#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kvv s SER 4 N 0.00 -0.52 0.00 3.14 0.15 -1.26 -4.53 113.70 110.68 3kvv s SER 4 Ca 0.00 0.99 0.27 0.00 0.70 0.00 0.00 55.95 57.91 3kvv s SER 4 Cb 0.00 1.02 0.86 0.00 -1.71 0.00 0.00 66.02 66.19 3kvv s SER 4 CO 0.00 -0.17 1.65 0.47 1.20 0.00 0.00 173.24 176.39 3kvv n ASP 5 N 2.38 0.36 -4.25 5.45 8.00 0.64 -4.92 116.55 124.21 3kvv n ASP 5 Ca -0.13 -0.09 -0.14 0.00 0.71 0.00 0.00 54.79 55.13 3kvv n ASP 5 Cb 0.56 -0.04 -0.10 0.00 -0.02 0.00 0.00 41.12 41.51 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 -2.90 1.18 0.16 2.53 -7.23 -1.23 -5.05 120.40 107.86 3kvv s VAL 6 Ca 0.15 -2.04 -0.05 0.00 -1.81 0.00 0.00 61.98 58.23 3kvv s VAL 6 Cb 0.18 -1.82 -0.11 0.00 0.56 0.00 0.00 36.38 35.19 3kvv s VAL 6 CO 0.60 -0.72 1.41 0.15 -0.31 0.00 0.00 175.10 176.23 3kvv h PHE 7 N 2.83 0.74 0.00 2.82 3.57 -1.95 -3.38 116.94 121.56 3kvv h PHE 7 Ca -0.37 -0.31 -0.20 0.00 3.53 0.00 0.00 57.97 60.62 3kvv h PHE 7 Cb 1.19 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.78 3kvv h PHE 7 CO 0.65 1.08 -1.77 0.72 -2.23 0.00 0.00 178.31 176.77 3kvv n HIS 8 N -3.89 0.00 0.22 0.41 8.25 -1.26 -4.74 115.22 114.20 3kvv n HIS 8 Ca -0.05 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.52 3kvv n HIS 8 Cb 0.69 -0.52 0.29 0.00 1.12 0.00 0.00 29.99 31.57 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 -0.96 2.41 3.38 -1.92 -3.44 115.31 114.77 3kvv h LEU 9 Ca -0.30 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.46 3kvv h LEU 9 Cb 1.51 0.00 0.07 0.00 0.09 0.00 0.00 40.66 42.33 3kvv h LEU 9 CO -0.04 0.14 -0.35 0.61 0.09 0.00 0.00 178.44 178.89 3kvv n GLY 10 N 0.75 0.17 3.19 0.83 0.00 -1.26 -4.69 105.19 104.18 3kvv n GLY 10 Ca 0.02 -0.19 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 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 -4.26 2.23 0.18 0.99 1.43 -1.26 -4.81 118.68 113.18 3kvv s LEU 11 Ca 0.29 -0.56 0.08 0.00 -1.03 0.00 0.00 54.13 52.90 3kvv s LEU 11 Cb -0.13 -0.65 -0.04 0.00 0.03 0.00 0.00 46.19 45.40 3kvv s LEU 11 CO 0.38 0.01 -0.01 0.42 0.23 0.00 0.00 176.35 177.37 3kvv s THR 12 N -1.06 3.64 0.26 5.49 -4.23 -1.26 -0.26 115.64 118.22 3kvv s THR 12 Ca 0.02 -1.50 -0.02 0.00 -1.18 0.00 0.00 61.69 59.00 3kvv s THR 12 Cb -0.09 -2.84 0.26 0.00 1.34 0.00 0.00 72.50 71.17 3kvv s THR 12 CO 0.02 -0.14 1.87 0.50 -0.54 0.00 0.00 174.62 176.33 3kvv h LYS 13 N 2.63 1.08 -0.26 3.99 3.64 -1.94 -1.66 116.57 124.05 3kvv h LYS 13 Ca -0.47 -0.06 0.06 0.00 -1.27 0.00 0.00 60.65 58.91 3kvv h LYS 13 Cb 1.21 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.77 3kvv h LYS 13 CO 0.58 0.71 0.18 -0.91 -2.27 0.00 0.00 179.45 177.74 3kvv h ASN 14 N 1.11 0.07 -0.20 4.20 2.35 -1.96 -1.44 115.58 119.71 3kvv h ASN 14 Ca 0.43 0.00 0.06 0.00 -0.55 0.00 0.00 56.30 56.24 3kvv h ASN 14 Cb 0.21 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 3kvv h ASN 14 CO -0.19 0.05 0.15 0.44 -1.65 0.00 0.00 177.43 176.23 3kvv h ASP 15 N 0.08 0.00 1.43 5.81 3.32 -1.71 -2.23 116.42 123.12 3kvv h ASP 15 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3kvv h ASP 15 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 3kvv h ASP 15 CO -0.01 0.00 0.00 -0.07 -1.72 0.00 0.00 179.24 177.44 3kvv h LEU 16 N 0.00 0.00 -0.08 1.55 3.38 -1.35 -3.47 115.31 115.33 3kvv h LEU 16 Ca 0.10 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.64 3kvv h LEU 16 Cb 0.40 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3kvv h LEU 16 CO -0.00 0.00 -0.66 0.00 0.09 0.00 0.00 178.44 177.87 3kvv n GLN 17 N -2.54 -4.98 -0.78 1.13 6.02 -0.84 -1.75 117.38 113.64 3kvv n GLN 17 Ca 0.04 0.65 0.00 0.00 -0.01 0.00 0.00 57.00 57.68 3kvv n GLN 17 Cb 0.41 -5.50 0.00 0.00 1.02 0.00 0.00 30.24 26.17 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 -1.53 0.73 3.73 1.08 0.00 -1.26 -4.71 105.19 103.22 3kvv n GLY 18 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 0.33 1.87 -0.13 4.61 0.00 -0.72 -4.89 120.51 121.59 3kvv n ALA 19 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.81 3kvv n ALA 19 Cb 0.00 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.09 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 1.12 0.00 -4.85 0.00 -2.24 -1.26 -4.34 114.28 102.71 3kvv n THR 20 Ca 0.06 -0.44 -0.25 0.00 -2.27 0.00 0.00 64.05 61.16 3kvv n THR 20 Cb 0.36 1.13 -0.15 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 -0.00 2.03 -0.03 3.22 0.20 -1.26 -0.65 118.68 122.18 3kvv s LEU 21 Ca 0.00 -0.32 0.03 0.00 0.69 0.00 0.00 54.13 54.53 3kvv s LEU 21 Cb 0.00 -0.91 0.01 0.00 -0.43 0.00 0.00 46.19 44.85 3kvv s LEU 21 CO 0.00 0.22 -0.10 0.00 -0.29 0.00 0.00 176.35 176.17 3kvv s ALA 22 N -0.40 0.98 -0.12 5.97 0.00 -0.40 -1.42 121.76 126.37 3kvv s ALA 22 Ca 0.07 -0.36 -0.19 0.00 0.00 0.00 0.00 51.96 51.47 3kvv s ALA 22 Cb -0.07 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 3kvv s ALA 22 CO -0.01 0.14 0.51 0.42 0.00 0.00 0.00 175.76 176.83 3kvv s ILE 23 N 0.29 5.16 -0.52 0.00 1.01 0.17 -1.32 121.20 126.00 3kvv s ILE 23 Ca -0.05 1.02 0.03 0.00 0.00 0.00 0.00 60.65 61.65 3kvv s ILE 23 Cb -0.10 -3.85 0.14 0.00 0.01 0.00 0.00 42.46 38.66 3kvv s ILE 23 CO 0.01 0.30 0.29 0.68 0.00 0.00 0.00 174.94 176.23 3kvv s VAL 24 N 0.72 2.13 0.74 2.92 -7.23 0.32 -1.75 120.40 118.26 3kvv s VAL 24 Ca 0.27 -3.17 -0.11 0.00 -1.81 0.00 0.00 61.98 57.16 3kvv s VAL 24 Cb -0.15 -2.47 0.03 0.00 0.56 0.00 0.00 36.38 34.35 3kvv s VAL 24 CO 0.11 -0.88 1.07 -2.16 -0.31 0.00 0.00 175.10 172.93 3kvv s PRO 25 N -0.23 2.57 0.05 4.82 0.04 -1.24 -3.36 135.00 137.64 3kvv s PRO 25 Ca 0.19 0.98 -0.17 0.00 0.04 0.00 0.00 61.00 62.04 3kvv s PRO 25 Cb -0.21 -1.95 -0.20 0.00 0.04 0.00 0.00 34.50 32.18 3kvv s PRO 25 CO -0.03 -1.37 1.20 0.78 0.04 0.00 0.00 177.00 177.62 3kvv h GLY 26 N -0.92 0.65 -6.51 0.56 0.00 -1.84 -1.84 103.07 93.16 3kvv h GLY 26 Ca -0.44 -1.01 -0.61 0.00 0.00 0.00 0.00 47.33 45.27 3kvv h GLY 26 CO 0.55 0.89 0.11 -0.35 0.00 0.00 0.00 176.54 177.75 3kvv s ASP 27 N -6.90 6.55 0.53 0.19 -1.08 -1.26 -1.56 116.67 113.13 3kvv s ASP 27 Ca -0.12 0.67 0.28 0.00 -0.52 0.00 0.00 52.55 52.86 3kvv s ASP 27 Cb 0.06 -2.32 1.42 0.00 -1.46 0.00 0.00 42.92 40.62 3kvv s ASP 27 CO 0.86 -0.34 1.92 -0.65 0.52 0.00 0.00 175.17 177.48 3kvv h PRO 28 N 7.90 0.03 0.00 4.34 0.11 -1.87 -0.25 132.00 142.26 3kvv h PRO 28 Ca -0.28 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3kvv h PRO 28 Cb 1.13 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3kvv h PRO 28 CO 0.76 0.02 0.00 -0.25 -0.21 0.00 0.00 178.00 178.32 3kvv n ASP 29 N -4.32 0.00 -0.20 -2.05 9.92 -1.26 -2.68 116.55 115.96 3kvv n ASP 29 Ca 0.16 0.41 0.12 0.00 -0.53 0.00 0.00 54.79 54.95 3kvv n ASP 29 Cb 0.83 -0.47 0.21 0.00 -0.64 0.00 0.00 41.12 41.05 3kvv n ASP 29 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 3kvv n ARG 30 N -1.47 0.58 0.08 -1.24 0.63 -0.11 -4.48 116.66 110.65 3kvv n ARG 30 Ca 0.07 -0.39 -0.13 0.00 -0.92 0.00 0.00 57.85 56.48 3kvv n ARG 30 Cb 0.30 -1.49 -0.08 0.00 0.45 0.00 0.00 32.46 31.64 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 0.96 0.98 -0.65 5.15 2.07 -1.58 -2.33 116.25 120.86 3kvv h VAL 31 Ca 0.00 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 66.90 3kvv h VAL 31 Cb 0.55 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 3kvv h VAL 31 CO 0.00 0.14 0.41 -0.08 0.02 0.00 0.00 177.57 178.06 3kvv h GLU 32 N -0.50 0.86 -0.59 1.57 4.81 -1.79 -1.25 114.58 117.69 3kvv h GLU 32 Ca -0.02 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 3kvv h GLU 32 Cb 0.39 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 3kvv h GLU 32 CO 0.03 0.59 0.38 0.87 -0.73 0.00 0.00 179.01 180.15 3kvv h LYS 33 N 0.88 0.80 -0.26 1.92 1.57 -1.76 0.27 116.57 119.99 3kvv h LYS 33 Ca 0.23 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.86 3kvv h LYS 33 Cb -0.07 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 3kvv h LYS 33 CO -0.05 0.55 -0.21 0.82 -0.57 0.00 0.00 179.45 180.00 3kvv h ILE 34 N 0.80 1.31 -0.82 1.86 2.04 -0.94 -3.16 117.51 118.60 3kvv h ILE 34 Ca 0.22 -1.35 -0.01 0.00 1.00 0.00 0.00 64.86 64.72 3kvv h ILE 34 Cb -0.05 1.60 -0.04 0.00 -0.74 0.00 0.00 36.82 37.59 3kvv h ILE 34 CO -0.04 0.42 0.48 0.00 0.00 0.00 0.00 178.15 179.01 3kvv h ALA 35 N 0.70 1.29 0.00 1.87 0.00 -0.98 -1.84 119.26 120.31 3kvv h ALA 35 Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3kvv h ALA 35 Cb 0.75 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3kvv h ALA 35 CO 0.05 0.59 0.00 0.00 0.00 0.00 0.00 179.25 179.90 3kvv n ALA 36 N -2.41 1.16 0.65 0.00 0.00 0.06 -0.85 120.51 119.12 3kvv n ALA 36 Ca 0.09 0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.69 3kvv n ALA 36 Cb 0.08 -1.12 0.45 0.00 0.00 0.00 0.00 19.45 18.86 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 -1.68 0.65 0.00 0.00 7.99 -0.69 -4.91 117.00 118.36 3kvv n LEU 37 Ca 0.00 0.57 -0.17 0.00 -0.01 0.00 0.00 56.01 56.41 3kvv n LEU 37 Cb 0.05 -0.39 -0.02 0.00 -0.11 0.00 0.00 43.42 42.95 3kvv n LEU 37 CO 0.05 -0.20 -0.07 0.23 -1.51 0.00 0.00 177.39 175.89 3kvv n MET 38 N -2.12 1.23 -3.50 3.23 2.81 -0.03 -5.12 117.12 113.61 3kvv n MET 38 Ca 0.05 -1.97 -0.34 0.00 -1.81 0.00 0.00 57.70 53.63 3kvv n MET 38 Cb 0.38 0.42 -0.05 0.00 -0.71 0.00 0.00 33.22 33.26 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 -2.61 6.66 -1.36 7.83 1.01 0.21 -4.44 116.67 123.97 3kvv s ASP 39 Ca 0.06 0.86 -0.03 0.00 0.71 0.00 0.00 52.55 54.15 3kvv s ASP 39 Cb -0.00 -2.20 -0.00 0.00 1.01 0.00 0.00 42.92 41.72 3kvv s ASP 39 CO 0.04 0.09 0.49 0.29 0.21 0.00 0.00 175.17 176.28 3kvv n LYS 40 N 0.56 -3.20 -2.43 8.23 5.02 -1.26 0.54 118.16 125.62 3kvv n LYS 40 Ca -0.05 0.43 -0.42 0.00 -2.02 0.00 0.00 58.31 56.25 3kvv n LYS 40 Cb 0.52 -4.52 -0.03 0.00 -0.02 0.00 0.00 35.03 30.97 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 -6.44 4.48 -0.01 1.97 0.04 -1.26 -4.42 135.00 129.36 3kvv s PRO 41 Ca 0.06 1.78 0.01 0.00 0.04 0.00 0.00 61.00 62.89 3kvv s PRO 41 Cb -0.02 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.22 3kvv s PRO 41 CO 0.88 -0.14 -0.02 0.54 0.04 0.00 0.00 177.00 178.30 3kvv s VAL 42 N 0.49 0.16 0.15 -0.36 0.11 0.35 -4.99 120.40 116.30 3kvv s VAL 42 Ca 0.55 -0.05 -0.31 0.00 -2.93 0.00 0.00 61.98 59.24 3kvv s VAL 42 Cb -0.30 -0.16 -0.08 0.00 -1.53 0.00 0.00 36.38 34.30 3kvv s VAL 42 CO 0.32 0.06 1.35 -0.75 -3.33 0.00 0.00 175.10 172.76 3kvv s LYS 43 N 0.14 4.35 -0.26 1.54 2.20 -1.26 -0.76 119.74 125.69 3kvv s LYS 43 Ca -0.01 2.06 -0.10 0.00 -0.36 0.00 0.00 55.97 57.56 3kvv s LYS 43 Cb -0.03 -3.23 -0.15 0.00 -1.51 0.00 0.00 37.83 32.92 3kvv s LYS 43 CO -0.00 -0.36 -0.24 1.28 -0.36 0.00 0.00 175.35 175.67 3kvv n LEU 44 N 3.40 2.24 -3.46 5.43 4.77 0.25 -4.90 117.00 124.74 3kvv n LEU 44 Ca 0.09 0.22 -0.11 0.00 -0.03 0.00 0.00 56.01 56.18 3kvv n LEU 44 Cb 0.43 -0.87 -0.02 0.00 -2.33 0.00 0.00 43.42 40.62 3kvv n LEU 44 CO 0.58 0.65 0.51 0.00 -1.33 0.00 0.00 177.39 177.80 3kvv s ALA 45 N -2.50 -1.69 -0.20 -1.18 0.00 -1.04 -5.01 121.76 110.15 3kvv s ALA 45 Ca -0.36 0.72 -0.04 0.00 0.00 0.00 0.00 51.96 52.28 3kvv s ALA 45 Cb 0.12 0.66 0.10 0.00 0.00 0.00 0.00 23.12 24.00 3kvv s ALA 45 CO 0.54 -0.72 0.27 0.45 0.00 0.00 0.00 175.76 176.30 3kvv s SER 46 N -2.56 0.90 -0.04 0.00 0.15 -1.26 -1.03 113.70 109.87 3kvv s SER 46 Ca 0.02 0.04 -0.02 0.00 0.70 0.00 0.00 55.95 56.69 3kvv s SER 46 Cb -0.01 0.63 0.02 0.00 -1.71 0.00 0.00 66.02 64.96 3kvv s SER 46 CO -0.10 -0.30 0.08 -1.00 1.20 0.00 0.00 173.24 173.11 3kvv s HIS 47 N 2.40 -0.07 0.00 3.44 3.76 -0.59 -5.00 115.29 119.23 3kvv s HIS 47 Ca 0.07 0.25 0.00 0.00 -0.15 0.00 0.00 55.06 55.24 3kvv s HIS 47 Cb -0.15 -0.10 0.00 0.00 1.11 0.00 0.00 32.58 33.44 3kvv s HIS 47 CO -0.12 -0.09 0.00 0.54 -0.85 0.00 0.00 174.74 174.21 3kvv n ARG 48 N 3.79 0.00 -0.05 1.40 1.74 -1.26 -0.80 116.66 121.48 3kvv n ARG 48 Ca -0.22 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 56.94 3kvv n ARG 48 Cb 0.54 0.00 0.34 0.00 -1.02 0.00 0.00 32.46 32.32 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 1.36 -3.37 5.56 0.00 -1.26 -4.71 120.64 132.22 3kvv n GLU 49 Ca 0.00 -0.55 -0.45 0.00 0.00 0.00 0.00 57.16 56.17 3kvv n GLU 49 Cb 0.00 -1.27 -0.06 0.00 0.00 0.00 0.00 31.44 30.11 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 -1.86 3.29 -0.17 -1.84 0.40 0.02 -3.92 117.98 113.91 3kvv s PHE 50 Ca 0.24 -1.40 -0.05 0.00 -0.60 0.00 0.00 56.93 55.12 3kvv s PHE 50 Cb 0.12 -3.68 -0.03 0.00 0.51 0.00 0.00 43.02 39.94 3kvv s PHE 50 CO 0.18 -1.00 -0.01 0.99 0.70 0.00 0.00 175.22 176.09 3kvv s THR 51 N 1.55 4.12 -0.08 0.64 2.01 -1.26 -1.54 115.64 121.09 3kvv s THR 51 Ca 0.04 -0.27 0.03 0.00 0.31 0.00 0.00 61.69 61.80 3kvv s THR 51 Cb -0.29 -2.83 0.00 0.00 0.01 0.00 0.00 72.50 69.40 3kvv s THR 51 CO 0.02 0.48 -0.18 -0.89 -0.69 0.00 0.00 174.62 173.36 3kvv s THR 52 N 0.44 1.59 0.15 -0.82 2.01 -0.19 -1.78 115.64 117.03 3kvv s THR 52 Ca -0.02 -0.76 0.09 0.00 0.31 0.00 0.00 61.69 61.32 3kvv s THR 52 Cb -0.14 -1.39 -0.04 0.00 0.01 0.00 0.00 72.50 70.94 3kvv s THR 52 CO 0.02 0.46 -0.22 0.26 -0.69 0.00 0.00 174.62 174.45 3kvv s TRP 53 N 0.40 2.00 0.06 4.92 0.52 0.27 -0.58 118.94 126.52 3kvv s TRP 53 Ca -0.14 -0.41 0.07 0.00 0.02 0.00 0.00 56.10 55.63 3kvv s TRP 53 Cb -0.16 -1.04 -0.04 0.00 -1.15 0.00 0.00 33.47 31.09 3kvv s TRP 53 CO 0.06 0.33 -0.14 0.50 0.02 0.00 0.00 176.95 177.72 3kvv s ARG 54 N -2.37 2.14 0.20 4.98 3.52 0.06 -0.84 118.95 126.64 3kvv s ARG 54 Ca 0.14 -0.96 -0.02 0.00 -0.13 0.00 0.00 55.73 54.75 3kvv s ARG 54 Cb -0.08 -2.27 0.01 0.00 -1.56 0.00 0.00 34.95 31.05 3kvv s ARG 54 CO 0.07 0.54 0.31 0.00 -0.81 0.00 0.00 175.30 175.40 3kvv n ALA 55 N 1.28 -0.33 -3.13 6.12 0.00 -0.70 -0.50 120.51 123.25 3kvv n ALA 55 Ca -0.15 -0.89 -0.24 0.00 0.00 0.00 0.00 53.44 52.15 3kvv n ALA 55 Cb 0.52 0.72 -0.16 0.00 0.00 0.00 0.00 19.45 20.53 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 -2.39 1.57 -0.13 0.00 2.12 0.19 -0.79 118.70 119.28 3kvv s GLU 56 Ca 0.15 -0.47 0.00 0.00 0.36 0.00 0.00 54.97 55.01 3kvv s GLU 56 Cb -0.01 -1.35 0.02 0.00 0.26 0.00 0.00 34.13 33.05 3kvv s GLU 56 CO 0.11 0.14 -0.11 -1.17 -0.54 0.00 0.00 175.26 173.69 3kvv s LEU 57 N 0.30 1.44 -1.50 2.70 2.96 0.26 -0.62 118.68 124.21 3kvv s LEU 57 Ca -0.08 -0.39 -0.14 0.00 -0.22 0.00 0.00 54.13 53.30 3kvv s LEU 57 Cb -0.12 -1.01 0.11 0.00 0.50 0.00 0.00 46.19 45.67 3kvv s LEU 57 CO 0.02 -0.08 0.73 0.47 -1.32 0.00 0.00 176.35 176.17 3kvv n ASP 58 N 4.82 -3.93 0.00 3.68 10.43 -1.26 -0.98 116.55 129.31 3kvv n ASP 58 Ca -0.15 -0.71 0.00 0.00 2.57 0.00 0.00 54.79 56.50 3kvv n ASP 58 Cb 0.50 -3.20 0.00 0.00 1.84 0.00 0.00 41.12 40.26 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 -1.39 0.64 3.45 0.44 0.00 -1.26 -5.03 105.19 102.04 3kvv n GLY 59 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.08 2.76 0.32 1.61 -0.14 -0.16 -5.07 119.74 118.98 3kvv s LYS 60 Ca 0.00 -0.69 -0.29 0.00 -1.36 0.00 0.00 55.97 53.63 3kvv s LYS 60 Cb 0.00 -2.45 -0.10 0.00 -1.68 0.00 0.00 37.83 33.59 3kvv s LYS 60 CO 0.00 0.51 1.39 -1.25 -0.76 0.00 0.00 175.35 175.23 3kvv s PRO 61 N -0.42 4.27 0.03 -1.68 0.04 -1.26 -0.58 135.00 135.41 3kvv s PRO 61 Ca 0.05 2.32 0.01 0.00 0.04 0.00 0.00 61.00 63.42 3kvv s PRO 61 Cb -0.12 -3.06 -0.02 0.00 0.04 0.00 0.00 34.50 31.34 3kvv s PRO 61 CO 0.02 -0.33 -0.05 0.08 0.04 0.00 0.00 177.00 176.75 3kvv s VAL 62 N -0.80 0.34 -0.03 -0.36 1.01 0.03 -4.36 120.40 116.22 3kvv s VAL 62 Ca 0.53 -1.05 0.02 0.00 0.00 0.00 0.00 61.98 61.48 3kvv s VAL 62 Cb -0.42 -0.51 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 3kvv s VAL 62 CO 0.52 -0.47 -0.08 -0.63 0.00 0.00 0.00 175.10 174.44 3kvv s ILE 63 N -1.57 3.60 -0.15 2.22 -1.09 -0.51 -1.72 121.20 121.98 3kvv s ILE 63 Ca -0.12 -0.65 0.02 0.00 -2.23 0.00 0.00 60.65 57.67 3kvv s ILE 63 Cb -0.09 -2.51 0.01 0.00 -1.58 0.00 0.00 42.46 38.30 3kvv s ILE 63 CO -0.01 0.50 -0.21 -0.69 -1.23 0.00 0.00 174.94 173.31 3kvv s VAL 64 N -0.89 2.12 -0.08 2.92 1.01 -0.02 -0.65 120.40 124.82 3kvv s VAL 64 Ca 0.14 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 61.14 3kvv s VAL 64 Cb -0.11 -1.86 0.04 0.00 0.00 0.00 0.00 36.38 34.45 3kvv s VAL 64 CO 0.04 0.54 0.16 0.00 0.00 0.00 0.00 175.10 175.84 3kvv s SER 66 N 1.67 6.88 -0.01 0.00 1.04 -0.73 -3.68 113.70 118.87 3kvv s SER 66 Ca -0.04 1.77 0.18 0.00 0.48 0.00 0.00 55.95 58.33 3kvv s SER 66 Cb -0.12 -2.55 -0.23 0.00 0.10 0.00 0.00 66.02 63.22 3kvv s SER 66 CO -0.06 -0.40 0.58 0.35 0.98 0.00 0.00 173.24 174.69 3kvv n THR 67 N -0.51 0.00 -0.40 2.02 -2.24 -0.69 -4.38 114.28 108.07 3kvv n THR 67 Ca 0.07 -0.24 0.05 0.00 -2.27 0.00 0.00 64.05 61.66 3kvv n THR 67 Cb 0.53 0.57 -0.01 0.00 -2.10 0.00 0.00 70.33 69.31 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 1.44 -1.49 3.73 3.38 0.00 -0.60 -3.11 105.19 108.53 3kvv n GLY 68 Ca 0.00 -1.43 -0.41 0.00 0.00 0.00 0.00 46.02 44.19 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 -1.41 4.81 0.00 -0.61 1.01 -1.26 -4.70 121.20 119.04 3kvv s ILE 69 Ca 0.00 1.76 0.00 0.00 0.00 0.00 0.00 60.65 62.41 3kvv s ILE 69 Cb 0.00 -4.18 0.00 0.00 0.01 0.00 0.00 42.46 38.29 3kvv s ILE 69 CO 0.00 0.27 0.00 0.61 0.00 0.00 0.00 174.94 175.82 3kvv n GLY 70 N 2.68 2.47 0.37 6.18 0.00 -1.25 -4.61 105.19 111.03 3kvv n GLY 70 Ca 0.01 -1.75 0.07 0.00 0.00 0.00 0.00 46.02 44.34 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 1.41 0.88 -0.02 0.00 -1.86 -2.18 103.07 101.30 3kvv h GLY 71 Ca 0.00 -0.40 -0.00 0.00 0.00 0.00 0.00 47.33 46.93 3kvv h GLY 71 CO 0.00 0.21 0.01 -2.55 0.00 0.00 0.00 176.54 174.21 3kvv h PRO 72 N 0.95 0.04 -0.23 4.80 0.11 -1.93 0.29 132.00 136.02 3kvv h PRO 72 Ca 0.44 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 66.41 3kvv h PRO 72 Cb 0.40 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 3kvv h PRO 72 CO -0.20 0.15 -0.40 0.66 -0.21 0.00 0.00 178.00 177.99 3kvv h SER 73 N -0.08 0.58 -0.63 -2.05 4.64 -1.78 -2.52 113.55 111.70 3kvv h SER 73 Ca 0.01 -0.26 0.09 0.00 -0.47 0.00 0.00 61.79 61.17 3kvv h SER 73 Cb 0.12 -0.16 -0.07 0.00 -0.31 0.00 0.00 62.40 61.98 3kvv h SER 73 CO -0.00 0.92 0.26 0.74 -0.87 0.00 0.00 176.83 177.88 3kvv h THR 74 N 0.45 0.79 -0.40 2.95 2.02 -1.17 -1.70 112.91 115.85 3kvv h THR 74 Ca 0.04 -0.16 -0.06 0.00 0.77 0.00 0.00 66.41 67.01 3kvv h THR 74 Cb 0.90 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 3kvv h THR 74 CO 0.08 0.08 0.01 0.77 0.37 0.00 0.00 175.52 176.84 3kvv h SER 75 N 0.46 0.59 -0.03 4.18 4.64 -0.01 -0.54 113.55 122.83 3kvv h SER 75 Ca 0.32 -0.12 -0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3kvv h SER 75 Cb 0.37 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3kvv h SER 75 CO -0.29 0.65 0.01 0.40 -0.87 0.00 0.00 176.83 176.72 3kvv h ILE 76 N 0.59 1.19 -0.29 0.95 2.04 -1.12 -1.90 117.51 118.96 3kvv h ILE 76 Ca 0.13 -0.56 -0.00 0.00 1.00 0.00 0.00 64.86 65.42 3kvv h ILE 76 Cb 0.36 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 3kvv h ILE 76 CO 0.01 0.15 0.18 0.00 0.00 0.00 0.00 178.15 178.50 3kvv h ALA 77 N 0.78 0.37 -0.17 1.87 0.00 -0.82 -1.16 119.26 120.15 3kvv h ALA 77 Ca 0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3kvv h ALA 77 Cb 0.24 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3kvv h ALA 77 CO 0.00 -0.14 0.03 0.28 0.00 0.00 0.00 179.25 179.43 3kvv h VAL 78 N 0.38 1.21 -0.14 0.00 2.07 -1.16 0.45 116.25 119.07 3kvv h VAL 78 Ca 0.11 -0.68 0.04 0.00 0.82 0.00 0.00 66.70 66.99 3kvv h VAL 78 Cb -0.01 1.34 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 3kvv h VAL 78 CO -0.02 0.21 -0.10 -0.08 0.02 0.00 0.00 177.57 177.59 3kvv h GLU 79 N 0.07 -0.11 -0.12 1.57 4.57 -1.27 0.64 114.58 119.92 3kvv h GLU 79 Ca 0.05 0.01 -0.17 0.00 -1.18 0.00 0.00 59.36 58.07 3kvv h GLU 79 Cb 0.28 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 3kvv h GLU 79 CO 0.00 -0.07 -0.64 0.93 -1.18 0.00 0.00 179.01 178.05 3kvv h GLU 80 N -0.11 0.45 -0.77 1.92 5.08 -1.12 -0.59 114.58 119.44 3kvv h GLU 80 Ca 0.09 -0.32 -0.03 0.00 -1.00 0.00 0.00 59.36 58.09 3kvv h GLU 80 Cb 0.24 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.51 3kvv h GLU 80 CO -0.21 0.94 0.37 -0.07 -1.00 0.00 0.00 179.01 179.04 3kvv h LEU 81 N 0.33 1.01 -0.83 1.33 3.38 -0.82 -1.47 115.31 118.25 3kvv h LEU 81 Ca -0.01 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 3kvv h LEU 81 Cb 1.19 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.64 3kvv h LEU 81 CO 0.11 0.86 0.50 0.00 0.09 0.00 0.00 178.44 180.01 3kvv h ALA 82 N 1.19 1.05 -0.06 1.53 0.00 -0.36 -0.73 119.26 121.88 3kvv h ALA 82 Ca 0.26 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3kvv h ALA 82 Cb 0.12 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3kvv h ALA 82 CO -0.03 0.51 -0.10 1.96 0.00 0.00 0.00 179.25 181.60 3kvv h GLN 83 N 1.13 0.09 -0.04 0.00 4.20 -0.88 -1.78 115.11 117.85 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 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.72 3kvv h GLN 83 CO -0.06 0.20 0.00 1.28 -0.67 0.00 0.00 178.83 179.58 3kvv n LEU 84 N -4.37 0.56 0.00 1.46 4.77 -0.39 -4.91 117.00 114.12 3kvv n LEU 84 Ca -0.02 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 3kvv n LEU 84 Cb 0.20 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 3kvv n LEU 84 CO 0.36 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 3kvv n GLY 85 N 0.97 0.59 3.74 -0.72 0.00 -0.67 -4.82 105.19 104.29 3kvv n GLY 85 Ca 0.18 0.00 -0.42 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 2.82 0.00 -0.61 -1.09 -0.53 -4.60 121.20 115.19 3kvv s ILE 86 Ca 0.00 0.66 0.00 0.00 -2.23 0.00 0.00 60.65 59.08 3kvv s ILE 86 Cb 0.00 -3.42 0.00 0.00 -1.58 0.00 0.00 42.46 37.46 3kvv s ILE 86 CO 0.00 0.09 0.00 0.54 -1.23 0.00 0.00 174.94 174.34 3kvv n ARG 87 N 2.79 3.68 -4.52 2.79 5.12 0.18 -4.20 116.66 122.49 3kvv n ARG 87 Ca 0.08 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.76 3kvv n ARG 87 Cb 0.41 -0.68 -0.16 0.00 -1.16 0.00 0.00 32.46 30.86 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 -1.31 1.04 -0.09 0.55 2.01 -0.85 -1.04 115.64 115.95 3kvv s THR 88 Ca 0.00 -0.43 0.01 0.00 0.31 0.00 0.00 61.69 61.59 3kvv s THR 88 Cb 0.00 -0.96 0.02 0.00 0.01 0.00 0.00 72.50 71.57 3kvv s THR 88 CO 0.00 0.33 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.78 3kvv s PHE 89 N 0.66 1.58 -0.27 4.92 0.40 0.97 -1.27 117.98 124.97 3kvv s PHE 89 Ca -0.13 -0.67 0.02 0.00 -0.60 0.00 0.00 56.93 55.54 3kvv s PHE 89 Cb -0.15 -1.19 0.06 0.00 0.51 0.00 0.00 43.02 42.25 3kvv s PHE 89 CO 0.03 -0.38 -0.08 -0.51 0.70 0.00 0.00 175.22 174.98 3kvv s LEU 90 N 0.98 3.59 0.11 -0.37 1.43 -0.44 -1.53 118.68 122.45 3kvv s LEU 90 Ca -0.08 -1.41 -0.28 0.00 -1.03 0.00 0.00 54.13 51.33 3kvv s LEU 90 Cb -0.15 -1.58 -0.06 0.00 0.03 0.00 0.00 46.19 44.43 3kvv s LEU 90 CO -0.00 -0.21 0.87 -0.60 0.23 0.00 0.00 176.35 176.64 3kvv s ARG 91 N 1.12 4.63 -0.16 1.70 3.52 -0.61 -0.52 118.95 128.64 3kvv s ARG 91 Ca -0.08 1.29 0.01 0.00 -0.13 0.00 0.00 55.73 56.82 3kvv s ARG 91 Cb -0.20 -3.35 0.02 0.00 -1.56 0.00 0.00 34.95 29.87 3kvv s ARG 91 CO -0.04 0.32 -0.15 -1.50 -0.81 0.00 0.00 175.30 173.12 3kvv s ILE 92 N -0.30 1.65 0.32 4.11 -1.16 -1.21 -1.77 121.20 122.83 3kvv s ILE 92 Ca 0.42 -0.73 0.04 0.00 -0.51 0.00 0.00 60.65 59.87 3kvv s ILE 92 Cb -0.23 -1.56 -0.02 0.00 0.61 0.00 0.00 42.46 41.26 3kvv s ILE 92 CO 0.27 0.43 0.15 0.61 -2.81 0.00 0.00 174.94 173.60 3kvv n GLY 93 N 4.74 3.32 3.49 1.50 0.00 -0.43 -3.86 105.19 113.94 3kvv n GLY 93 Ca -0.17 -2.02 -0.29 0.00 0.00 0.00 0.00 46.02 43.54 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 -2.89 2.81 0.10 2.61 -4.23 -1.26 -1.80 115.64 110.97 3kvv s THR 94 Ca 0.21 -1.62 -0.14 0.00 -1.18 0.00 0.00 61.69 58.96 3kvv s THR 94 Cb 0.01 -2.31 0.02 0.00 1.34 0.00 0.00 72.50 71.56 3kvv s THR 94 CO 0.15 0.03 0.33 0.42 -0.54 0.00 0.00 174.62 175.01 3kvv s THR 95 N -1.32 0.09 -0.23 3.99 -4.23 -0.74 -4.84 115.64 108.36 3kvv s THR 95 Ca 0.19 -0.74 -0.08 0.00 -1.18 0.00 0.00 61.69 59.88 3kvv s THR 95 Cb -0.10 -1.17 -0.03 0.00 1.34 0.00 0.00 72.50 72.54 3kvv s THR 95 CO 0.11 -0.41 0.07 -0.83 -0.54 0.00 0.00 174.62 173.02 3kvv s GLY 96 N -2.67 1.81 0.45 3.99 0.00 -1.11 -1.27 107.32 108.52 3kvv s GLY 96 Ca 0.02 -1.02 -0.22 0.00 0.00 0.00 0.00 44.72 43.50 3kvv s GLY 96 CO -0.10 0.41 1.02 0.00 0.00 0.00 0.00 173.10 174.42 3kvv s ALA 97 N 1.29 2.97 -0.02 3.20 0.00 0.38 -1.22 121.76 128.36 3kvv s ALA 97 Ca 0.05 0.58 0.03 0.00 0.00 0.00 0.00 51.96 52.62 3kvv s ALA 97 Cb -0.15 -3.23 0.05 0.00 0.00 0.00 0.00 23.12 19.79 3kvv s ALA 97 CO 0.04 -0.16 0.93 0.44 0.00 0.00 0.00 175.76 177.01 3kvv n ILE 98 N -0.62 0.91 -4.71 0.00 -5.35 -0.19 -1.15 119.36 108.26 3kvv n ILE 98 Ca 0.07 -0.97 -0.33 0.00 -0.27 0.00 0.00 62.75 61.25 3kvv n ILE 98 Cb 0.52 0.47 -0.12 0.00 -1.74 0.00 0.00 39.64 38.77 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 -1.08 2.83 0.41 6.28 -1.52 -1.25 -4.81 119.66 120.52 3kvv s GLN 99 Ca 0.05 -0.61 0.08 0.00 -1.95 0.00 0.00 55.36 52.94 3kvv s GLN 99 Cb 0.05 -2.56 0.88 0.00 -0.22 0.00 0.00 33.01 31.17 3kvv s GLN 99 CO 0.01 0.56 2.04 -1.35 -0.25 0.00 0.00 175.29 176.30 3kvv h PRO 100 N 5.57 0.53 -0.00 2.91 0.11 -1.95 -2.72 132.00 136.45 3kvv h PRO 100 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3kvv h PRO 100 Cb 1.17 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3kvv h PRO 100 CO 0.53 0.35 -0.02 -2.39 -0.21 0.00 0.00 178.00 176.25 3kvv n HIS 101 N -4.47 0.00 -3.60 0.65 1.44 -1.26 -4.73 115.22 103.24 3kvv n HIS 101 Ca 0.05 0.00 -0.38 0.00 -2.01 0.00 0.00 57.72 55.38 3kvv n HIS 101 Cb 0.13 -0.15 -0.11 0.00 0.12 0.00 0.00 29.99 29.98 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 -2.32 5.25 0.20 0.61 1.01 -1.03 -5.07 121.20 119.84 3kvv s ILE 102 Ca 0.36 0.15 -0.01 0.00 0.00 0.00 0.00 60.65 61.15 3kvv s ILE 102 Cb 0.21 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 3kvv s ILE 102 CO 0.43 0.26 0.39 0.20 0.00 0.00 0.00 174.94 176.21 3kvv s ASN 103 N 1.73 6.38 0.18 3.58 0.01 -1.26 -4.87 114.94 120.69 3kvv s ASN 103 Ca 0.07 0.39 -0.32 0.00 -0.71 0.00 0.00 52.86 52.29 3kvv s ASN 103 Cb -0.16 -2.01 -0.11 0.00 0.41 0.00 0.00 41.25 39.39 3kvv s ASN 103 CO 0.10 -0.04 1.68 -0.69 -1.51 0.00 0.00 177.10 176.64 3kvv s VAL 104 N -1.87 2.30 0.00 1.60 1.01 -1.26 -1.25 120.40 120.92 3kvv s VAL 104 Ca 0.38 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.54 3kvv s VAL 104 Cb -0.11 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.15 3kvv s VAL 104 CO 0.29 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.01 3kvv n GLY 105 N 3.92 2.38 3.79 4.51 0.00 -0.38 -5.01 105.19 114.40 3kvv n GLY 105 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.41 5.07 -0.05 1.61 1.11 -0.38 -4.74 116.67 117.88 3kvv s ASP 106 Ca 0.00 1.76 0.05 0.00 0.18 0.00 0.00 52.55 54.54 3kvv s ASP 106 Cb 0.00 -2.52 -0.02 0.00 1.07 0.00 0.00 42.92 41.45 3kvv s ASP 106 CO 0.00 -1.65 -0.19 0.68 1.18 0.00 0.00 175.17 175.19 3kvv s VAL 107 N -2.84 2.65 -0.11 -1.27 -7.23 -0.00 -0.95 120.40 110.65 3kvv s VAL 107 Ca 0.61 -0.87 0.02 0.00 -1.81 0.00 0.00 61.98 59.93 3kvv s VAL 107 Cb -0.16 -2.00 -0.01 0.00 0.56 0.00 0.00 36.38 34.77 3kvv s VAL 107 CO 0.52 0.58 -0.19 -0.76 -0.31 0.00 0.00 175.10 174.93 3kvv s LEU 108 N -0.54 2.35 -0.20 1.32 1.43 0.15 -1.48 118.68 121.72 3kvv s LEU 108 Ca 0.07 -0.45 -0.06 0.00 -1.03 0.00 0.00 54.13 52.66 3kvv s LEU 108 Cb -0.11 -1.49 -0.03 0.00 0.03 0.00 0.00 46.19 44.59 3kvv s LEU 108 CO 0.01 0.17 0.02 -0.69 0.23 0.00 0.00 176.35 176.09 3kvv s VAL 109 N 0.28 4.21 -0.26 -1.59 1.01 0.11 -1.49 120.40 122.67 3kvv s VAL 109 Ca -0.14 -0.23 -0.19 0.00 0.00 0.00 0.00 61.98 61.42 3kvv s VAL 109 Cb -0.17 -2.90 -0.02 0.00 0.00 0.00 0.00 36.38 33.29 3kvv s VAL 109 CO 0.07 0.43 0.58 -0.89 0.00 0.00 0.00 175.10 175.29 3kvv s THR 110 N 0.84 5.02 0.08 3.92 2.01 -0.77 -1.61 115.64 125.13 3kvv s THR 110 Ca 0.02 1.03 -0.01 0.00 0.31 0.00 0.00 61.69 63.03 3kvv s THR 110 Cb -0.14 -3.89 -0.26 0.00 0.01 0.00 0.00 72.50 68.22 3kvv s THR 110 CO 0.02 0.05 1.14 0.71 -0.69 0.00 0.00 174.62 175.86 3kvv h THR 111 N 5.41 1.52 -2.21 -0.82 1.35 -1.31 -3.41 112.91 113.43 3kvv h THR 111 Ca -0.28 -3.13 0.15 0.00 -0.55 0.00 0.00 66.41 62.60 3kvv h THR 111 Cb 1.13 2.89 -0.14 0.00 -1.73 0.00 0.00 68.15 70.31 3kvv h THR 111 CO 0.75 0.90 0.53 0.00 -0.25 0.00 0.00 175.52 177.45 3kvv s ALA 112 N -2.67 -1.81 0.06 6.62 0.00 -1.25 -1.16 121.76 121.55 3kvv s ALA 112 Ca -0.03 0.81 0.08 0.00 0.00 0.00 0.00 51.96 52.82 3kvv s ALA 112 Cb 0.08 0.44 -0.03 0.00 0.00 0.00 0.00 23.12 23.61 3kvv s ALA 112 CO 0.86 -0.79 -0.21 -1.12 0.00 0.00 0.00 175.76 174.51 3kvv s SER 113 N -2.60 2.52 0.03 0.00 0.01 -0.42 -1.62 113.70 111.62 3kvv s SER 113 Ca 0.07 -0.58 -0.30 0.00 1.31 0.00 0.00 55.95 56.45 3kvv s SER 113 Cb -0.01 -0.18 -0.05 0.00 0.21 0.00 0.00 66.02 65.98 3kvv s SER 113 CO -0.06 0.13 1.27 -0.69 0.41 0.00 0.00 173.24 174.30 3kvv s VAL 114 N -0.93 3.89 -1.10 3.43 1.01 0.18 -4.38 120.40 122.51 3kvv s VAL 114 Ca 0.07 1.32 -0.17 0.00 0.00 0.00 0.00 61.98 63.20 3kvv s VAL 114 Cb -0.09 -3.85 0.13 0.00 0.00 0.00 0.00 36.38 32.57 3kvv s VAL 114 CO 0.03 0.06 1.37 -0.13 0.00 0.00 0.00 175.10 176.43 3kvv s ARG 115 N 1.59 3.84 -0.44 2.72 0.52 -1.26 -1.46 118.95 124.45 3kvv s ARG 115 Ca 0.60 -2.03 0.04 0.00 -0.52 0.00 0.00 55.73 53.82 3kvv s ARG 115 Cb -0.30 -5.12 0.65 0.00 0.52 0.00 0.00 34.95 30.71 3kvv s ARG 115 CO 0.27 -1.89 1.90 1.28 0.02 0.00 0.00 175.30 176.88 3kvv n LEU 116 N 6.75 6.69 -4.65 2.53 4.77 -0.42 -4.95 117.00 127.71 3kvv n LEU 116 Ca 0.33 -3.58 -0.28 0.00 -0.03 0.00 0.00 56.01 52.46 3kvv n LEU 116 Cb 0.46 -0.84 -0.10 0.00 -2.33 0.00 0.00 43.42 40.62 3kvv n LEU 116 CO 0.61 1.04 -0.27 1.51 -1.33 0.00 0.00 177.39 178.96 3kvv s ASP 117 N -1.26 3.98 -0.21 -1.43 -4.77 -1.21 -1.96 116.67 109.82 3kvv s ASP 117 Ca 0.56 -1.34 0.10 0.00 -3.30 0.00 0.00 52.55 48.57 3kvv s ASP 117 Cb 0.47 -0.35 -0.22 0.00 -1.09 0.00 0.00 42.92 41.73 3kvv s ASP 117 CO 0.11 -0.49 0.02 0.61 0.70 0.00 0.00 175.17 176.12 3kvv n GLY 118 N -1.03 -0.74 0.24 2.12 0.00 -1.26 -4.63 105.19 99.88 3kvv n GLY 118 Ca -0.05 -0.25 0.01 0.00 0.00 0.00 0.00 46.02 45.72 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 0.58 1.37 -0.57 4.61 0.00 -1.98 -2.49 119.26 120.78 3kvv h ALA 119 Ca -0.53 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 54.18 3kvv h ALA 119 Cb 2.09 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.75 3kvv h ALA 119 CO -0.01 0.43 0.38 0.66 0.00 0.00 0.00 179.25 180.71 3kvv h SER 120 N 0.29 0.50 0.40 0.00 4.64 -1.86 0.37 113.55 117.89 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 0.48 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3kvv h SER 120 CO 0.03 0.33 -0.01 -0.07 -0.87 0.00 0.00 176.83 176.24 3kvv h LEU 121 N 0.57 0.00 0.00 5.97 3.38 -1.56 -0.30 115.31 123.37 3kvv h LEU 121 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3kvv h LEU 121 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3kvv h LEU 121 CO -0.07 0.01 0.00 1.41 0.09 0.00 0.00 178.44 179.88 3kvv n HIS 122 N -3.15 0.00 -0.01 1.13 8.25 0.12 -3.92 115.22 117.65 3kvv n HIS 122 Ca -0.02 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.43 3kvv n HIS 122 Cb 0.17 -0.20 -0.01 0.00 1.12 0.00 0.00 29.99 31.07 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 -1.20 0.00 -3.61 4.41 3.01 -0.24 -5.09 117.46 114.74 3kvv n PHE 123 Ca 0.17 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.47 3kvv n PHE 123 Cb 0.20 -0.08 -0.07 0.00 -0.01 0.00 0.00 39.48 39.52 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 -2.04 -1.50 0.92 4.37 0.00 -0.50 -5.01 121.76 118.01 3kvv s ALA 124 Ca -0.01 1.20 -0.12 0.00 0.00 0.00 0.00 51.96 53.03 3kvv s ALA 124 Cb 0.01 -0.22 0.14 0.00 0.00 0.00 0.00 23.12 23.05 3kvv s ALA 124 CO 0.06 -0.33 1.09 -1.25 0.00 0.00 0.00 175.76 175.33 3kvv s PRO 125 N -0.86 1.05 0.50 0.00 0.04 -1.26 -3.94 135.00 130.54 3kvv s PRO 125 Ca -0.09 0.79 0.17 0.00 0.04 0.00 0.00 61.00 61.90 3kvv s PRO 125 Cb -0.02 -1.79 1.23 0.00 0.04 0.00 0.00 34.50 33.96 3kvv s PRO 125 CO 0.07 -2.38 2.10 1.25 0.04 0.00 0.00 177.00 178.08 3kvv h LEU 126 N -1.65 0.08 -1.85 -3.56 5.85 -1.93 -1.09 115.31 111.15 3kvv h LEU 126 Ca -0.51 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.21 3kvv h LEU 126 Cb 1.29 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.30 3kvv h LEU 126 CO 0.55 0.05 0.00 1.05 -0.34 0.00 0.00 178.44 179.75 3kvv h GLU 127 N 0.09 0.00 -6.69 1.25 9.09 -2.03 -3.43 114.58 112.85 3kvv h GLU 127 Ca 0.08 0.00 -0.52 0.00 0.05 0.00 0.00 59.36 58.98 3kvv h GLU 127 Cb 0.22 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.33 3kvv h GLU 127 CO -0.01 0.00 0.52 0.12 0.05 0.00 0.00 179.01 179.69 3kvv s PHE 128 N -3.75 3.50 0.03 2.06 2.19 -0.42 -5.00 117.98 116.60 3kvv s PHE 128 Ca -0.01 1.53 -0.30 0.00 0.33 0.00 0.00 56.93 58.49 3kvv s PHE 128 Cb 0.10 -3.36 -0.04 0.00 -1.31 0.00 0.00 43.02 38.41 3kvv s PHE 128 CO 0.42 -0.90 0.96 -1.25 1.83 0.00 0.00 175.22 176.27 3kvv s PRO 129 N -0.55 4.60 -1.35 10.12 0.04 -1.26 -4.93 135.00 141.67 3kvv s PRO 129 Ca 0.50 1.41 -0.15 0.00 0.04 0.00 0.00 61.00 62.79 3kvv s PRO 129 Cb -0.32 -3.43 0.01 0.00 0.04 0.00 0.00 34.50 30.80 3kvv s PRO 129 CO 0.37 0.05 2.18 0.00 0.04 0.00 0.00 177.00 179.64 3kvv n ALA 130 N 3.51 5.21 -2.85 8.56 0.00 -1.26 -4.75 120.51 128.93 3kvv n ALA 130 Ca 0.04 -3.79 -0.37 0.00 0.00 0.00 0.00 53.44 49.33 3kvv n ALA 130 Cb 0.50 -3.56 -0.07 0.00 0.00 0.00 0.00 19.45 16.33 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 3.48 5.34 0.61 0.00 0.11 -1.26 -1.31 120.40 127.37 3kvv s VAL 131 Ca 0.49 0.15 -0.14 0.00 -2.93 0.00 0.00 61.98 59.54 3kvv s VAL 131 Cb 0.14 -3.33 -0.03 0.00 -1.53 0.00 0.00 36.38 31.63 3kvv s VAL 131 CO -0.06 0.60 1.05 0.00 -3.33 0.00 0.00 175.10 173.36 3kvv s ALA 132 N -0.89 2.77 0.27 1.54 0.00 -0.31 -4.68 121.76 120.46 3kvv s ALA 132 Ca 0.14 0.28 -0.30 0.00 0.00 0.00 0.00 51.96 52.08 3kvv s ALA 132 Cb -0.12 -3.20 -0.10 0.00 0.00 0.00 0.00 23.12 19.70 3kvv s ALA 132 CO 0.03 -0.85 1.40 0.34 0.00 0.00 0.00 175.76 176.68 3kvv s ASP 133 N -3.12 6.69 0.24 0.00 2.15 0.39 -4.94 116.67 118.09 3kvv s ASP 133 Ca 0.61 2.66 -0.06 0.00 0.43 0.00 0.00 52.55 56.19 3kvv s ASP 133 Cb -0.15 -2.63 0.22 0.00 -0.30 0.00 0.00 42.92 40.07 3kvv s ASP 133 CO 0.41 -0.65 1.86 0.15 -0.17 0.00 0.00 175.17 176.77 3kvv h PHE 134 N 4.59 1.23 -0.35 -5.34 3.04 -1.95 -1.71 116.94 116.44 3kvv h PHE 134 Ca -0.47 -0.03 -0.15 0.00 3.98 0.00 0.00 57.97 61.30 3kvv h PHE 134 Cb 1.22 -0.39 -0.01 0.00 2.56 0.00 0.00 35.95 39.33 3kvv h PHE 134 CO 0.59 0.85 -0.36 0.93 -2.02 0.00 0.00 178.31 178.30 3kvv h GLU 135 N 1.25 0.87 -0.41 1.11 5.08 -1.95 -0.87 114.58 119.65 3kvv h GLU 135 Ca 0.32 -0.46 -0.06 0.00 -1.00 0.00 0.00 59.36 58.15 3kvv h GLU 135 Cb 0.03 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3kvv h GLU 135 CO -0.05 1.10 0.01 0.00 -1.00 0.00 0.00 179.01 179.07 3kvv h THR 137 N 0.56 1.12 -0.67 0.00 2.02 -1.29 0.19 112.91 114.85 3kvv h THR 137 Ca 0.12 -0.33 0.07 0.00 0.77 0.00 0.00 66.41 67.04 3kvv h THR 137 Cb 0.47 0.91 -0.06 0.00 -1.74 0.00 0.00 68.15 67.73 3kvv h THR 137 CO 0.02 0.12 0.35 0.74 0.37 0.00 0.00 175.52 177.12 3kvv h THR 138 N 0.27 0.92 -0.60 3.16 2.02 -1.00 0.29 112.91 117.98 3kvv h THR 138 Ca 0.08 -0.22 -0.07 0.00 0.77 0.00 0.00 66.41 66.97 3kvv h THR 138 Cb 0.08 0.23 -0.03 0.00 -1.74 0.00 0.00 68.15 66.69 3kvv h THR 138 CO -0.01 0.12 0.09 0.00 0.37 0.00 0.00 175.52 176.08 3kvv h ALA 139 N 1.37 1.03 -0.32 6.16 0.00 -0.40 -0.59 119.26 126.50 3kvv h ALA 139 Ca 0.31 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 3kvv h ALA 139 Cb 0.25 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3kvv h ALA 139 CO -0.21 0.62 -0.13 -0.07 0.00 0.00 0.00 179.25 179.46 3kvv h LEU 140 N 0.91 0.67 -0.28 0.00 3.38 -0.39 -0.37 115.31 119.23 3kvv h LEU 140 Ca 0.18 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 3kvv h LEU 140 Cb 0.41 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3kvv h LEU 140 CO 0.01 0.91 0.05 0.58 0.09 0.00 0.00 178.44 180.08 3kvv h VAL 141 N 0.43 1.23 -0.57 1.22 2.07 -0.75 -0.43 116.25 119.44 3kvv h VAL 141 Ca 0.08 -0.78 -0.00 0.00 0.82 0.00 0.00 66.70 66.81 3kvv h VAL 141 Cb 0.65 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 3kvv h VAL 141 CO 0.04 0.25 0.34 -0.33 0.02 0.00 0.00 177.57 177.90 3kvv h GLU 142 N 0.29 0.78 -0.89 1.57 5.08 -1.12 -2.02 114.58 118.27 3kvv h GLU 142 Ca 0.09 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3kvv h GLU 142 Cb 0.33 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 3kvv h GLU 142 CO 0.01 0.57 0.58 0.00 -1.00 0.00 0.00 179.01 179.17 3kvv h ALA 143 N 1.17 1.36 -0.54 3.43 0.00 -0.91 -0.31 119.26 123.46 3kvv h ALA 143 Ca 0.21 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3kvv h ALA 143 Cb -0.00 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 3kvv h ALA 143 CO -0.04 0.59 0.13 0.00 0.00 0.00 0.00 179.25 179.93 3kvv h ALA 144 N 1.44 0.71 -0.62 0.00 0.00 -0.68 -2.26 119.26 117.85 3kvv h ALA 144 Ca 0.32 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3kvv h ALA 144 Cb -0.13 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 3kvv h ALA 144 CO -0.07 0.41 0.19 1.57 0.00 0.00 0.00 179.25 181.36 3kvv h LYS 145 N 0.76 0.94 -0.95 0.00 5.09 -1.06 -1.39 116.57 119.97 3kvv h LYS 145 Ca 0.17 -0.18 0.10 0.00 0.09 0.00 0.00 60.65 60.82 3kvv h LYS 145 Cb 0.35 -0.15 -0.07 0.00 0.10 0.00 0.00 32.23 32.46 3kvv h LYS 145 CO 0.00 0.81 0.61 1.03 -2.09 0.00 0.00 179.45 179.81 3kvv h SER 146 N 0.91 0.89 -0.02 7.07 0.87 -0.48 -2.12 113.55 120.66 3kvv h SER 146 Ca 0.20 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 3kvv h SER 146 Cb 0.26 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 3kvv h SER 146 CO -0.01 0.52 -0.20 2.30 -0.53 0.00 0.00 176.83 178.91 3kvv n ILE 147 N -4.55 0.00 -2.49 2.23 -5.35 -1.01 -4.99 119.36 103.21 3kvv n ILE 147 Ca 0.16 -0.40 -0.10 0.00 -0.27 0.00 0.00 62.75 62.14 3kvv n ILE 147 Cb 0.30 1.40 0.01 0.00 -1.74 0.00 0.00 39.64 39.60 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 1.37 0.09 3.81 3.28 0.00 -0.56 -5.02 105.19 108.16 3kvv n GLY 148 Ca 0.12 -0.40 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.73 2.70 -0.27 4.61 0.00 -1.02 -5.00 121.76 120.04 3kvv s ALA 149 Ca 0.10 0.29 -0.29 0.00 0.00 0.00 0.00 51.96 52.06 3kvv s ALA 149 Cb -0.04 -3.22 0.01 0.00 0.00 0.00 0.00 23.12 19.87 3kvv s ALA 149 CO 0.13 -0.99 1.06 0.99 0.00 0.00 0.00 175.76 176.94 3kvv s THR 150 N -2.66 4.60 -0.05 0.00 2.01 -1.26 -4.81 115.64 113.47 3kvv s THR 150 Ca 0.62 1.89 0.05 0.00 0.31 0.00 0.00 61.69 64.56 3kvv s THR 150 Cb -0.15 -4.36 -0.00 0.00 0.01 0.00 0.00 72.50 67.99 3kvv s THR 150 CO 0.44 -0.32 -0.19 -0.89 -0.69 0.00 0.00 174.62 172.97 3kvv s THR 151 N 3.41 1.54 0.01 -0.82 2.01 -1.26 -0.82 115.64 119.72 3kvv s THR 151 Ca 0.45 -0.78 0.07 0.00 0.31 0.00 0.00 61.69 61.74 3kvv s THR 151 Cb -0.14 -1.32 -0.02 0.00 0.01 0.00 0.00 72.50 71.03 3kvv s THR 151 CO 0.10 0.44 -0.22 -1.00 -0.69 0.00 0.00 174.62 173.25 3kvv s HIS 152 N -0.01 1.98 -0.12 4.92 3.76 -0.55 -4.99 115.29 120.30 3kvv s HIS 152 Ca -0.04 -0.38 0.02 0.00 -0.15 0.00 0.00 55.06 54.52 3kvv s HIS 152 Cb -0.12 -1.23 0.01 0.00 1.11 0.00 0.00 32.58 32.35 3kvv s HIS 152 CO 0.02 0.04 -0.18 0.08 -0.85 0.00 0.00 174.74 173.85 3kvv s VAL 153 N -0.66 1.74 -1.93 -0.90 1.01 -1.26 -0.71 120.40 117.69 3kvv s VAL 153 Ca 0.09 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.27 3kvv s VAL 153 Cb -0.09 -1.55 0.00 0.00 0.00 0.00 0.00 36.38 34.74 3kvv s VAL 153 CO 0.01 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.20 3kvv n GLY 154 N 4.06 -0.61 3.83 4.51 0.00 -0.63 -4.95 105.19 111.40 3kvv n GLY 154 Ca -0.20 -0.63 -0.36 0.00 0.00 0.00 0.00 46.02 44.83 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 -3.47 4.83 0.04 1.61 1.01 -1.26 -0.80 120.40 122.36 3kvv s VAL 155 Ca 0.00 0.94 0.08 0.00 0.00 0.00 0.00 61.98 63.00 3kvv s VAL 155 Cb 0.00 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 3kvv s VAL 155 CO 0.00 0.34 -0.23 -0.89 0.00 0.00 0.00 175.10 174.32 3kvv s THR 156 N -1.35 1.86 -0.25 3.92 2.01 -0.64 -1.38 115.64 119.81 3kvv s THR 156 Ca 0.35 -1.25 -0.14 0.00 0.31 0.00 0.00 61.69 60.95 3kvv s THR 156 Cb -0.16 -1.60 -0.04 0.00 0.01 0.00 0.00 72.50 70.71 3kvv s THR 156 CO 0.19 0.30 0.34 0.00 -0.69 0.00 0.00 174.62 174.75 3kvv s ALA 157 N -0.77 3.56 -0.30 7.40 0.00 0.09 0.52 121.76 132.26 3kvv s ALA 157 Ca 0.09 -0.79 -0.04 0.00 0.00 0.00 0.00 51.96 51.22 3kvv s ALA 157 Cb -0.09 -2.63 0.03 0.00 0.00 0.00 0.00 23.12 20.43 3kvv s ALA 157 CO 0.02 -0.52 0.04 0.45 0.00 0.00 0.00 175.76 175.74 3kvv s SER 158 N 1.47 4.94 -0.07 0.00 0.15 -0.54 -2.19 113.70 117.46 3kvv s SER 158 Ca 0.14 -0.97 0.01 0.00 0.70 0.00 0.00 55.95 55.83 3kvv s SER 158 Cb -0.15 -1.79 -0.03 0.00 -1.71 0.00 0.00 66.02 62.33 3kvv s SER 158 CO 0.09 -0.23 -0.07 -0.55 1.20 0.00 0.00 173.24 173.68 3kvv s SER 159 N 1.38 4.59 0.00 5.45 0.15 -0.13 -1.30 113.70 123.84 3kvv s SER 159 Ca -0.01 -0.04 0.17 0.00 0.70 0.00 0.00 55.95 56.77 3kvv s SER 159 Cb -0.18 -1.17 0.75 0.00 -1.71 0.00 0.00 66.02 63.70 3kvv s SER 159 CO 0.00 0.35 1.52 0.47 1.20 0.00 0.00 173.24 176.79 3kvv n ASP 160 N 2.29 0.00 -4.23 5.45 9.92 -0.83 -4.38 116.55 124.78 3kvv n ASP 160 Ca -0.18 0.38 -0.20 0.00 -0.53 0.00 0.00 54.79 54.26 3kvv n ASP 160 Cb 0.53 -0.44 -0.12 0.00 -0.64 0.00 0.00 41.12 40.45 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 -2.89 1.39 0.05 -3.53 2.01 -1.26 -5.01 115.64 106.39 3kvv s THR 161 Ca 0.10 -1.54 0.09 0.00 0.31 0.00 0.00 61.69 60.65 3kvv s THR 161 Cb 0.11 -1.40 -0.17 0.00 0.01 0.00 0.00 72.50 71.05 3kvv s THR 161 CO 0.29 -0.25 1.18 0.15 -0.69 0.00 0.00 174.62 175.30 3kvv h PHE 162 N 3.92 0.00 0.00 4.92 3.57 -1.97 -3.39 116.94 123.98 3kvv h PHE 162 Ca -0.42 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.08 3kvv h PHE 162 Cb 1.19 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.93 3kvv h PHE 162 CO 0.64 0.92 0.00 0.66 -2.23 0.00 0.00 178.31 178.29 3kvv n TYR 163 N -3.27 0.00 0.04 0.41 4.02 -1.26 -4.35 117.16 112.76 3kvv n TYR 163 Ca -0.03 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.87 3kvv n TYR 163 Cb 0.93 0.00 0.35 0.00 -0.02 0.00 0.00 39.34 40.59 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 0.43 0.00 -0.72 0.13 -1.88 -0.67 132.00 129.29 3kvv h PRO 164 Ca 0.00 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 3kvv h PRO 164 Cb 0.00 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.06 3kvv h PRO 164 CO 0.00 0.47 0.00 0.78 -0.23 0.00 0.00 178.00 179.02 3kvv h GLY 165 N 0.75 0.00 -2.33 1.56 0.00 -1.87 -1.22 103.07 99.96 3kvv h GLY 165 Ca 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.39 3kvv h GLY 165 CO 0.01 0.00 0.02 -1.06 0.00 0.00 0.00 176.54 175.51 3kvv n GLN 166 N -2.81 3.46 -4.10 4.80 6.02 -0.72 -4.93 117.38 119.10 3kvv n GLN 166 Ca -0.01 -2.98 -0.29 0.00 -0.01 0.00 0.00 57.00 53.72 3kvv n GLN 166 Cb 0.17 -1.99 -0.04 0.00 1.02 0.00 0.00 30.24 29.39 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 -0.22 -2.60 -3.30 -1.09 2.13 -0.46 -4.91 120.64 110.19 3kvv n GLU 167 Ca 0.26 0.31 -0.38 0.00 0.66 0.00 0.00 57.16 58.00 3kvv n GLU 167 Cb 1.03 -4.35 -0.06 0.00 0.27 0.00 0.00 31.44 28.33 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 -6.84 4.24 0.00 5.31 0.52 -0.34 -4.95 118.95 116.90 3kvv s ARG 168 Ca 0.11 0.57 0.15 0.00 -0.52 0.00 0.00 55.73 56.04 3kvv s ARG 168 Cb -0.06 -3.35 0.06 0.00 0.52 0.00 0.00 34.95 32.13 3kvv s ARG 168 CO 0.93 0.37 0.88 0.66 0.02 0.00 0.00 175.30 178.16 3kvv n TYR 169 N 2.82 0.00 -1.67 -0.53 4.02 -1.26 -4.30 117.16 116.24 3kvv n TYR 169 Ca -0.08 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.40 3kvv n TYR 169 Cb 0.51 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.82 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 0.38 6.44 -4.16 7.72 5.75 -1.26 -4.23 116.55 127.18 3kvv n ASP 170 Ca 0.07 -2.80 -0.15 0.00 -0.01 0.00 0.00 54.79 51.89 3kvv n ASP 170 Cb 0.34 -1.56 -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 1.93 0.28 0.16 2.12 -4.23 -1.26 -5.01 115.64 109.63 3kvv s THR 171 Ca 0.56 -2.00 -0.21 0.00 -1.18 0.00 0.00 61.69 58.86 3kvv s THR 171 Cb 0.16 -2.56 0.06 0.00 1.34 0.00 0.00 72.50 71.50 3kvv s THR 171 CO -0.07 0.00 1.62 0.22 -0.54 0.00 0.00 174.62 175.86 3kvv h TYR 172 N 2.42 -0.66 0.00 3.99 5.03 -1.99 -2.90 116.97 122.87 3kvv h TYR 172 Ca -0.36 0.05 -0.04 0.00 2.58 0.00 0.00 58.73 60.96 3kvv h TYR 172 Cb 1.25 0.34 -0.01 0.00 1.55 0.00 0.00 36.73 39.86 3kvv h TYR 172 CO 0.60 -0.32 -0.81 0.66 -1.32 0.00 0.00 178.16 176.96 3kvv h SER 173 N -0.21 0.00 -1.20 -2.11 4.64 -1.97 -3.47 113.55 109.23 3kvv h SER 173 Ca 0.17 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.18 3kvv h SER 173 Cb 0.47 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.47 3kvv h SER 173 CO -0.46 0.16 -0.32 0.61 -0.87 0.00 0.00 176.83 175.95 3kvv n GLY 174 N 1.21 0.98 3.26 -0.77 0.00 -1.10 -4.99 105.19 103.77 3kvv n GLY 174 Ca -0.01 -0.28 -0.14 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.77 1.15 -0.04 1.61 1.70 -1.26 -4.92 118.95 113.41 3kvv s ARG 175 Ca 0.00 -1.56 0.03 0.00 -0.47 0.00 0.00 55.73 53.73 3kvv s ARG 175 Cb 0.00 -0.33 0.01 0.00 -0.57 0.00 0.00 34.95 34.06 3kvv s ARG 175 CO 0.00 -0.12 -0.11 0.08 -1.08 0.00 0.00 175.30 174.07 3kvv s VAL 176 N -3.61 0.97 0.58 4.99 1.01 -1.26 -4.90 120.40 118.17 3kvv s VAL 176 Ca 0.25 -0.42 -0.20 0.00 0.00 0.00 0.00 61.98 61.60 3kvv s VAL 176 Cb 0.06 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 3kvv s VAL 176 CO 0.05 0.30 1.18 0.55 0.00 0.00 0.00 175.10 177.18 3kvv n VAL 177 N 3.53 3.92 -0.30 2.92 3.14 -1.26 -4.62 118.33 125.65 3kvv n VAL 177 Ca -0.21 -0.50 0.13 0.00 -2.96 0.00 0.00 64.34 60.80 3kvv n VAL 177 Cb 0.53 -1.41 0.28 0.00 -1.06 0.00 0.00 33.84 32.18 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 0.93 0.15 -0.53 1.45 2.43 -2.00 0.54 114.38 117.35 3kvv h ARG 178 Ca -0.50 -0.01 0.15 0.00 -0.81 0.00 0.00 59.98 58.82 3kvv h ARG 178 Cb 1.33 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.83 3kvv h ARG 178 CO 0.54 0.10 0.40 1.25 -1.51 0.00 0.00 179.97 180.75 3kvv h HIS 179 N 0.16 0.00 -0.02 2.20 2.76 -2.02 -1.96 115.15 116.27 3kvv h HIS 179 Ca 0.55 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.72 3kvv h HIS 179 Cb 1.12 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.08 3kvv h HIS 179 CO -0.31 0.00 -0.08 1.19 -1.30 0.00 0.00 177.93 177.43 3kvv n PHE 180 N -4.31 0.00 -2.01 5.26 3.01 0.16 -4.80 117.46 114.77 3kvv n PHE 180 Ca 0.10 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.14 3kvv n PHE 180 Cb 0.62 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.06 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 -1.40 4.24 0.00 -1.08 -0.14 -0.74 -1.85 119.74 118.77 3kvv s LYS 181 Ca 0.16 2.25 0.00 0.00 -1.36 0.00 0.00 55.97 57.02 3kvv s LYS 181 Cb 0.13 -3.38 0.00 0.00 -1.68 0.00 0.00 37.83 32.89 3kvv s LYS 181 CO 0.24 -0.62 0.00 0.41 -0.76 0.00 0.00 175.35 174.62 3kvv n GLY 182 N 3.78 0.41 0.26 -3.33 0.00 -1.26 -4.92 105.19 100.13 3kvv n GLY 182 Ca 0.14 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.02 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 0.99 -0.43 1.61 4.64 -1.68 -3.03 113.55 115.66 3kvv h SER 183 Ca 0.00 -0.50 0.01 0.00 -0.47 0.00 0.00 61.79 60.83 3kvv h SER 183 Cb 0.25 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 62.04 3kvv h SER 183 CO 0.00 1.31 0.26 -0.03 -0.87 0.00 0.00 176.83 177.50 3kvv h MET 184 N 0.72 0.52 -0.75 4.77 -1.53 -1.91 -1.53 114.93 115.21 3kvv h MET 184 Ca 0.03 -0.03 0.05 0.00 -3.44 0.00 0.00 59.70 56.31 3kvv h MET 184 Cb 1.09 -0.12 -0.04 0.00 -0.55 0.00 0.00 31.60 31.97 3kvv h MET 184 CO 0.11 0.34 0.49 1.49 0.14 0.00 0.00 176.91 179.49 3kvv h GLU 185 N 0.54 0.84 -0.04 0.39 4.81 -1.97 -1.02 114.58 118.12 3kvv h GLU 185 Ca 0.16 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3kvv h GLU 185 Cb -0.02 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.17 3kvv h GLU 185 CO -0.06 0.55 0.01 1.49 -0.73 0.00 0.00 179.01 180.27 3kvv h GLU 186 N 0.86 0.06 -0.78 1.92 4.57 -1.23 -1.30 114.58 118.69 3kvv h GLU 186 Ca 0.31 -0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.50 3kvv h GLU 186 Cb 0.14 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.67 3kvv h GLU 186 CO -0.10 0.31 0.50 -1.49 -1.18 0.00 0.00 179.01 177.05 3kvv h TRP 187 N -0.19 0.93 -0.48 0.92 -0.00 -1.06 -1.68 115.95 114.39 3kvv h TRP 187 Ca 0.01 0.02 0.04 0.00 -0.00 0.00 0.00 58.89 58.97 3kvv h TRP 187 Cb 0.28 -0.31 -0.04 0.00 -0.00 0.00 0.00 29.16 29.08 3kvv h TRP 187 CO 0.02 0.53 0.23 1.96 -0.00 0.00 0.00 178.44 181.18 3kvv h GLN 188 N 0.97 0.45 -0.05 0.49 4.20 -1.11 -1.12 115.11 118.94 3kvv h GLN 188 Ca 0.31 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.98 3kvv h GLN 188 Cb 0.02 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 3kvv h GLN 188 CO -0.11 0.30 -0.04 0.00 -0.67 0.00 0.00 178.83 178.30 3kvv h ALA 189 N 1.27 1.85 -0.09 3.87 0.00 -0.73 -1.46 119.26 123.97 3kvv h ALA 189 Ca 0.21 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3kvv h ALA 189 Cb 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3kvv h ALA 189 CO -0.16 0.12 0.00 -1.33 0.00 0.00 0.00 179.25 177.88 3kvv n MET 190 N -4.45 1.57 -0.68 0.00 2.81 -0.64 -4.91 117.12 110.83 3kvv n MET 190 Ca -0.02 -0.85 0.00 0.00 -1.81 0.00 0.00 57.70 55.02 3kvv n MET 190 Cb 0.15 -1.42 0.00 0.00 -0.71 0.00 0.00 33.22 31.24 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 1.10 0.73 3.70 3.03 0.00 -0.55 -5.01 105.19 108.19 3kvv n GLY 191 Ca 0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.76 3kvv n GLY 191 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kvv n VAL 192 N -2.41 0.88 0.09 1.61 0.31 -0.52 -4.67 118.33 113.62 3kvv n VAL 192 Ca 0.00 -0.22 -0.18 0.00 -0.01 0.00 0.00 64.34 63.93 3kvv n VAL 192 Cb 0.00 -1.67 -0.14 0.00 -0.91 0.00 0.00 33.84 31.11 3kvv n VAL 192 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 3kvv h MET 193 N 4.63 0.30 -1.97 5.55 0.00 -1.55 -3.42 114.93 118.47 3kvv h MET 193 Ca -0.46 -0.51 0.21 0.00 0.00 0.00 0.00 59.70 58.94 3kvv h MET 193 Cb 1.25 0.19 -0.12 0.00 0.00 0.00 0.00 31.60 32.92 3kvv h MET 193 CO 0.79 1.21 0.62 0.54 0.00 0.00 0.00 176.91 180.07 3kvv s ASN 194 N -7.14 -0.18 -0.06 1.22 4.22 -1.26 -1.02 114.94 110.72 3kvv s ASN 194 Ca -0.07 -0.19 0.04 0.00 -2.14 0.00 0.00 52.86 50.50 3kvv s ASN 194 Cb 0.07 0.33 -0.02 0.00 1.28 0.00 0.00 41.25 42.91 3kvv s ASN 194 CO 0.88 -0.59 -0.16 -0.31 -2.04 0.00 0.00 177.10 174.88 3kvv s TYR 195 N -2.90 2.66 0.00 1.54 1.51 -0.35 -0.74 117.35 119.07 3kvv s TYR 195 Ca 0.11 -0.32 0.00 0.00 -1.01 0.00 0.00 57.07 55.85 3kvv s TYR 195 Cb 0.00 -1.65 0.00 0.00 -0.11 0.00 0.00 41.96 40.21 3kvv s TYR 195 CO -0.03 0.06 0.00 -0.85 -1.11 0.00 0.00 175.55 173.62 3kvv n GLU 196 N 2.59 0.00 0.00 -0.62 -0.00 -0.93 -2.75 120.64 118.92 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 0.73 0.00 3.44 2.81 -1.26 -0.95 117.12 121.88 3kvv n MET 197 Ca 0.00 -0.70 0.00 0.00 -1.81 0.00 0.00 57.70 55.19 3kvv n MET 197 Cb 0.00 -0.71 0.00 0.00 -0.71 0.00 0.00 33.22 31.80 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 -0.14 2.06 -0.07 0.03 4.71 -1.26 -3.37 120.64 122.59 3kvv n GLU 198 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 57.16 57.08 3kvv n GLU 198 Cb 0.31 -0.81 0.10 0.00 -1.01 0.00 0.00 31.44 30.03 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 0.75 -0.31 1.62 4.64 -1.94 -1.84 113.55 116.47 3kvv h SER 199 Ca 0.00 -0.27 0.02 0.00 -0.47 0.00 0.00 61.79 61.07 3kvv h SER 199 Cb 0.00 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 61.86 3kvv h SER 199 CO 0.00 0.96 0.16 0.00 -0.87 0.00 0.00 176.83 177.08 3kvv h ALA 200 N 1.09 0.38 0.07 5.18 0.00 -1.86 0.29 119.26 124.41 3kvv h ALA 200 Ca 0.09 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3kvv h ALA 200 Cb 0.73 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3kvv h ALA 200 CO 0.06 -0.22 -0.03 1.15 0.00 0.00 0.00 179.25 180.20 3kvv h THR 201 N 0.33 1.02 0.14 0.00 2.02 -1.89 -1.81 112.91 112.72 3kvv h THR 201 Ca 0.13 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 67.03 3kvv h THR 201 Cb 0.04 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 3kvv h THR 201 CO -0.09 0.07 -0.15 0.25 0.37 0.00 0.00 175.52 175.97 3kvv h LEU 202 N -0.22 -0.39 -0.59 2.58 5.85 -1.12 -0.71 115.31 120.72 3kvv h LEU 202 Ca -0.01 0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.65 3kvv h LEU 202 Cb 0.19 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 3kvv h LEU 202 CO 0.02 -0.22 -0.04 -0.07 -0.34 0.00 0.00 178.44 177.79 3kvv h LEU 203 N -0.32 1.05 -0.00 2.25 3.38 -0.45 -1.62 115.31 119.59 3kvv h LEU 203 Ca 0.01 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 3kvv h LEU 203 Cb 0.31 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3kvv h LEU 203 CO -0.04 1.12 -0.00 0.74 0.09 0.00 0.00 178.44 180.34 3kvv h THR 204 N 0.95 1.30 -0.34 0.22 2.02 -1.25 -0.47 112.91 115.34 3kvv h THR 204 Ca 0.16 -0.89 -0.04 0.00 0.77 0.00 0.00 66.41 66.41 3kvv h THR 204 Cb 0.60 1.90 -0.02 0.00 -1.74 0.00 0.00 68.15 68.90 3kvv h THR 204 CO 0.04 0.23 0.03 0.00 0.37 0.00 0.00 175.52 176.18 3kvv h MET 205 N -0.37 0.51 -0.02 6.66 -0.00 -1.07 -1.58 114.93 119.07 3kvv h MET 205 Ca 0.00 -0.10 -0.03 0.00 -0.00 0.00 0.00 59.70 59.57 3kvv h MET 205 Cb 0.38 -0.08 0.00 0.00 -0.00 0.00 0.00 31.60 31.90 3kvv h MET 205 CO 0.00 0.52 -0.12 0.00 -0.00 0.00 0.00 176.91 177.31 3kvv h ALA 207 N 0.34 1.44 -0.22 0.00 0.00 -0.95 -1.19 119.26 118.66 3kvv h ALA 207 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3kvv h ALA 207 Cb 0.80 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3kvv h ALA 207 CO 0.02 0.11 0.00 -1.13 0.00 0.00 0.00 179.25 178.25 3kvv n SER 208 N -3.82 2.58 -0.39 0.00 3.41 -0.60 -4.23 113.62 110.56 3kvv n SER 208 Ca -0.02 -1.85 0.03 0.00 -0.26 0.00 0.00 58.87 56.76 3kvv n SER 208 Cb 0.19 -0.14 0.04 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 0.94 0.35 -1.56 4.33 6.02 -0.73 -5.01 117.38 121.72 3kvv n GLN 209 Ca 0.17 -1.44 -0.11 0.00 -0.01 0.00 0.00 57.00 55.62 3kvv n GLN 209 Cb 0.49 -0.77 -0.03 0.00 1.02 0.00 0.00 30.24 30.94 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 0.84 3.82 1.08 0.00 -1.01 -5.03 105.19 104.51 3kvv n GLY 210 Ca 0.04 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.58 3.94 -0.11 0.99 1.43 -0.53 -5.05 118.68 116.76 3kvv s LEU 211 Ca 0.00 0.03 -0.16 0.00 -1.03 0.00 0.00 54.13 52.97 3kvv s LEU 211 Cb 0.00 -2.59 -0.05 0.00 0.03 0.00 0.00 46.19 43.59 3kvv s LEU 211 CO 0.00 0.15 0.40 -0.13 0.23 0.00 0.00 176.35 176.99 3kvv s ARG 212 N -2.59 4.23 0.00 1.70 0.52 -0.21 -4.05 118.95 118.55 3kvv s ARG 212 Ca 0.31 0.31 0.01 0.00 -0.52 0.00 0.00 55.73 55.84 3kvv s ARG 212 Cb -0.12 -3.39 -0.01 0.00 0.52 0.00 0.00 34.95 31.95 3kvv s ARG 212 CO 0.24 0.29 -0.03 0.00 0.02 0.00 0.00 175.30 175.81 3kvv s ALA 213 N 0.26 0.21 0.23 2.13 0.00 -1.26 -0.02 121.76 123.31 3kvv s ALA 213 Ca 0.22 -0.20 0.02 0.00 0.00 0.00 0.00 51.96 52.00 3kvv s ALA 213 Cb -0.15 -0.02 -0.05 0.00 0.00 0.00 0.00 23.12 22.90 3kvv s ALA 213 CO 0.08 0.02 0.06 0.20 0.00 0.00 0.00 175.76 176.13 3kvv s GLY 214 N -0.30 1.55 -0.14 0.00 0.00 -0.58 -0.46 107.32 107.39 3kvv s GLY 214 Ca -0.02 -1.77 -0.06 0.00 0.00 0.00 0.00 44.72 42.88 3kvv s GLY 214 CO -0.00 -1.57 0.31 -0.29 0.00 0.00 0.00 173.10 171.55 3kvv s MET 215 N -3.99 0.24 0.00 2.90 1.75 -1.26 -1.57 119.30 117.37 3kvv s MET 215 Ca 0.33 0.76 0.03 0.00 -1.25 0.00 0.00 55.69 55.55 3kvv s MET 215 Cb 0.07 0.02 -0.01 0.00 2.84 0.00 0.00 34.83 37.75 3kvv s MET 215 CO 0.10 -0.23 -0.08 0.54 -0.65 0.00 0.00 175.02 174.70 3kvv s VAL 216 N 2.02 0.64 -0.01 10.11 0.11 -0.73 -1.85 120.40 130.69 3kvv s VAL 216 Ca -0.04 -0.46 -0.04 0.00 -2.93 0.00 0.00 61.98 58.51 3kvv s VAL 216 Cb -0.11 -0.56 -0.00 0.00 -1.53 0.00 0.00 36.38 34.18 3kvv s VAL 216 CO -0.10 0.10 0.09 0.00 -3.33 0.00 0.00 175.10 171.86 3kvv s ALA 217 N -0.35 -0.19 -0.02 1.54 0.00 -0.56 -1.32 121.76 120.86 3kvv s ALA 217 Ca 0.02 -0.12 -0.18 0.00 0.00 0.00 0.00 51.96 51.67 3kvv s ALA 217 Cb -0.04 0.04 -0.05 0.00 0.00 0.00 0.00 23.12 23.06 3kvv s ALA 217 CO -0.00 -0.15 0.52 0.20 0.00 0.00 0.00 175.76 176.33 3kvv s GLY 218 N -0.98 2.54 -0.27 0.00 0.00 -0.74 -0.68 107.32 107.19 3kvv s GLY 218 Ca -0.11 -0.08 -0.29 0.00 0.00 0.00 0.00 44.72 44.24 3kvv s GLY 218 CO 0.00 0.58 1.14 0.14 0.00 0.00 0.00 173.10 174.96 3kvv s VAL 219 N -0.32 4.45 -0.54 1.40 1.01 -0.12 -1.80 120.40 124.47 3kvv s VAL 219 Ca 0.28 1.70 0.13 0.00 0.00 0.00 0.00 61.98 64.08 3kvv s VAL 219 Cb -0.17 -4.27 -0.14 0.00 0.00 0.00 0.00 36.38 31.80 3kvv s VAL 219 CO 0.15 -0.34 0.51 2.30 0.00 0.00 0.00 175.10 177.72 3kvv n ILE 220 N 5.70 0.00 -3.71 2.22 -5.35 -0.40 -1.25 119.36 116.58 3kvv n ILE 220 Ca 0.13 -0.21 -0.13 0.00 -0.27 0.00 0.00 62.75 62.26 3kvv n ILE 220 Cb 0.46 0.93 -0.07 0.00 -1.74 0.00 0.00 39.64 39.22 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 -2.25 0.06 -0.21 7.28 0.11 -1.22 -4.97 120.40 119.20 3kvv s VAL 221 Ca 0.04 -0.46 0.01 0.00 -2.93 0.00 0.00 61.98 58.64 3kvv s VAL 221 Cb 0.09 -0.81 0.04 0.00 -1.53 0.00 0.00 36.38 34.18 3kvv s VAL 221 CO 0.52 -0.25 -0.13 0.21 -3.33 0.00 0.00 175.10 172.12 3kvv s ASN 222 N -1.63 3.60 0.37 3.54 3.84 -1.26 -0.47 114.94 122.92 3kvv s ASN 222 Ca -0.10 -0.96 0.27 0.00 0.21 0.00 0.00 52.86 52.28 3kvv s ASN 222 Cb -0.03 -1.37 1.30 0.00 -0.55 0.00 0.00 41.25 40.60 3kvv s ASN 222 CO 0.02 -0.12 1.81 0.03 -2.79 0.00 0.00 177.10 176.04 3kvv h ARG 223 N 7.92 0.00 0.00 0.43 2.47 -1.47 -2.86 114.38 120.87 3kvv h ARG 223 Ca -0.30 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.42 3kvv h ARG 223 Cb 1.09 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.41 3kvv h ARG 223 CO 0.51 0.00 -1.68 0.25 0.56 0.00 0.00 179.97 179.61 3kvv n THR 224 N -2.45 0.00 0.00 2.04 -2.24 -1.26 -5.08 114.28 105.29 3kvv n THR 224 Ca -0.00 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 3kvv n THR 224 Cb 0.13 0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 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 -2.02 0.00 0.00 -0.78 6.02 -1.08 -5.00 117.38 114.51 3kvv n GLN 225 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 3kvv n GLN 225 Cb 0.48 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.74 3kvv n GLN 225 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 3kvv n MET 234 N 0.00 0.00 -0.16 -1.09 0.00 -1.26 -4.95 117.12 109.66 3kvv n MET 234 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 57.70 57.61 3kvv n MET 234 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 3kvv n MET 234 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 175.97 177.54 3kvv h LYS 235 N 0.00 0.74 -0.36 0.03 5.09 -2.02 -1.39 116.57 118.65 3kvv h LYS 235 Ca 0.00 -0.18 -0.07 0.00 0.09 0.00 0.00 60.65 60.50 3kvv h LYS 235 Cb 0.00 -0.10 -0.01 0.00 0.10 0.00 0.00 32.23 32.22 3kvv h LYS 235 CO 0.00 0.73 -0.03 0.37 -2.09 0.00 0.00 179.45 178.43 3kvv h GLN 236 N 0.62 0.66 -0.72 0.07 4.15 -2.04 -1.68 115.11 116.17 3kvv h GLN 236 Ca 0.15 -0.23 0.08 0.00 0.77 0.00 0.00 58.65 59.42 3kvv h GLN 236 Cb 0.32 -0.05 -0.07 0.00 0.21 0.00 0.00 27.48 27.89 3kvv h GLN 236 CO 0.00 0.79 0.38 1.15 -1.93 0.00 0.00 178.83 179.21 3kvv h THR 237 N 0.47 0.89 -0.29 2.39 2.02 -1.92 -1.51 112.91 114.96 3kvv h THR 237 Ca 0.10 -0.22 0.04 0.00 0.77 0.00 0.00 66.41 67.09 3kvv h THR 237 Cb 0.51 0.18 -0.04 0.00 -1.74 0.00 0.00 68.15 67.06 3kvv h THR 237 CO 0.02 0.12 0.08 -0.08 0.37 0.00 0.00 175.52 176.03 3kvv h GLU 238 N 0.65 0.19 -0.74 6.66 4.81 -0.93 -2.32 114.58 122.90 3kvv h GLU 238 Ca 0.34 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.59 3kvv h GLU 238 Cb 0.32 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.62 3kvv h GLU 238 CO -0.24 0.12 0.49 0.77 -0.73 0.00 0.00 179.01 179.42 3kvv h SER 239 N 0.19 0.78 0.12 1.04 0.02 -0.44 -1.19 113.55 114.06 3kvv h SER 239 Ca 0.13 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 3kvv h SER 239 Cb 0.12 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.48 3kvv h SER 239 CO -0.16 0.54 -0.06 -0.74 -1.14 0.00 0.00 176.83 175.27 3kvv h HIS 240 N 0.91 -0.15 -0.41 3.45 2.76 -0.88 -1.62 115.15 119.21 3kvv h HIS 240 Ca 0.29 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.43 3kvv h HIS 240 Cb 0.04 0.05 -0.02 0.00 1.55 0.00 0.00 27.41 29.03 3kvv h HIS 240 CO -0.00 0.10 0.15 0.00 -1.30 0.00 0.00 177.93 176.88 3kvv h ALA 241 N 0.47 1.50 -0.55 5.26 0.00 -1.21 -2.46 119.26 122.27 3kvv h ALA 241 Ca -0.02 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 3kvv h ALA 241 Cb 0.31 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3kvv h ALA 241 CO 0.03 0.39 -0.07 0.28 0.00 0.00 0.00 179.25 179.87 3kvv h VAL 242 N 0.58 1.27 -0.68 0.00 2.07 -1.07 -1.14 116.25 117.29 3kvv h VAL 242 Ca 0.14 -1.22 -0.03 0.00 0.82 0.00 0.00 66.70 66.41 3kvv h VAL 242 Cb 0.14 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 3kvv h VAL 242 CO -0.01 0.44 0.32 0.50 0.02 0.00 0.00 177.57 178.83 3kvv h LYS 243 N 0.91 0.96 -0.39 1.57 3.64 -0.98 -2.04 116.57 120.24 3kvv h LYS 243 Ca 0.15 -0.13 -0.08 0.00 -1.27 0.00 0.00 60.65 59.32 3kvv h LYS 243 Cb 0.64 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 3kvv h LYS 243 CO 0.04 0.75 -0.06 0.82 -2.27 0.00 0.00 179.45 178.73 3kvv h ILE 244 N 0.96 1.27 -0.20 2.00 2.04 -1.09 -2.04 117.51 120.44 3kvv h ILE 244 Ca 0.23 -1.12 -0.14 0.00 1.00 0.00 0.00 64.86 64.83 3kvv h ILE 244 Cb 0.11 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 3kvv h ILE 244 CO -0.03 0.37 -0.47 1.62 0.00 0.00 0.00 178.15 179.64 3kvv h VAL 245 N 0.54 1.31 -0.52 1.67 3.04 -0.88 -0.24 116.25 121.19 3kvv h VAL 245 Ca 0.10 -1.68 -0.05 0.00 -1.01 0.00 0.00 66.70 64.07 3kvv h VAL 245 Cb 0.56 1.67 -0.02 0.00 -2.01 0.00 0.00 31.29 31.49 3kvv h VAL 245 CO 0.03 0.52 0.14 0.58 -1.01 0.00 0.00 177.57 177.83 3kvv h VAL 246 N 0.43 1.24 -0.51 1.51 2.07 -1.35 -0.92 116.25 118.71 3kvv h VAL 246 Ca 0.02 -0.83 -0.08 0.00 0.82 0.00 0.00 66.70 66.64 3kvv h VAL 246 Cb 0.99 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 3kvv h VAL 246 CO 0.09 0.30 -0.00 -0.08 0.02 0.00 0.00 177.57 177.90 3kvv h GLU 247 N 0.71 0.86 -0.55 1.57 4.57 -1.11 -1.79 114.58 118.84 3kvv h GLU 247 Ca 0.16 -0.24 -0.10 0.00 -1.18 0.00 0.00 59.36 58.01 3kvv h GLU 247 Cb 0.31 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.79 3kvv h GLU 247 CO -0.00 0.86 -0.04 0.00 -1.18 0.00 0.00 179.01 178.65 3kvv h ALA 248 N 1.20 0.89 -0.70 2.92 0.00 -0.87 -2.76 119.26 119.94 3kvv h ALA 248 Ca 0.15 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.76 3kvv h ALA 248 Cb 0.48 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 3kvv h ALA 248 CO 0.02 0.65 0.47 0.00 0.00 0.00 0.00 179.25 180.39 3kvv h ALA 249 N 1.06 0.89 -0.90 0.00 0.00 -0.83 -1.94 119.26 117.54 3kvv h ALA 249 Ca 0.16 -0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.15 3kvv h ALA 249 Cb 0.57 -0.28 -0.09 0.00 0.00 0.00 0.00 17.79 17.99 3kvv h ALA 249 CO 0.03 0.31 0.52 0.00 0.00 0.00 0.00 179.25 180.12 3kvv h ARG 250 N 0.95 0.76 0.00 0.00 3.08 -1.06 -1.14 114.38 116.97 3kvv h ARG 250 Ca 0.26 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.26 3kvv h ARG 250 Cb -0.11 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.77 3kvv h ARG 250 CO -0.06 0.50 0.00 0.54 -1.07 0.00 0.00 179.97 179.88 3kvv n ARG 251 N -4.76 0.07 0.00 0.04 1.74 -0.75 -3.31 116.66 109.70 3kvv n ARG 251 Ca 0.18 0.22 0.06 0.00 -0.77 0.00 0.00 57.85 57.54 3kvv n ARG 251 Cb 0.40 -1.62 0.05 0.00 -1.02 0.00 0.00 32.46 30.27 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 -1.75 1.99 0.00 0.55 4.77 -0.45 -5.07 117.00 117.04 3kvv n LEU 252 Ca 0.04 -1.00 0.09 0.00 -0.03 0.00 0.00 56.01 55.12 3kvv n LEU 252 Cb 0.26 0.00 0.53 0.00 -2.33 0.00 0.00 43.42 41.88 3kvv n LEU 252 CO 0.20 0.37 0.73 0.18 -1.33 0.00 0.00 177.39 177.55