 -1.74 0.00 0.00 39.64 39.31 3kvv n ILE 98 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3kvv s GLN 99 N -0.36 3.33 0.35 6.28 -1.52 -1.24 -4.80 119.66 121.70 3kvv s GLN 99 Ca 0.00 -0.23 0.04 0.00 -1.95 0.00 0.00 55.36 53.22 3kvv s GLN 99 Cb 0.00 -3.07 0.65 0.00 -0.22 0.00 0.00 33.01 30.37 3kvv s GLN 99 CO 0.00 0.73 1.93 -1.35 -0.25 0.00 0.00 175.29 176.35 3kvv h PRO 100 N 5.13 0.61 0.00 2.91 0.11 -1.96 -2.69 132.00 136.10 3kvv h PRO 100 Ca -0.53 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 65.49 3kvv h PRO 100 Cb 1.21 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3kvv h PRO 100 CO 0.58 0.53 0.00 -2.39 -0.21 0.00 0.00 178.00 176.50 3kvv n HIS 101 N -4.35 0.00 -3.47 0.65 1.44 -1.26 -4.69 115.22 103.54 3kvv n HIS 101 Ca 0.03 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 55.34 3kvv n HIS 101 Cb 0.17 -0.23 -0.10 0.00 0.12 0.00 0.00 29.99 29.95 3kvv n HIS 101 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3kvv s ILE 102 N -2.46 5.23 0.19 0.61 1.01 -1.02 -5.07 121.20 119.69 3kvv s ILE 102 Ca 0.27 -0.03 -0.11 0.00 0.00 0.00 0.00 60.65 60.77 3kvv s ILE 102 Cb 0.17 -3.75 -0.07 0.00 0.01 0.00 0.00 42.46 38.82 3kvv s ILE 102 CO 0.37 -0.02 0.54 0.20 0.00 0.00 0.00 174.94 176.03 3kvv s ASN 103 N 1.73 6.70 0.20 3.58 0.01 -1.26 -4.89 114.94 121.00 3kvv s ASN 103 Ca 0.09 0.98 -0.32 0.00 -0.71 0.00 0.00 52.86 52.90 3kvv s ASN 103 Cb -0.17 -2.25 -0.15 0.00 0.41 0.00 0.00 41.25 39.09 3kvv s ASN 103 CO 0.11 0.01 1.16 0.52 -1.51 0.00 0.00 177.10 177.39 3kvv n VAL 104 N 0.28 1.07 0.00 1.60 0.31 -1.26 -0.68 118.33 119.65 3kvv n VAL 104 Ca -0.02 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 3kvv n VAL 104 Cb 0.52 -0.92 0.00 0.00 -0.91 0.00 0.00 33.84 32.53 3kvv n VAL 104 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kvv n GLY 105 N 1.92 3.10 3.71 2.92 0.00 -0.51 -5.00 105.19 111.32 3kvv n GLY 105 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 3kvv n GLY 105 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kvv s ASP 106 N 0.22 3.69 -0.12 1.61 1.11 0.15 -4.73 116.67 118.60 3kvv s ASP 106 Ca 0.00 2.25 -0.02 0.00 0.18 0.00 0.00 52.55 54.96 3kvv s ASP 106 Cb 0.00 -2.58 -0.03 0.00 1.07 0.00 0.00 42.92 41.39 3kvv s ASP 106 CO 0.00 -2.59 -0.05 0.68 1.18 0.00 0.00 175.17 174.39 3kvv s VAL 107 N -2.32 3.86 -0.15 -1.27 -7.23 -0.31 -2.19 120.40 110.79 3kvv s VAL 107 Ca 0.70 -0.39 -0.01 0.00 -1.81 0.00 0.00 61.98 60.47 3kvv s VAL 107 Cb -0.26 -2.64 -0.01 0.00 0.56 0.00 0.00 36.38 34.03 3kvv s VAL 107 CO 0.51 0.55 -0.12 -0.76 -0.31 0.00 0.00 175.10 174.97 3kvv s LEU 108 N -0.20 2.70 -0.18 1.32 1.43 -0.46 -0.72 118.68 122.57 3kvv s LEU 108 Ca 0.03 -0.37 -0.05 0.00 -1.03 0.00 0.00 54.13 52.71 3kvv s LEU 108 Cb -0.13 -1.62 -0.03 0.00 0.03 0.00 0.00 46.19 44.44 3kvv s LEU 108 CO 0.02 0.11 0.00 -0.69 0.23 0.00 0.00 176.35 176.03 3kvv s VAL 109 N 0.66 4.14 -0.29 -1.59 1.01 0.03 -1.47 120.40 122.88 3kvv s VAL 109 Ca -0.06 -0.26 -0.15 0.00 0.00 0.00 0.00 61.98 61.50 3kvv s VAL 109 Cb -0.15 -2.85 -0.03 0.00 0.00 0.00 0.00 36.38 33.35 3kvv s VAL 109 CO 0.02 0.46 0.38 -0.89 0.00 0.00 0.00 175.10 175.07 3kvv s THR 110 N 0.64 5.16 0.10 3.92 2.01 -0.57 -1.84 115.64 125.06 3kvv s THR 110 Ca -0.00 0.42 -0.06 0.00 0.31 0.00 0.00 61.69 62.36 3kvv s THR 110 Cb -0.14 -3.75 -0.23 0.00 0.01 0.00 0.00 72.50 68.39 3kvv s THR 110 CO 0.02 0.07 1.22 0.71 -0.69 0.00 0.00 174.62 175.95 3kvv h THR 111 N 5.44 1.41 -2.22 -0.82 1.35 -1.55 -3.41 112.91 113.11 3kvv h THR 111 Ca -0.31 -2.65 0.14 0.00 -0.55 0.00 0.00 66.41 63.04 3kvv h THR 111 Cb 1.16 2.64 -0.14 0.00 -1.73 0.00 0.00 68.15 70.07 3kvv h THR 111 CO 0.66 0.79 0.52 0.00 -0.25 0.00 0.00 175.52 177.24 3kvv s ALA 112 N -3.02 -1.81 0.07 6.62 0.00 -1.26 -0.90 121.76 121.45 3kvv s ALA 112 Ca -0.06 0.85 0.08 0.00 0.00 0.00 0.00 51.96 52.84 3kvv s ALA 112 Cb 0.08 0.43 -0.03 0.00 0.00 0.00 0.00 23.12 23.60 3kvv s ALA 112 CO 0.88 -0.77 -0.22 -1.12 0.00 0.00 0.00 175.76 174.53 3kvv s SER 113 N -2.57 2.70 -0.06 0.00 0.01 -0.16 -1.84 113.70 111.76 3kvv s SER 113 Ca 0.07 -0.60 -0.30 0.00 1.31 0.00 0.00 55.95 56.43 3kvv s SER 113 Cb -0.01 -0.20 -0.03 0.00 0.21 0.00 0.00 66.02 65.99 3kvv s SER 113 CO -0.06 0.15 1.17 -0.69 0.41 0.00 0.00 173.24 174.22 3kvv s VAL 114 N -0.92 4.35 -1.15 3.43 1.01 0.11 -4.31 120.40 122.93 3kvv s VAL 114 Ca 0.09 1.66 -0.17 0.00 0.00 0.00 0.00 61.98 63.56 3kvv s VAL 114 Cb -0.09 -4.07 0.12 0.00 0.00 0.00 0.00 36.38 32.34 3kvv s VAL 114 CO 0.03 -0.00 1.45 -0.13 0.00 0.00 0.00 175.10 176.44 3kvv s ARG 115 N 2.17 3.89 -0.51 2.72 0.52 -1.26 -1.52 118.95 124.97 3kvv s ARG 115 Ca 0.54 -2.07 0.02 0.00 -0.52 0.00 0.00 55.73 53.70 3kvv s ARG 115 Cb -0.24 -5.19 0.59 0.00 0.52 0.00 0.00 34.95 30.63 3kvv s ARG 115 CO 0.21 -1.95 1.94 1.28 0.02 0.00 0.00 175.30 176.81 3kvv n LEU 116 N 6.94 6.98 -4.64 2.53 4.77 -0.17 -4.95 117.00 128.45 3kvv n LEU 116 Ca 0.36 -3.77 -0.29 0.00 -0.03 0.00 0.00 56.01 52.28 3kvv n LEU 116 Cb 0.46 -0.88 -0.09 0.00 -2.33 0.00 0.00 43.42 40.58 3kvv n LEU 116 CO 0.64 1.17 -0.27 1.51 -1.33 0.00 0.00 177.39 179.11 3kvv s ASP 117 N -1.40 3.71 -0.20 -1.43 -4.77 -1.22 -1.62 116.67 109.74 3kvv s ASP 117 Ca 0.58 -1.50 0.07 0.00 -3.30 0.00 0.00 52.55 48.40 3kvv s ASP 117 Cb 0.48 0.05 -0.17 0.00 -1.09 0.00 0.00 42.92 42.19 3kvv s ASP 117 CO 0.07 -0.66 -0.09 0.61 0.70 0.00 0.00 175.17 175.80 3kvv n GLY 118 N -1.04 -0.51 0.26 2.12 0.00 -1.26 -4.66 105.19 100.11 3kvv n GLY 118 Ca -0.10 -0.20 -0.01 0.00 0.00 0.00 0.00 46.02 45.71 3kvv n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kvv h ALA 119 N 0.33 1.27 -0.70 4.61 0.00 -1.98 -2.64 119.26 120.16 3kvv h ALA 119 Ca -0.47 -0.24 0.10 0.00 0.00 0.00 0.00 54.91 54.30 3kvv h ALA 119 Cb 1.86 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 19.46 3kvv h ALA 119 CO -0.04 0.48 0.46 0.66 0.00 0.00 0.00 179.25 180.82 3kvv h SER 120 N 0.51 0.48 0.68 0.00 4.64 -1.85 -0.28 113.55 117.73 3kvv h SER 120 Ca 0.10 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 3kvv h SER 120 Cb 0.43 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3kvv h SER 120 CO 0.02 0.28 0.00 -0.07 -0.87 0.00 0.00 176.83 176.19 3kvv h LEU 121 N 0.53 0.00 0.00 5.97 3.38 -1.58 -1.43 115.31 122.18 3kvv h LEU 121 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 3kvv h LEU 121 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3kvv h LEU 121 CO -0.11 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.83 3kvv n HIS 122 N -2.97 0.00 -0.02 1.13 8.25 -0.12 -3.81 115.22 117.68 3kvv n HIS 122 Ca -0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.43 3kvv n HIS 122 Cb 0.22 -0.29 -0.03 0.00 1.12 0.00 0.00 29.99 31.01 3kvv n HIS 122 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3kvv n PHE 123 N -1.29 0.00 -3.63 4.41 3.01 -0.62 -5.08 117.46 114.25 3kvv n PHE 123 Ca 0.14 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.45 3kvv n PHE 123 Cb 0.24 -0.18 -0.08 0.00 -0.01 0.00 0.00 39.48 39.46 3kvv n PHE 123 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3kvv s ALA 124 N -2.09 -1.47 0.84 4.37 0.00 -0.70 -5.01 121.76 117.71 3kvv s ALA 124 Ca -0.03 1.34 -0.10 0.00 0.00 0.00 0.00 51.96 53.16 3kvv s ALA 124 Cb 0.01 -0.47 0.10 0.00 0.00 0.00 0.00 23.12 22.76 3kvv s ALA 124 CO 0.13 -0.31 1.11 -1.25 0.00 0.00 0.00 175.76 175.44 3kvv s PRO 125 N -0.47 1.69 0.51 0.00 0.04 -1.26 -3.90 135.00 131.61 3kvv s PRO 125 Ca -0.06 1.25 0.25 0.00 0.04 0.00 0.00 61.00 62.47 3kvv s PRO 125 Cb -0.03 -1.83 1.33 0.00 0.04 0.00 0.00 34.50 34.02 3kvv s PRO 125 CO 0.05 -2.07 1.95 1.25 0.04 0.00 0.00 177.00 178.22 3kvv h LEU 126 N -1.44 0.10 -1.69 -3.56 5.85 -1.93 -1.34 115.31 111.29 3kvv h LEU 126 Ca -0.44 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.28 3kvv h LEU 126 Cb 1.25 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.27 3kvv h LEU 126 CO 0.48 0.05 0.00 1.05 -0.34 0.00 0.00 178.44 179.68 3kvv h GLU 127 N 0.10 0.00 -6.60 1.25 9.09 -2.03 -3.43 114.58 112.97 3kvv h GLU 127 Ca 0.33 0.00 -0.52 0.00 0.05 0.00 0.00 59.36 59.22 3kvv h GLU 127 Cb 1.16 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 28.28 3kvv h GLU 127 CO -0.04 0.00 0.56 0.12 0.05 0.00 0.00 179.01 179.70 3kvv s PHE 128 N -3.70 3.44 0.08 2.06 2.19 -0.51 -4.99 117.98 116.54 3kvv s PHE 128 Ca -0.00 1.38 -0.30 0.00 0.33 0.00 0.00 56.93 58.33 3kvv s PHE 128 Cb 0.10 -3.43 -0.05 0.00 -1.31 0.00 0.00 43.02 38.33 3kvv s PHE 128 CO 0.44 -1.23 1.07 -1.25 1.83 0.00 0.00 175.22 176.07 3kvv s PRO 129 N 0.21 4.55 -1.43 10.12 0.04 -1.26 -4.94 135.00 142.30 3kvv s PRO 129 Ca 0.55 1.60 -0.15 0.00 0.04 0.00 0.00 61.00 63.04 3kvv s PRO 129 Cb -0.32 -3.37 0.05 0.00 0.04 0.00 0.00 34.50 30.90 3kvv s PRO 129 CO 0.34 -0.04 2.14 0.00 0.04 0.00 0.00 177.00 179.48 3kvv n ALA 130 N 3.36 5.18 -2.86 8.56 0.00 -1.26 -4.77 120.51 128.72 3kvv n ALA 130 Ca 0.05 -3.88 -0.36 0.00 0.00 0.00 0.00 53.44 49.25 3kvv n ALA 130 Cb 0.48 -3.55 -0.06 0.00 0.00 0.00 0.00 19.45 16.32 3kvv n ALA 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kvv s VAL 131 N 3.37 5.35 0.52 0.00 0.11 -1.26 -0.99 120.40 127.50 3kvv s VAL 131 Ca 0.48 0.10 -0.18 0.00 -2.93 0.00 0.00 61.98 59.45 3kvv s VAL 131 Cb 0.12 -3.35 -0.07 0.00 -1.53 0.00 0.00 36.38 31.55 3kvv s VAL 131 CO -0.06 0.57 1.01 0.00 -3.33 0.00 0.00 175.10 173.30 3kvv s ALA 132 N -1.06 2.93 0.40 1.54 0.00 -0.08 -4.69 121.76 120.80 3kvv s ALA 132 Ca 0.17 0.36 -0.27 0.00 0.00 0.00 0.00 51.96 52.22 3kvv s ALA 132 Cb -0.12 -3.18 -0.10 0.00 0.00 0.00 0.00 23.12 19.72 3kvv s ALA 132 CO 0.06 -0.36 1.41 0.34 0.00 0.00 0.00 175.76 177.22 3kvv s ASP 133 N -2.64 6.22 0.15 0.00 2.15 -0.02 -4.91 116.67 117.62 3kvv s ASP 133 Ca 0.62 2.90 -0.12 0.00 0.43 0.00 0.00 52.55 56.38 3kvv s ASP 133 Cb -0.13 -2.66 0.03 0.00 -0.30 0.00 0.00 42.92 39.87 3kvv s ASP 133 CO 0.28 -0.94 1.63 0.15 -0.17 0.00 0.00 175.17 176.12 3kvv h PHE 134 N 2.74 0.93 -0.45 -5.34 3.04 -1.95 -1.15 116.94 114.77 3kvv h PHE 134 Ca -0.50 -0.14 -0.10 0.00 3.98 0.00 0.00 57.97 61.21 3kvv h PHE 134 Cb 1.25 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 39.49 3kvv h PHE 134 CO 0.52 0.85 -0.10 0.93 -2.02 0.00 0.00 178.31 178.49 3kvv h GLU 135 N 0.75 0.86 -0.43 1.11 5.08 -1.96 -0.34 114.58 119.65 3kvv h GLU 135 Ca 0.16 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 3kvv h GLU 135 Cb 0.43 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 3kvv h GLU 135 CO 0.01 0.96 0.21 0.00 -1.00 0.00 0.00 179.01 179.19 3kvv h THR 137 N 0.55 1.25 -0.16 0.00 2.02 -1.11 -2.24 112.91 113.22 3kvv h THR 137 Ca 0.15 -0.88 0.04 0.00 0.77 0.00 0.00 66.41 66.48 3kvv h THR 137 Cb 0.11 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 3kvv h THR 137 CO -0.02 0.32 -0.06 0.74 0.37 0.00 0.00 175.52 176.87 3kvv h THR 138 N 0.80 0.79 -0.71 3.16 2.02 -0.87 -0.97 112.91 117.13 3kvv h THR 138 Ca 0.18 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.35 3kvv h THR 138 Cb 0.34 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 3kvv h THR 138 CO 0.00 0.00 0.40 0.00 0.37 0.00 0.00 175.52 176.30 3kvv h ALA 139 N 1.12 0.90 -0.58 6.16 0.00 -1.13 -0.08 119.26 125.65 3kvv h ALA 139 Ca 0.08 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3kvv h ALA 139 Cb 0.16 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3kvv h ALA 139 CO -0.18 0.40 0.35 -0.07 0.00 0.00 0.00 179.25 179.75 3kvv h LEU 140 N 0.97 0.69 -0.40 0.00 3.38 -1.17 0.81 115.31 119.59 3kvv h LEU 140 Ca 0.25 -0.05 -0.17 0.00 0.09 0.00 0.00 57.88 58.00 3kvv h LEU 140 Cb 0.01 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 3kvv h LEU 140 CO -0.04 0.54 -0.48 0.58 0.09 0.00 0.00 178.44 179.13 3kvv h VAL 141 N 0.78 1.28 -0.42 1.22 2.07 -0.67 -1.49 116.25 119.02 3kvv h VAL 141 Ca 0.21 -1.67 -0.12 0.00 0.82 0.00 0.00 66.70 65.93 3kvv h VAL 141 Cb -0.03 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 3kvv h VAL 141 CO -0.04 0.54 -0.22 -0.33 0.02 0.00 0.00 177.57 177.54 3kvv h GLU 142 N 0.65 0.89 -0.84 1.57 5.08 -0.94 -1.53 114.58 119.47 3kvv h GLU 142 Ca 0.03 -0.40 0.01 0.00 -1.00 0.00 0.00 59.36 58.00 3kvv h GLU 142 Cb 1.06 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.25 3kvv h GLU 142 CO 0.11 1.05 0.55 0.00 -1.00 0.00 0.00 179.01 179.72 3kvv h ALA 143 N 0.82 1.06 -0.30 3.43 0.00 -0.77 0.21 119.26 123.72 3kvv h ALA 143 Ca 0.09 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 3kvv h ALA 143 Cb 0.79 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3kvv h ALA 143 CO 0.07 0.47 -0.35 0.00 0.00 0.00 0.00 179.25 179.44 3kvv h ALA 144 N 1.31 0.83 0.00 0.00 0.00 -1.10 -1.97 119.26 118.33 3kvv h ALA 144 Ca 0.31 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 3kvv h ALA 144 Cb -0.13 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3kvv h ALA 144 CO -0.07 0.64 -0.56 1.57 0.00 0.00 0.00 179.25 180.84 3kvv h LYS 145 N 0.56 0.00 0.25 0.00 5.09 -1.06 -1.12 116.57 120.29 3kvv h LYS 145 Ca 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.79 3kvv h LYS 145 Cb 0.86 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.19 3kvv h LYS 145 CO 0.07 0.56 -0.14 1.03 -2.09 0.00 0.00 179.45 178.89 3kvv h SER 146 N 0.00 -0.33 0.33 7.07 0.87 -0.06 -2.94 113.55 118.50 3kvv h SER 146 Ca -0.01 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 3kvv h SER 146 Cb 1.10 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 3kvv h SER 146 CO 0.07 -0.22 -0.19 2.30 -0.53 0.00 0.00 176.83 178.26 3kvv n ILE 147 N -5.25 0.00 -2.26 2.23 -5.35 -0.79 -4.94 119.36 103.00 3kvv n ILE 147 Ca -0.09 -0.09 -0.04 0.00 -0.27 0.00 0.00 62.75 62.27 3kvv n ILE 147 Cb 0.17 0.13 0.00 0.00 -1.74 0.00 0.00 39.64 38.20 3kvv n ILE 147 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kvv n GLY 148 N 1.32 0.38 3.80 3.28 0.00 -0.77 -5.04 105.19 108.16 3kvv n GLY 148 Ca 0.13 -0.67 -0.35 0.00 0.00 0.00 0.00 46.02 45.12 3kvv n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kvv s ALA 149 N -2.45 3.18 -0.37 4.61 0.00 -0.50 -4.98 121.76 121.25 3kvv s ALA 149 Ca 0.03 0.44 -0.28 0.00 0.00 0.00 0.00 51.96 52.14 3kvv s ALA 149 Cb -0.01 -3.12 -0.01 0.00 0.00 0.00 0.00 23.12 19.97 3kvv s ALA 149 CO 0.04 0.18 1.75 0.99 0.00 0.00 0.00 175.76 178.72 3kvv s THR 150 N -1.79 3.53 -0.04 0.00 2.01 -1.26 -4.70 115.64 113.38 3kvv s THR 150 Ca 0.53 0.52 0.05 0.00 0.31 0.00 0.00 61.69 63.10 3kvv s THR 150 Cb -0.15 -3.76 -0.02 0.00 0.01 0.00 0.00 72.50 68.57 3kvv s THR 150 CO 0.20 -0.52 -0.20 -0.89 -0.69 0.00 0.00 174.62 172.52 3kvv s THR 151 N 6.92 2.58 -0.04 -0.82 2.01 -1.26 -1.16 115.64 123.86 3kvv s THR 151 Ca 0.76 -0.90 0.06 0.00 0.31 0.00 0.00 61.69 61.92 3kvv s THR 151 Cb -0.20 -1.97 -0.02 0.00 0.01 0.00 0.00 72.50 70.32 3kvv s THR 151 CO 0.32 0.58 -0.24 -1.00 -0.69 0.00 0.00 174.62 173.59 3kvv s HIS 152 N -0.57 2.43 -0.13 4.92 3.76 0.10 -4.97 115.29 120.84 3kvv s HIS 152 Ca 0.08 -0.52 0.02 0.00 -0.15 0.00 0.00 55.06 54.50 3kvv s HIS 152 Cb -0.11 -1.56 0.01 0.00 1.11 0.00 0.00 32.58 32.03 3kvv s HIS 152 CO 0.01 -0.08 -0.21 0.08 -0.85 0.00 0.00 174.74 173.68 3kvv s VAL 153 N -0.43 1.95 -2.63 -0.90 1.01 -1.26 -0.79 120.40 117.35 3kvv s VAL 153 Ca 0.05 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.11 3kvv s VAL 153 Cb -0.12 -1.73 0.00 0.00 0.00 0.00 0.00 36.38 34.54 3kvv s VAL 153 CO 0.01 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.25 3kvv n GLY 154 N 4.04 -0.57 3.82 4.51 0.00 -0.77 -4.96 105.19 111.26 3kvv n GLY 154 Ca -0.20 -0.74 -0.38 0.00 0.00 0.00 0.00 46.02 44.70 3kvv n GLY 154 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kvv s VAL 155 N -3.39 4.85 -0.02 1.61 1.01 -1.26 -1.36 120.40 121.85 3kvv s VAL 155 Ca 0.00 1.07 0.07 0.00 0.00 0.00 0.00 61.98 63.12 3kvv s VAL 155 Cb 0.00 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 3kvv s VAL 155 CO 0.00 0.56 -0.23 -0.89 0.00 0.00 0.00 175.10 174.54 3kvv s THR 156 N -1.10 2.31 -0.27 3.92 2.01 -0.77 -0.91 115.64 120.83 3kvv s THR 156 Ca 0.27 -1.06 -0.19 0.00 0.31 0.00 0.00 61.69 61.02 3kvv s THR 156 Cb -0.18 -1.84 -0.02 0.00 0.01 0.00 0.00 72.50 70.46 3kvv s THR 156 CO 0.17 0.55 0.57 0.00 -0.69 0.00 0.00 174.62 175.22 3kvv s ALA 157 N -0.67 3.59 -0.30 7.40 0.00 0.44 0.08 121.76 132.31 3kvv s ALA 157 Ca 0.11 -0.56 -0.06 0.00 0.00 0.00 0.00 51.96 51.45 3kvv s ALA 157 Cb -0.10 -2.97 0.02 0.00 0.00 0.00 0.00 23.12 20.07 3kvv s ALA 157 CO -0.00 -0.81 0.06 0.45 0.00 0.00 0.00 175.76 175.46 3kvv s SER 158 N 1.53 5.05 -0.03 0.00 0.15 -0.58 -2.05 113.70 117.78 3kvv s SER 158 Ca 0.23 -0.84 0.03 0.00 0.70 0.00 0.00 55.95 56.07 3kvv s SER 158 Cb -0.15 -1.84 -0.03 0.00 -1.71 0.00 0.00 66.02 62.28 3kvv s SER 158 CO 0.09 -0.21 -0.11 -0.55 1.20 0.00 0.00 173.24 173.66 3kvv s SER 159 N 1.45 4.33 0.00 5.45 0.15 -0.20 -1.00 113.70 123.87 3kvv s SER 159 Ca 0.01 -0.16 0.21 0.00 0.70 0.00 0.00 55.95 56.71 3kvv s SER 159 Cb -0.18 -0.97 0.98 0.00 -1.71 0.00 0.00 66.02 64.15 3kvv s SER 159 CO 0.01 0.32 1.69 0.47 1.20 0.00 0.00 173.24 176.93 3kvv n ASP 160 N 1.99 0.00 -4.26 5.45 9.92 -0.64 -4.38 116.55 124.63 3kvv n ASP 160 Ca -0.17 0.29 -0.20 0.00 -0.53 0.00 0.00 54.79 54.19 3kvv n ASP 160 Cb 0.52 -0.42 -0.11 0.00 -0.64 0.00 0.00 41.12 40.47 3kvv n ASP 160 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 3kvv s THR 161 N -2.83 1.49 -0.05 -3.53 2.01 -1.26 -5.00 115.64 106.47 3kvv s THR 161 Ca 0.14 -1.71 0.07 0.00 0.31 0.00 0.00 61.69 60.51 3kvv s THR 161 Cb 0.14 -1.57 -0.24 0.00 0.01 0.00 0.00 72.50 70.84 3kvv s THR 161 CO 0.36 -0.32 0.63 0.15 -0.69 0.00 0.00 174.62 174.76 3kvv h PHE 162 N 3.60 0.14 0.00 4.92 3.57 -1.96 -3.39 116.94 123.82 3kvv h PHE 162 Ca -0.41 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 60.98 3kvv h PHE 162 Cb 1.20 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.93 3kvv h PHE 162 CO 0.65 1.21 0.00 0.66 -2.23 0.00 0.00 178.31 178.60 3kvv n TYR 163 N -3.18 0.00 0.21 0.41 4.02 -1.26 -4.34 117.16 113.02 3kvv n TYR 163 Ca -0.20 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.74 3kvv n TYR 163 Cb 1.05 0.00 0.47 0.00 -0.02 0.00 0.00 39.34 40.84 3kvv n TYR 163 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3kvv h PRO 164 N 0.00 0.00 0.00 -0.72 0.13 -1.89 -0.49 132.00 129.03 3kvv h PRO 164 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3kvv h PRO 164 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3kvv h PRO 164 CO 0.00 0.24 0.00 0.41 -0.23 0.00 0.00 178.00 178.42 3kvv n GLY 165 N -0.80 -1.37 0.85 1.56 0.00 -1.26 -1.40 105.19 102.76 3kvv n GLY 165 Ca -0.02 0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.08 3kvv n GLY 165 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kvv n GLN 166 N -2.01 2.63 -4.13 1.61 6.02 -0.79 -4.92 117.38 115.79 3kvv n GLN 166 Ca 0.04 -2.86 -0.29 0.00 -0.01 0.00 0.00 57.00 53.88 3kvv n GLN 166 Cb 0.29 -1.81 -0.06 0.00 1.02 0.00 0.00 30.24 29.68 3kvv n GLN 166 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 3kvv n GLU 167 N -0.68 -2.03 -3.05 -1.09 2.13 -0.49 -4.93 120.64 110.50 3kvv n GLU 167 Ca 0.22 0.24 -0.39 0.00 0.66 0.00 0.00 57.16 57.89 3kvv n GLU 167 Cb 0.89 -4.00 -0.06 0.00 0.27 0.00 0.00 31.44 28.54 3kvv n GLU 167 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3kvv s ARG 168 N -6.97 4.47 0.00 5.31 0.52 -0.26 -4.96 118.95 117.05 3kvv s ARG 168 Ca 0.02 1.03 0.06 0.00 -0.52 0.00 0.00 55.73 56.32 3kvv s ARG 168 Cb -0.01 -3.29 -0.03 0.00 0.52 0.00 0.00 34.95 32.13 3kvv s ARG 168 CO 0.94 0.49 0.37 0.66 0.02 0.00 0.00 175.30 177.78 3kvv n TYR 169 N 2.04 0.00 -1.29 -0.53 4.02 -1.26 -4.42 117.16 115.72 3kvv n TYR 169 Ca -0.06 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.46 3kvv n TYR 169 Cb 0.50 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.79 3kvv n TYR 169 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 3kvv n ASP 170 N -0.74 6.44 -3.83 7.72 5.75 -1.26 -4.18 116.55 126.46 3kvv n ASP 170 Ca 0.02 -2.60 -0.15 0.00 -0.01 0.00 0.00 54.79 52.05 3kvv n ASP 170 Cb 0.11 -1.46 -0.09 0.00 -1.03 0.00 0.00 41.12 38.65 3kvv n ASP 170 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3kvv s THR 171 N 2.86 0.00 0.16 2.12 -4.23 -1.26 -5.01 115.64 110.27 3kvv s THR 171 Ca 0.58 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.91 3kvv s THR 171 Cb 0.15 -2.50 0.07 0.00 1.34 0.00 0.00 72.50 71.56 3kvv s THR 171 CO -0.05 0.00 1.67 0.22 -0.54 0.00 0.00 174.62 175.92 3kvv h TYR 172 N 2.41 -0.21 0.05 3.99 5.03 -1.99 -2.88 116.97 123.36 3kvv h TYR 172 Ca -0.31 0.03 -0.25 0.00 2.58 0.00 0.00 58.73 60.78 3kvv h TYR 172 Cb 1.24 0.15 -0.02 0.00 1.55 0.00 0.00 36.73 39.65 3kvv h TYR 172 CO 0.94 -0.16 -1.25 0.66 -1.32 0.00 0.00 178.16 177.03 3kvv h SER 173 N -0.01 0.16 -0.26 -2.11 4.64 -1.97 -3.47 113.55 110.52 3kvv h SER 173 Ca 0.17 -0.19 -0.11 0.00 -0.47 0.00 0.00 61.79 61.19 3kvv h SER 173 Cb 0.27 -0.05 -0.04 0.00 -0.31 0.00 0.00 62.40 62.27 3kvv h SER 173 CO -0.37 1.15 -0.10 0.61 -0.87 0.00 0.00 176.83 177.25 3kvv n GLY 174 N 1.47 0.75 3.23 -0.77 0.00 -1.09 -5.00 105.19 103.79 3kvv n GLY 174 Ca -0.07 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 45.49 3kvv n GLY 174 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3kvv s ARG 175 N -1.99 1.08 -0.03 1.61 1.70 -1.26 -4.92 118.95 115.13 3kvv s ARG 175 Ca 0.00 -1.52 0.02 0.00 -0.47 0.00 0.00 55.73 53.76 3kvv s ARG 175 Cb 0.00 -0.20 0.01 0.00 -0.57 0.00 0.00 34.95 34.18 3kvv s ARG 175 CO 0.00 -0.15 -0.08 0.08 -1.08 0.00 0.00 175.30 174.07 3kvv s VAL 176 N -3.70 0.74 0.54 4.99 1.01 -1.26 -4.93 120.40 117.79 3kvv s VAL 176 Ca 0.24 -0.32 -0.21 0.00 0.00 0.00 0.00 61.98 61.69 3kvv s VAL 176 Cb 0.06 -0.68 -0.06 0.00 0.00 0.00 0.00 36.38 35.71 3kvv s VAL 176 CO 0.04 0.24 1.17 0.55 0.00 0.00 0.00 175.10 177.10 3kvv n VAL 177 N 3.45 3.52 -0.30 2.92 3.14 -1.26 -4.61 118.33 125.19 3kvv n VAL 177 Ca -0.20 -0.50 0.07 0.00 -2.96 0.00 0.00 64.34 60.76 3kvv n VAL 177 Cb 0.54 -1.41 0.18 0.00 -1.06 0.00 0.00 33.84 32.08 3kvv n VAL 177 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 3kvv h ARG 178 N 1.17 0.04 -0.94 1.45 2.43 -2.00 0.56 114.38 117.09 3kvv h ARG 178 Ca -0.49 -0.00 0.23 0.00 -0.81 0.00 0.00 59.98 58.91 3kvv h ARG 178 Cb 1.33 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 30.80 3kvv h ARG 178 CO 0.55 0.03 0.63 1.25 -1.51 0.00 0.00 179.97 180.92 3kvv h HIS 179 N 0.04 0.46 -0.02 2.20 2.76 -2.02 -2.27 115.15 116.30 3kvv h HIS 179 Ca 0.47 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.65 3kvv h HIS 179 Cb 0.83 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.65 3kvv h HIS 179 CO -0.53 0.10 -0.34 1.19 -1.30 0.00 0.00 177.93 177.04 3kvv n PHE 180 N -4.48 0.00 -1.80 5.26 3.01 0.17 -4.80 117.46 114.81 3kvv n PHE 180 Ca 0.21 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.25 3kvv n PHE 180 Cb 0.80 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.24 3kvv n PHE 180 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3kvv s LYS 181 N -2.10 4.16 0.00 -1.08 -0.14 -0.86 -1.99 119.74 117.74 3kvv s LYS 181 Ca 0.17 2.50 0.00 0.00 -1.36 0.00 0.00 55.97 57.28 3kvv s LYS 181 Cb 0.16 -3.43 0.00 0.00 -1.68 0.00 0.00 37.83 32.87 3kvv s LYS 181 CO 0.45 -0.77 0.00 0.41 -0.76 0.00 0.00 175.35 174.68 3kvv n GLY 182 N 4.06 0.60 0.25 -3.33 0.00 -1.26 -4.93 105.19 100.58 3kvv n GLY 182 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 3kvv n GLY 182 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kvv h SER 183 N 0.00 0.94 -0.67 1.61 4.64 -1.71 -2.55 113.55 115.81 3kvv h SER 183 Ca 0.00 -0.48 0.03 0.00 -0.47 0.00 0.00 61.79 60.87 3kvv h SER 183 Cb 0.08 -0.27 -0.04 0.00 -0.31 0.00 0.00 62.40 61.87 3kvv h SER 183 CO 0.00 1.23 0.42 -0.03 -0.87 0.00 0.00 176.83 177.58 3kvv h MET 184 N 0.67 0.81 -0.71 4.77 -1.53 -1.92 0.90 114.93 117.93 3kvv h MET 184 Ca 0.05 -0.05 -0.04 0.00 -3.44 0.00 0.00 59.70 56.22 3kvv h MET 184 Cb 0.98 -0.18 -0.03 0.00 -0.55 0.00 0.00 31.60 31.81 3kvv h MET 184 CO 0.09 0.54 0.27 1.49 0.14 0.00 0.00 176.91 179.44 3kvv h GLU 185 N 0.84 1.06 -0.30 0.39 4.81 -1.95 0.24 114.58 119.66 3kvv h GLU 185 Ca 0.27 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 3kvv h GLU 185 Cb -0.00 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 3kvv h GLU 185 CO -0.10 0.87 0.13 1.49 -0.73 0.00 0.00 179.01 180.67 3kvv h GLU 186 N 1.03 0.44 -0.45 1.92 4.57 -0.90 -1.38 114.58 119.81 3kvv h GLU 186 Ca 0.24 -0.07 -0.07 0.00 -1.18 0.00 0.00 59.36 58.27 3kvv h GLU 186 Cb 0.22 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.71 3kvv h GLU 186 CO -0.02 0.43 -0.02 -1.49 -1.18 0.00 0.00 179.01 176.73 3kvv h TRP 187 N 0.34 0.81 0.02 0.92 -0.00 -0.40 -2.43 115.95 115.21 3kvv h TRP 187 Ca 0.10 -0.12 0.00 0.00 -0.00 0.00 0.00 58.89 58.88 3kvv h TRP 187 Cb 0.15 -0.22 -0.00 0.00 -0.00 0.00 0.00 29.16 29.09 3kvv h TRP 187 CO -0.01 0.76 -0.02 1.96 -0.00 0.00 0.00 178.44 181.13 3kvv h GLN 188 N 0.70 -0.04 -0.32 0.49 4.20 -0.73 -0.78 115.11 118.64 3kvv h GLN 188 Ca 0.14 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.88 3kvv h GLN 188 Cb 0.46 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 3kvv h GLN 188 CO 0.02 -0.02 0.21 0.00 -0.67 0.00 0.00 178.83 178.37 3kvv h ALA 189 N 0.94 1.94 -0.07 3.87 0.00 -1.16 -0.94 119.26 123.85 3kvv h ALA 189 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kvv h ALA 189 Cb 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3kvv h ALA 189 CO -0.01 0.01 0.00 -1.33 0.00 0.00 0.00 179.25 177.93 3kvv n MET 190 N -4.49 1.27 -0.92 0.00 2.81 -0.83 -4.89 117.12 110.08 3kvv n MET 190 Ca 0.03 -0.41 0.00 0.00 -1.81 0.00 0.00 57.70 55.51 3kvv n MET 190 Cb 0.18 -1.29 0.00 0.00 -0.71 0.00 0.00 33.22 31.40 3kvv n MET 190 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kvv n GLY 191 N 0.88 0.54 3.75 3.03 0.00 -0.36 -5.01 105.19 108.02 3kvv n GLY 191 Ca 0.13 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 3kvv n GLY 191 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kvv s VAL 192 N -2.00 2.35 0.02 1.61 1.01 -0.36 -4.65 120.40 118.38 3kvv s VAL 192 Ca 0.00 0.31 -0.06 0.00 0.00 0.00 0.00 61.98 62.23 3kvv s VAL 192 Cb 0.00 -3.20 -0.29 0.00 0.00 0.00 0.00 36.38 32.89 3kvv s VAL 192 CO 0.00 0.05 0.92 0.24 0.00 0.00 0.00 175.10 176.31 3kvv h MET 193 N 4.60 0.31 -2.41 2.72 0.00 -1.35 -3.41 114.93 115.39 3kvv h MET 193 Ca -0.47 -0.53 0.15 0.00 0.00 0.00 0.00 59.70 58.85 3kvv h MET 193 Cb 1.22 0.20 -0.09 0.00 0.00 0.00 0.00 31.60 32.93 3kvv h MET 193 CO 0.76 1.21 0.45 0.54 0.00 0.00 0.00 176.91 179.87 3kvv s ASN 194 N -7.14 -0.22 -0.05 1.22 4.22 -1.26 -1.01 114.94 110.71 3kvv s ASN 194 Ca -0.09 -0.36 0.04 0.00 -2.14 0.00 0.00 52.86 50.31 3kvv s ASN 194 Cb 0.06 0.50 -0.03 0.00 1.28 0.00 0.00 41.25 43.07 3kvv s ASN 194 CO 0.87 -0.91 -0.15 -0.31 -2.04 0.00 0.00 177.10 174.56 3kvv s TYR 195 N -3.34 2.67 0.00 1.54 1.51 0.00 -0.42 117.35 119.32 3kvv s TYR 195 Ca 0.11 -0.18 0.00 0.00 -1.01 0.00 0.00 57.07 55.99 3kvv s TYR 195 Cb -0.02 -1.62 0.00 0.00 -0.11 0.00 0.00 41.96 40.22 3kvv s TYR 195 CO 0.01 0.17 0.00 -0.85 -1.11 0.00 0.00 175.55 173.77 3kvv n GLU 196 N 2.31 0.00 0.00 -0.62 -0.00 -0.87 -2.54 120.64 118.91 3kvv n GLU 196 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.99 3kvv n GLU 196 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.96 3kvv n GLU 196 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 3kvv n MET 197 N 0.00 0.61 0.00 3.44 2.81 -1.26 -1.03 117.12 121.69 3kvv n MET 197 Ca 0.00 -0.72 0.00 0.00 -1.81 0.00 0.00 57.70 55.17 3kvv n MET 197 Cb 0.00 -0.82 0.00 0.00 -0.71 0.00 0.00 33.22 31.69 3kvv n MET 197 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3kvv n GLU 198 N -0.16 3.19 0.01 0.03 4.71 -1.26 -3.45 120.64 123.71 3kvv n GLU 198 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.16 57.10 3kvv n GLU 198 Cb 0.21 -0.70 0.15 0.00 -1.01 0.00 0.00 31.44 30.09 3kvv n GLU 198 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 3kvv h SER 199 N 0.00 0.52 -0.67 1.62 4.64 -1.94 -1.87 113.55 115.85 3kvv h SER 199 Ca 0.00 -0.21 0.01 0.00 -0.47 0.00 0.00 61.79 61.11 3kvv h SER 199 Cb 0.00 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 61.91 3kvv h SER 199 CO 0.00 0.84 0.45 0.00 -0.87 0.00 0.00 176.83 177.24 3kvv h ALA 200 N 1.19 0.85 0.22 5.18 0.00 -1.87 0.17 119.26 125.00 3kvv h ALA 200 Ca 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3kvv h ALA 200 Cb 0.82 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3kvv h ALA 200 CO 0.07 0.28 -0.11 1.15 0.00 0.00 0.00 179.25 180.64 3kvv h THR 201 N 0.91 0.86 -0.24 0.00 2.02 -1.88 -1.88 112.91 112.70 3kvv h THR 201 Ca 0.25 -0.65 0.06 0.00 0.77 0.00 0.00 66.41 66.83 3kvv h THR 201 Cb -0.10 1.23 -0.06 0.00 -1.74 0.00 0.00 68.15 67.47 3kvv h THR 201 CO -0.05 0.14 -0.17 0.25 0.37 0.00 0.00 175.52 176.06 3kvv h LEU 202 N -0.63 -0.56 -0.44 2.58 5.85 -1.21 -0.87 115.31 120.03 3kvv h LEU 202 Ca -0.03 0.12 -0.15 0.00 0.84 0.00 0.00 57.88 58.65 3kvv h LEU 202 Cb 0.45 0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 3kvv h LEU 202 CO 0.05 -0.21 -0.33 -0.07 -0.34 0.00 0.00 178.44 177.54 3kvv h LEU 203 N -0.16 1.00 -0.16 2.25 3.38 -0.68 -1.81 115.31 119.12 3kvv h LEU 203 Ca 0.14 -0.43 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 3kvv h LEU 203 Cb 0.37 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3kvv h LEU 203 CO -0.34 1.23 -0.03 0.74 0.09 0.00 0.00 178.44 180.13 3kvv h THR 204 N 0.79 1.28 -0.05 0.22 2.02 -1.21 0.22 112.91 116.17 3kvv h THR 204 Ca 0.08 -0.96 -0.06 0.00 0.77 0.00 0.00 66.41 66.23 3kvv h THR 204 Cb 0.92 1.60 -0.01 0.00 -1.74 0.00 0.00 68.15 68.92 3kvv h THR 204 CO 0.09 0.28 -0.25 0.00 0.37 0.00 0.00 175.52 176.01 3kvv h MET 205 N 0.01 0.09 0.14 6.66 -0.00 -1.12 -1.51 114.93 119.20 3kvv h MET 205 Ca 0.04 -0.03 -0.19 0.00 -0.00 0.00 0.00 59.70 59.52 3kvv h MET 205 Cb 0.45 -0.01 0.02 0.00 -0.00 0.00 0.00 31.60 32.06 3kvv h MET 205 CO 0.01 0.34 -0.88 0.00 -0.00 0.00 0.00 176.91 176.38 3kvv h ALA 207 N 0.06 1.24 -0.19 0.00 0.00 -0.81 -1.02 119.26 118.54 3kvv h ALA 207 Ca -0.16 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3kvv h ALA 207 Cb 1.65 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.43 3kvv h ALA 207 CO 0.14 0.10 0.00 -1.13 0.00 0.00 0.00 179.25 178.36 3kvv n SER 208 N -3.53 2.83 -0.21 0.00 3.41 -0.58 -4.28 113.62 111.25 3kvv n SER 208 Ca -0.02 -1.90 0.02 0.00 -0.26 0.00 0.00 58.87 56.71 3kvv n SER 208 Cb 0.21 -0.12 0.02 0.00 -0.26 0.00 0.00 64.21 64.07 3kvv n SER 208 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kvv n GLN 209 N 1.13 0.61 -1.67 4.33 6.02 -0.88 -5.01 117.38 121.91 3kvv n GLN 209 Ca 0.17 -1.19 -0.09 0.00 -0.01 0.00 0.00 57.00 55.88 3kvv n GLN 209 Cb 0.54 -0.74 -0.02 0.00 1.02 0.00 0.00 30.24 31.03 3kvv n GLN 209 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kvv n GLY 210 N -0.31 0.62 3.83 1.08 0.00 -1.01 -5.03 105.19 104.36 3kvv n GLY 210 Ca 0.03 -0.55 -0.34 0.00 0.00 0.00 0.00 46.02 45.16 3kvv n GLY 210 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kvv s LEU 211 N -2.40 4.11 0.00 0.99 1.43 -0.44 -5.05 118.68 117.31 3kvv s LEU 211 Ca 0.00 0.26 -0.21 0.00 -1.03 0.00 0.00 54.13 53.15 3kvv s LEU 211 Cb 0.00 -2.34 -0.05 0.00 0.03 0.00 0.00 46.19 43.82 3kvv s LEU 211 CO 0.00 0.29 0.60 -0.13 0.23 0.00 0.00 176.35 177.34 3kvv s ARG 212 N -1.68 4.32 0.01 1.70 0.52 0.19 -4.02 118.95 119.99 3kvv s ARG 212 Ca 0.23 0.75 0.01 0.00 -0.52 0.00 0.00 55.73 56.20 3kvv s ARG 212 Cb -0.12 -3.34 -0.01 0.00 0.52 0.00 0.00 34.95 32.00 3kvv s ARG 212 CO 0.14 0.38 -0.04 0.00 0.02 0.00 0.00 175.30 175.80 3kvv s ALA 213 N -0.24 0.29 0.25 2.13 0.00 -1.26 0.17 121.76 123.09 3kvv s ALA 213 Ca 0.31 -0.35 0.05 0.00 0.00 0.00 0.00 51.96 51.97 3kvv s ALA 213 Cb -0.18 0.00 -0.05 0.00 0.00 0.00 0.00 23.12 22.89 3kvv s ALA 213 CO 0.18 -0.00 -0.03 0.20 0.00 0.00 0.00 175.76 176.11 3kvv s GLY 214 N -0.67 1.64 -0.08 0.00 0.00 -0.25 -0.84 107.32 107.12 3kvv s GLY 214 Ca -0.05 -1.81 -0.03 0.00 0.00 0.00 0.00 44.72 42.83 3kvv s GLY 214 CO -0.00 -1.73 0.17 -0.29 0.00 0.00 0.00 173.10 171.25 3kvv s MET 215 N -3.81 0.07 0.01 2.90 1.75 -1.26 -1.27 119.30 117.69 3kvv s MET 215 Ca 0.28 0.52 0.00 0.00 -1.25 0.00 0.00 55.69 55.25 3kvv s MET 215 Cb 0.05 -0.21 -0.01 0.00 2.84 0.00 0.00 34.83 37.50 3kvv s MET 215 CO 0.09 -0.25 -0.03 0.54 -0.65 0.00 0.00 175.02 174.73 3kvv s VAL 216 N 1.91 0.15 0.06 10.11 0.11 -0.66 -1.51 120.40 130.57 3kvv s VAL 216 Ca -0.01 -0.44 -0.07 0.00 -2.93 0.00 0.00 61.98 58.52 3kvv s VAL 216 Cb -0.12 -0.20 -0.01 0.00 -1.53 0.00 0.00 36.38 34.53 3kvv s VAL 216 CO -0.06 -0.18 0.15 0.00 -3.33 0.00 0.00 175.10 171.67 3kvv s ALA 217 N -0.63 -0.16 -0.18 1.54 0.00 -0.54 -1.05 121.76 120.74 3kvv s ALA 217 Ca -0.06 -0.58 -0.09 0.00 0.00 0.00 0.00 51.96 51.23 3kvv s ALA 217 Cb -0.05 0.37 -0.05 0.00 0.00 0.00 0.00 23.12 23.39 3kvv s ALA 217 CO -0.00 -0.42 0.11 0.20 0.00 0.00 0.00 175.76 175.65 3kvv s GLY 218 N -2.53 2.02 -0.06 0.00 0.00 -0.49 -1.36 107.32 104.91 3kvv s GLY 218 Ca 0.01 -0.70 -0.30 0.00 0.00 0.00 0.00 44.72 43.73 3kvv s GLY 218 CO -0.08 0.02 1.36 0.14 0.00 0.00 0.00 173.10 174.54 3kvv s VAL 219 N 0.12 3.96 -0.22 1.40 1.01 -0.93 -1.00 120.40 124.74 3kvv s VAL 219 Ca 0.08 1.26 0.04 0.00 0.00 0.00 0.00 61.98 63.37 3kvv s VAL 219 Cb -0.11 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 3kvv s VAL 219 CO -0.01 -0.05 0.20 2.30 0.00 0.00 0.00 175.10 177.55 3kvv n ILE 220 N 4.96 0.00 -3.75 2.22 -5.35 -0.23 -1.42 119.36 115.79 3kvv n ILE 220 Ca 0.13 -0.41 -0.12 0.00 -0.27 0.00 0.00 62.75 62.09 3kvv n ILE 220 Cb 0.44 1.01 -0.07 0.00 -1.74 0.00 0.00 39.64 39.28 3kvv n ILE 220 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3kvv s VAL 221 N -1.34 0.08 -0.23 7.28 0.11 -1.22 -5.00 120.40 120.08 3kvv s VAL 221 Ca 0.02 -0.67 0.01 0.00 -2.93 0.00 0.00 61.98 58.41 3kvv s VAL 221 Cb 0.03 -0.93 0.03 0.00 -1.53 0.00 0.00 36.38 33.99 3kvv s VAL 221 CO 0.17 -0.37 -0.13 0.21 -3.33 0.00 0.00 175.10 171.65 3kvv s ASN 222 N -2.04 3.90 0.00 3.54 3.84 -1.26 -1.20 114.94 121.71 3kvv s ASN 222 Ca -0.05 -0.95 0.11 0.00 0.21 0.00 0.00 52.86 52.18 3kvv s ASN 222 Cb -0.01 -1.56 0.56 0.00 -0.55 0.00 0.00 41.25 39.70 3kvv s ASN 222 CO -0.03 -0.10 1.23 0.54 -2.79 0.00 0.00 177.10 175.95 3kvv n ARG 223 N 4.57 0.18 -0.06 0.43 5.12 0.31 -2.94 116.66 124.27 3kvv n ARG 223 Ca -0.17 0.16 -0.09 0.00 -1.93 0.00 0.00 57.85 55.82 3kvv n ARG 223 Cb 0.47 -1.50 -0.03 0.00 -1.16 0.00 0.00 32.46 30.23 3kvv n ARG 223 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 3kvv n THR 224 N -1.25 1.37 0.00 0.55 -2.24 -1.26 -5.05 114.28 106.39 3kvv n THR 224 Ca 0.06 0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 3kvv n THR 224 Cb 0.08 -2.07 0.00 0.00 -2.10 0.00 0.00 70.33 66.24 3kvv n THR 224 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kvv n GLN 225 N -4.14 0.00 0.09 -0.78 6.02 -1.15 -5.13 117.38 112.30 3kvv n GLN 225 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.83 3kvv n GLN 225 Cb 0.45 -0.29 0.00 0.00 1.02 0.00 0.00 30.24 31.42 3kvv n GLN 225 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 3kvv n GLU 238 N 0.00 0.00 0.22 -1.09 2.13 -1.26 -4.79 120.64 115.85 3kvv n GLU 238 Ca 0.00 0.00 0.17 0.00 0.66 0.00 0.00 57.16 57.99 3kvv n GLU 238 Cb 0.00 0.00 0.85 0.00 0.27 0.00 0.00 31.44 32.56 3kvv n GLU 238 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 3kvv h SER 239 N 0.00 0.00 0.04 4.31 0.02 -2.02 0.07 113.55 115.98 3kvv h SER 239 Ca 0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 3kvv h SER 239 Cb 0.00 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.55 3kvv h SER 239 CO 0.00 0.00 -0.24 -0.74 -1.14 0.00 0.00 176.83 174.71 3kvv h HIS 240 N 0.00 0.17 -0.08 3.45 2.76 -1.99 -2.39 115.15 117.07 3kvv h HIS 240 Ca 0.07 -0.12 0.01 0.00 -2.20 0.00 0.00 60.37 58.13 3kvv h HIS 240 Cb 0.40 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.34 3kvv h HIS 240 CO 0.00 1.06 0.02 0.00 -1.30 0.00 0.00 177.93 177.71 3kvv h ALA 241 N 0.06 0.08 -0.95 5.26 0.00 -1.83 -2.68 119.26 119.20 3kvv h ALA 241 Ca -0.04 0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.01 3kvv h ALA 241 Cb 1.16 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.89 3kvv h ALA 241 CO 0.05 -0.45 0.61 0.28 0.00 0.00 0.00 179.25 179.73 3kvv h VAL 242 N 0.05 0.90 -0.64 0.00 2.07 -1.08 -0.32 116.25 117.24 3kvv h VAL 242 Ca 0.03 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 3kvv h VAL 242 Cb 0.03 -0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 29.71 3kvv h VAL 242 CO -0.05 0.16 0.23 0.50 0.02 0.00 0.00 177.57 178.44 3kvv h LYS 243 N 0.88 0.97 -0.36 1.57 1.63 -1.12 -1.85 116.57 118.30 3kvv h LYS 243 Ca 0.47 -0.19 -0.07 0.00 -0.85 0.00 0.00 60.65 60.01 3kvv h LYS 243 Cb 0.55 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 32.02 3kvv h LYS 243 CO -0.23 0.84 -0.05 0.82 -3.45 0.00 0.00 179.45 177.37 3kvv h ILE 244 N 0.91 1.27 -0.40 2.00 2.04 -0.90 -2.61 117.51 119.82 3kvv h ILE 244 Ca 0.21 -1.09 -0.05 0.00 1.00 0.00 0.00 64.86 64.93 3kvv h ILE 244 Cb 0.25 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 3kvv h ILE 244 CO -0.01 0.36 0.05 1.62 0.00 0.00 0.00 178.15 180.16 3kvv h VAL 245 N 0.46 1.20 -0.39 1.67 3.04 -0.92 -0.61 116.25 120.71 3kvv h VAL 245 Ca 0.09 -0.77 -0.09 0.00 -1.01 0.00 0.00 66.70 64.93 3kvv h VAL 245 Cb 0.54 0.85 -0.01 0.00 -2.01 0.00 0.00 31.29 30.66 3kvv h VAL 245 CO 0.03 0.27 -0.12 0.58 -1.01 0.00 0.00 177.57 177.32 3kvv h VAL 246 N 0.59 1.28 -0.30 1.51 2.07 -1.28 -2.10 116.25 118.01 3kvv h VAL 246 Ca 0.13 -1.22 -0.08 0.00 0.82 0.00 0.00 66.70 66.35 3kvv h VAL 246 Cb 0.30 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 3kvv h VAL 246 CO 0.01 0.41 -0.17 -0.08 0.02 0.00 0.00 177.57 177.75 3kvv h GLU 247 N 0.57 0.53 -0.45 1.57 4.57 -1.07 -2.57 114.58 117.73 3kvv h GLU 247 Ca 0.10 -0.17 -0.06 0.00 -1.18 0.00 0.00 59.36 58.04 3kvv h GLU 247 Cb 0.65 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.18 3kvv h GLU 247 CO 0.04 0.68 0.04 0.00 -1.18 0.00 0.00 179.01 178.59 3kvv h ALA 248 N 1.35 0.60 -0.63 2.92 0.00 -1.05 -2.84 119.26 119.60 3kvv h ALA 248 Ca 0.08 -0.25 0.10 0.00 0.00 0.00 0.00 54.91 54.84 3kvv h ALA 248 Cb 0.57 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.12 3kvv h ALA 248 CO 0.04 0.36 0.25 0.00 0.00 0.00 0.00 179.25 179.90 3kvv h ALA 249 N 0.93 0.82 -0.64 0.00 0.00 -1.10 -1.53 119.26 117.75 3kvv h ALA 249 Ca 0.13 0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.21 3kvv h ALA 249 Cb 0.44 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.20 3kvv h ALA 249 CO 0.02 -0.17 0.29 0.00 0.00 0.00 0.00 179.25 179.38 3kvv h ARG 250 N 0.44 0.49 0.00 0.00 3.08 -1.26 -0.10 114.38 117.02 3kvv h ARG 250 Ca 0.32 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.34 3kvv h ARG 250 Cb 0.39 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3kvv h ARG 250 CO -0.30 0.33 0.00 0.54 -1.07 0.00 0.00 179.97 179.46 3kvv n ARG 251 N -4.92 0.19 0.00 0.04 1.74 -0.64 -2.82 116.66 110.25 3kvv n ARG 251 Ca 0.09 0.45 0.09 0.00 -0.77 0.00 0.00 57.85 57.72 3kvv n ARG 251 Cb 0.26 -1.89 -0.00 0.00 -1.02 0.00 0.00 32.46 29.80 3kvv n ARG 251 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3kvv n LEU 252 N -2.26 1.82 0.00 0.55 4.77 -0.10 -5.05 117.00 116.73 3kvv n LEU 252 Ca 0.02 -0.77 0.06 0.00 -0.03 0.00 0.00 56.01 55.29 3kvv n LEU 252 Cb 0.21 0.00 0.36 0.00 -2.33 0.00 0.00 43.42 41.66 3kvv n LEU 252 CO 0.19 0.34 0.58 0.18 -1.33 0.00 0.00 177.39 177.34