#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 0.49 -4.21 -3.46 8.00 0.36 -4.87 116.55 112.85 3kvv n ASP 5 Ca 0.00 0.57 -0.15 0.00 0.71 0.00 0.00 54.79 55.92 3kvv n ASP 5 Cb 0.00 -0.69 -0.10 0.00 -0.02 0.00 0.00 41.12 40.31 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 -3.11 1.08 0.24 2.53 -7.23 -1.24 -5.06 120.40 107.62 3kvv s VAL 6 Ca 0.10 -1.83 0.04 0.00 -1.81 0.00 0.00 61.98 58.47 3kvv s VAL 6 Cb 0.13 -1.59 -0.02 0.00 0.56 0.00 0.00 36.38 35.46 3kvv s VAL 6 CO 0.50 -0.62 1.59 0.15 -0.31 0.00 0.00 175.10 176.40 3kvv h PHE 7 N 3.22 0.37 0.00 2.82 3.57 -1.95 -3.38 116.94 121.60 3kvv h PHE 7 Ca -0.37 -0.13 -0.20 0.00 3.53 0.00 0.00 57.97 60.80 3kvv h PHE 7 Cb 1.19 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.83 3kvv h PHE 7 CO 0.64 0.78 -1.69 0.72 -2.23 0.00 0.00 178.31 176.52 3kvv n HIS 8 N -3.93 0.00 0.24 0.41 8.25 -1.26 -4.76 115.22 114.17 3kvv n HIS 8 Ca -0.02 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.56 3kvv n HIS 8 Cb 0.58 -0.45 0.58 0.00 1.12 0.00 0.00 29.99 31.82 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 -0.26 0.00 -1.81 2.41 3.38 -1.93 -3.44 115.31 113.66 3kvv h LEU 9 Ca -0.30 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.43 3kvv h LEU 9 Cb 1.34 0.00 0.13 0.00 0.09 0.00 0.00 40.66 42.22 3kvv h LEU 9 CO -0.13 0.16 -0.59 0.61 0.09 0.00 0.00 178.44 178.58 3kvv n GLY 10 N -0.10 -0.21 3.05 0.83 0.00 -1.26 -4.70 105.19 102.80 3kvv n GLY 10 Ca -0.00 -0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -5.26 2.34 0.34 0.99 1.43 -1.26 -4.80 118.68 112.46 3kvv s LEU 11 Ca 0.03 -0.70 0.09 0.00 -1.03 0.00 0.00 54.13 52.52 3kvv s LEU 11 Cb -0.00 0.04 -0.05 0.00 0.03 0.00 0.00 46.19 46.20 3kvv s LEU 11 CO 0.55 -0.37 0.01 0.42 0.23 0.00 0.00 176.35 177.20 3kvv s THR 12 N -2.31 2.58 0.34 5.49 -4.23 -1.26 -0.49 115.64 115.76 3kvv s THR 12 Ca -0.05 -1.97 0.01 0.00 -1.18 0.00 0.00 61.69 58.50 3kvv s THR 12 Cb -0.04 -2.80 0.25 0.00 1.34 0.00 0.00 72.50 71.25 3kvv s THR 12 CO -0.03 -0.19 1.98 0.50 -0.54 0.00 0.00 174.62 176.34 3kvv h LYS 13 N 1.80 0.85 -0.58 3.99 3.64 -1.95 -1.74 116.57 122.58 3kvv h LYS 13 Ca -0.43 -0.07 0.03 0.00 -1.27 0.00 0.00 60.65 58.91 3kvv h LYS 13 Cb 1.25 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.86 3kvv h LYS 13 CO 0.67 0.59 0.38 -0.91 -2.27 0.00 0.00 179.45 177.92 3kvv h ASN 14 N 0.86 0.59 -0.23 4.20 2.35 -1.96 -1.99 115.58 119.41 3kvv h ASN 14 Ca 0.23 -0.01 0.07 0.00 -0.55 0.00 0.00 56.30 56.04 3kvv h ASN 14 Cb -0.04 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 3kvv h ASN 14 CO -0.04 0.41 0.18 0.44 -1.65 0.00 0.00 177.43 176.77 3kvv h ASP 15 N 0.69 0.00 0.86 5.81 3.32 -1.72 -2.21 116.42 123.18 3kvv h ASP 15 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3kvv h ASP 15 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3kvv h ASP 15 CO -0.06 0.00 -0.24 0.18 -1.72 0.00 0.00 179.24 177.40 3kvv n LEU 16 N -4.30 0.33 -3.50 1.55 4.77 -0.75 -4.94 117.00 110.16 3kvv n LEU 16 Ca 0.03 0.31 -0.25 0.00 -0.03 0.00 0.00 56.01 56.06 3kvv n LEU 16 Cb 0.33 -0.36 -0.00 0.00 -2.33 0.00 0.00 43.42 41.05 3kvv n LEU 16 CO 0.33 0.02 -0.02 0.00 -1.33 0.00 0.00 177.39 176.39 3kvv n GLN 17 N -1.65 -3.53 -0.60 3.23 6.02 -0.83 -1.15 117.38 118.87 3kvv n GLN 17 Ca 0.06 0.47 0.00 0.00 -0.01 0.00 0.00 57.00 57.52 3kvv n GLN 17 Cb 0.36 -5.20 0.00 0.00 1.02 0.00 0.00 30.24 26.42 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 -1.24 0.75 3.74 1.08 0.00 -1.26 -4.80 105.19 103.46 3kvv n GLY 18 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3kvv n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kvv n ALA 19 N -0.20 1.80 -0.14 4.61 0.00 -0.30 -4.92 120.51 121.35 3kvv n ALA 19 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.75 3kvv n ALA 19 Cb 0.00 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.11 3kvv n ALA 19 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3kvv n THR 20 N 0.12 0.05 -4.72 0.00 -2.24 -1.26 -4.29 114.28 101.94 3kvv n THR 20 Ca 0.04 -0.45 -0.25 0.00 -2.27 0.00 0.00 64.05 61.12 3kvv n THR 20 Cb 0.39 1.11 -0.16 0.00 -2.10 0.00 0.00 70.33 69.57 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 -0.05 1.81 -0.02 3.22 0.20 -1.26 -0.36 118.68 122.22 3kvv s LEU 21 Ca 0.00 -0.33 0.07 0.00 0.69 0.00 0.00 54.13 54.56 3kvv s LEU 21 Cb 0.00 -0.90 -0.02 0.00 -0.43 0.00 0.00 46.19 44.85 3kvv s LEU 21 CO 0.00 0.10 -0.24 0.00 -0.29 0.00 0.00 176.35 175.92 3kvv s ALA 22 N 0.31 1.99 -0.19 5.97 0.00 -0.05 -1.93 121.76 127.86 3kvv s ALA 22 Ca -0.09 -1.02 -0.14 0.00 0.00 0.00 0.00 51.96 50.72 3kvv s ALA 22 Cb -0.13 -0.53 -0.04 0.00 0.00 0.00 0.00 23.12 22.42 3kvv s ALA 22 CO 0.03 0.47 0.30 0.42 0.00 0.00 0.00 175.76 176.98 3kvv s ILE 23 N -0.48 5.28 -0.50 0.00 1.01 0.48 -0.92 121.20 126.07 3kvv s ILE 23 Ca 0.07 0.53 0.03 0.00 0.00 0.00 0.00 60.65 61.28 3kvv s ILE 23 Cb -0.10 -3.64 0.14 0.00 0.01 0.00 0.00 42.46 38.87 3kvv s ILE 23 CO -0.00 0.34 0.27 0.68 0.00 0.00 0.00 174.94 176.23 3kvv s VAL 24 N 0.83 2.06 0.72 2.92 -7.23 0.23 -1.35 120.40 118.58 3kvv s VAL 24 Ca 0.16 -3.06 -0.11 0.00 -1.81 0.00 0.00 61.98 57.15 3kvv s VAL 24 Cb -0.14 -2.42 0.03 0.00 0.56 0.00 0.00 36.38 34.41 3kvv s VAL 24 CO 0.05 -0.87 1.08 -2.16 -0.31 0.00 0.00 175.10 172.89 3kvv s PRO 25 N -0.11 2.70 0.07 4.82 0.04 -1.24 -3.41 135.00 137.87 3kvv s PRO 25 Ca 0.18 0.71 -0.09 0.00 0.04 0.00 0.00 61.00 61.85 3kvv s PRO 25 Cb -0.23 -1.98 -0.29 0.00 0.04 0.00 0.00 34.50 32.04 3kvv s PRO 25 CO -0.02 -1.20 1.11 0.78 0.04 0.00 0.00 177.00 177.71 3kvv h GLY 26 N -0.79 0.46 -6.71 0.56 0.00 -1.85 -0.79 103.07 93.96 3kvv h GLY 26 Ca -0.45 -1.10 -0.61 0.00 0.00 0.00 0.00 47.33 45.16 3kvv h GLY 26 CO 0.60 0.97 -0.09 -0.35 0.00 0.00 0.00 176.54 177.66 3kvv s ASP 27 N -7.30 6.43 0.51 0.19 2.15 -1.26 -1.68 116.67 115.70 3kvv s ASP 27 Ca -0.06 0.51 0.26 0.00 0.43 0.00 0.00 52.55 53.69 3kvv s ASP 27 Cb 0.06 -2.26 1.36 0.00 -0.30 0.00 0.00 42.92 41.78 3kvv s ASP 27 CO 0.91 -0.21 1.93 -0.65 -0.17 0.00 0.00 175.17 176.98 3kvv h PRO 28 N 7.82 0.09 0.00 4.34 0.11 -1.88 -0.32 132.00 142.16 3kvv h PRO 28 Ca -0.32 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3kvv h PRO 28 Cb 1.15 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3kvv h PRO 28 CO 0.71 0.06 0.00 -0.44 -0.21 0.00 0.00 178.00 178.11 3kvv h ASP 29 N 0.09 0.00 1.15 -2.05 5.19 -1.97 -2.92 116.42 115.90 3kvv h ASP 29 Ca 0.36 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.77 3kvv h ASP 29 Cb 1.29 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.80 3kvv h ASP 29 CO -0.04 0.00 -0.18 -1.14 -3.12 0.00 0.00 179.24 174.76 3kvv n ARG 30 N -2.71 0.18 0.04 3.56 0.63 -0.13 -4.28 116.66 113.95 3kvv n ARG 30 Ca 0.03 0.12 -0.13 0.00 -0.92 0.00 0.00 57.85 56.95 3kvv n ARG 30 Cb 0.37 -1.68 -0.08 0.00 0.45 0.00 0.00 32.46 31.52 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 0.00 1.09 -0.12 5.15 2.07 -1.59 -2.02 116.25 120.83 3kvv h VAL 31 Ca 0.00 -0.42 -0.05 0.00 0.82 0.00 0.00 66.70 67.06 3kvv h VAL 31 Cb 0.66 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 3kvv h VAL 31 CO 0.00 0.11 -0.14 -0.08 0.02 0.00 0.00 177.57 177.47 3kvv h GLU 32 N -0.24 0.19 -0.57 1.57 4.81 -1.79 -0.88 114.58 117.67 3kvv h GLU 32 Ca -0.01 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.13 3kvv h GLU 32 Cb 0.22 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 3kvv h GLU 32 CO 0.01 0.34 0.17 0.87 -0.73 0.00 0.00 179.01 179.66 3kvv h LYS 33 N 0.18 0.89 -0.13 1.92 1.57 -1.70 -0.43 116.57 118.87 3kvv h LYS 33 Ca 0.04 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 3kvv h LYS 33 Cb 0.37 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 3kvv h LYS 33 CO 0.02 0.81 -0.04 0.82 -0.57 0.00 0.00 179.45 180.49 3kvv h ILE 34 N 0.80 1.30 -0.50 1.86 2.04 -0.95 -3.18 117.51 118.89 3kvv h ILE 34 Ca 0.18 -1.02 0.04 0.00 1.00 0.00 0.00 64.86 65.06 3kvv h ILE 34 Cb 0.30 1.71 -0.03 0.00 -0.74 0.00 0.00 36.82 38.07 3kvv h ILE 34 CO -0.00 0.29 0.33 0.00 0.00 0.00 0.00 178.15 178.77 3kvv h ALA 35 N 0.68 1.80 0.00 1.87 0.00 -1.07 -2.05 119.26 120.49 3kvv h ALA 35 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3kvv h ALA 35 Cb 0.48 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3kvv h ALA 35 CO 0.01 0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.41 3kvv n ALA 36 N -2.48 1.67 1.28 0.00 0.00 -0.18 -1.44 120.51 119.36 3kvv n ALA 36 Ca 0.06 -0.03 0.14 0.00 0.00 0.00 0.00 53.44 53.61 3kvv n ALA 36 Cb 0.17 -1.26 0.64 0.00 0.00 0.00 0.00 19.45 19.00 3kvv n ALA 36 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3kvv n LEU 37 N -1.59 0.19 0.00 0.00 7.99 -0.77 -4.92 117.00 117.90 3kvv n LEU 37 Ca 0.03 0.23 -0.19 0.00 -0.01 0.00 0.00 56.01 56.07 3kvv n LEU 37 Cb 0.18 -0.30 -0.03 0.00 -0.11 0.00 0.00 43.42 43.16 3kvv n LEU 37 CO 0.14 0.04 -0.09 0.23 -1.51 0.00 0.00 177.39 176.20 3kvv n MET 38 N -1.25 1.14 -3.24 3.23 2.81 -0.52 -5.12 117.12 114.16 3kvv n MET 38 Ca 0.12 -2.29 -0.32 0.00 -1.81 0.00 0.00 57.70 53.40 3kvv n MET 38 Cb 0.28 0.50 -0.05 0.00 -0.71 0.00 0.00 33.22 33.24 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 -2.86 6.64 -1.49 7.83 1.01 0.14 -4.46 116.67 123.48 3kvv s ASP 39 Ca 0.06 1.05 -0.02 0.00 0.71 0.00 0.00 52.55 54.35 3kvv s ASP 39 Cb -0.01 -2.28 0.02 0.00 1.01 0.00 0.00 42.92 41.66 3kvv s ASP 39 CO 0.04 -0.17 0.30 0.29 0.21 0.00 0.00 175.17 175.84 3kvv n LYS 40 N -0.44 -2.41 -2.07 8.23 5.02 -1.26 0.34 118.16 125.57 3kvv n LYS 40 Ca 0.02 0.29 -0.42 0.00 -2.02 0.00 0.00 58.31 56.18 3kvv n LYS 40 Cb 0.53 -4.25 -0.03 0.00 -0.02 0.00 0.00 35.03 31.27 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 -6.89 4.29 -0.00 1.97 0.04 -1.26 -4.48 135.00 128.68 3kvv s PRO 41 Ca 0.07 2.22 0.01 0.00 0.04 0.00 0.00 61.00 63.34 3kvv s PRO 41 Cb -0.04 -3.16 -0.00 0.00 0.04 0.00 0.00 34.50 31.34 3kvv s PRO 41 CO 0.93 -0.42 -0.02 0.54 0.04 0.00 0.00 177.00 178.07 3kvv s VAL 42 N 0.39 0.18 -0.05 -0.36 0.11 0.10 -4.99 120.40 115.78 3kvv s VAL 42 Ca 0.61 -0.15 -0.30 0.00 -2.93 0.00 0.00 61.98 59.22 3kvv s VAL 42 Cb -0.40 -0.17 -0.03 0.00 -1.53 0.00 0.00 36.38 34.25 3kvv s VAL 42 CO 0.38 0.02 1.19 -0.75 -3.33 0.00 0.00 175.10 172.61 3kvv s LYS 43 N -0.13 4.36 -0.20 1.54 2.20 -1.26 -0.14 119.74 126.11 3kvv s LYS 43 Ca 0.00 1.66 -0.07 0.00 -0.36 0.00 0.00 55.97 57.20 3kvv s LYS 43 Cb -0.01 -3.55 -0.21 0.00 -1.51 0.00 0.00 37.83 32.55 3kvv s LYS 43 CO -0.00 -0.43 0.07 1.28 -0.36 0.00 0.00 175.35 175.90 3kvv n LEU 44 N 5.15 2.56 -3.55 5.43 4.77 0.72 -4.92 117.00 127.16 3kvv n LEU 44 Ca 0.11 0.14 -0.07 0.00 -0.03 0.00 0.00 56.01 56.15 3kvv n LEU 44 Cb 0.46 -1.00 -0.02 0.00 -2.33 0.00 0.00 43.42 40.54 3kvv n LEU 44 CO 0.55 0.77 0.70 0.00 -1.33 0.00 0.00 177.39 178.09 3kvv s ALA 45 N -2.51 -1.81 -0.21 -1.18 0.00 -0.95 -5.01 121.76 110.10 3kvv s ALA 45 Ca -0.29 0.88 -0.04 0.00 0.00 0.00 0.00 51.96 52.51 3kvv s ALA 45 Cb 0.08 0.44 0.11 0.00 0.00 0.00 0.00 23.12 23.75 3kvv s ALA 45 CO 0.66 -0.75 0.35 0.45 0.00 0.00 0.00 175.76 176.47 3kvv s SER 46 N -2.55 0.28 -0.04 0.00 0.15 -1.26 -0.73 113.70 109.56 3kvv s SER 46 Ca 0.06 0.43 -0.02 0.00 0.70 0.00 0.00 55.95 57.12 3kvv s SER 46 Cb -0.01 1.01 0.03 0.00 -1.71 0.00 0.00 66.02 65.33 3kvv s SER 46 CO -0.07 -0.28 0.08 -1.00 1.20 0.00 0.00 173.24 173.17 3kvv s HIS 47 N 2.51 -0.06 0.00 3.44 3.76 -0.44 -4.99 115.29 119.51 3kvv s HIS 47 Ca 0.06 0.26 0.00 0.00 -0.15 0.00 0.00 55.06 55.23 3kvv s HIS 47 Cb -0.14 -0.11 0.00 0.00 1.11 0.00 0.00 32.58 33.44 3kvv s HIS 47 CO -0.13 -0.10 0.00 0.54 -0.85 0.00 0.00 174.74 174.20 3kvv n ARG 48 N 3.85 0.00 -0.26 1.40 1.74 -1.26 -0.28 116.66 121.85 3kvv n ARG 48 Ca -0.23 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 56.90 3kvv n ARG 48 Cb 0.53 0.00 0.16 0.00 -1.02 0.00 0.00 32.46 32.14 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 2.16 -3.55 5.56 0.00 -1.26 -4.74 120.64 132.81 3kvv n GLU 49 Ca 0.00 -1.30 -0.41 0.00 0.00 0.00 0.00 57.16 55.45 3kvv n GLU 49 Cb 0.00 -1.49 -0.08 0.00 0.00 0.00 0.00 31.44 29.88 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 -1.65 3.47 -0.19 -1.84 0.40 0.62 -3.92 117.98 114.87 3kvv s PHE 50 Ca 0.23 -2.02 -0.06 0.00 -0.60 0.00 0.00 56.93 54.48 3kvv s PHE 50 Cb 0.14 -3.50 -0.03 0.00 0.51 0.00 0.00 43.02 40.15 3kvv s PHE 50 CO 0.12 -0.97 0.03 0.99 0.70 0.00 0.00 175.22 176.10 3kvv s THR 51 N 0.98 4.40 -0.10 0.64 2.01 -1.26 -1.33 115.64 120.98 3kvv s THR 51 Ca 0.09 -0.17 0.02 0.00 0.31 0.00 0.00 61.69 61.94 3kvv s THR 51 Cb -0.23 -2.99 0.01 0.00 0.01 0.00 0.00 72.50 69.31 3kvv s THR 51 CO -0.02 0.44 -0.14 -0.89 -0.69 0.00 0.00 174.62 173.32 3kvv s THR 52 N 0.67 1.37 0.19 -0.82 2.01 0.10 -1.88 115.64 117.27 3kvv s THR 52 Ca 0.02 -0.57 0.11 0.00 0.31 0.00 0.00 61.69 61.55 3kvv s THR 52 Cb -0.14 -1.26 -0.04 0.00 0.01 0.00 0.00 72.50 71.07 3kvv s THR 52 CO 0.02 0.41 -0.21 0.26 -0.69 0.00 0.00 174.62 174.42 3kvv s TRP 53 N 0.96 2.39 0.04 4.92 0.52 0.25 -0.20 118.94 127.82 3kvv s TRP 53 Ca -0.08 -0.32 0.08 0.00 0.02 0.00 0.00 56.10 55.80 3kvv s TRP 53 Cb -0.15 -1.19 -0.03 0.00 -1.15 0.00 0.00 33.47 30.96 3kvv s TRP 53 CO -0.01 0.49 -0.23 0.50 0.02 0.00 0.00 176.95 177.73 3kvv s ARG 54 N -2.67 1.93 0.36 4.98 3.52 0.80 -0.80 118.95 127.07 3kvv s ARG 54 Ca 0.21 -1.05 -0.03 0.00 -0.13 0.00 0.00 55.73 54.73 3kvv s ARG 54 Cb -0.08 -2.07 0.01 0.00 -1.56 0.00 0.00 34.95 31.25 3kvv s ARG 54 CO 0.11 0.53 0.51 0.00 -0.81 0.00 0.00 175.30 175.64 3kvv s ALA 55 N -0.84 0.66 -0.09 6.12 0.00 -0.47 0.01 121.76 127.15 3kvv s ALA 55 Ca 0.13 -1.47 0.04 0.00 0.00 0.00 0.00 51.96 50.66 3kvv s ALA 55 Cb -0.10 1.10 0.00 0.00 0.00 0.00 0.00 23.12 24.12 3kvv s ALA 55 CO 0.03 -0.81 -0.22 -2.00 0.00 0.00 0.00 175.76 172.75 3kvv s GLU 56 N -2.90 2.81 -0.16 0.00 2.12 0.15 -0.21 118.70 120.51 3kvv s GLU 56 Ca 0.29 -0.82 0.01 0.00 0.36 0.00 0.00 54.97 54.81 3kvv s GLU 56 Cb -0.01 -2.16 0.03 0.00 0.26 0.00 0.00 34.13 32.24 3kvv s GLU 56 CO 0.20 0.18 -0.14 -1.17 -0.54 0.00 0.00 175.26 173.79 3kvv s LEU 57 N 0.33 1.85 -1.67 2.70 2.96 0.96 -0.68 118.68 125.12 3kvv s LEU 57 Ca -0.17 -0.57 -0.16 0.00 -0.22 0.00 0.00 54.13 53.01 3kvv s LEU 57 Cb -0.17 -1.23 0.14 0.00 0.50 0.00 0.00 46.19 45.42 3kvv s LEU 57 CO 0.08 -0.06 0.74 0.47 -1.32 0.00 0.00 176.35 176.26 3kvv n ASP 58 N 4.74 -2.95 0.00 3.68 10.43 -1.26 -0.66 116.55 130.52 3kvv n ASP 58 Ca -0.17 -1.01 0.00 0.00 2.57 0.00 0.00 54.79 56.18 3kvv n ASP 58 Cb 0.49 -2.79 0.00 0.00 1.84 0.00 0.00 41.12 40.67 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 -1.49 1.39 3.63 0.44 0.00 -1.26 -5.02 105.19 102.88 3kvv n GLY 59 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.07 3.22 0.33 1.61 -0.14 0.16 -5.06 119.74 119.79 3kvv s LYS 60 Ca 0.00 -0.44 -0.29 0.00 -1.36 0.00 0.00 55.97 53.89 3kvv s LYS 60 Cb 0.00 -2.85 -0.10 0.00 -1.68 0.00 0.00 37.83 33.20 3kvv s LYS 60 CO 0.00 0.56 1.37 -1.25 -0.76 0.00 0.00 175.35 175.27 3kvv s PRO 61 N -0.48 4.28 0.04 -1.68 0.04 -1.26 -0.03 135.00 135.91 3kvv s PRO 61 Ca 0.08 2.32 0.03 0.00 0.04 0.00 0.00 61.00 63.47 3kvv s PRO 61 Cb -0.12 -3.05 -0.02 0.00 0.04 0.00 0.00 34.50 31.35 3kvv s PRO 61 CO 0.02 -0.31 -0.09 0.08 0.04 0.00 0.00 177.00 176.74 3kvv s VAL 62 N -0.93 0.65 0.00 -0.36 1.01 0.70 -4.47 120.40 117.00 3kvv s VAL 62 Ca 0.52 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 61.55 3kvv s VAL 62 Cb -0.42 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 3kvv s VAL 62 CO 0.54 -0.24 -0.00 -0.63 0.00 0.00 0.00 175.10 174.76 3kvv s ILE 63 N -1.12 4.12 -0.13 2.22 -1.09 -0.81 -1.37 121.20 123.02 3kvv s ILE 63 Ca -0.06 -0.63 0.01 0.00 -2.23 0.00 0.00 60.65 57.75 3kvv s ILE 63 Cb -0.09 -2.84 0.02 0.00 -1.58 0.00 0.00 42.46 37.97 3kvv s ILE 63 CO 0.01 0.37 -0.16 -0.69 -1.23 0.00 0.00 174.94 173.23 3kvv s VAL 64 N -1.09 1.62 -0.06 2.92 1.01 0.02 -0.39 120.40 124.43 3kvv s VAL 64 Ca 0.20 -0.70 -0.03 0.00 0.00 0.00 0.00 61.98 61.45 3kvv s VAL 64 Cb -0.11 -1.48 0.04 0.00 0.00 0.00 0.00 36.38 34.82 3kvv s VAL 64 CO 0.10 0.47 0.12 0.00 0.00 0.00 0.00 175.10 175.79 3kvv s SER 66 N 1.75 6.43 -0.03 0.00 1.04 -0.79 -3.64 113.70 118.47 3kvv s SER 66 Ca -0.02 1.85 0.20 0.00 0.48 0.00 0.00 55.95 58.46 3kvv s SER 66 Cb -0.12 -2.55 -0.31 0.00 0.10 0.00 0.00 66.02 63.14 3kvv s SER 66 CO -0.05 -0.72 0.47 0.35 0.98 0.00 0.00 173.24 174.27 3kvv n THR 67 N -1.03 0.00 -0.38 2.02 -2.24 -0.30 -4.44 114.28 107.90 3kvv n THR 67 Ca 0.09 -0.44 0.05 0.00 -2.27 0.00 0.00 64.05 61.48 3kvv n THR 67 Cb 0.53 0.10 -0.01 0.00 -2.10 0.00 0.00 70.33 68.84 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 1.35 -2.18 3.70 3.38 0.00 -0.68 -3.24 105.19 107.53 3kvv n GLY 68 Ca -0.03 -1.44 -0.41 0.00 0.00 0.00 0.00 46.02 44.13 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 -1.30 4.92 0.00 -0.61 1.01 -1.26 -4.71 121.20 119.25 3kvv s ILE 69 Ca 0.00 1.77 0.00 0.00 0.00 0.00 0.00 60.65 62.42 3kvv s ILE 69 Cb 0.00 -4.19 0.00 0.00 0.01 0.00 0.00 42.46 38.28 3kvv s ILE 69 CO 0.00 0.15 0.00 0.61 0.00 0.00 0.00 174.94 175.70 3kvv n GLY 70 N 3.09 2.48 0.31 6.18 0.00 -1.25 -4.58 105.19 111.41 3kvv n GLY 70 Ca 0.03 -1.83 0.06 0.00 0.00 0.00 0.00 46.02 44.28 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 1.36 0.92 -0.02 0.00 -1.85 -2.06 103.07 101.40 3kvv h GLY 71 Ca 0.00 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.05 3kvv h GLY 71 CO 0.00 0.02 -0.03 -2.55 0.00 0.00 0.00 176.54 173.98 3kvv h PRO 72 N 0.69 -0.09 -0.28 4.80 0.11 -1.94 0.40 132.00 135.69 3kvv h PRO 72 Ca 0.44 0.01 -0.11 0.00 0.11 0.00 0.00 66.00 66.45 3kvv h PRO 72 Cb 0.56 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.67 3kvv h PRO 72 CO -0.32 0.02 -0.30 0.66 -0.21 0.00 0.00 178.00 177.85 3kvv h SER 73 N -0.18 0.59 -0.63 -2.05 4.64 -1.79 -2.39 113.55 111.74 3kvv h SER 73 Ca -0.01 -0.22 0.04 0.00 -0.47 0.00 0.00 61.79 61.12 3kvv h SER 73 Cb 0.15 -0.16 -0.04 0.00 -0.31 0.00 0.00 62.40 62.03 3kvv h SER 73 CO 0.02 0.86 0.38 0.74 -0.87 0.00 0.00 176.83 177.95 3kvv h THR 74 N 0.50 1.04 -0.26 2.95 2.02 -1.11 -2.05 112.91 116.00 3kvv h THR 74 Ca 0.06 -0.25 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 3kvv h THR 74 Cb 0.77 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 3kvv h THR 74 CO 0.06 0.13 0.01 0.77 0.37 0.00 0.00 175.52 176.86 3kvv h SER 75 N 0.72 0.34 -0.01 4.18 4.64 0.29 -0.82 113.55 122.89 3kvv h SER 75 Ca 0.27 -0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.53 3kvv h SER 75 Cb 0.08 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.08 3kvv h SER 75 CO -0.13 0.40 -0.02 0.40 -0.87 0.00 0.00 176.83 176.61 3kvv h ILE 76 N 0.37 1.43 -0.25 0.95 2.04 -1.09 -2.13 117.51 118.83 3kvv h ILE 76 Ca 0.09 -1.31 0.02 0.00 1.00 0.00 0.00 64.86 64.65 3kvv h ILE 76 Cb 0.23 2.29 -0.02 0.00 -0.74 0.00 0.00 36.82 38.58 3kvv h ILE 76 CO 0.00 0.35 0.11 0.00 0.00 0.00 0.00 178.15 178.61 3kvv h ALA 77 N 0.46 0.29 -0.23 1.87 0.00 -1.03 -0.87 119.26 119.75 3kvv h ALA 77 Ca 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3kvv h ALA 77 Cb 0.58 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3kvv h ALA 77 CO 0.01 -0.30 0.07 0.28 0.00 0.00 0.00 179.25 179.30 3kvv h VAL 78 N 0.23 1.20 -0.42 0.00 2.07 -1.23 -0.53 116.25 117.57 3kvv h VAL 78 Ca 0.11 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 67.00 3kvv h VAL 78 Cb 0.05 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 3kvv h VAL 78 CO -0.09 0.20 0.27 -0.08 0.02 0.00 0.00 177.57 177.89 3kvv h GLU 79 N 0.19 0.56 -0.15 1.57 4.57 -1.24 0.82 114.58 120.90 3kvv h GLU 79 Ca 0.07 -0.04 -0.15 0.00 -1.18 0.00 0.00 59.36 58.06 3kvv h GLU 79 Cb 0.25 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 3kvv h GLU 79 CO -0.00 0.38 -0.55 0.93 -1.18 0.00 0.00 179.01 178.59 3kvv h GLU 80 N 0.57 0.44 -0.55 1.92 5.08 -1.04 -0.66 114.58 120.35 3kvv h GLU 80 Ca 0.15 -0.28 -0.08 0.00 -1.00 0.00 0.00 59.36 58.15 3kvv h GLU 80 Cb -0.05 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 3kvv h GLU 80 CO -0.03 0.88 0.01 -0.07 -1.00 0.00 0.00 179.01 178.80 3kvv h LEU 81 N 0.34 0.89 -0.84 1.33 3.38 -0.97 -2.37 115.31 117.07 3kvv h LEU 81 Ca 0.00 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 3kvv h LEU 81 Cb 1.07 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 3kvv h LEU 81 CO 0.10 0.95 0.31 0.00 0.09 0.00 0.00 178.44 179.88 3kvv h ALA 82 N 1.15 1.07 -0.07 1.53 0.00 -0.45 -0.77 119.26 121.72 3kvv h ALA 82 Ca 0.16 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3kvv h ALA 82 Cb 0.49 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3kvv h ALA 82 CO 0.02 0.66 -0.03 1.96 0.00 0.00 0.00 179.25 181.86 3kvv h GLN 83 N 1.13 0.10 -0.10 0.00 4.20 -0.91 -2.19 115.11 117.34 3kvv h GLN 83 Ca 0.26 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.96 3kvv h GLN 83 Cb 0.22 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.98 3kvv h GLN 83 CO -0.02 0.14 0.00 1.28 -0.67 0.00 0.00 178.83 179.56 3kvv n LEU 84 N -4.44 1.36 0.00 1.46 4.77 -0.64 -4.92 117.00 114.59 3kvv n LEU 84 Ca -0.02 -0.53 0.00 0.00 -0.03 0.00 0.00 56.01 55.43 3kvv n LEU 84 Cb 0.15 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 3kvv n LEU 84 CO 0.35 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 3kvv n GLY 85 N 1.10 0.72 3.74 -0.72 0.00 -0.78 -4.81 105.19 104.43 3kvv n GLY 85 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 3.22 0.00 -0.61 -1.09 -0.39 -4.52 121.20 115.81 3kvv s ILE 86 Ca 0.00 1.02 0.00 0.00 -2.23 0.00 0.00 60.65 59.44 3kvv s ILE 86 Cb 0.00 -3.65 0.00 0.00 -1.58 0.00 0.00 42.46 37.23 3kvv s ILE 86 CO 0.00 0.16 0.00 0.54 -1.23 0.00 0.00 174.94 174.41 3kvv n ARG 87 N 2.44 2.93 -4.55 2.79 5.12 0.52 -4.24 116.66 121.68 3kvv n ARG 87 Ca 0.05 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.73 3kvv n ARG 87 Cb 0.43 -0.71 -0.17 0.00 -1.16 0.00 0.00 32.46 30.85 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 -1.32 1.10 -0.13 0.55 2.01 -0.86 -0.76 115.64 116.23 3kvv s THR 88 Ca 0.00 -0.45 0.01 0.00 0.31 0.00 0.00 61.69 61.55 3kvv s THR 88 Cb 0.00 -1.01 0.02 0.00 0.01 0.00 0.00 72.50 71.52 3kvv s THR 88 CO 0.00 0.35 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.79 3kvv s PHE 89 N 0.70 1.94 -0.29 4.92 0.40 0.73 -0.87 117.98 125.51 3kvv s PHE 89 Ca -0.14 -1.02 -0.03 0.00 -0.60 0.00 0.00 56.93 55.14 3kvv s PHE 89 Cb -0.16 -1.45 0.04 0.00 0.51 0.00 0.00 43.02 41.95 3kvv s PHE 89 CO 0.03 -0.57 0.01 -0.51 0.70 0.00 0.00 175.22 174.88 3kvv s LEU 90 N 1.39 3.75 0.04 -0.37 1.43 -0.10 -1.55 118.68 123.27 3kvv s LEU 90 Ca 0.02 -1.07 -0.26 0.00 -1.03 0.00 0.00 54.13 51.79 3kvv s LEU 90 Cb -0.13 -1.74 -0.05 0.00 0.03 0.00 0.00 46.19 44.29 3kvv s LEU 90 CO -0.07 -0.22 0.79 -0.60 0.23 0.00 0.00 176.35 176.47 3kvv s ARG 91 N 1.33 4.51 -0.16 1.70 3.52 -0.29 -0.60 118.95 128.96 3kvv s ARG 91 Ca -0.02 1.11 0.01 0.00 -0.13 0.00 0.00 55.73 56.69 3kvv s ARG 91 Cb -0.18 -3.38 0.02 0.00 -1.56 0.00 0.00 34.95 29.85 3kvv s ARG 91 CO -0.01 0.23 -0.17 -1.50 -0.81 0.00 0.00 175.30 173.05 3kvv s ILE 92 N 0.10 1.78 0.15 4.11 -1.16 -1.22 -1.46 121.20 123.50 3kvv s ILE 92 Ca 0.40 -0.77 0.02 0.00 -0.51 0.00 0.00 60.65 59.79 3kvv s ILE 92 Cb -0.21 -1.64 -0.01 0.00 0.61 0.00 0.00 42.46 41.22 3kvv s ILE 92 CO 0.23 0.49 0.09 0.61 -2.81 0.00 0.00 174.94 173.56 3kvv n GLY 93 N 4.63 3.67 3.38 1.50 0.00 -0.14 -3.94 105.19 114.30 3kvv n GLY 93 Ca -0.19 -1.88 -0.30 0.00 0.00 0.00 0.00 46.02 43.66 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 -2.35 2.29 0.13 2.61 -4.23 -1.26 -2.17 115.64 110.65 3kvv s THR 94 Ca 0.12 -1.58 -0.10 0.00 -1.18 0.00 0.00 61.69 58.96 3kvv s THR 94 Cb 0.01 -1.97 -0.00 0.00 1.34 0.00 0.00 72.50 71.88 3kvv s THR 94 CO 0.09 0.21 0.26 0.42 -0.54 0.00 0.00 174.62 175.05 3kvv s THR 95 N -0.97 0.10 -0.22 3.99 -4.23 -1.09 -4.85 115.64 108.38 3kvv s THR 95 Ca 0.13 -1.20 -0.07 0.00 -1.18 0.00 0.00 61.69 59.37 3kvv s THR 95 Cb -0.10 -1.55 -0.03 0.00 1.34 0.00 0.00 72.50 72.16 3kvv s THR 95 CO 0.05 -0.45 0.07 -0.83 -0.54 0.00 0.00 174.62 172.92 3kvv s GLY 96 N -2.90 1.81 0.46 3.99 0.00 -1.16 -1.54 107.32 107.97 3kvv s GLY 96 Ca 0.10 -1.00 -0.21 0.00 0.00 0.00 0.00 44.72 43.61 3kvv s GLY 96 CO -0.06 0.36 1.04 0.00 0.00 0.00 0.00 173.10 174.44 3kvv s ALA 97 N 1.18 2.94 -0.03 3.20 0.00 -0.16 -1.72 121.76 127.17 3kvv s ALA 97 Ca 0.04 0.63 0.05 0.00 0.00 0.00 0.00 51.96 52.68 3kvv s ALA 97 Cb -0.14 -3.25 0.08 0.00 0.00 0.00 0.00 23.12 19.80 3kvv s ALA 97 CO 0.03 -0.26 1.00 0.44 0.00 0.00 0.00 175.76 176.97 3kvv n ILE 98 N -0.68 1.13 -4.82 0.00 -5.35 -0.18 -1.24 119.36 108.22 3kvv n ILE 98 Ca 0.08 -1.23 -0.33 0.00 -0.27 0.00 0.00 62.75 61.00 3kvv n ILE 98 Cb 0.52 0.34 -0.13 0.00 -1.74 0.00 0.00 39.64 38.63 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 -1.39 2.90 0.51 6.28 -1.52 -1.25 -4.82 119.66 120.37 3kvv s GLN 99 Ca 0.08 -0.68 0.27 0.00 -1.95 0.00 0.00 55.36 53.09 3kvv s GLN 99 Cb 0.07 -2.50 1.39 0.00 -0.22 0.00 0.00 33.01 31.75 3kvv s GLN 99 CO 0.01 0.45 2.04 -1.35 -0.25 0.00 0.00 175.29 176.19 3kvv h PRO 100 N 5.91 0.00 -0.00 2.91 0.11 -1.94 -2.66 132.00 136.32 3kvv h PRO 100 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3kvv h PRO 100 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3kvv h PRO 100 CO 0.53 0.13 -0.14 -2.39 -0.21 0.00 0.00 178.00 175.92 3kvv n HIS 101 N -3.58 0.00 -3.42 0.65 1.44 -1.26 -4.74 115.22 104.31 3kvv n HIS 101 Ca -0.01 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.31 3kvv n HIS 101 Cb 0.26 -0.27 -0.09 0.00 0.12 0.00 0.00 29.99 30.02 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 -2.67 5.20 0.15 0.61 1.01 -1.00 -5.07 121.20 119.41 3kvv s ILE 102 Ca 0.23 0.52 -0.02 0.00 0.00 0.00 0.00 60.65 61.37 3kvv s ILE 102 Cb 0.19 -3.67 -0.05 0.00 0.01 0.00 0.00 42.46 38.94 3kvv s ILE 102 CO 0.52 0.18 0.35 0.20 0.00 0.00 0.00 174.94 176.19 3kvv s ASN 103 N 1.59 6.43 0.34 3.58 0.01 -1.26 -4.89 114.94 120.74 3kvv s ASN 103 Ca 0.14 0.47 -0.29 0.00 -0.71 0.00 0.00 52.86 52.47 3kvv s ASN 103 Cb -0.16 -2.04 -0.12 0.00 0.41 0.00 0.00 41.25 39.35 3kvv s ASN 103 CO 0.10 0.04 1.43 0.52 -1.51 0.00 0.00 177.10 177.68 3kvv n VAL 104 N -0.12 1.73 0.00 1.60 0.31 -1.26 -1.41 118.33 119.18 3kvv n VAL 104 Ca -0.04 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 63.86 3kvv n VAL 104 Cb 0.52 -1.78 0.00 0.00 -0.91 0.00 0.00 33.84 31.67 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 1.02 3.41 3.71 2.92 0.00 -0.33 -5.00 105.19 110.92 3kvv n GLY 105 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.97 3.16 -0.03 1.61 1.01 -0.50 -4.71 116.67 116.25 3kvv s ASP 106 Ca 0.00 1.33 0.06 0.00 0.71 0.00 0.00 52.55 54.65 3kvv s ASP 106 Cb 0.00 -2.00 -0.02 0.00 1.01 0.00 0.00 42.92 41.90 3kvv s ASP 106 CO 0.00 -2.81 -0.19 0.68 0.21 0.00 0.00 175.17 173.06 3kvv s VAL 107 N -2.97 2.66 -0.09 -1.27 -7.23 -0.33 -1.60 120.40 109.56 3kvv s VAL 107 Ca 0.64 -0.93 0.03 0.00 -1.81 0.00 0.00 61.98 59.92 3kvv s VAL 107 Cb -0.18 -2.01 -0.01 0.00 0.56 0.00 0.00 36.38 34.74 3kvv s VAL 107 CO 0.57 0.55 -0.20 -0.76 -0.31 0.00 0.00 175.10 174.95 3kvv s LEU 108 N -0.79 2.35 -0.18 1.32 1.43 0.03 -1.37 118.68 121.48 3kvv s LEU 108 Ca 0.11 -0.44 -0.02 0.00 -1.03 0.00 0.00 54.13 52.76 3kvv s LEU 108 Cb -0.10 -1.48 -0.01 0.00 0.03 0.00 0.00 46.19 44.63 3kvv s LEU 108 CO 0.01 0.20 -0.09 -0.69 0.23 0.00 0.00 176.35 176.01 3kvv s VAL 109 N 0.10 3.22 -0.23 -1.59 1.01 0.09 -1.50 120.40 121.50 3kvv s VAL 109 Ca -0.09 -0.57 -0.17 0.00 0.00 0.00 0.00 61.98 61.14 3kvv s VAL 109 Cb -0.15 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 3kvv s VAL 109 CO 0.06 0.48 0.46 -0.89 0.00 0.00 0.00 175.10 175.21 3kvv s THR 110 N 0.91 5.13 0.04 3.92 2.01 -0.71 -1.95 115.64 124.99 3kvv s THR 110 Ca -0.02 0.81 -0.06 0.00 0.31 0.00 0.00 61.69 62.73 3kvv s THR 110 Cb -0.15 -3.79 -0.29 0.00 0.01 0.00 0.00 72.50 68.28 3kvv s THR 110 CO 0.00 0.17 0.99 0.71 -0.69 0.00 0.00 174.62 175.80 3kvv h THR 111 N 5.22 1.31 -2.50 -0.82 1.35 -1.61 -3.41 112.91 112.45 3kvv h THR 111 Ca -0.33 -2.89 0.11 0.00 -0.55 0.00 0.00 66.41 62.76 3kvv h THR 111 Cb 1.15 2.88 -0.11 0.00 -1.73 0.00 0.00 68.15 70.35 3kvv h THR 111 CO 0.71 0.85 0.41 0.00 -0.25 0.00 0.00 175.52 177.25 3kvv s ALA 112 N -2.63 -1.66 0.07 6.62 0.00 -1.26 -0.61 121.76 122.29 3kvv s ALA 112 Ca -0.07 0.47 0.09 0.00 0.00 0.00 0.00 51.96 52.44 3kvv s ALA 112 Cb 0.06 0.62 -0.03 0.00 0.00 0.00 0.00 23.12 23.78 3kvv s ALA 112 CO 0.88 -0.86 -0.24 -1.12 0.00 0.00 0.00 175.76 174.42 3kvv s SER 113 N -2.74 2.86 -0.02 0.00 0.01 -0.33 -2.09 113.70 111.39 3kvv s SER 113 Ca 0.08 -0.61 -0.30 0.00 1.31 0.00 0.00 55.95 56.43 3kvv s SER 113 Cb -0.02 -0.22 -0.04 0.00 0.21 0.00 0.00 66.02 65.95 3kvv s SER 113 CO -0.04 0.18 1.23 -0.69 0.41 0.00 0.00 173.24 174.33 3kvv s VAL 114 N -0.90 4.13 -1.02 3.43 1.01 0.11 -4.37 120.40 122.79 3kvv s VAL 114 Ca 0.10 1.48 -0.18 0.00 0.00 0.00 0.00 61.98 63.37 3kvv s VAL 114 Cb -0.10 -3.95 0.12 0.00 0.00 0.00 0.00 36.38 32.45 3kvv s VAL 114 CO 0.03 0.03 1.27 -0.13 0.00 0.00 0.00 175.10 176.29 3kvv s ARG 115 N 1.97 3.71 -0.45 2.72 0.52 -1.26 -1.54 118.95 124.61 3kvv s ARG 115 Ca 0.58 -1.82 0.04 0.00 -0.52 0.00 0.00 55.73 54.00 3kvv s ARG 115 Cb -0.27 -5.05 0.61 0.00 0.52 0.00 0.00 34.95 30.77 3kvv s ARG 115 CO 0.24 -1.87 1.86 1.28 0.02 0.00 0.00 175.30 176.83 3kvv n LEU 116 N 6.86 6.47 -4.61 2.53 4.77 -0.18 -4.96 117.00 127.88 3kvv n LEU 116 Ca 0.29 -3.75 -0.28 0.00 -0.03 0.00 0.00 56.01 52.24 3kvv n LEU 116 Cb 0.48 -0.82 -0.10 0.00 -2.33 0.00 0.00 43.42 40.65 3kvv n LEU 116 CO 0.57 1.16 -0.28 1.51 -1.33 0.00 0.00 177.39 179.02 3kvv s ASP 117 N -1.60 3.62 -0.17 -1.43 -4.77 -1.22 -1.78 116.67 109.32 3kvv s ASP 117 Ca 0.56 -1.43 0.14 0.00 -3.30 0.00 0.00 52.55 48.52 3kvv s ASP 117 Cb 0.47 -0.16 -0.20 0.00 -1.09 0.00 0.00 42.92 41.95 3kvv s ASP 117 CO 0.08 -0.56 0.04 0.61 0.70 0.00 0.00 175.17 176.03 3kvv n GLY 118 N -0.97 -0.79 0.23 2.12 0.00 -1.26 -4.66 105.19 99.87 3kvv n GLY 118 Ca -0.07 -0.27 -0.01 0.00 0.00 0.00 0.00 46.02 45.67 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 0.76 1.27 -0.72 4.61 0.00 -1.98 -2.39 119.26 120.81 3kvv h ALA 119 Ca -0.46 -0.30 0.06 0.00 0.00 0.00 0.00 54.91 54.22 3kvv h ALA 119 Cb 2.01 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.65 3kvv h ALA 119 CO 0.02 0.48 0.48 0.66 0.00 0.00 0.00 179.25 180.89 3kvv h SER 120 N 0.31 0.67 0.32 0.00 4.64 -1.85 -0.45 113.55 117.18 3kvv h SER 120 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3kvv h SER 120 Cb 0.57 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 3kvv h SER 120 CO 0.04 0.43 0.00 -0.07 -0.87 0.00 0.00 176.83 176.36 3kvv h LEU 121 N 0.76 0.00 -0.03 5.97 3.38 -1.55 -1.29 115.31 122.55 3kvv h LEU 121 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 3kvv h LEU 121 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3kvv h LEU 121 CO -0.10 0.00 -0.02 1.41 0.09 0.00 0.00 178.44 179.82 3kvv n HIS 122 N -2.77 0.00 -0.01 1.13 8.25 -0.18 -3.88 115.22 117.76 3kvv n HIS 122 Ca -0.01 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.43 3kvv n HIS 122 Cb 0.13 -0.27 -0.02 0.00 1.12 0.00 0.00 29.99 30.95 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 -1.24 0.00 -3.57 4.41 3.01 -0.56 -5.09 117.46 114.41 3kvv n PHE 123 Ca 0.14 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.44 3kvv n PHE 123 Cb 0.25 -0.12 -0.07 0.00 -0.01 0.00 0.00 39.48 39.53 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 -2.06 -1.63 0.92 4.37 0.00 -0.74 -5.00 121.76 117.61 3kvv s ALA 124 Ca -0.02 1.34 -0.11 0.00 0.00 0.00 0.00 51.96 53.16 3kvv s ALA 124 Cb 0.01 -0.24 0.14 0.00 0.00 0.00 0.00 23.12 23.04 3kvv s ALA 124 CO 0.09 -0.35 1.09 -1.25 0.00 0.00 0.00 175.76 175.35 3kvv s PRO 125 N -0.86 1.04 0.40 0.00 0.04 -1.26 -3.94 135.00 130.42 3kvv s PRO 125 Ca -0.09 1.03 0.10 0.00 0.04 0.00 0.00 61.00 62.08 3kvv s PRO 125 Cb -0.02 -1.77 0.90 0.00 0.04 0.00 0.00 34.50 33.65 3kvv s PRO 125 CO 0.07 -2.45 1.96 1.25 0.04 0.00 0.00 177.00 177.88 3kvv h LEU 126 N -1.71 0.51 -2.61 -3.56 5.85 -1.94 -1.19 115.31 110.66 3kvv h LEU 126 Ca -0.49 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.24 3kvv h LEU 126 Cb 1.28 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.21 3kvv h LEU 126 CO 0.51 0.31 -0.01 1.05 -0.34 0.00 0.00 178.44 179.96 3kvv h GLU 127 N 0.57 0.00 -6.58 1.25 9.09 -2.03 -3.42 114.58 113.46 3kvv h GLU 127 Ca 0.31 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 59.19 3kvv h GLU 127 Cb 0.45 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.58 3kvv h GLU 127 CO -0.10 0.01 0.67 0.12 0.05 0.00 0.00 179.01 179.76 3kvv s PHE 128 N -4.21 3.29 0.17 2.06 2.19 -0.45 -4.99 117.98 116.03 3kvv s PHE 128 Ca -0.04 1.11 -0.30 0.00 0.33 0.00 0.00 56.93 58.03 3kvv s PHE 128 Cb 0.13 -3.60 -0.08 0.00 -1.31 0.00 0.00 43.02 38.16 3kvv s PHE 128 CO 0.47 -2.00 1.14 -1.25 1.83 0.00 0.00 175.22 175.42 3kvv s PRO 129 N 0.67 4.54 -1.43 10.12 0.04 -1.26 -4.94 135.00 142.74 3kvv s PRO 129 Ca 0.61 1.78 -0.13 0.00 0.04 0.00 0.00 61.00 63.29 3kvv s PRO 129 Cb -0.35 -3.27 0.06 0.00 0.04 0.00 0.00 34.50 30.98 3kvv s PRO 129 CO 0.33 -0.01 2.17 0.00 0.04 0.00 0.00 177.00 179.52 3kvv n ALA 130 N 2.56 5.50 -2.78 8.56 0.00 -1.26 -4.74 120.51 128.35 3kvv n ALA 130 Ca 0.04 -3.95 -0.34 0.00 0.00 0.00 0.00 53.44 49.19 3kvv n ALA 130 Cb 0.46 -3.45 -0.07 0.00 0.00 0.00 0.00 19.45 16.38 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 2.75 4.80 0.48 0.00 0.11 -1.26 -1.18 120.40 126.10 3kvv s VAL 131 Ca 0.46 -0.25 -0.13 0.00 -2.93 0.00 0.00 61.98 59.13 3kvv s VAL 131 Cb 0.13 -3.14 -0.07 0.00 -1.53 0.00 0.00 36.38 31.78 3kvv s VAL 131 CO -0.07 0.46 0.89 0.00 -3.33 0.00 0.00 175.10 173.05 3kvv s ALA 132 N -1.10 3.20 0.24 1.54 0.00 0.22 -4.66 121.76 121.21 3kvv s ALA 132 Ca 0.19 -0.02 -0.30 0.00 0.00 0.00 0.00 51.96 51.83 3kvv s ALA 132 Cb -0.12 -2.93 -0.10 0.00 0.00 0.00 0.00 23.12 19.97 3kvv s ALA 132 CO 0.10 -0.18 1.47 0.34 0.00 0.00 0.00 175.76 177.49 3kvv s ASP 133 N -3.23 6.61 0.21 0.00 2.15 0.42 -4.92 116.67 117.91 3kvv s ASP 133 Ca 0.55 2.69 -0.09 0.00 0.43 0.00 0.00 52.55 56.14 3kvv s ASP 133 Cb -0.10 -2.62 0.16 0.00 -0.30 0.00 0.00 42.92 40.06 3kvv s ASP 133 CO 0.34 -0.74 1.82 0.15 -0.17 0.00 0.00 175.17 176.56 3kvv h PHE 134 N 5.23 1.11 -0.49 -5.34 3.04 -1.95 -0.82 116.94 117.72 3kvv h PHE 134 Ca -0.46 -0.04 -0.10 0.00 3.98 0.00 0.00 57.97 61.35 3kvv h PHE 134 Cb 1.22 -0.35 -0.02 0.00 2.56 0.00 0.00 35.95 39.36 3kvv h PHE 134 CO 0.60 0.79 -0.09 0.93 -2.02 0.00 0.00 178.31 178.53 3kvv h GLU 135 N 1.11 0.89 -0.32 1.11 5.08 -1.96 -0.83 114.58 119.66 3kvv h GLU 135 Ca 0.27 -0.30 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 3kvv h GLU 135 Cb 0.08 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3kvv h GLU 135 CO -0.04 0.95 -0.15 0.00 -1.00 0.00 0.00 179.01 178.77 3kvv h THR 137 N 0.44 1.17 -0.45 0.00 2.02 -1.08 -0.66 112.91 114.36 3kvv h THR 137 Ca 0.07 -0.49 0.04 0.00 0.77 0.00 0.00 66.41 66.80 3kvv h THR 137 Cb 0.68 0.72 -0.04 0.00 -1.74 0.00 0.00 68.15 67.77 3kvv h THR 137 CO 0.05 0.19 0.23 0.74 0.37 0.00 0.00 175.52 177.09 3kvv h THR 138 N 0.55 0.97 -0.87 3.16 2.02 -1.07 -0.57 112.91 117.10 3kvv h THR 138 Ca 0.15 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 67.14 3kvv h THR 138 Cb 0.11 0.48 -0.04 0.00 -1.74 0.00 0.00 68.15 66.96 3kvv h THR 138 CO -0.02 0.08 0.44 0.00 0.37 0.00 0.00 175.52 176.39 3kvv h ALA 139 N 1.24 1.12 -0.35 6.16 0.00 -0.83 -1.04 119.26 125.54 3kvv h ALA 139 Ca 0.19 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3kvv h ALA 139 Cb 0.09 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3kvv h ALA 139 CO -0.13 0.66 -0.11 -0.07 0.00 0.00 0.00 179.25 179.60 3kvv h LEU 140 N 1.23 0.71 -0.61 0.00 3.38 -0.77 -0.12 115.31 119.12 3kvv h LEU 140 Ca 0.30 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 3kvv h LEU 140 Cb 0.09 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 3kvv h LEU 140 CO -0.04 0.93 0.28 0.58 0.09 0.00 0.00 178.44 180.28 3kvv h VAL 141 N 0.49 1.22 -0.22 1.22 2.07 -0.92 -0.36 116.25 119.74 3kvv h VAL 141 Ca 0.09 -0.63 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 3kvv h VAL 141 Cb 0.63 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 3kvv h VAL 141 CO 0.04 0.25 0.06 -0.33 0.02 0.00 0.00 177.57 177.62 3kvv h GLU 142 N 0.84 0.35 -0.77 1.57 5.08 -1.13 -2.17 114.58 118.36 3kvv h GLU 142 Ca 0.21 -0.08 0.09 0.00 -1.00 0.00 0.00 59.36 58.57 3kvv h GLU 142 Cb 0.14 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.27 3kvv h GLU 142 CO -0.02 0.45 0.42 0.00 -1.00 0.00 0.00 179.01 178.86 3kvv h ALA 143 N 0.88 1.07 0.24 3.43 0.00 -0.81 0.15 119.26 124.23 3kvv h ALA 143 Ca 0.07 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3kvv h ALA 143 Cb 0.25 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3kvv h ALA 143 CO -0.00 0.06 -0.24 0.00 0.00 0.00 0.00 179.25 179.07 3kvv h ALA 144 N 1.43 -0.50 -0.32 0.00 0.00 -0.87 -1.88 119.26 117.11 3kvv h ALA 144 Ca 0.37 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.23 3kvv h ALA 144 Cb 0.32 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3kvv h ALA 144 CO -0.24 -0.81 0.22 1.57 0.00 0.00 0.00 179.25 179.99 3kvv h LYS 145 N -0.52 0.32 -0.58 0.00 5.09 -1.06 -2.23 116.57 117.60 3kvv h LYS 145 Ca -0.00 -0.02 0.05 0.00 0.09 0.00 0.00 60.65 60.77 3kvv h LYS 145 Cb 0.48 -0.07 -0.03 0.00 0.10 0.00 0.00 32.23 32.70 3kvv h LYS 145 CO -0.05 0.21 0.38 1.03 -2.09 0.00 0.00 179.45 178.93 3kvv h SER 146 N 0.33 0.51 -0.43 7.07 0.87 0.13 -1.20 113.55 120.83 3kvv h SER 146 Ca 0.13 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 3kvv h SER 146 Cb 0.12 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 3kvv h SER 146 CO -0.03 0.34 0.00 2.30 -0.53 0.00 0.00 176.83 178.91 3kvv n ILE 147 N -4.47 1.37 -1.67 2.23 -5.35 -0.98 -4.98 119.36 105.50 3kvv n ILE 147 Ca 0.08 -1.19 -0.13 0.00 -0.27 0.00 0.00 62.75 61.24 3kvv n ILE 147 Cb 0.21 0.30 -0.04 0.00 -1.74 0.00 0.00 39.64 38.37 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 0.57 0.83 3.77 3.28 0.00 -0.46 -4.99 105.19 108.19 3kvv n GLY 148 Ca 0.17 -0.41 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.53 2.75 -0.33 4.61 0.00 -0.88 -4.98 121.76 120.41 3kvv s ALA 149 Ca 0.00 0.87 -0.29 0.00 0.00 0.00 0.00 51.96 52.54 3kvv s ALA 149 Cb 0.00 -3.37 0.01 0.00 0.00 0.00 0.00 23.12 19.76 3kvv s ALA 149 CO 0.00 -0.78 1.17 0.99 0.00 0.00 0.00 175.76 177.15 3kvv s THR 150 N -1.70 4.33 -0.06 0.00 2.01 -1.26 -4.63 115.64 114.34 3kvv s THR 150 Ca 0.71 1.51 0.06 0.00 0.31 0.00 0.00 61.69 64.28 3kvv s THR 150 Cb -0.26 -4.33 -0.01 0.00 0.01 0.00 0.00 72.50 67.91 3kvv s THR 150 CO 0.29 -0.53 -0.23 -0.89 -0.69 0.00 0.00 174.62 172.57 3kvv s THR 151 N 4.01 2.22 0.00 -0.82 2.01 -1.26 -1.19 115.64 120.61 3kvv s THR 151 Ca 0.50 -1.01 0.07 0.00 0.31 0.00 0.00 61.69 61.56 3kvv s THR 151 Cb -0.13 -1.82 -0.02 0.00 0.01 0.00 0.00 72.50 70.54 3kvv s THR 151 CO 0.20 0.57 -0.22 -1.00 -0.69 0.00 0.00 174.62 173.48 3kvv s HIS 152 N -0.24 1.95 -0.10 4.92 3.76 -0.47 -4.99 115.29 120.12 3kvv s HIS 152 Ca -0.01 -0.37 0.03 0.00 -0.15 0.00 0.00 55.06 54.55 3kvv s HIS 152 Cb -0.13 -1.23 0.01 0.00 1.11 0.00 0.00 32.58 32.34 3kvv s HIS 152 CO 0.03 0.01 -0.18 0.08 -0.85 0.00 0.00 174.74 173.83 3kvv s VAL 153 N -0.60 1.65 -3.83 -0.90 1.01 -1.26 -0.73 120.40 115.74 3kvv s VAL 153 Ca 0.08 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.31 3kvv s VAL 153 Cb -0.09 -1.47 0.00 0.00 0.00 0.00 0.00 36.38 34.82 3kvv s VAL 153 CO -0.00 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.18 3kvv n GLY 154 N 3.91 -0.52 3.81 4.51 0.00 -0.82 -4.96 105.19 111.12 3kvv n GLY 154 Ca -0.20 -0.92 -0.37 0.00 0.00 0.00 0.00 46.02 44.53 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 -3.23 4.59 0.01 1.61 1.01 -1.26 -1.50 120.40 121.64 3kvv s VAL 155 Ca 0.00 1.30 0.07 0.00 0.00 0.00 0.00 61.98 63.35 3kvv s VAL 155 Cb 0.00 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 3kvv s VAL 155 CO 0.00 0.31 -0.22 -0.89 0.00 0.00 0.00 175.10 174.29 3kvv s THR 156 N -1.40 1.79 -0.19 3.92 2.01 -0.89 -1.03 115.64 119.86 3kvv s THR 156 Ca 0.39 -1.10 -0.17 0.00 0.31 0.00 0.00 61.69 61.12 3kvv s THR 156 Cb -0.18 -1.52 -0.04 0.00 0.01 0.00 0.00 72.50 70.77 3kvv s THR 156 CO 0.21 0.38 0.43 0.00 -0.69 0.00 0.00 174.62 174.96 3kvv s ALA 157 N -0.66 3.54 -0.24 7.40 0.00 -0.06 0.05 121.76 131.79 3kvv s ALA 157 Ca 0.09 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.60 3kvv s ALA 157 Cb -0.09 -2.67 0.04 0.00 0.00 0.00 0.00 23.12 20.40 3kvv s ALA 157 CO 0.00 -0.28 -0.09 0.45 0.00 0.00 0.00 175.76 175.85 3kvv s SER 158 N 0.99 4.19 -0.06 0.00 0.15 -0.59 -1.85 113.70 116.52 3kvv s SER 158 Ca 0.21 -1.00 0.03 0.00 0.70 0.00 0.00 55.95 55.89 3kvv s SER 158 Cb -0.15 -1.61 -0.03 0.00 -1.71 0.00 0.00 66.02 62.53 3kvv s SER 158 CO 0.08 -0.13 -0.13 -0.55 1.20 0.00 0.00 173.24 173.71 3kvv s SER 159 N 1.26 4.13 0.00 5.45 0.15 0.12 -1.01 113.70 123.79 3kvv s SER 159 Ca -0.02 -0.18 0.17 0.00 0.70 0.00 0.00 55.95 56.63 3kvv s SER 159 Cb -0.17 -0.95 0.79 0.00 -1.71 0.00 0.00 66.02 63.99 3kvv s SER 159 CO -0.06 0.34 1.54 0.47 1.20 0.00 0.00 173.24 176.73 3kvv n ASP 160 N 2.37 0.00 -4.23 5.45 9.92 -0.73 -4.34 116.55 124.99 3kvv n ASP 160 Ca -0.17 0.32 -0.21 0.00 -0.53 0.00 0.00 54.79 54.19 3kvv n ASP 160 Cb 0.52 -0.42 -0.12 0.00 -0.64 0.00 0.00 41.12 40.46 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 1.41 0.08 -3.53 2.01 -1.26 -5.02 115.64 106.50 3kvv s THR 161 Ca 0.12 -1.41 0.02 0.00 0.31 0.00 0.00 61.69 60.72 3kvv s THR 161 Cb 0.11 -1.31 -0.25 0.00 0.01 0.00 0.00 72.50 71.06 3kvv s THR 161 CO 0.30 -0.13 1.14 0.15 -0.69 0.00 0.00 174.62 175.38 3kvv h PHE 162 N 4.21 0.25 0.00 4.92 3.57 -1.97 -3.38 116.94 124.54 3kvv h PHE 162 Ca -0.43 -0.18 0.00 0.00 3.53 0.00 0.00 57.97 60.88 3kvv h PHE 162 Cb 1.19 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.92 3kvv h PHE 162 CO 0.62 1.16 0.00 0.66 -2.23 0.00 0.00 178.31 178.52 3kvv n TYR 163 N -3.42 0.00 -0.13 0.41 4.02 -1.26 -4.32 117.16 112.47 3kvv n TYR 163 Ca -0.06 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.82 3kvv n TYR 163 Cb 0.99 0.00 0.24 0.00 -0.02 0.00 0.00 39.34 40.56 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 0.81 0.00 -0.72 0.13 -1.88 -0.84 132.00 129.51 3kvv h PRO 164 Ca 0.00 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 3kvv h PRO 164 Cb 0.00 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 30.98 3kvv h PRO 164 CO 0.00 0.66 0.00 0.78 -0.23 0.00 0.00 178.00 179.21 3kvv h GLY 165 N 0.92 0.00 -2.00 1.56 0.00 -1.87 0.70 103.07 102.39 3kvv h GLY 165 Ca 0.20 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.47 3kvv h GLY 165 CO -0.02 0.00 0.02 -1.06 0.00 0.00 0.00 176.54 175.48 3kvv n GLN 166 N -2.97 2.90 -4.17 4.80 6.02 -0.44 -4.92 117.38 118.59 3kvv n GLN 166 Ca -0.02 -2.95 -0.30 0.00 -0.01 0.00 0.00 57.00 53.73 3kvv n GLN 166 Cb 0.13 -1.90 -0.07 0.00 1.02 0.00 0.00 30.24 29.42 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 -0.54 -1.76 -3.35 -1.09 2.13 0.24 -4.93 120.64 111.34 3kvv n GLU 167 Ca 0.26 0.21 -0.38 0.00 0.66 0.00 0.00 57.16 57.91 3kvv n GLU 167 Cb 0.99 -3.89 -0.06 0.00 0.27 0.00 0.00 31.44 28.75 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 -7.07 4.16 0.00 5.31 0.52 -0.51 -4.97 118.95 116.39 3kvv s ARG 168 Ca 0.03 0.56 0.12 0.00 -0.52 0.00 0.00 55.73 55.92 3kvv s ARG 168 Cb -0.01 -3.29 0.11 0.00 0.52 0.00 0.00 34.95 32.27 3kvv s ARG 168 CO 0.96 0.50 0.90 0.66 0.02 0.00 0.00 175.30 178.34 3kvv n TYR 169 N 2.36 0.03 -1.57 -0.53 4.02 -1.26 -4.32 117.16 115.89 3kvv n TYR 169 Ca -0.10 -0.03 -0.40 0.00 -0.01 0.00 0.00 57.90 57.36 3kvv n TYR 169 Cb 0.51 -0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.81 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 0.66 7.95 -4.33 7.72 5.75 -1.26 -4.28 116.55 128.76 3kvv n ASP 170 Ca 0.07 -2.76 -0.17 0.00 -0.01 0.00 0.00 54.79 51.92 3kvv n ASP 170 Cb 0.30 -1.52 -0.10 0.00 -1.03 0.00 0.00 41.12 38.77 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 1.37 0.67 0.17 2.12 -4.23 -1.26 -5.02 115.64 109.46 3kvv s THR 171 Ca 0.62 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.94 3kvv s THR 171 Cb 0.17 -2.61 0.08 0.00 1.34 0.00 0.00 72.50 71.49 3kvv s THR 171 CO -0.07 -0.05 1.64 0.22 -0.54 0.00 0.00 174.62 175.83 3kvv h TYR 172 N 2.37 -0.44 0.00 3.99 5.03 -1.99 -2.96 116.97 122.97 3kvv h TYR 172 Ca -0.38 0.04 -0.21 0.00 2.58 0.00 0.00 58.73 60.76 3kvv h TYR 172 Cb 1.24 0.25 -0.03 0.00 1.55 0.00 0.00 36.73 39.74 3kvv h TYR 172 CO 0.48 -0.26 -1.11 0.66 -1.32 0.00 0.00 178.16 176.62 3kvv h SER 173 N -0.12 0.00 -0.86 -2.11 4.64 -1.97 -3.48 113.55 109.66 3kvv h SER 173 Ca 0.18 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.27 3kvv h SER 173 Cb 0.40 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.42 3kvv h SER 173 CO -0.44 0.90 -0.23 0.61 -0.87 0.00 0.00 176.83 176.80 3kvv n GLY 174 N 1.38 0.84 3.16 -0.77 0.00 -1.12 -5.00 105.19 103.68 3kvv n GLY 174 Ca -0.04 -0.48 -0.10 0.00 0.00 0.00 0.00 46.02 45.40 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 -3.44 0.98 -0.04 1.61 1.70 -1.26 -4.93 118.95 113.55 3kvv s ARG 175 Ca 0.00 -1.47 0.03 0.00 -0.47 0.00 0.00 55.73 53.81 3kvv s ARG 175 Cb 0.00 0.21 0.01 0.00 -0.57 0.00 0.00 34.95 34.59 3kvv s ARG 175 CO 0.00 -0.27 -0.11 0.08 -1.08 0.00 0.00 175.30 173.92 3kvv s VAL 176 N -4.03 1.00 0.50 4.99 1.01 -1.26 -4.93 120.40 117.68 3kvv s VAL 176 Ca 0.26 -0.44 -0.20 0.00 0.00 0.00 0.00 61.98 61.60 3kvv s VAL 176 Cb 0.07 -0.90 -0.10 0.00 0.00 0.00 0.00 36.38 35.45 3kvv s VAL 176 CO 0.03 0.31 0.59 0.55 0.00 0.00 0.00 175.10 176.58 3kvv n VAL 177 N 3.53 2.12 -0.26 2.92 3.14 -1.26 -4.59 118.33 123.94 3kvv n VAL 177 Ca -0.21 -0.50 0.05 0.00 -2.96 0.00 0.00 64.34 60.73 3kvv n VAL 177 Cb 0.53 -0.69 0.16 0.00 -1.06 0.00 0.00 33.84 32.78 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 0.57 0.11 -0.90 1.45 2.43 -2.00 -0.57 114.38 115.47 3kvv h ARG 178 Ca -0.44 -0.01 0.21 0.00 -0.81 0.00 0.00 59.98 58.93 3kvv h ARG 178 Cb 1.39 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.85 3kvv h ARG 178 CO 0.50 0.07 0.60 1.25 -1.51 0.00 0.00 179.97 180.88 3kvv h HIS 179 N 0.11 0.49 -0.01 2.20 2.76 -2.03 -1.81 115.15 116.86 3kvv h HIS 179 Ca 0.41 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.60 3kvv h HIS 179 Cb 0.73 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.54 3kvv h HIS 179 CO -0.41 0.13 -0.53 1.19 -1.30 0.00 0.00 177.93 177.01 3kvv n PHE 180 N -4.49 0.00 -1.82 5.26 3.01 -0.26 -4.81 117.46 114.35 3kvv n PHE 180 Ca 0.19 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.23 3kvv n PHE 180 Cb 0.72 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.16 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 -2.46 4.17 0.00 -1.08 -0.14 -0.68 -1.72 119.74 117.83 3kvv s LYS 181 Ca 0.16 2.47 0.00 0.00 -1.36 0.00 0.00 55.97 57.24 3kvv s LYS 181 Cb 0.17 -3.49 0.00 0.00 -1.68 0.00 0.00 37.83 32.83 3kvv s LYS 181 CO 0.59 -0.77 0.00 0.41 -0.76 0.00 0.00 175.35 174.82 3kvv n GLY 182 N 4.06 0.44 0.22 -3.33 0.00 -1.26 -4.93 105.19 100.40 3kvv n GLY 182 Ca 0.16 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.04 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 0.85 -0.53 1.61 4.64 -1.65 -2.72 113.55 115.75 3kvv h SER 183 Ca 0.00 -0.52 -0.04 0.00 -0.47 0.00 0.00 61.79 60.76 3kvv h SER 183 Cb 0.16 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 61.98 3kvv h SER 183 CO 0.00 1.30 0.17 -0.03 -0.87 0.00 0.00 176.83 177.40 3kvv h MET 184 N 0.53 0.83 -0.89 4.77 -1.53 -1.92 -0.38 114.93 116.34 3kvv h MET 184 Ca -0.02 -0.18 0.02 0.00 -3.44 0.00 0.00 59.70 56.08 3kvv h MET 184 Cb 1.28 -0.12 -0.05 0.00 -0.55 0.00 0.00 31.60 32.16 3kvv h MET 184 CO 0.14 0.76 0.59 1.49 0.14 0.00 0.00 176.91 180.02 3kvv h GLU 185 N 0.73 1.15 0.16 0.39 4.81 -1.97 0.96 114.58 120.81 3kvv h GLU 185 Ca 0.17 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 3kvv h GLU 185 Cb 0.27 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.40 3kvv h GLU 185 CO -0.01 0.76 -0.08 1.49 -0.73 0.00 0.00 179.01 180.45 3kvv h GLU 186 N 1.19 -0.20 -0.70 1.92 4.57 -1.05 -1.19 114.58 119.11 3kvv h GLU 186 Ca 0.34 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.51 3kvv h GLU 186 Cb -0.10 0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.51 3kvv h GLU 186 CO -0.09 -0.12 0.34 -1.49 -1.18 0.00 0.00 179.01 176.48 3kvv h TRP 187 N -0.23 0.99 -0.49 0.92 -0.00 -0.78 -1.69 115.95 114.66 3kvv h TRP 187 Ca -0.02 -0.04 0.01 0.00 -0.00 0.00 0.00 58.89 58.84 3kvv h TRP 187 Cb 0.18 -0.31 -0.03 0.00 -0.00 0.00 0.00 29.16 29.00 3kvv h TRP 187 CO -0.06 0.72 0.32 1.96 -0.00 0.00 0.00 178.44 181.37 3kvv h GLN 188 N 0.99 0.62 -0.05 0.49 4.20 -0.64 -1.24 115.11 119.48 3kvv h GLN 188 Ca 0.24 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.86 3kvv h GLN 188 Cb 0.09 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 3kvv h GLN 188 CO -0.03 0.41 -0.25 0.00 -0.67 0.00 0.00 178.83 178.29 3kvv h ALA 189 N 1.20 1.50 -0.03 3.87 0.00 -0.84 -1.88 119.26 123.07 3kvv h ALA 189 Ca 0.19 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3kvv h ALA 189 Cb -0.04 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3kvv h ALA 189 CO -0.06 0.37 0.00 -1.33 0.00 0.00 0.00 179.25 178.23 3kvv n MET 190 N -4.21 1.22 -0.69 0.00 2.81 -0.67 -4.92 117.12 110.66 3kvv n MET 190 Ca -0.02 -0.32 0.00 0.00 -1.81 0.00 0.00 57.70 55.55 3kvv n MET 190 Cb 0.32 -1.41 0.00 0.00 -0.71 0.00 0.00 33.22 31.42 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 0.98 0.66 3.74 3.03 0.00 -0.71 -5.02 105.19 107.87 3kvv n GLY 191 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.05 2.34 0.08 1.61 1.01 -0.52 -4.66 120.40 118.20 3kvv s VAL 192 Ca 0.00 0.27 -0.08 0.00 0.00 0.00 0.00 61.98 62.17 3kvv s VAL 192 Cb 0.00 -3.17 -0.27 0.00 0.00 0.00 0.00 36.38 32.94 3kvv s VAL 192 CO 0.00 0.04 1.16 0.24 0.00 0.00 0.00 175.10 176.53 3kvv h MET 193 N 5.55 0.40 -2.25 2.72 0.00 -1.41 -3.42 114.93 116.52 3kvv h MET 193 Ca -0.45 -0.59 0.16 0.00 0.00 0.00 0.00 59.70 58.82 3kvv h MET 193 Cb 1.21 0.20 -0.11 0.00 0.00 0.00 0.00 31.60 32.90 3kvv h MET 193 CO 0.84 1.25 0.51 0.54 0.00 0.00 0.00 176.91 180.05 3kvv s ASN 194 N -7.24 -0.25 -0.06 1.22 4.22 -1.26 -1.01 114.94 110.56 3kvv s ASN 194 Ca -0.06 -0.21 0.02 0.00 -2.14 0.00 0.00 52.86 50.46 3kvv s ASN 194 Cb 0.07 0.42 -0.03 0.00 1.28 0.00 0.00 41.25 42.99 3kvv s ASN 194 CO 0.90 -0.74 -0.08 -0.31 -2.04 0.00 0.00 177.10 174.82 3kvv s TYR 195 N -3.15 2.88 0.00 1.54 1.51 -0.70 -0.88 117.35 118.55 3kvv s TYR 195 Ca 0.09 -0.02 0.00 0.00 -1.01 0.00 0.00 57.07 56.13 3kvv s TYR 195 Cb -0.01 -1.68 0.00 0.00 -0.11 0.00 0.00 41.96 40.16 3kvv s TYR 195 CO -0.03 0.31 0.00 -0.85 -1.11 0.00 0.00 175.55 173.87 3kvv n GLU 196 N 2.15 0.00 0.00 -0.62 -0.00 -0.77 -2.99 120.64 118.41 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 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.97 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 0.41 0.00 3.44 2.81 -1.26 -0.70 117.12 121.82 3kvv n MET 197 Ca 0.00 -0.63 0.00 0.00 -1.81 0.00 0.00 57.70 55.26 3kvv n MET 197 Cb 0.00 -0.79 0.00 0.00 -0.71 0.00 0.00 33.22 31.72 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 -0.12 2.07 -0.10 0.03 4.71 -1.26 -3.31 120.64 122.64 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 -0.83 0.15 0.00 -1.01 0.00 0.00 31.44 29.95 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 0.76 -0.66 1.62 4.64 -1.94 -1.86 113.55 116.10 3kvv h SER 199 Ca 0.00 -0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 3kvv h SER 199 Cb 0.05 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 61.91 3kvv h SER 199 CO 0.00 0.86 0.43 0.00 -0.87 0.00 0.00 176.83 177.25 3kvv h ALA 200 N 1.22 0.84 0.07 5.18 0.00 -1.87 0.29 119.26 125.00 3kvv h ALA 200 Ca 0.13 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3kvv h ALA 200 Cb 0.51 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3kvv h ALA 200 CO 0.03 0.28 -0.04 1.15 0.00 0.00 0.00 179.25 180.67 3kvv h THR 201 N 0.90 1.13 0.14 0.00 2.02 -1.88 -2.02 112.91 113.20 3kvv h THR 201 Ca 0.24 -0.75 0.01 0.00 0.77 0.00 0.00 66.41 66.68 3kvv h THR 201 Cb -0.09 1.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 3kvv h THR 201 CO -0.05 0.18 -0.20 0.25 0.37 0.00 0.00 175.52 176.08 3kvv h LEU 202 N -0.44 -0.54 -0.48 2.58 5.85 -1.10 -0.88 115.31 120.30 3kvv h LEU 202 Ca -0.01 0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.68 3kvv h LEU 202 Cb 0.38 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 3kvv h LEU 202 CO 0.02 -0.29 -0.04 -0.07 -0.34 0.00 0.00 178.44 177.72 3kvv h LEU 203 N -0.40 0.86 -0.28 2.25 3.38 -0.47 -1.52 115.31 119.14 3kvv h LEU 203 Ca 0.02 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.62 3kvv h LEU 203 Cb 0.40 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3kvv h LEU 203 CO -0.09 0.98 0.02 0.74 0.09 0.00 0.00 178.44 180.19 3kvv h THR 204 N 0.72 1.25 -0.16 0.22 2.02 -1.33 -0.18 112.91 115.46 3kvv h THR 204 Ca 0.13 -0.86 -0.09 0.00 0.77 0.00 0.00 66.41 66.36 3kvv h THR 204 Cb 0.56 1.27 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 3kvv h THR 204 CO 0.03 0.28 -0.30 0.00 0.37 0.00 0.00 175.52 175.90 3kvv h MET 205 N 0.28 0.31 0.01 6.66 -0.00 -1.04 -2.05 114.93 119.09 3kvv h MET 205 Ca 0.08 -0.12 -0.03 0.00 -0.00 0.00 0.00 59.70 59.63 3kvv h MET 205 Cb 0.38 -0.02 0.00 0.00 -0.00 0.00 0.00 31.60 31.97 3kvv h MET 205 CO 0.01 0.59 -0.14 0.00 -0.00 0.00 0.00 176.91 177.37 3kvv h ALA 207 N 0.18 1.77 -0.19 0.00 0.00 -0.98 -1.24 119.26 118.80 3kvv h ALA 207 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3kvv h ALA 207 Cb 0.95 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3kvv h ALA 207 CO 0.03 -0.10 0.00 -1.13 0.00 0.00 0.00 179.25 178.05 3kvv n SER 208 N -4.07 2.62 -0.27 0.00 3.41 -0.78 -4.19 113.62 110.35 3kvv n SER 208 Ca -0.01 -1.86 0.02 0.00 -0.26 0.00 0.00 58.87 56.76 3kvv n SER 208 Cb 0.16 -0.11 0.03 0.00 -0.26 0.00 0.00 64.21 64.03 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 0.98 0.55 -1.94 4.33 6.02 -0.55 -5.01 117.38 121.77 3kvv n GLN 209 Ca 0.17 -1.34 -0.10 0.00 -0.01 0.00 0.00 57.00 55.72 3kvv n GLN 209 Cb 0.50 -0.78 -0.02 0.00 1.02 0.00 0.00 30.24 30.97 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 -0.39 0.29 3.74 1.08 0.00 -0.96 -5.02 105.19 103.93 3kvv n GLY 210 Ca 0.04 -0.50 -0.32 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.70 3.70 -0.10 0.99 1.43 -0.72 -5.06 118.68 116.22 3kvv s LEU 211 Ca 0.00 0.01 -0.15 0.00 -1.03 0.00 0.00 54.13 52.96 3kvv s LEU 211 Cb 0.00 -2.24 -0.05 0.00 0.03 0.00 0.00 46.19 43.93 3kvv s LEU 211 CO 0.00 0.23 0.38 -0.13 0.23 0.00 0.00 176.35 177.06 3kvv s ARG 212 N -1.94 4.16 0.02 1.70 0.52 0.06 -4.00 118.95 119.47 3kvv s ARG 212 Ca 0.24 0.29 0.00 0.00 -0.52 0.00 0.00 55.73 55.74 3kvv s ARG 212 Cb -0.12 -3.36 -0.02 0.00 0.52 0.00 0.00 34.95 31.97 3kvv s ARG 212 CO 0.16 0.36 -0.03 0.00 0.02 0.00 0.00 175.30 175.81 3kvv s ALA 213 N 0.03 0.12 0.14 2.13 0.00 -1.26 -0.20 121.76 122.73 3kvv s ALA 213 Ca 0.21 -0.46 -0.00 0.00 0.00 0.00 0.00 51.96 51.71 3kvv s ALA 213 Cb -0.15 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 3kvv s ALA 213 CO 0.09 -0.11 0.04 0.20 0.00 0.00 0.00 175.76 175.98 3kvv s GLY 214 N -1.11 1.05 -0.08 0.00 0.00 -0.60 -0.44 107.32 106.15 3kvv s GLY 214 Ca -0.12 -1.51 -0.03 0.00 0.00 0.00 0.00 44.72 43.06 3kvv s GLY 214 CO -0.01 -1.40 0.16 -0.29 0.00 0.00 0.00 173.10 171.55 3kvv s MET 215 N -4.02 0.04 0.07 2.90 1.75 -1.26 -1.14 119.30 117.65 3kvv s MET 215 Ca 0.24 0.53 0.06 0.00 -1.25 0.00 0.00 55.69 55.27 3kvv s MET 215 Cb 0.07 -0.26 -0.03 0.00 2.84 0.00 0.00 34.83 37.45 3kvv s MET 215 CO 0.02 -0.28 -0.16 0.54 -0.65 0.00 0.00 175.02 174.49 3kvv s VAL 216 N 2.09 1.25 -0.09 10.11 0.11 -0.53 -1.73 120.40 131.61 3kvv s VAL 216 Ca 0.01 -1.31 -0.15 0.00 -2.93 0.00 0.00 61.98 57.60 3kvv s VAL 216 Cb -0.12 -1.17 0.03 0.00 -1.53 0.00 0.00 36.38 33.59 3kvv s VAL 216 CO -0.06 -0.15 0.38 0.00 -3.33 0.00 0.00 175.10 171.95 3kvv s ALA 217 N -1.18 -0.96 -0.09 1.54 0.00 -0.56 -0.96 121.76 119.55 3kvv s ALA 217 Ca 0.00 0.83 -0.15 0.00 0.00 0.00 0.00 51.96 52.64 3kvv s ALA 217 Cb -0.10 -0.33 -0.05 0.00 0.00 0.00 0.00 23.12 22.64 3kvv s ALA 217 CO 0.03 -0.23 0.39 0.20 0.00 0.00 0.00 175.76 176.15 3kvv s GLY 218 N -0.46 2.36 -0.13 0.00 0.00 -0.92 -0.79 107.32 107.38 3kvv s GLY 218 Ca -0.06 -0.29 -0.29 0.00 0.00 0.00 0.00 44.72 44.08 3kvv s GLY 218 CO 0.03 0.43 1.36 0.14 0.00 0.00 0.00 173.10 175.06 3kvv s VAL 219 N -0.04 4.11 -0.22 1.40 1.01 -0.63 -2.65 120.40 123.38 3kvv s VAL 219 Ca 0.22 1.34 0.14 0.00 0.00 0.00 0.00 61.98 63.68 3kvv s VAL 219 Cb -0.15 -3.87 -0.19 0.00 0.00 0.00 0.00 36.38 32.17 3kvv s VAL 219 CO 0.09 -0.11 0.40 2.30 0.00 0.00 0.00 175.10 177.77 3kvv n ILE 220 N 5.37 0.00 -3.79 2.22 -5.35 -0.59 -1.18 119.36 116.04 3kvv n ILE 220 Ca 0.15 -0.27 -0.10 0.00 -0.27 0.00 0.00 62.75 62.25 3kvv n ILE 220 Cb 0.44 0.45 -0.07 0.00 -1.74 0.00 0.00 39.64 38.72 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 -2.74 0.11 -0.15 7.28 0.11 -1.23 -4.95 120.40 118.82 3kvv s VAL 221 Ca -0.02 -0.87 -0.00 0.00 -2.93 0.00 0.00 61.98 58.16 3kvv s VAL 221 Cb 0.09 -1.10 0.03 0.00 -1.53 0.00 0.00 36.38 33.87 3kvv s VAL 221 CO 0.57 -0.48 -0.08 0.21 -3.33 0.00 0.00 175.10 171.99 3kvv s ASN 222 N -2.45 2.65 0.17 3.54 3.84 -1.26 -0.99 114.94 120.44 3kvv s ASN 222 Ca -0.00 -0.54 0.18 0.00 0.21 0.00 0.00 52.86 52.70 3kvv s ASN 222 Cb 0.01 -0.96 0.80 0.00 -0.55 0.00 0.00 41.25 40.56 3kvv s ASN 222 CO -0.07 -0.14 1.55 0.54 -2.79 0.00 0.00 177.10 176.18 3kvv n ARG 223 N 4.87 0.11 -0.00 0.43 5.12 -0.37 -2.75 116.66 124.06 3kvv n ARG 223 Ca -0.13 0.42 0.08 0.00 -1.93 0.00 0.00 57.85 56.29 3kvv n ARG 223 Cb 0.49 -1.74 -0.11 0.00 -1.16 0.00 0.00 32.46 29.94 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 -1.95 0.00 0.00 0.55 -2.24 -1.26 -5.08 114.28 104.30 3kvv n THR 224 Ca 0.02 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 3kvv n THR 224 Cb 0.15 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 69.05 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 -1.65 0.00 0.00 -0.78 6.02 -1.11 -4.99 117.38 114.87 3kvv n GLN 225 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 3kvv n GLN 225 Cb 0.33 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.59 3kvv n GLN 225 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kvv n GLN 236 N 0.00 0.00 0.13 -1.09 -0.00 -1.26 -4.93 117.38 110.22 3kvv n GLN 236 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 57.00 56.76 3kvv n GLN 236 Cb 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 30.24 30.08 3kvv n GLN 236 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.06 178.21 3kvv h THR 237 N 0.00 1.20 -0.60 -0.39 2.02 -1.95 -2.88 112.91 110.31 3kvv h THR 237 Ca 0.00 -2.64 0.04 0.00 0.77 0.00 0.00 66.41 64.57 3kvv h THR 237 Cb 0.00 2.98 -0.04 0.00 -1.74 0.00 0.00 68.15 69.35 3kvv h THR 237 CO 0.00 0.82 0.35 -0.08 0.37 0.00 0.00 175.52 176.97 3kvv h GLU 238 N 0.11 0.65 -0.74 6.66 4.81 -1.96 -1.39 114.58 122.73 3kvv h GLU 238 Ca -0.28 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 58.86 3kvv h GLU 238 Cb 2.13 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 31.34 3kvv h GLU 238 CO 0.25 0.43 0.24 0.77 -0.73 0.00 0.00 179.01 179.97 3kvv h SER 239 N 0.67 1.06 -0.14 1.04 0.02 -2.00 -0.00 113.55 114.20 3kvv h SER 239 Ca 0.25 -0.19 0.05 0.00 -0.84 0.00 0.00 61.79 61.05 3kvv h SER 239 Cb 0.08 -0.28 -0.05 0.00 0.14 0.00 0.00 62.40 62.29 3kvv h SER 239 CO -0.13 0.98 -0.20 -0.74 -1.14 0.00 0.00 176.83 175.60 3kvv h HIS 240 N 1.09 -0.53 -0.58 3.45 2.76 -1.23 -0.93 115.15 119.18 3kvv h HIS 240 Ca 0.24 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.37 3kvv h HIS 240 Cb 0.29 0.25 -0.02 0.00 1.55 0.00 0.00 27.41 29.48 3kvv h HIS 240 CO 0.02 -0.28 0.11 0.00 -1.30 0.00 0.00 177.93 176.48 3kvv h ALA 241 N 0.76 0.77 -0.31 5.26 0.00 -0.78 -2.04 119.26 122.91 3kvv h ALA 241 Ca 0.10 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3kvv h ALA 241 Cb 0.40 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3kvv h ALA 241 CO -0.29 0.50 0.20 0.28 0.00 0.00 0.00 179.25 179.95 3kvv h VAL 242 N 0.85 1.07 -0.80 0.00 2.07 -0.91 -0.37 116.25 118.16 3kvv h VAL 242 Ca 0.18 -0.14 0.09 0.00 0.82 0.00 0.00 66.70 67.65 3kvv h VAL 242 Cb 0.40 0.62 -0.07 0.00 -1.52 0.00 0.00 31.29 30.71 3kvv h VAL 242 CO 0.01 0.08 0.45 0.50 0.02 0.00 0.00 177.57 178.62 3kvv h LYS 243 N 0.41 0.73 -0.32 1.57 1.63 -0.95 -1.83 116.57 117.81 3kvv h LYS 243 Ca 0.12 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 59.84 3kvv h LYS 243 Cb -0.04 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.41 3kvv h LYS 243 CO -0.03 0.48 0.06 0.82 -3.45 0.00 0.00 179.45 177.33 3kvv h ILE 244 N 0.75 1.23 -0.36 2.00 2.04 -0.77 -1.74 117.51 120.66 3kvv h ILE 244 Ca 0.39 -0.78 -0.08 0.00 1.00 0.00 0.00 64.86 65.39 3kvv h ILE 244 Cb 0.37 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 3kvv h ILE 244 CO -0.25 0.26 -0.11 1.62 0.00 0.00 0.00 178.15 179.66 3kvv h VAL 245 N 0.35 1.24 -0.28 1.67 3.04 -0.70 -0.54 116.25 121.03 3kvv h VAL 245 Ca 0.10 -1.09 -0.05 0.00 -1.01 0.00 0.00 66.70 64.65 3kvv h VAL 245 Cb 0.32 1.09 -0.01 0.00 -2.01 0.00 0.00 31.29 30.69 3kvv h VAL 245 CO 0.00 0.36 -0.01 0.58 -1.01 0.00 0.00 177.57 177.50 3kvv h VAL 246 N 0.58 1.26 -0.74 1.51 2.07 -1.27 -1.06 116.25 118.60 3kvv h VAL 246 Ca 0.10 -0.95 -0.04 0.00 0.82 0.00 0.00 66.70 66.63 3kvv h VAL 246 Cb 0.54 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 3kvv h VAL 246 CO 0.03 0.30 0.29 -0.08 0.02 0.00 0.00 177.57 178.14 3kvv h GLU 247 N 0.29 1.10 -0.74 1.57 4.57 -1.08 -1.81 114.58 118.47 3kvv h GLU 247 Ca 0.08 -0.19 -0.04 0.00 -1.18 0.00 0.00 59.36 58.03 3kvv h GLU 247 Cb 0.44 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.82 3kvv h GLU 247 CO 0.02 0.89 0.32 0.00 -1.18 0.00 0.00 179.01 179.06 3kvv h ALA 248 N 1.24 0.96 -0.74 2.92 0.00 -0.97 -2.27 119.26 120.40 3kvv h ALA 248 Ca 0.25 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 55.06 3kvv h ALA 248 Cb 0.21 -0.29 -0.07 0.00 0.00 0.00 0.00 17.79 17.64 3kvv h ALA 248 CO -0.02 0.56 0.41 0.00 0.00 0.00 0.00 179.25 180.20 3kvv h ALA 249 N 1.16 1.03 -0.95 0.00 0.00 -0.73 -1.92 119.26 117.85 3kvv h ALA 249 Ca 0.25 0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.29 3kvv h ALA 249 Cb 0.18 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.79 3kvv h ALA 249 CO -0.02 0.05 0.61 0.00 0.00 0.00 0.00 179.25 179.88 3kvv h ARG 250 N 0.71 0.95 0.00 0.00 3.08 -0.75 -0.07 114.38 118.30 3kvv h ARG 250 Ca 0.35 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.34 3kvv h ARG 250 Cb 0.30 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.13 3kvv h ARG 250 CO -0.23 0.63 0.00 0.54 -1.07 0.00 0.00 179.97 179.84 3kvv n ARG 251 N -4.54 0.13 0.00 0.04 1.74 -0.75 -3.31 116.66 109.97 3kvv n ARG 251 Ca 0.16 0.22 0.07 0.00 -0.77 0.00 0.00 57.85 57.54 3kvv n ARG 251 Cb 0.29 -1.69 0.02 0.00 -1.02 0.00 0.00 32.46 30.06 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 -1.93 1.79 0.00 0.55 4.77 -0.08 -5.06 117.00 117.04 3kvv n LEU 252 Ca 0.05 -0.85 0.08 0.00 -0.03 0.00 0.00 56.01 55.25 3kvv n LEU 252 Cb 0.31 0.00 0.47 0.00 -2.33 0.00 0.00 43.42 41.87 3kvv n LEU 252 CO 0.24 0.34 0.68 0.18 -1.33 0.00 0.00 177.39 177.49