#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1krv s MET 3 N 0.00 0.62 0.23 -3.83 -1.94 -1.26 -5.16 119.30 107.97 1krv s MET 3 Ca 0.00 0.03 -0.30 0.00 -1.71 0.00 0.00 55.69 53.71 1krv s MET 3 Cb 0.00 -0.03 -0.15 0.00 2.01 0.00 0.00 34.83 36.66 1krv s MET 3 CO 0.00 -1.11 0.96 -0.35 -0.01 0.00 0.00 175.02 174.51 1krv n PRO 4 N 4.94 1.00 -0.33 2.03 -0.04 -1.26 -4.75 135.00 136.59 1krv n PRO 4 Ca 0.07 0.35 0.22 0.00 -0.04 0.00 0.00 63.50 64.10 1krv n PRO 4 Cb 0.53 -1.69 0.42 0.00 -0.04 0.00 0.00 33.50 32.72 1krv n PRO 4 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 1krv h MET 5 N 2.25 0.03 0.00 0.54 2.86 -1.98 0.20 114.93 118.83 1krv h MET 5 Ca -0.39 -0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.21 1krv h MET 5 Cb 1.36 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 33.01 1krv h MET 5 CO 0.63 0.02 -0.20 1.79 1.06 0.00 0.00 176.91 180.21 1krv h THR 6 N 0.03 0.63 0.03 2.22 1.35 -1.93 -2.75 112.91 112.49 1krv h THR 6 Ca 0.71 -0.91 -0.23 0.00 -0.55 0.00 0.00 66.41 65.42 1krv h THR 6 Cb 1.66 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 69.68 1krv h THR 6 CO -0.83 0.20 -0.99 -0.33 -0.25 0.00 0.00 175.52 173.32 1krv h GLU 7 N 0.00 0.35 -0.27 4.72 5.08 -0.93 -3.14 114.58 120.39 1krv h GLU 7 Ca -0.00 -0.42 -0.07 0.00 -1.00 0.00 0.00 59.36 57.87 1krv h GLU 7 Cb 0.58 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 1krv h GLU 7 CO 0.03 1.11 -0.12 0.00 -1.00 0.00 0.00 179.01 179.02 1krv h ARG 8 N 0.18 0.46 -0.05 2.33 3.08 -1.31 -1.36 114.38 117.70 1krv h ARG 8 Ca -0.09 -0.13 0.02 0.00 0.07 0.00 0.00 59.98 59.86 1krv h ARG 8 Cb 1.65 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.62 1krv h ARG 8 CO 0.17 0.58 -0.10 0.82 -1.07 0.00 0.00 179.97 180.37 1krv h ILE 9 N 0.43 0.74 0.00 2.04 2.04 -1.45 0.48 117.51 121.78 1krv h ILE 9 Ca 0.08 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.94 1krv h ILE 9 Cb 0.47 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 1krv h ILE 9 CO 0.03 0.00 0.00 0.03 0.00 0.00 0.00 178.15 178.21 1krv h ARG 10 N -0.14 0.00 0.00 2.37 3.08 -1.48 -2.37 114.38 115.84 1krv h ARG 10 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1krv h ARG 10 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 1krv h ARG 10 CO -0.14 0.00 -0.70 0.00 -1.07 0.00 0.00 179.97 178.06 1krv n ALA 11 N -1.99 3.51 -1.87 0.04 0.00 -0.53 -4.94 120.51 114.73 1krv n ALA 11 Ca 0.02 -0.37 -0.01 0.00 0.00 0.00 0.00 53.44 53.08 1krv n ALA 11 Cb 0.35 -1.06 -0.00 0.00 0.00 0.00 0.00 19.45 18.73 1krv n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1krv n GLY 12 N 1.44 0.35 3.98 0.00 0.00 0.72 -5.05 105.19 106.62 1krv n GLY 12 Ca 0.04 -0.87 -0.20 0.00 0.00 0.00 0.00 46.02 44.99 1krv n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1krv s LYS 13 N -3.75 2.69 0.49 1.61 -0.14 0.14 -4.85 119.74 115.92 1krv s LYS 13 Ca 0.00 -0.90 -0.21 0.00 -1.36 0.00 0.00 55.97 53.50 1krv s LYS 13 Cb 0.00 -2.59 -0.07 0.00 -1.68 0.00 0.00 37.83 33.49 1krv s LYS 13 CO 0.00 -0.52 1.14 -0.51 -0.76 0.00 0.00 175.35 174.70 1krv s LEU 14 N -4.60 3.91 0.30 3.17 1.43 -1.26 -4.51 118.68 117.13 1krv s LEU 14 Ca 0.55 2.22 -0.18 0.00 -1.03 0.00 0.00 54.13 55.69 1krv s LEU 14 Cb -0.10 -4.39 0.02 0.00 0.03 0.00 0.00 46.19 41.76 1krv s LEU 14 CO 0.36 -1.00 0.69 0.72 0.23 0.00 0.00 176.35 177.36 1krv s PHE 15 N -1.66 0.02 0.08 0.29 -0.12 0.41 -4.88 117.98 112.10 1krv s PHE 15 Ca 0.67 -0.51 0.03 0.00 -0.05 0.00 0.00 56.93 57.07 1krv s PHE 15 Cb -0.26 0.64 -0.03 0.00 -0.63 0.00 0.00 43.02 42.74 1krv s PHE 15 CO 0.30 -1.28 -0.10 0.95 -0.05 0.00 0.00 175.22 175.04 1krv s THR 16 N -3.50 0.83 -0.38 -4.49 -4.23 -1.26 -0.73 115.64 101.88 1krv s THR 16 Ca 0.15 -1.43 0.07 0.00 -1.18 0.00 0.00 61.69 59.30 1krv s THR 16 Cb -0.05 -1.10 0.44 0.00 1.34 0.00 0.00 72.50 73.13 1krv s THR 16 CO 0.09 -0.47 1.12 -0.90 -0.54 0.00 0.00 174.62 173.92 1krv n ASP 17 N 0.93 4.37 -2.07 3.99 5.68 -1.26 -4.76 116.55 123.42 1krv n ASP 17 Ca -0.19 -3.57 -0.27 0.00 -0.50 0.00 0.00 54.79 50.26 1krv n ASP 17 Cb 0.56 -0.43 0.07 0.00 -1.14 0.00 0.00 41.12 40.18 1krv n ASP 17 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 1krv n MET 18 N -0.51 2.95 -3.83 0.11 2.81 -1.26 -4.06 117.12 113.33 1krv n MET 18 Ca 0.37 -3.63 -0.07 0.00 -1.81 0.00 0.00 57.70 52.57 1krv n MET 18 Cb 0.77 -2.23 0.01 0.00 -0.71 0.00 0.00 33.22 31.06 1krv n MET 18 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1krv n GLU 20 N -0.55 -6.20 -0.83 0.00 1.02 -1.26 -1.82 120.64 111.01 1krv n GLU 20 Ca -0.06 0.76 0.00 0.00 -0.02 0.00 0.00 57.16 57.84 1krv n GLU 20 Cb 0.60 -5.70 0.00 0.00 -0.02 0.00 0.00 31.44 26.31 1krv n GLU 20 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1krv n GLY 21 N -1.74 0.30 0.21 0.62 0.00 -1.26 -4.87 105.19 98.44 1krv n GLY 21 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 1krv n GLY 21 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1krv h LEU 22 N 0.00 -0.45 -0.64 0.99 3.38 -1.65 0.44 115.31 117.38 1krv h LEU 22 Ca 0.00 0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.12 1krv h LEU 22 Cb 0.27 0.16 -0.07 0.00 0.09 0.00 0.00 40.66 41.11 1krv h LEU 22 CO 0.00 -0.25 0.25 -0.65 0.09 0.00 0.00 178.44 177.89 1krv h PRO 23 N -0.35 0.43 -0.51 1.13 0.11 -1.79 -0.58 132.00 130.45 1krv h PRO 23 Ca 0.01 -0.03 0.07 0.00 0.11 0.00 0.00 66.00 66.16 1krv h PRO 23 Cb 0.34 -0.10 -0.06 0.00 0.11 0.00 0.00 31.00 31.30 1krv h PRO 23 CO -0.06 0.28 0.20 0.93 -0.21 0.00 0.00 178.00 179.14 1krv h GLU 24 N 0.44 0.37 -0.41 1.05 3.07 -1.80 -1.93 114.58 115.38 1krv h GLU 24 Ca 0.32 -0.02 0.03 0.00 -0.50 0.00 0.00 59.36 59.20 1krv h GLU 24 Cb 0.40 -0.08 -0.04 0.00 -0.84 0.00 0.00 28.75 28.19 1krv h GLU 24 CO -0.31 0.25 0.20 0.87 -1.40 0.00 0.00 179.01 178.61 1krv h LYS 25 N 0.38 0.39 -0.53 2.33 1.57 0.55 -1.80 116.57 119.46 1krv h LYS 25 Ca 0.24 -0.02 0.09 0.00 -1.87 0.00 0.00 60.65 59.09 1krv h LYS 25 Cb 0.25 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 1krv h LYS 25 CO -0.24 0.26 0.36 0.00 -0.57 0.00 0.00 179.45 179.26 1krv h ARG 26 N 0.40 0.33 0.01 3.15 3.08 -0.50 -2.40 114.38 118.45 1krv h ARG 26 Ca 0.18 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.20 1krv h ARG 26 Cb 0.09 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1krv h ARG 26 CO -0.13 0.22 -0.00 1.25 -1.07 0.00 0.00 179.97 180.24 1krv h LEU 27 N 0.34 -0.01 -0.93 3.04 5.85 -0.69 0.14 115.31 123.05 1krv h LEU 27 Ca 0.24 -0.45 0.11 0.00 0.84 0.00 0.00 57.88 58.62 1krv h LEU 27 Cb 0.52 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.47 1krv h LEU 27 CO -0.06 0.45 0.57 0.03 -0.34 0.00 0.00 178.44 179.09 1krv h ARG 28 N -0.47 0.90 -0.24 1.25 2.47 -1.05 0.50 114.38 117.74 1krv h ARG 28 Ca -0.00 -0.05 -0.15 0.00 -1.26 0.00 0.00 59.98 58.52 1krv h ARG 28 Cb 0.46 -0.20 -0.00 0.00 -1.65 0.00 0.00 29.97 28.58 1krv h ARG 28 CO 0.00 0.59 -0.42 0.78 0.56 0.00 0.00 179.97 181.49 1krv h GLY 29 N 0.92 0.77 2.00 0.04 0.00 -1.35 -2.42 103.07 103.04 1krv h GLY 29 Ca 0.45 -0.89 -0.03 0.00 0.00 0.00 0.00 47.33 46.87 1krv h GLY 29 CO -0.25 0.80 -0.12 0.50 0.00 0.00 0.00 176.54 177.46 1krv h LYS 30 N 0.43 0.00 0.08 4.80 6.56 -0.21 -1.02 116.57 127.21 1krv h LYS 30 Ca 0.02 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.60 1krv h LYS 30 Cb 1.01 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.68 1krv h LYS 30 CO 0.09 0.12 -0.04 1.15 -2.06 0.00 0.00 179.45 178.72 1krv h THR 31 N 0.00 1.18 -0.50 -0.16 2.02 -0.67 -1.66 112.91 113.11 1krv h THR 31 Ca -0.00 -1.13 -0.06 0.00 0.77 0.00 0.00 66.41 66.00 1krv h THR 31 Cb 0.51 1.89 -0.02 0.00 -1.74 0.00 0.00 68.15 68.79 1krv h THR 31 CO 0.02 0.27 0.08 -0.07 0.37 0.00 0.00 175.52 176.19 1krv h LEU 32 N -0.64 0.73 -0.86 2.58 3.38 -1.26 -2.22 115.31 117.01 1krv h LEU 32 Ca -0.01 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1krv h LEU 32 Cb 0.52 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 1krv h LEU 32 CO 0.02 0.75 0.55 -0.03 0.09 0.00 0.00 178.44 179.82 1krv h MET 33 N 0.75 1.16 -0.39 1.13 4.05 -1.18 -0.87 114.93 119.58 1krv h MET 33 Ca 0.16 -0.09 -0.07 0.00 -0.28 0.00 0.00 59.70 59.42 1krv h MET 33 Cb 0.33 -0.25 -0.01 0.00 -0.80 0.00 0.00 31.60 30.87 1krv h MET 33 CO 0.00 0.79 -0.04 -0.92 0.23 0.00 0.00 176.91 176.97 1krv h TYR 34 N 1.18 0.80 -0.78 1.39 3.20 -0.83 -0.94 116.97 120.99 1krv h TYR 34 Ca 0.31 -0.16 0.04 0.00 3.14 0.00 0.00 58.73 62.06 1krv h TYR 34 Cb -0.09 -0.20 -0.05 0.00 1.54 0.00 0.00 36.73 37.93 1krv h TYR 34 CO -0.01 0.83 0.49 0.93 -1.64 0.00 0.00 178.16 178.76 1krv h GLU 35 N 0.54 0.92 0.03 1.82 5.08 -1.12 -1.90 114.58 119.95 1krv h GLU 35 Ca 0.11 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1krv h GLU 35 Cb 0.54 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1krv h GLU 35 CO 0.03 0.61 -0.01 0.35 -1.00 0.00 0.00 179.01 178.98 1krv h PHE 36 N 0.95 -0.04 -0.03 4.33 3.57 -0.73 -2.59 116.94 122.40 1krv h PHE 36 Ca 0.32 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.72 1krv h PHE 36 Cb 0.04 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 1krv h PHE 36 CO -0.03 0.15 -0.44 -0.91 -2.23 0.00 0.00 178.31 174.85 1krv h ASN 37 N -0.21 0.06 0.08 0.41 -0.26 -1.05 -2.99 115.58 111.62 1krv h ASN 37 Ca -0.00 -0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.71 1krv h ASN 37 Cb 0.20 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.44 1krv h ASN 37 CO 0.01 0.49 -0.14 1.41 -1.06 0.00 0.00 177.43 178.14 1krv n HIS 38 N -4.02 0.00 -2.11 1.19 8.25 -0.73 -4.83 115.22 112.98 1krv n HIS 38 Ca -0.02 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.04 1krv n HIS 38 Cb 0.47 -0.05 -0.02 0.00 1.12 0.00 0.00 29.99 31.51 1krv n HIS 38 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1krv s SER 39 N -2.23 6.77 0.34 0.41 1.04 -0.98 -4.99 113.70 114.06 1krv s SER 39 Ca 0.30 2.66 -0.28 0.00 0.48 0.00 0.00 55.95 59.11 1krv s SER 39 Cb 0.20 -2.64 -0.10 0.00 0.10 0.00 0.00 66.02 63.58 1krv s SER 39 CO 0.42 -0.55 1.27 -2.28 0.98 0.00 0.00 173.24 173.08 1krv s HIS 40 N -0.90 3.10 0.50 5.02 2.46 -1.26 -4.91 115.29 119.30 1krv s HIS 40 Ca 0.51 1.46 0.37 0.00 0.47 0.00 0.00 55.06 57.86 1krv s HIS 40 Cb -0.40 -3.61 1.52 0.00 -0.13 0.00 0.00 32.58 29.96 1krv s HIS 40 CO 0.50 -1.68 1.67 -1.35 -2.47 0.00 0.00 174.74 171.42 1krv h PRO 41 N 3.33 0.07 -0.00 2.88 0.11 -1.99 0.33 132.00 136.73 1krv h PRO 41 Ca -0.49 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1krv h PRO 41 Cb 1.23 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1krv h PRO 41 CO 0.65 0.05 -0.08 -1.13 -0.21 0.00 0.00 178.00 177.28 1krv n SER 42 N -4.32 0.12 -2.88 -2.05 3.41 -1.26 -4.25 113.62 102.39 1krv n SER 42 Ca 0.35 0.16 -0.27 0.00 -0.26 0.00 0.00 58.87 58.85 1krv n SER 42 Cb 1.50 -0.31 -0.07 0.00 -0.26 0.00 0.00 64.21 65.07 1krv n SER 42 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1krv n GLU 43 N -1.40 2.83 -0.23 4.33 1.02 0.12 -4.62 120.64 122.69 1krv n GLU 43 Ca 0.09 -1.66 -0.07 0.00 -0.02 0.00 0.00 57.16 55.50 1krv n GLU 43 Cb 0.31 -2.47 0.04 0.00 -0.02 0.00 0.00 31.44 29.30 1krv n GLU 43 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1krv h VAL 44 N 2.77 1.22 -0.20 2.62 2.07 -1.82 -0.42 116.25 122.50 1krv h VAL 44 Ca 0.59 -0.65 -0.09 0.00 0.82 0.00 0.00 66.70 67.36 1krv h VAL 44 Cb 0.62 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1krv h VAL 44 CO 1.23 0.26 -0.22 -0.33 0.02 0.00 0.00 177.57 178.53 1krv h GLU 45 N 0.87 0.51 -0.78 1.57 3.07 -1.97 -2.14 114.58 115.70 1krv h GLU 45 Ca 0.21 -0.28 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 1krv h GLU 45 Cb 0.15 0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 28.03 1krv h GLU 45 CO -0.02 0.86 0.51 -0.22 -1.40 0.00 0.00 179.01 178.73 1krv h LYS 46 N 0.18 1.04 -0.61 2.33 3.64 -1.91 -1.64 116.57 119.60 1krv h LYS 46 Ca 0.03 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1krv h LYS 46 Cb 0.78 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 32.34 1krv h LYS 46 CO 0.05 0.70 0.39 0.00 -2.27 0.00 0.00 179.45 178.32 1krv h ARG 47 N 1.06 0.76 -0.42 1.90 3.08 -1.04 -0.61 114.38 119.11 1krv h ARG 47 Ca 0.28 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 60.19 1krv h ARG 47 Cb -0.10 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.76 1krv h ARG 47 CO -0.06 0.50 -0.13 0.93 -1.07 0.00 0.00 179.97 180.14 1krv h GLU 48 N 0.78 0.78 0.00 0.04 5.08 -0.76 -1.79 114.58 118.72 1krv h GLU 48 Ca 0.23 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1krv h GLU 48 Cb -0.04 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1krv h GLU 48 CO -0.07 0.87 -0.03 0.66 -1.00 0.00 0.00 179.01 179.44 1krv h SER 49 N 0.70 0.00 -0.06 1.42 4.64 -1.13 -3.10 113.55 116.02 1krv h SER 49 Ca 0.11 -0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.20 1krv h SER 49 Cb 0.62 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.72 1krv h SER 49 CO 0.04 0.00 -0.84 -0.07 -0.87 0.00 0.00 176.83 175.09 1krv h LEU 50 N 0.00 0.89 -0.83 5.97 3.38 -0.49 -2.04 115.31 122.18 1krv h LEU 50 Ca 0.00 -0.62 -0.07 0.00 0.09 0.00 0.00 57.88 57.28 1krv h LEU 50 Cb 0.89 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1krv h LEU 50 CO 0.00 1.41 -0.32 -0.29 0.09 0.00 0.00 178.44 179.33 1krv h ILE 51 N 0.48 0.72 -0.15 1.22 2.10 -1.36 -0.97 117.51 119.55 1krv h ILE 51 Ca -0.07 -1.46 -0.17 0.00 1.08 0.00 0.00 64.86 64.24 1krv h ILE 51 Cb 1.47 1.95 -0.00 0.00 -1.09 0.00 0.00 36.82 39.15 1krv h ILE 51 CO 0.17 0.32 -0.61 0.11 -1.08 0.00 0.00 178.15 177.06 1krv h LYS 52 N 0.00 0.53 0.02 2.19 1.57 -1.46 -3.16 116.57 116.26 1krv h LYS 52 Ca -0.00 -0.36 -0.24 0.00 -1.87 0.00 0.00 60.65 58.17 1krv h LYS 52 Cb 0.92 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.25 1krv h LYS 52 CO 0.04 0.98 -1.21 1.49 -0.57 0.00 0.00 179.45 180.18 1krv h GLU 53 N 0.39 0.04 0.00 3.15 4.57 -1.06 -3.38 114.58 118.29 1krv h GLU 53 Ca -0.01 -0.06 -0.15 0.00 -1.18 0.00 0.00 59.36 57.97 1krv h GLU 53 Cb 1.17 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.76 1krv h GLU 53 CO 0.11 0.91 -1.03 0.00 -1.18 0.00 0.00 179.01 177.83 1krv h MET 54 N 0.01 0.00 -6.11 1.92 -0.00 -1.25 -3.46 114.93 106.04 1krv h MET 54 Ca -0.10 0.00 -0.57 0.00 -0.00 0.00 0.00 59.70 59.03 1krv h MET 54 Cb 1.86 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 33.43 1krv h MET 54 CO 0.13 0.42 -0.39 -0.06 -0.00 0.00 0.00 176.91 177.01 1krv s PHE 55 N -2.92 3.49 0.23 -0.10 0.08 -1.19 -3.30 117.98 114.26 1krv s PHE 55 Ca 0.00 0.35 -0.08 0.00 0.12 0.00 0.00 56.93 57.31 1krv s PHE 55 Cb 0.08 -1.85 0.21 0.00 -0.57 0.00 0.00 43.02 40.90 1krv s PHE 55 CO 0.79 0.46 1.89 0.00 -0.10 0.00 0.00 175.22 178.26 1krv h ALA 56 N 2.50 1.09 -2.63 5.36 0.00 -1.00 -3.44 119.26 121.14 1krv h ALA 56 Ca -0.47 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.28 1krv h ALA 56 Cb 1.18 -0.33 -0.26 0.00 0.00 0.00 0.00 17.79 18.37 1krv h ALA 56 CO 0.71 0.46 -0.29 0.99 0.00 0.00 0.00 179.25 181.11 1krv s THR 57 N -6.12 -0.04 -0.04 0.00 2.01 -1.07 -5.00 115.64 105.37 1krv s THR 57 Ca -0.13 0.09 0.02 0.00 0.31 0.00 0.00 61.69 61.98 1krv s THR 57 Cb 0.16 -0.62 0.01 0.00 0.01 0.00 0.00 72.50 72.07 1krv s THR 57 CO 0.79 0.04 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.98 1krv s VAL 58 N 1.44 0.83 0.74 3.82 1.01 -1.25 -0.37 120.40 126.61 1krv s VAL 58 Ca -0.09 -0.33 -0.07 0.00 0.00 0.00 0.00 61.98 61.48 1krv s VAL 58 Cb -0.08 -0.77 0.08 0.00 0.00 0.00 0.00 36.38 35.60 1krv s VAL 58 CO -0.13 0.28 1.05 -0.83 0.00 0.00 0.00 175.10 175.47 1krv s GLY 59 N 0.55 1.70 0.71 4.51 0.00 -0.17 -4.98 107.32 109.64 1krv s GLY 59 Ca -0.09 -1.00 -0.14 0.00 0.00 0.00 0.00 44.72 43.48 1krv s GLY 59 CO 0.01 -0.54 1.15 1.85 0.00 0.00 0.00 173.10 175.57 1krv s GLU 60 N -5.32 2.42 -1.44 2.90 2.12 -1.26 -3.68 118.70 114.44 1krv s GLU 60 Ca 0.62 1.52 -0.04 0.00 0.36 0.00 0.00 54.97 57.43 1krv s GLU 60 Cb -0.10 -1.89 0.00 0.00 0.26 0.00 0.00 34.13 32.41 1krv s GLU 60 CO 0.46 -1.57 0.55 0.09 -0.54 0.00 0.00 175.26 174.25 1krv n ASN 61 N -2.70 -5.78 -4.86 -1.70 5.03 -1.26 -0.76 115.26 103.23 1krv n ASN 61 Ca 0.11 -0.26 -0.31 0.00 0.87 0.00 0.00 54.58 54.99 1krv n ASN 61 Cb 0.51 -4.61 -0.04 0.00 -1.02 0.00 0.00 39.78 34.62 1krv n ASN 61 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1krv s ALA 62 N -3.13 3.27 -0.26 5.41 0.00 -1.24 -3.66 121.76 122.15 1krv s ALA 62 Ca 0.27 -0.04 -0.09 0.00 0.00 0.00 0.00 51.96 52.10 1krv s ALA 62 Cb -0.12 -2.82 0.11 0.00 0.00 0.00 0.00 23.12 20.29 1krv s ALA 62 CO 0.34 0.04 0.57 -0.46 0.00 0.00 0.00 175.76 176.26 1krv s TRP 63 N -2.31 -1.15 -0.21 0.00 -0.11 0.43 -4.92 118.94 110.68 1krv s TRP 63 Ca 0.54 2.05 0.02 0.00 1.22 0.00 0.00 56.10 59.93 1krv s TRP 63 Cb -0.10 0.63 0.03 0.00 -1.50 0.00 0.00 33.47 32.53 1krv s TRP 63 CO 0.27 -0.60 -0.17 0.08 -4.62 0.00 0.00 176.95 171.91 1krv s VAL 64 N 2.73 2.11 -0.24 5.86 1.01 -1.26 -1.40 120.40 129.22 1krv s VAL 64 Ca -0.05 -1.17 -0.29 0.00 0.00 0.00 0.00 61.98 60.47 1krv s VAL 64 Cb -0.12 -2.01 0.00 0.00 0.00 0.00 0.00 36.38 34.26 1krv s VAL 64 CO -0.17 0.35 1.15 -0.70 0.00 0.00 0.00 175.10 175.73 1krv s GLU 65 N 1.23 4.17 0.76 2.72 2.56 -0.51 -4.99 118.70 124.63 1krv s GLU 65 Ca 0.00 1.39 -0.11 0.00 0.00 0.00 0.00 54.97 56.25 1krv s GLU 65 Cb -0.15 -3.73 0.05 0.00 2.00 0.00 0.00 34.13 32.30 1krv s GLU 65 CO -0.10 -0.77 1.08 -2.14 -0.56 0.00 0.00 175.26 172.77 1krv s PRO 66 N 3.51 2.36 0.64 4.30 0.02 -1.26 -4.08 135.00 140.48 1krv s PRO 66 Ca 0.49 1.03 -0.11 0.00 0.02 0.00 0.00 61.00 62.43 1krv s PRO 66 Cb -0.17 -1.92 -0.03 0.00 0.02 0.00 0.00 34.50 32.41 1krv s PRO 66 CO 0.13 -1.53 1.05 -1.25 -0.33 0.00 0.00 177.00 175.06 1krv s PRO 67 N -4.97 3.41 -0.02 5.54 0.04 -1.26 -4.62 135.00 133.12 1krv s PRO 67 Ca 0.60 0.71 0.03 0.00 0.04 0.00 0.00 61.00 62.38 1krv s PRO 67 Cb -0.16 -2.06 -0.00 0.00 0.04 0.00 0.00 34.50 32.32 1krv s PRO 67 CO 0.56 -0.70 -0.10 0.54 0.04 0.00 0.00 177.00 177.34 1krv s VAL 68 N -3.21 0.80 -0.06 -0.36 0.11 -1.26 -1.64 120.40 114.78 1krv s VAL 68 Ca 0.56 -0.40 0.04 0.00 -2.93 0.00 0.00 61.98 59.25 1krv s VAL 68 Cb -0.11 -0.69 0.00 0.00 -1.53 0.00 0.00 36.38 34.04 1krv s VAL 68 CO 0.54 0.24 -0.18 -0.31 -3.33 0.00 0.00 175.10 172.05 1krv s TYR 69 N 0.02 1.90 0.26 1.54 2.02 0.45 -4.94 117.35 118.60 1krv s TYR 69 Ca -0.00 -0.64 -0.08 0.00 -0.37 0.00 0.00 57.07 55.97 1krv s TYR 69 Cb -0.07 -1.30 -0.01 0.00 -0.40 0.00 0.00 41.96 40.19 1krv s TYR 69 CO 0.00 -0.25 0.41 -0.59 -1.57 0.00 0.00 175.55 173.55 1krv s PHE 70 N 0.23 0.67 -0.20 2.71 -0.12 -1.26 0.11 117.98 120.12 1krv s PHE 70 Ca -0.10 -0.98 -0.22 0.00 -0.05 0.00 0.00 56.93 55.59 1krv s PHE 70 Cb -0.14 -0.02 -0.19 0.00 -0.63 0.00 0.00 43.02 42.04 1krv s PHE 70 CO 0.04 -0.95 0.24 0.77 -0.05 0.00 0.00 175.22 175.27 1krv h SER 71 N 2.30 0.00 0.00 1.98 0.02 -1.83 -3.46 113.55 112.56 1krv h SER 71 Ca -0.29 -0.53 -0.00 0.00 -0.84 0.00 0.00 61.79 60.14 1krv h SER 71 Cb 1.25 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.79 1krv h SER 71 CO 0.40 1.42 -1.00 -1.22 -1.14 0.00 0.00 176.83 175.28 1krv n TYR 72 N -4.46 0.00 0.00 3.45 4.02 -1.26 -4.62 117.16 114.29 1krv n TYR 72 Ca -0.29 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.60 1krv n TYR 72 Cb 0.65 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.96 1krv n TYR 72 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1krv n GLY 73 N 3.12 2.71 0.00 2.72 0.00 -1.26 -4.42 105.19 108.06 1krv n GLY 73 Ca -0.00 -0.31 0.12 0.00 0.00 0.00 0.00 46.02 45.83 1krv n GLY 73 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1krv n SER 74 N 0.75 0.00 -0.78 1.61 3.41 -1.21 -2.65 113.62 114.76 1krv n SER 74 Ca 0.00 -1.24 0.08 0.00 -0.26 0.00 0.00 58.87 57.44 1krv n SER 74 Cb 0.00 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.10 1krv n SER 74 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1krv n ASN 75 N -0.87 2.87 -4.61 4.04 3.02 -1.26 -4.17 115.26 114.28 1krv n ASN 75 Ca 0.18 -1.85 -0.37 0.00 -0.03 0.00 0.00 54.58 52.51 1krv n ASN 75 Cb 0.08 -0.19 -0.10 0.00 -0.61 0.00 0.00 39.78 38.96 1krv n ASN 75 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1krv s ILE 76 N -1.12 5.12 -0.17 2.41 1.01 -1.09 -0.91 121.20 126.44 1krv s ILE 76 Ca 0.26 0.10 -0.00 0.00 0.00 0.00 0.00 60.65 61.01 1krv s ILE 76 Cb 0.15 -3.39 0.00 0.00 0.01 0.00 0.00 42.46 39.23 1krv s ILE 76 CO 0.21 0.34 -0.15 -1.00 0.00 0.00 0.00 174.94 174.33 1krv s HIS 77 N 1.22 2.80 0.01 3.97 3.76 0.53 -1.41 115.29 126.17 1krv s HIS 77 Ca 0.07 -1.22 0.07 0.00 -0.15 0.00 0.00 55.06 53.83 1krv s HIS 77 Cb -0.14 -1.93 -0.02 0.00 1.11 0.00 0.00 32.58 31.60 1krv s HIS 77 CO 0.05 -0.59 -0.22 0.42 -0.85 0.00 0.00 174.74 173.55 1krv s ILE 78 N 1.07 1.74 0.00 0.60 1.01 0.50 0.12 121.20 126.23 1krv s ILE 78 Ca -0.01 -1.07 0.00 0.00 0.00 0.00 0.00 60.65 59.58 1krv s ILE 78 Cb -0.14 -1.47 0.00 0.00 0.01 0.00 0.00 42.46 40.85 1krv s ILE 78 CO -0.04 0.38 0.00 0.61 0.00 0.00 0.00 174.94 175.88 1krv n GLY 79 N 2.22 1.11 3.91 6.18 0.00 -0.54 -1.91 105.19 116.17 1krv n GLY 79 Ca -0.16 -1.51 -0.28 0.00 0.00 0.00 0.00 46.02 44.06 1krv n GLY 79 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1krv s ARG 80 N 0.93 3.61 -1.51 1.61 0.52 -1.26 -1.00 118.95 121.85 1krv s ARG 80 Ca 0.00 -0.06 -0.05 0.00 -0.52 0.00 0.00 55.73 55.10 1krv s ARG 80 Cb 0.00 -2.67 0.04 0.00 0.52 0.00 0.00 34.95 32.84 1krv s ARG 80 CO 0.00 0.23 0.44 0.09 0.02 0.00 0.00 175.30 176.09 1krv n ASN 81 N -0.96 -0.87 -4.74 0.23 4.13 0.06 -0.77 115.26 112.35 1krv n ASN 81 Ca -0.02 -1.06 -0.40 0.00 1.68 0.00 0.00 54.58 54.78 1krv n ASN 81 Cb 0.54 -2.71 -0.05 0.00 -1.54 0.00 0.00 39.78 36.02 1krv n ASN 81 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1krv s PHE 82 N -3.85 3.74 -0.06 3.10 5.36 -1.24 -3.98 117.98 121.05 1krv s PHE 82 Ca 0.20 1.53 0.00 0.00 -0.96 0.00 0.00 56.93 57.71 1krv s PHE 82 Cb -0.11 -2.88 0.02 0.00 -0.34 0.00 0.00 43.02 39.71 1krv s PHE 82 CO 0.92 0.23 -0.04 -0.47 -1.46 0.00 0.00 175.22 174.41 1krv s TYR 83 N 0.06 0.79 -0.04 10.12 5.04 -0.76 -0.43 117.35 132.13 1krv s TYR 83 Ca 0.41 -0.24 0.04 0.00 -2.44 0.00 0.00 57.07 54.83 1krv s TYR 83 Cb -0.21 -0.74 0.00 0.00 0.35 0.00 0.00 41.96 41.36 1krv s TYR 83 CO 0.24 -0.25 -0.14 0.00 -1.34 0.00 0.00 175.55 174.06 1krv s ALA 84 N 1.22 1.31 0.77 3.97 0.00 -0.49 -1.11 121.76 127.42 1krv s ALA 84 Ca -0.06 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.34 1krv s ALA 84 Cb -0.14 -0.46 0.00 0.00 0.00 0.00 0.00 23.12 22.52 1krv s ALA 84 CO -0.02 0.22 0.00 -1.71 0.00 0.00 0.00 175.76 174.25 1krv n ASN 85 N 3.27 0.00 -4.70 0.00 2.85 -0.18 -1.43 115.26 115.07 1krv n ASN 85 Ca -0.19 -0.32 -0.37 0.00 -0.11 0.00 0.00 54.58 53.59 1krv n ASN 85 Cb 0.53 0.00 0.07 0.00 1.24 0.00 0.00 39.78 41.63 1krv n ASN 85 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1krv n PHE 86 N -0.57 1.64 -3.73 1.20 3.72 -1.26 -4.16 117.46 114.29 1krv n PHE 86 Ca 0.00 0.42 -0.32 0.00 -0.05 0.00 0.00 57.45 57.49 1krv n PHE 86 Cb 0.00 -2.22 0.04 0.00 -0.94 0.00 0.00 39.48 36.35 1krv n PHE 86 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1krv n ASN 87 N -1.85 -4.88 -4.70 4.37 3.02 -0.65 -0.56 115.26 110.02 1krv n ASN 87 Ca 0.15 -1.04 -0.39 0.00 -0.03 0.00 0.00 54.58 53.27 1krv n ASN 87 Cb 0.48 -3.22 -0.06 0.00 -0.61 0.00 0.00 39.78 36.37 1krv n ASN 87 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1krv s LEU 88 N -6.59 4.23 -0.15 3.41 2.96 -1.23 -3.20 118.68 118.11 1krv s LEU 88 Ca 0.45 0.87 -0.01 0.00 -0.22 0.00 0.00 54.13 55.22 1krv s LEU 88 Cb -0.17 -2.82 -0.01 0.00 0.50 0.00 0.00 46.19 43.69 1krv s LEU 88 CO 0.87 -0.12 -0.12 -0.89 -1.32 0.00 0.00 176.35 174.77 1krv s THR 89 N 1.15 3.07 -0.19 3.68 2.01 -0.28 -0.41 115.64 124.67 1krv s THR 89 Ca 0.29 -0.64 -0.03 0.00 0.31 0.00 0.00 61.69 61.61 1krv s THR 89 Cb -0.16 -2.31 0.06 0.00 0.01 0.00 0.00 72.50 70.10 1krv s THR 89 CO 0.12 0.51 0.03 -0.63 -0.69 0.00 0.00 174.62 173.96 1krv s ILE 90 N 0.58 0.52 -0.55 1.82 1.01 0.12 0.02 121.20 124.71 1krv s ILE 90 Ca -0.07 -0.53 -0.22 0.00 0.00 0.00 0.00 60.65 59.83 1krv s ILE 90 Cb -0.15 -1.01 0.06 0.00 0.01 0.00 0.00 42.46 41.36 1krv s ILE 90 CO 0.03 -0.19 0.81 -0.69 0.00 0.00 0.00 174.94 174.90 1krv s VAL 91 N 1.86 4.60 -0.77 2.92 1.01 0.13 -2.84 120.40 127.31 1krv s VAL 91 Ca -0.01 -0.21 0.03 0.00 0.00 0.00 0.00 61.98 61.80 1krv s VAL 91 Cb -0.17 -4.47 0.26 0.00 0.00 0.00 0.00 36.38 32.01 1krv s VAL 91 CO -0.08 -1.05 0.93 -0.90 0.00 0.00 0.00 175.10 174.00 1krv n ASP 92 N 6.92 4.45 0.03 3.32 5.75 -1.26 -2.49 116.55 133.28 1krv n ASP 92 Ca -0.03 -3.41 0.13 0.00 -0.01 0.00 0.00 54.79 51.46 1krv n ASP 92 Cb 0.46 -0.85 0.52 0.00 -1.03 0.00 0.00 41.12 40.22 1krv n ASP 92 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1krv n ASP 93 N 1.09 0.22 -3.44 -1.12 9.92 -1.26 -4.28 116.55 117.68 1krv n ASP 93 Ca 0.28 0.53 -0.14 0.00 -0.53 0.00 0.00 54.79 54.92 1krv n ASP 93 Cb 0.38 -0.58 -0.05 0.00 -0.64 0.00 0.00 41.12 40.23 1krv n ASP 93 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 1krv s TYR 94 N -3.04 1.08 0.26 1.24 5.04 -1.26 -5.05 117.35 115.62 1krv s TYR 94 Ca 0.12 -1.29 -0.30 0.00 -2.44 0.00 0.00 57.07 53.16 1krv s TYR 94 Cb 0.16 -0.18 -0.14 0.00 0.35 0.00 0.00 41.96 42.15 1krv s TYR 94 CO 0.50 -1.04 1.24 2.41 -1.34 0.00 0.00 175.55 177.33 1krv n THR 95 N -0.52 1.38 -4.04 4.34 -1.04 -1.26 -4.80 114.28 108.34 1krv n THR 95 Ca 0.02 -0.35 -0.22 0.00 -2.04 0.00 0.00 64.05 61.46 1krv n THR 95 Cb 0.62 -1.25 -0.17 0.00 -1.82 0.00 0.00 70.33 67.72 1krv n THR 95 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1krv s VAL 96 N -0.52 0.61 -0.14 12.58 1.01 -0.09 -2.70 120.40 131.14 1krv s VAL 96 Ca 0.65 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.53 1krv s VAL 96 Cb -0.69 -0.66 0.02 0.00 0.00 0.00 0.00 36.38 35.05 1krv s VAL 96 CO 0.55 0.27 -0.15 -0.89 0.00 0.00 0.00 175.10 174.88 1krv s THR 97 N 1.33 1.60 -0.12 3.92 2.01 0.11 -0.34 115.64 124.14 1krv s THR 97 Ca -0.04 -0.66 0.01 0.00 0.31 0.00 0.00 61.69 61.30 1krv s THR 97 Cb -0.14 -1.49 -0.01 0.00 0.01 0.00 0.00 72.50 70.88 1krv s THR 97 CO -0.02 0.46 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.58 1krv s ILE 98 N 1.35 2.81 0.00 1.82 1.01 0.12 -0.30 121.20 128.01 1krv s ILE 98 Ca 0.02 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 59.92 1krv s ILE 98 Cb -0.13 -2.16 0.00 0.00 0.01 0.00 0.00 42.46 40.18 1krv s ILE 98 CO -0.09 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.00 1krv n GLY 99 N 3.52 -0.05 3.86 6.18 0.00 0.20 -1.47 105.19 117.43 1krv n GLY 99 Ca -0.18 -1.50 -0.33 0.00 0.00 0.00 0.00 46.02 44.01 1krv n GLY 99 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1krv s ASP 100 N -1.10 6.73 -1.43 1.61 1.01 -1.26 -3.03 116.67 119.21 1krv s ASP 100 Ca 0.00 1.06 -0.07 0.00 0.71 0.00 0.00 52.55 54.25 1krv s ASP 100 Cb 0.00 -2.28 0.04 0.00 1.01 0.00 0.00 42.92 41.69 1krv s ASP 100 CO 0.00 -0.04 0.82 0.59 0.21 0.00 0.00 175.17 176.74 1krv n ASN 101 N 0.13 -2.86 -4.76 0.27 4.13 0.05 0.64 115.26 112.86 1krv n ASN 101 Ca -0.01 -0.82 -0.38 0.00 1.68 0.00 0.00 54.58 55.05 1krv n ASN 101 Cb 0.52 -3.89 -0.06 0.00 -1.54 0.00 0.00 39.78 34.81 1krv n ASN 101 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1krv s VAL 102 N -3.51 4.99 -0.17 2.41 1.01 -1.26 -3.64 120.40 120.24 1krv s VAL 102 Ca 0.33 1.12 0.00 0.00 0.00 0.00 0.00 61.98 63.43 1krv s VAL 102 Cb -0.16 -3.87 0.01 0.00 0.00 0.00 0.00 36.38 32.35 1krv s VAL 102 CO 0.83 0.42 -0.17 -0.76 0.00 0.00 0.00 175.10 175.42 1krv s LEU 103 N -0.11 2.35 -0.13 3.92 1.43 -0.27 -1.83 118.68 124.03 1krv s LEU 103 Ca 0.29 -0.54 0.02 0.00 -1.03 0.00 0.00 54.13 52.87 1krv s LEU 103 Cb -0.17 -1.53 0.01 0.00 0.03 0.00 0.00 46.19 44.53 1krv s LEU 103 CO 0.15 0.05 -0.19 -0.63 0.23 0.00 0.00 176.35 175.96 1krv s ILE 104 N 1.02 1.83 1.04 -0.59 1.01 -0.27 -0.87 121.20 124.37 1krv s ILE 104 Ca -0.02 -0.83 -0.17 0.00 0.00 0.00 0.00 60.65 59.63 1krv s ILE 104 Cb -0.15 -1.64 0.23 0.00 0.01 0.00 0.00 42.46 40.91 1krv s ILE 104 CO -0.04 0.50 1.24 0.00 0.00 0.00 0.00 174.94 176.64 1krv s ALA 105 N 0.96 1.65 0.47 9.38 0.00 -0.73 -1.01 121.76 132.47 1krv s ALA 105 Ca -0.05 -1.09 -0.24 0.00 0.00 0.00 0.00 51.96 50.58 1krv s ALA 105 Cb -0.15 -2.82 -0.07 0.00 0.00 0.00 0.00 23.12 20.08 1krv s ALA 105 CO -0.03 -2.84 1.34 -2.14 0.00 0.00 0.00 175.76 172.09 1krv s PRO 106 N -5.70 3.62 -0.68 0.00 0.02 -1.26 -4.22 135.00 126.78 1krv s PRO 106 Ca 0.73 2.21 -0.06 0.00 0.02 0.00 0.00 61.00 63.90 1krv s PRO 106 Cb -0.06 -2.54 0.01 0.00 0.02 0.00 0.00 34.50 31.92 1krv s PRO 106 CO 0.54 -0.79 0.66 0.09 -0.33 0.00 0.00 177.00 177.17 1krv n ASN 107 N -0.37 -7.13 -4.35 2.53 3.02 0.28 -2.59 115.26 106.65 1krv n ASN 107 Ca 0.06 -0.13 -0.28 0.00 -0.03 0.00 0.00 54.58 54.20 1krv n ASN 107 Cb 0.44 -4.41 -0.14 0.00 -0.61 0.00 0.00 39.78 35.07 1krv n ASN 107 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1krv s VAL 108 N -2.82 2.08 -0.08 2.41 1.01 -1.19 -0.52 120.40 121.29 1krv s VAL 108 Ca 0.07 -1.56 0.01 0.00 0.00 0.00 0.00 61.98 60.51 1krv s VAL 108 Cb -0.02 -1.83 0.02 0.00 0.00 0.00 0.00 36.38 34.56 1krv s VAL 108 CO 0.79 0.17 -0.09 -0.89 0.00 0.00 0.00 175.10 175.08 1krv s THR 109 N -0.97 0.95 -0.12 3.92 2.01 -0.80 -1.12 115.64 119.52 1krv s THR 109 Ca 0.12 -0.33 0.02 0.00 0.31 0.00 0.00 61.69 61.81 1krv s THR 109 Cb -0.10 -0.93 -0.00 0.00 0.01 0.00 0.00 72.50 71.48 1krv s THR 109 CO 0.04 0.33 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.35 1krv s LEU 110 N 1.07 2.35 -0.09 4.42 1.02 0.10 -1.16 118.68 126.40 1krv s LEU 110 Ca -0.07 -0.47 -0.04 0.00 0.02 0.00 0.00 54.13 53.57 1krv s LEU 110 Cb -0.14 -1.50 0.05 0.00 0.02 0.00 0.00 46.19 44.61 1krv s LEU 110 CO -0.01 0.15 0.19 -0.55 0.02 0.00 0.00 176.35 176.15 1krv s SER 111 N 0.42 0.24 0.01 2.29 0.15 -0.73 0.18 113.70 116.26 1krv s SER 111 Ca -0.14 0.40 0.25 0.00 0.70 0.00 0.00 55.95 57.16 1krv s SER 111 Cb -0.17 0.35 0.50 0.00 -1.71 0.00 0.00 66.02 64.99 1krv s SER 111 CO 0.06 -0.20 1.41 1.33 1.20 0.00 0.00 173.24 177.04 1krv n VAL 112 N 4.80 0.02 -3.97 4.45 0.24 -1.04 -1.36 118.33 121.47 1krv n VAL 112 Ca -0.15 -0.01 -0.34 0.00 -2.04 0.00 0.00 64.34 61.80 1krv n VAL 112 Cb 0.51 0.23 -0.06 0.00 -1.47 0.00 0.00 33.84 33.05 1krv n VAL 112 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1krv s THR 113 N -3.01 5.22 0.27 3.34 2.01 -1.26 -0.33 115.64 121.87 1krv s THR 113 Ca 0.11 -0.19 -0.07 0.00 0.31 0.00 0.00 61.69 61.84 1krv s THR 113 Cb 0.17 -3.40 -0.01 0.00 0.01 0.00 0.00 72.50 69.27 1krv s THR 113 CO 0.70 0.37 0.40 -0.83 -0.69 0.00 0.00 174.62 174.57 1krv s GLY 114 N -1.77 1.04 0.10 4.40 0.00 -0.82 -4.75 107.32 105.53 1krv s GLY 114 Ca 0.24 -1.26 0.09 0.00 0.00 0.00 0.00 44.72 43.79 1krv s GLY 114 CO 0.15 -0.92 -0.24 0.30 0.00 0.00 0.00 173.10 172.40 1krv s HIS 115 N -3.75 2.02 0.25 1.90 3.76 -1.26 -2.30 115.29 115.92 1krv s HIS 115 Ca 0.29 -0.40 -0.31 0.00 -0.15 0.00 0.00 55.06 54.49 1krv s HIS 115 Cb 0.01 -1.12 -0.12 0.00 1.11 0.00 0.00 32.58 32.46 1krv s HIS 115 CO 0.13 0.23 1.67 -0.35 -0.85 0.00 0.00 174.74 175.57 1krv n PRO 116 N 1.17 2.76 -0.18 8.40 -0.04 -1.26 -4.87 135.00 140.97 1krv n PRO 116 Ca -0.18 0.99 0.03 0.00 -0.04 0.00 0.00 63.50 64.29 1krv n PRO 116 Cb 0.53 -2.81 0.30 0.00 -0.04 0.00 0.00 33.50 31.48 1krv n PRO 116 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1krv h VAL 117 N 3.58 1.13 -3.21 0.52 2.07 -1.99 -3.41 116.25 114.94 1krv h VAL 117 Ca -0.45 -0.30 -0.57 0.00 0.82 0.00 0.00 66.70 66.20 1krv h VAL 117 Cb 1.21 0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 31.09 1krv h VAL 117 CO 0.88 0.16 0.94 -2.28 0.02 0.00 0.00 177.57 177.29 1krv s HIS 118 N -5.76 2.81 0.31 1.57 5.65 -1.26 -4.89 115.29 113.72 1krv s HIS 118 Ca -0.10 0.94 0.13 0.00 0.25 0.00 0.00 55.06 56.28 1krv s HIS 118 Cb 0.18 -3.88 0.70 0.00 -1.18 0.00 0.00 32.58 28.40 1krv s HIS 118 CO 0.77 -1.45 1.30 1.12 -0.65 0.00 0.00 174.74 175.83 1krv h HIS 119 N 8.97 0.00 -0.06 3.88 -0.00 -1.96 -0.34 115.15 125.64 1krv h HIS 119 Ca -0.25 0.00 -0.09 0.00 -0.00 0.00 0.00 60.37 60.03 1krv h HIS 119 Cb 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.50 1krv h HIS 119 CO 0.87 0.00 -0.33 1.49 -0.00 0.00 0.00 177.93 179.96 1krv h GLU 120 N 0.00 0.32 0.00 5.12 4.57 -1.93 -3.04 114.58 119.63 1krv h GLU 120 Ca 0.00 -0.27 -0.05 0.00 -1.18 0.00 0.00 59.36 57.86 1krv h GLU 120 Cb 0.97 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.61 1krv h GLU 120 CO 0.00 0.93 -0.23 -0.07 -1.18 0.00 0.00 179.01 178.46 1krv h LEU 121 N -0.19 0.00 -3.56 1.64 3.38 -1.40 -3.09 115.31 112.09 1krv h LEU 121 Ca -0.03 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.66 1krv h LEU 121 Cb 1.00 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.58 1krv h LEU 121 CO 0.07 0.23 0.16 -2.11 0.09 0.00 0.00 178.44 176.87 1krv n ARG 122 N -3.64 2.05 -0.26 1.13 1.85 -1.20 -4.44 116.66 112.15 1krv n ARG 122 Ca -0.01 -3.13 0.15 0.00 -1.00 0.00 0.00 57.85 53.87 1krv n ARG 122 Cb 0.36 -1.94 0.44 0.00 -1.05 0.00 0.00 32.46 30.26 1krv n ARG 122 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 1krv h LYS 123 N 1.07 0.54 -0.60 2.89 1.57 -1.45 -1.21 116.57 119.39 1krv h LYS 123 Ca 0.35 -0.03 -0.36 0.00 -1.87 0.00 0.00 60.65 58.73 1krv h LYS 123 Cb 2.05 -0.12 -0.22 0.00 0.08 0.00 0.00 32.23 34.02 1krv h LYS 123 CO 0.62 0.36 0.03 0.09 -0.57 0.00 0.00 179.45 179.98 1krv n ASN 124 N -4.56 3.80 -2.62 0.86 5.03 -1.26 -4.91 115.26 111.60 1krv n ASN 124 Ca 0.19 -3.77 -0.21 0.00 0.87 0.00 0.00 54.58 51.66 1krv n ASN 124 Cb 0.58 -0.67 0.02 0.00 -1.02 0.00 0.00 39.78 38.69 1krv n ASN 124 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1krv n GLY 125 N -1.03 -0.45 3.74 7.41 0.00 -0.46 -4.94 105.19 109.47 1krv n GLY 125 Ca 0.43 0.03 -0.38 0.00 0.00 0.00 0.00 46.02 46.10 1krv n GLY 125 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1krv s GLU 126 N -5.39 2.81 0.22 1.61 8.01 -1.26 -4.87 118.70 119.83 1krv s GLU 126 Ca 0.18 2.17 -0.00 0.00 0.01 0.00 0.00 54.97 57.32 1krv s GLU 126 Cb -0.08 -2.04 -0.04 0.00 -4.31 0.00 0.00 34.13 27.67 1krv s GLU 126 CO 0.22 -1.43 0.16 0.00 0.01 0.00 0.00 175.26 174.22 1krv s MET 127 N -3.16 1.28 -0.00 1.61 0.23 0.09 -4.32 119.30 115.03 1krv s MET 127 Ca 0.78 -1.67 -0.01 0.00 -1.03 0.00 0.00 55.69 53.76 1krv s MET 127 Cb -0.39 0.28 -0.00 0.00 -1.53 0.00 0.00 34.83 33.19 1krv s MET 127 CO 0.44 -0.43 0.01 1.52 -2.03 0.00 0.00 175.02 174.53 1krv s TYR 128 N -4.06 0.01 -0.06 3.16 -0.85 -0.97 -0.44 117.35 114.14 1krv s TYR 128 Ca 0.39 -0.02 0.04 0.00 -0.52 0.00 0.00 57.07 56.96 1krv s TYR 128 Cb 0.06 -0.02 0.00 0.00 0.38 0.00 0.00 41.96 42.39 1krv s TYR 128 CO 0.14 -0.03 -0.18 -1.12 -1.52 0.00 0.00 175.55 172.84 1krv s SER 129 N -0.17 2.33 -0.17 -0.18 0.01 -1.26 -1.94 113.70 112.33 1krv s SER 129 Ca -0.02 -0.39 -0.02 0.00 1.31 0.00 0.00 55.95 56.83 1krv s SER 129 Cb -0.01 -0.81 0.05 0.00 0.21 0.00 0.00 66.02 65.46 1krv s SER 129 CO -0.00 0.14 0.01 -0.36 0.41 0.00 0.00 173.24 173.44 1krv s PHE 130 N 0.20 1.20 0.15 2.43 0.08 0.55 -4.67 117.98 117.92 1krv s PHE 130 Ca -0.09 -0.86 -0.32 0.00 0.12 0.00 0.00 56.93 55.78 1krv s PHE 130 Cb -0.14 -1.09 -0.17 0.00 -0.57 0.00 0.00 43.02 41.05 1krv s PHE 130 CO 0.04 -0.58 0.80 -0.35 -0.10 0.00 0.00 175.22 175.03 1krv n PRO 131 N 5.00 0.27 -4.32 0.24 -0.04 -1.26 0.10 135.00 134.99 1krv n PRO 131 Ca -0.09 0.09 -0.35 0.00 -0.04 0.00 0.00 63.50 63.11 1krv n PRO 131 Cb 0.47 -1.33 -0.09 0.00 -0.04 0.00 0.00 33.50 32.51 1krv n PRO 131 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1krv s ILE 132 N -0.61 4.40 -0.13 0.52 1.01 -1.10 -3.50 121.20 121.80 1krv s ILE 132 Ca 0.72 -0.21 -0.00 0.00 0.00 0.00 0.00 60.65 61.16 1krv s ILE 132 Cb -1.00 -2.87 0.02 0.00 0.01 0.00 0.00 42.46 38.63 1krv s ILE 132 CO 0.56 0.59 -0.10 -0.89 0.00 0.00 0.00 174.94 175.10 1krv s THR 133 N -0.77 1.24 -0.20 2.92 2.01 -0.88 -0.71 115.64 119.25 1krv s THR 133 Ca 0.12 -0.43 -0.03 0.00 0.31 0.00 0.00 61.69 61.66 1krv s THR 133 Cb -0.12 -1.22 -0.01 0.00 0.01 0.00 0.00 72.50 71.17 1krv s THR 133 CO 0.02 0.40 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.67 1krv s ILE 134 N 1.61 3.35 0.38 1.82 -1.09 0.59 -1.01 121.20 126.85 1krv s ILE 134 Ca 0.05 -0.51 -0.06 0.00 -2.23 0.00 0.00 60.65 57.89 1krv s ILE 134 Cb -0.13 -2.50 0.10 0.00 -1.58 0.00 0.00 42.46 38.35 1krv s ILE 134 CO -0.09 0.45 0.26 0.61 -1.23 0.00 0.00 174.94 174.93 1krv n GLY 135 N 4.46 -3.37 3.88 6.18 0.00 0.21 -0.63 105.19 115.92 1krv n GLY 135 Ca -0.18 -1.32 -0.30 0.00 0.00 0.00 0.00 46.02 44.22 1krv n GLY 135 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1krv s ASN 136 N -2.30 6.47 -1.52 1.61 0.01 -1.26 -3.58 114.94 114.37 1krv s ASN 136 Ca 0.19 1.05 -0.14 0.00 -0.71 0.00 0.00 52.86 53.25 1krv s ASN 136 Cb -0.03 -2.29 0.10 0.00 0.41 0.00 0.00 41.25 39.44 1krv s ASN 136 CO 0.15 -0.41 0.80 0.59 -1.51 0.00 0.00 177.10 176.73 1krv n ASN 137 N -1.43 -4.28 -4.73 -1.22 5.03 0.21 0.06 115.26 108.88 1krv n ASN 137 Ca 0.02 -0.72 -0.36 0.00 0.87 0.00 0.00 54.58 54.39 1krv n ASN 137 Cb 0.54 -3.46 -0.07 0.00 -1.02 0.00 0.00 39.78 35.77 1krv n ASN 137 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1krv s VAL 138 N -3.20 5.31 -0.26 2.41 1.01 -1.25 -3.69 120.40 120.73 1krv s VAL 138 Ca 0.61 0.53 -0.01 0.00 0.00 0.00 0.00 61.98 63.11 1krv s VAL 138 Cb -0.31 -3.62 0.03 0.00 0.00 0.00 0.00 36.38 32.47 1krv s VAL 138 CO 0.75 0.40 -0.06 0.86 0.00 0.00 0.00 175.10 177.06 1krv s TRP 139 N 0.38 3.10 -0.23 5.22 -0.00 -0.66 -1.12 118.94 125.64 1krv s TRP 139 Ca 0.16 -1.64 -0.11 0.00 -0.00 0.00 0.00 56.10 54.51 1krv s TRP 139 Cb -0.13 -2.06 -0.05 0.00 -0.00 0.00 0.00 33.47 31.23 1krv s TRP 139 CO 0.04 -0.75 0.17 0.42 -0.00 0.00 0.00 176.95 176.82 1krv s ILE 140 N 1.30 5.36 1.08 5.86 1.01 -0.05 -1.09 121.20 134.67 1krv s ILE 140 Ca -0.01 0.21 -0.18 0.00 0.00 0.00 0.00 60.65 60.67 1krv s ILE 140 Cb -0.17 -3.51 0.25 0.00 0.01 0.00 0.00 42.46 39.04 1krv s ILE 140 CO -0.04 0.36 1.24 -0.83 0.00 0.00 0.00 174.94 175.67 1krv s GLY 141 N 0.92 1.71 0.48 6.18 0.00 0.11 -1.78 107.32 114.95 1krv s GLY 141 Ca 0.08 -1.14 -0.23 0.00 0.00 0.00 0.00 44.72 43.43 1krv s GLY 141 CO 0.03 -0.30 1.27 -0.56 0.00 0.00 0.00 173.10 173.55 1krv s SER 142 N -4.50 5.83 -1.91 1.64 0.01 -1.26 -3.56 113.70 109.95 1krv s SER 142 Ca 0.73 2.56 0.00 0.00 1.31 0.00 0.00 55.95 60.56 1krv s SER 142 Cb -0.06 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.55 1krv s SER 142 CO 0.54 -1.17 0.00 1.41 0.41 0.00 0.00 173.24 174.43 1krv n HIS 143 N -0.59 -0.05 -1.59 2.43 8.25 0.32 -0.04 115.22 123.96 1krv n HIS 143 Ca 0.08 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.23 1krv n HIS 143 Cb 0.46 -3.23 0.05 0.00 1.12 0.00 0.00 29.99 28.39 1krv n HIS 143 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1krv s VAL 144 N -2.52 4.06 -0.05 1.59 1.01 -1.23 -4.25 120.40 119.00 1krv s VAL 144 Ca 0.00 0.67 0.01 0.00 0.00 0.00 0.00 61.98 62.66 1krv s VAL 144 Cb 0.00 -3.42 0.02 0.00 0.00 0.00 0.00 36.38 32.98 1krv s VAL 144 CO 0.00 -0.87 -0.04 -0.69 0.00 0.00 0.00 175.10 173.50 1krv s VAL 145 N -3.04 0.54 -0.24 2.92 1.01 -0.77 -1.90 120.40 118.92 1krv s VAL 145 Ca 0.58 -0.09 -0.04 0.00 0.00 0.00 0.00 61.98 62.43 1krv s VAL 145 Cb -0.14 -0.58 0.00 0.00 0.00 0.00 0.00 36.38 35.66 1krv s VAL 145 CO 0.55 0.24 -0.03 -0.63 0.00 0.00 0.00 175.10 175.23 1krv s ILE 146 N 1.12 3.35 0.74 2.22 1.01 -0.30 -0.10 121.20 129.24 1krv s ILE 146 Ca -0.08 -0.66 -0.09 0.00 0.00 0.00 0.00 60.65 59.82 1krv s ILE 146 Cb -0.14 -2.60 0.06 0.00 0.01 0.00 0.00 42.46 39.79 1krv s ILE 146 CO -0.01 0.31 1.08 0.20 0.00 0.00 0.00 174.94 176.52 1krv s ASN 147 N 1.45 4.77 0.43 3.58 0.02 -0.23 -1.77 114.94 123.19 1krv s ASN 147 Ca 0.04 0.65 -0.23 0.00 -1.02 0.00 0.00 52.86 52.30 1krv s ASN 147 Cb -0.15 -1.26 -0.11 0.00 0.02 0.00 0.00 41.25 39.74 1krv s ASN 147 CO -0.03 -1.68 0.75 -2.65 0.02 0.00 0.00 177.10 173.52 1krv n PRO 148 N -3.07 0.88 -0.62 -0.60 -0.02 -0.46 -3.09 135.00 128.01 1krv n PRO 148 Ca 0.08 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 1krv n PRO 148 Cb 0.60 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.33 1krv n PRO 148 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1krv n GLY 149 N 1.52 0.23 3.75 -1.23 0.00 0.29 -4.94 105.19 104.82 1krv n GLY 149 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 1krv n GLY 149 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1krv s VAL 150 N -1.70 2.75 -0.05 1.61 1.01 -1.18 -4.86 120.40 117.99 1krv s VAL 150 Ca 0.00 0.42 -0.00 0.00 0.00 0.00 0.00 61.98 62.40 1krv s VAL 150 Cb 0.00 -3.08 0.03 0.00 0.00 0.00 0.00 36.38 33.33 1krv s VAL 150 CO 0.00 -0.14 -0.00 -0.89 0.00 0.00 0.00 175.10 174.07 1krv s THR 151 N -1.83 0.30 -0.24 3.92 2.01 -1.26 -2.07 115.64 116.47 1krv s THR 151 Ca 0.74 0.10 -0.06 0.00 0.31 0.00 0.00 61.69 62.78 1krv s THR 151 Cb -0.27 -0.42 -0.02 0.00 0.01 0.00 0.00 72.50 71.79 1krv s THR 151 CO 0.36 0.21 0.03 -0.63 -0.69 0.00 0.00 174.62 173.90 1krv s ILE 152 N 1.52 3.99 0.69 1.82 -1.09 -0.18 -0.17 121.20 127.79 1krv s ILE 152 Ca -0.02 -0.28 -0.14 0.00 -2.23 0.00 0.00 60.65 57.97 1krv s ILE 152 Cb -0.13 -2.85 0.02 0.00 -1.58 0.00 0.00 42.46 37.92 1krv s ILE 152 CO -0.03 0.37 1.12 -0.83 -1.23 0.00 0.00 174.94 174.34 1krv s GLY 153 N 1.53 2.10 0.43 6.18 0.00 0.12 -0.62 107.32 117.06 1krv s GLY 153 Ca 0.06 0.55 -0.24 0.00 0.00 0.00 0.00 44.72 45.10 1krv s GLY 153 CO 0.01 0.92 0.88 1.22 0.00 0.00 0.00 173.10 176.13 1krv n ASP 154 N -2.67 0.66 0.00 1.64 8.00 -1.26 -2.96 116.55 119.97 1krv n ASP 154 Ca 0.11 0.99 0.00 0.00 0.71 0.00 0.00 54.79 56.60 1krv n ASP 154 Cb 0.52 -1.29 0.00 0.00 -0.02 0.00 0.00 41.12 40.33 1krv n ASP 154 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1krv n ASN 155 N 0.66 -1.06 -4.87 -2.24 5.03 0.11 -1.55 115.26 111.34 1krv n ASN 155 Ca 0.10 0.00 -0.31 0.00 0.87 0.00 0.00 54.58 55.24 1krv n ASN 155 Cb 0.39 -1.39 -0.01 0.00 -1.02 0.00 0.00 39.78 37.75 1krv n ASN 155 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 1krv s SER 156 N -2.39 6.40 -0.12 6.41 0.01 -1.15 -4.48 113.70 118.38 1krv s SER 156 Ca 0.00 1.37 0.03 0.00 1.31 0.00 0.00 55.95 58.67 1krv s SER 156 Cb 0.00 -2.44 0.00 0.00 0.21 0.00 0.00 66.02 63.80 1krv s SER 156 CO 0.00 -0.69 -0.23 -0.69 0.41 0.00 0.00 173.24 172.04 1krv s VAL 157 N -2.85 2.07 -0.38 3.43 1.01 -0.83 -1.65 120.40 121.20 1krv s VAL 157 Ca 0.55 -1.00 -0.08 0.00 0.00 0.00 0.00 61.98 61.44 1krv s VAL 157 Cb -0.10 -1.80 0.05 0.00 0.00 0.00 0.00 36.38 34.53 1krv s VAL 157 CO 0.43 0.56 0.19 -0.63 0.00 0.00 0.00 175.10 175.64 1krv s ILE 158 N 0.52 4.11 0.95 2.22 -1.09 -0.25 -0.97 121.20 126.68 1krv s ILE 158 Ca -0.14 -1.21 -0.12 0.00 -2.23 0.00 0.00 60.65 56.94 1krv s ILE 158 Cb -0.17 -3.41 0.07 0.00 -1.58 0.00 0.00 42.46 37.36 1krv s ILE 158 CO 0.05 -0.34 0.57 0.61 -1.23 0.00 0.00 174.94 174.60 1krv n GLY 159 N 4.89 -1.65 3.78 6.18 0.00 -0.11 0.10 105.19 118.37 1krv n GLY 159 Ca -0.11 -0.75 -0.41 0.00 0.00 0.00 0.00 46.02 44.75 1krv n GLY 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1krv s ALA 160 N -2.45 3.59 -0.24 4.61 0.00 -1.26 -3.12 121.76 122.89 1krv s ALA 160 Ca 0.59 1.59 0.00 0.00 0.00 0.00 0.00 51.96 54.15 1krv s ALA 160 Cb -0.21 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.29 1krv s ALA 160 CO 0.65 -1.08 0.00 0.41 0.00 0.00 0.00 175.76 175.75 1krv n GLY 161 N 0.55 0.50 3.83 0.00 0.00 0.95 -4.82 105.19 106.21 1krv n GLY 161 Ca 0.01 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 1krv n GLY 161 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1krv s SER 162 N -2.25 6.90 -0.34 1.61 1.04 -1.18 -4.74 113.70 114.74 1krv s SER 162 Ca 0.00 1.21 -0.12 0.00 0.48 0.00 0.00 55.95 57.52 1krv s SER 162 Cb 0.00 -2.34 -0.00 0.00 0.10 0.00 0.00 66.02 63.78 1krv s SER 162 CO 0.00 0.06 0.21 -0.63 0.98 0.00 0.00 173.24 173.86 1krv s ILE 163 N -1.52 4.95 -0.43 -1.02 -1.09 -1.04 -1.85 121.20 119.20 1krv s ILE 163 Ca 0.41 -0.41 -0.20 0.00 -2.23 0.00 0.00 60.65 58.22 1krv s ILE 163 Cb -0.15 -3.58 0.02 0.00 -1.58 0.00 0.00 42.46 37.17 1krv s ILE 163 CO 0.20 -0.04 0.58 -0.69 -1.23 0.00 0.00 174.94 173.77 1krv s VAL 164 N 1.66 4.90 -0.39 2.92 1.01 0.86 0.35 120.40 131.72 1krv s VAL 164 Ca 0.05 0.02 0.09 0.00 0.00 0.00 0.00 61.98 62.14 1krv s VAL 164 Cb -0.18 -4.15 -0.10 0.00 0.00 0.00 0.00 36.38 31.96 1krv s VAL 164 CO 0.08 -0.53 0.36 0.35 0.00 0.00 0.00 175.10 175.37 1krv n THR 165 N 5.72 0.00 -4.09 3.92 -2.24 -1.26 -1.06 114.28 115.27 1krv n THR 165 Ca -0.03 -0.29 -0.14 0.00 -2.27 0.00 0.00 64.05 61.32 1krv n THR 165 Cb 0.48 0.95 -0.12 0.00 -2.10 0.00 0.00 70.33 69.54 1krv n THR 165 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1krv s LYS 166 N -1.89 0.56 0.31 -0.78 1.02 -1.26 -4.90 119.74 112.80 1krv s LYS 166 Ca 0.03 -0.74 -0.27 0.00 0.02 0.00 0.00 55.97 55.02 1krv s LYS 166 Cb 0.07 -0.38 -0.14 0.00 -0.52 0.00 0.00 37.83 36.86 1krv s LYS 166 CO 0.36 0.07 0.86 -0.25 -0.92 0.00 0.00 175.35 175.48 1krv n ASP 167 N 1.57 0.55 -4.40 2.83 9.92 -1.26 -4.77 116.55 120.99 1krv n ASP 167 Ca -0.22 1.11 -0.34 0.00 -0.53 0.00 0.00 54.79 54.82 1krv n ASP 167 Cb 0.55 -1.22 -0.13 0.00 -0.64 0.00 0.00 41.12 39.68 1krv n ASP 167 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1krv s ILE 168 N -1.14 3.49 0.78 0.53 -1.09 0.77 -4.94 121.20 119.60 1krv s ILE 168 Ca 0.61 -0.49 -0.11 0.00 -2.23 0.00 0.00 60.65 58.43 1krv s ILE 168 Cb -0.70 -2.53 0.06 0.00 -1.58 0.00 0.00 42.46 37.71 1krv s ILE 168 CO 0.59 0.48 1.11 -2.16 -1.23 0.00 0.00 174.94 173.72 1krv s PRO 169 N 0.71 2.13 0.74 2.79 0.04 -1.26 0.16 135.00 140.31 1krv s PRO 169 Ca -0.03 1.27 -0.11 0.00 0.04 0.00 0.00 61.00 62.17 1krv s PRO 169 Cb -0.15 -1.88 0.03 0.00 0.04 0.00 0.00 34.50 32.55 1krv s PRO 169 CO 0.02 -1.75 1.08 -1.25 0.04 0.00 0.00 177.00 175.14 1krv s PRO 170 N -4.73 2.58 -1.27 0.56 0.04 -1.26 -4.03 135.00 126.88 1krv s PRO 170 Ca 0.63 1.03 -0.03 0.00 0.04 0.00 0.00 61.00 62.67 1krv s PRO 170 Cb -0.19 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1krv s PRO 170 CO 0.54 -1.37 0.39 0.09 0.04 0.00 0.00 177.00 176.69 1krv n ASN 171 N -3.32 -5.15 -4.10 6.66 5.03 -0.59 -4.93 115.26 108.86 1krv n ASN 171 Ca 0.08 -0.19 -0.13 0.00 0.87 0.00 0.00 54.58 55.21 1krv n ASN 171 Cb 0.53 -4.04 -0.11 0.00 -1.02 0.00 0.00 39.78 35.14 1krv n ASN 171 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 1krv s VAL 172 N -3.01 0.67 -0.38 2.41 -7.23 -1.26 -0.91 120.40 110.70 1krv s VAL 172 Ca 0.19 -1.30 -0.16 0.00 -1.81 0.00 0.00 61.98 58.91 1krv s VAL 172 Cb -0.09 -0.90 0.00 0.00 0.56 0.00 0.00 36.38 35.95 1krv s VAL 172 CO 0.24 -0.46 0.37 -0.69 -0.31 0.00 0.00 175.10 174.25 1krv s VAL 173 N -1.82 5.16 0.07 1.32 1.01 -0.39 -1.96 120.40 123.78 1krv s VAL 173 Ca -0.04 -0.22 0.06 0.00 0.00 0.00 0.00 61.98 61.77 1krv s VAL 173 Cb -0.07 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 1krv s VAL 173 CO -0.00 -0.24 -0.09 0.00 0.00 0.00 0.00 175.10 174.77 1krv s ALA 174 N 1.99 2.96 0.24 5.51 0.00 -0.14 -1.25 121.76 131.06 1krv s ALA 174 Ca 0.10 -1.17 -0.22 0.00 0.00 0.00 0.00 51.96 50.68 1krv s ALA 174 Cb -0.17 -0.96 0.05 0.00 0.00 0.00 0.00 23.12 22.04 1krv s ALA 174 CO 0.12 0.63 0.88 0.00 0.00 0.00 0.00 175.76 177.39 1krv s ALA 175 N -1.13 -1.36 0.00 0.00 0.00 -0.61 -0.93 121.76 117.73 1krv s ALA 175 Ca 0.20 -0.24 0.00 0.00 0.00 0.00 0.00 51.96 51.92 1krv s ALA 175 Cb -0.11 0.72 0.00 0.00 0.00 0.00 0.00 23.12 23.73 1krv s ALA 175 CO 0.12 -1.04 0.00 0.41 0.00 0.00 0.00 175.76 175.25 1krv n GLY 176 N -0.52 2.00 2.85 0.00 0.00 -1.26 0.25 105.19 108.50 1krv n GLY 176 Ca -0.05 -2.00 -0.30 0.00 0.00 0.00 0.00 46.02 43.67 1krv n GLY 176 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1krv s VAL 177 N -2.38 1.59 0.50 1.61 1.01 -1.26 -0.22 120.40 121.25 1krv s VAL 177 Ca 0.00 -2.05 -0.19 0.00 0.00 0.00 0.00 61.98 59.74 1krv s VAL 177 Cb 0.00 -2.17 -0.08 0.00 0.00 0.00 0.00 36.38 34.13 1krv s VAL 177 CO 0.00 -0.69 1.02 -2.16 0.00 0.00 0.00 175.10 173.27 1krv s PRO 178 N 1.03 3.81 0.21 2.72 0.04 -1.26 -5.02 135.00 136.53 1krv s PRO 178 Ca 0.12 1.22 -0.31 0.00 0.04 0.00 0.00 61.00 62.07 1krv s PRO 178 Cb -0.20 -2.10 -0.15 0.00 0.04 0.00 0.00 34.50 32.09 1krv s PRO 178 CO -0.13 -0.40 1.07 0.00 0.04 0.00 0.00 177.00 177.57 1krv s ARG 180 N -0.81 0.34 0.12 0.00 0.52 0.14 -4.83 118.95 114.43 1krv s ARG 180 Ca 0.68 -0.52 -0.31 0.00 -0.52 0.00 0.00 55.73 55.06 1krv s ARG 180 Cb -0.81 0.13 -0.08 0.00 0.52 0.00 0.00 34.95 34.71 1krv s ARG 180 CO 0.55 -0.06 1.40 0.08 0.02 0.00 0.00 175.30 177.28 1krv s VAL 181 N -1.36 3.27 -0.04 3.52 1.01 -1.26 -1.57 120.40 123.97 1krv s VAL 181 Ca -0.15 0.91 0.15 0.00 0.00 0.00 0.00 61.98 62.90 1krv s VAL 181 Cb -0.09 -3.59 -0.23 0.00 0.00 0.00 0.00 36.38 32.47 1krv s VAL 181 CO -0.00 0.07 0.30 2.30 0.00 0.00 0.00 175.10 177.77 1krv n ILE 182 N 3.95 0.14 0.00 2.22 -5.35 -0.38 -4.93 119.36 115.01 1krv n ILE 182 Ca 0.12 -0.39 0.00 0.00 -0.27 0.00 0.00 62.75 62.20 1krv n ILE 182 Cb 0.42 0.04 0.00 0.00 -1.74 0.00 0.00 39.64 38.36 1krv n ILE 182 CO 0.00 0.00 0.00 -2.11 -1.76 0.00 0.00 176.55 172.68 1krv n ARG 183 N -2.11 0.00 -3.64 6.28 1.85 -1.20 -5.03 116.66 112.80 1krv n ARG 183 Ca -0.06 0.00 -0.34 0.00 -1.00 0.00 0.00 57.85 56.46 1krv n ARG 183 Cb 0.49 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.84 1krv n ARG 183 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 1krv s GLU 184 N -2.00 3.68 -0.28 2.89 2.12 -1.26 -1.26 118.70 122.59 1krv s GLU 184 Ca 0.00 0.04 -0.29 0.00 0.36 0.00 0.00 54.97 55.08 1krv s GLU 184 Cb 0.00 -2.97 0.00 0.00 0.26 0.00 0.00 34.13 31.42 1krv s GLU 184 CO 0.00 0.55 1.24 0.42 -0.54 0.00 0.00 175.26 176.93 1krv s ILE 185 N -1.46 4.26 0.00 -3.70 1.01 -0.08 -4.86 121.20 116.37 1krv s ILE 185 Ca 0.34 1.45 0.00 0.00 0.00 0.00 0.00 60.65 62.45 1krv s ILE 185 Cb -0.13 -4.19 0.00 0.00 0.01 0.00 0.00 42.46 38.14 1krv s ILE 185 CO 0.20 -0.41 0.00 -0.46 0.00 0.00 0.00 174.94 174.26 1krv n ASN 186 N 7.25 0.00 0.00 3.58 2.04 -1.26 -4.95 115.26 121.91 1krv n ASN 186 Ca 0.14 0.00 0.11 0.00 -0.44 0.00 0.00 54.58 54.39 1krv n ASN 186 Cb 0.46 0.00 -0.14 0.00 -2.53 0.00 0.00 39.78 37.57 1krv n ASN 186 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 1krv n ASP 187 N 0.00 0.23 0.22 0.53 8.00 -1.26 -3.95 116.55 120.33 1krv n ASP 187 Ca 0.00 -0.13 0.07 0.00 0.71 0.00 0.00 54.79 55.44 1krv n ASP 187 Cb 0.00 1.68 0.53 0.00 -0.02 0.00 0.00 41.12 43.31 1krv n ASP 187 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1krv h ARG 188 N 0.00 0.00 0.00 -1.24 2.43 -1.96 0.34 114.38 113.95 1krv h ARG 188 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1krv h ARG 188 Cb 0.91 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.46 1krv h ARG 188 CO 0.00 0.23 0.00 -0.25 -1.51 0.00 0.00 179.97 178.44 1krv n ASP 189 N -3.97 0.00 -0.09 -3.80 8.00 -1.25 -0.95 116.55 114.49 1krv n ASP 189 Ca -0.02 -0.43 0.11 0.00 0.71 0.00 0.00 54.79 55.17 1krv n ASP 189 Cb 0.31 -0.09 0.03 0.00 -0.02 0.00 0.00 41.12 41.35 1krv n ASP 189 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1krv n LYS 190 N -1.09 0.23 -0.02 -1.24 4.76 0.11 -4.50 118.16 116.41 1krv n LYS 190 Ca 0.13 -0.18 -0.03 0.00 -2.87 0.00 0.00 58.31 55.37 1krv n LYS 190 Cb 0.10 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 31.78 1krv n LYS 190 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1krv n HIS 191 N -1.23 0.00 -3.35 2.13 8.25 -0.67 -4.89 115.22 115.47 1krv n HIS 191 Ca 0.06 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.13 1krv n HIS 191 Cb 0.35 -0.12 -0.08 0.00 1.12 0.00 0.00 29.99 31.26 1krv n HIS 191 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1krv s TYR 192 N -2.06 3.31 -0.26 4.41 1.51 -0.12 -0.03 117.35 124.10 1krv s TYR 192 Ca -0.05 0.56 -0.00 0.00 -1.01 0.00 0.00 57.07 56.57 1krv s TYR 192 Cb 0.02 -2.59 -0.16 0.00 -0.11 0.00 0.00 41.96 39.11 1krv s TYR 192 CO 0.06 -0.15 -0.24 2.48 -1.11 0.00 0.00 175.55 176.60 1krv n TYR 193 N 5.03 0.03 -3.81 2.71 0.18 0.25 -4.48 117.16 117.06 1krv n TYR 193 Ca -0.07 0.01 -0.18 0.00 1.88 0.00 0.00 57.90 59.54 1krv n TYR 193 Cb 0.51 -1.00 -0.17 0.00 -0.38 0.00 0.00 39.34 38.30 1krv n TYR 193 CO 0.00 0.00 0.00 0.12 -2.08 0.00 0.00 176.86 174.90 1krv s PHE 194 N -2.52 0.21 0.00 -3.48 5.36 -1.24 -5.02 117.98 111.29 1krv s PHE 194 Ca -0.35 0.08 0.00 0.00 -0.96 0.00 0.00 56.93 55.70 1krv s PHE 194 Cb 0.10 -0.41 0.00 0.00 -0.34 0.00 0.00 43.02 42.36 1krv s PHE 194 CO 0.59 -0.15 0.00 1.63 -1.46 0.00 0.00 175.22 175.83 1krv n LYS 195 N 4.51 0.00 -0.76 10.12 4.01 -1.26 0.24 118.16 135.01 1krv n LYS 195 Ca -0.20 0.00 0.07 0.00 -0.51 0.00 0.00 58.31 57.67 1krv n LYS 195 Cb 0.50 0.00 0.36 0.00 -0.51 0.00 0.00 35.03 35.38 1krv n LYS 195 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1krv n ASP 196 N 4.53 5.12 -4.54 4.39 5.75 -1.26 -4.93 116.55 125.61 1krv n ASP 196 Ca 0.00 -2.73 -0.41 0.00 -0.01 0.00 0.00 54.79 51.64 1krv n ASP 196 Cb 0.00 -0.64 -0.09 0.00 -1.03 0.00 0.00 41.12 39.36 1krv n ASP 196 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1krv s TYR 197 N -2.40 3.21 0.55 2.11 1.51 0.14 -5.04 117.35 117.42 1krv s TYR 197 Ca 0.49 -0.03 0.01 0.00 -1.01 0.00 0.00 57.07 56.54 1krv s TYR 197 Cb 0.36 -2.68 0.03 0.00 -0.11 0.00 0.00 41.96 39.56 1krv s TYR 197 CO 0.17 -0.44 0.78 -1.59 -1.11 0.00 0.00 175.55 173.36 1krv s LYS 198 N 2.03 2.56 -0.24 -0.62 0.00 -1.26 -0.59 119.74 121.63 1krv s LYS 198 Ca 0.12 -0.73 -0.02 0.00 0.00 0.00 0.00 55.97 55.34 1krv s LYS 198 Cb -0.17 -2.47 0.08 0.00 0.00 0.00 0.00 37.83 35.27 1krv s LYS 198 CO 0.12 -0.71 0.07 0.54 0.00 0.00 0.00 175.35 175.36 1krv s VAL 199 N -2.78 0.53 -0.73 1.79 0.11 0.96 -4.83 120.40 115.45 1krv s VAL 199 Ca 0.57 -0.80 -0.26 0.00 -2.93 0.00 0.00 61.98 58.56 1krv s VAL 199 Cb -0.10 -1.18 -0.15 0.00 -1.53 0.00 0.00 36.38 33.42 1krv s VAL 199 CO 0.39 -0.40 2.47 1.21 -3.33 0.00 0.00 175.10 175.43 1krv n GLU 200 N 5.03 0.58 -0.20 1.54 0.00 -1.26 -4.83 120.64 121.51 1krv n GLU 200 Ca -0.07 -0.15 0.03 0.00 0.00 0.00 0.00 57.16 56.97 1krv n GLU 200 Cb 0.45 -2.75 0.07 0.00 0.00 0.00 0.00 31.44 29.22 1krv n GLU 200 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1krv n SER 201 N 14.01 -0.20 0.00 4.31 3.41 -1.26 -5.24 113.62 128.65 1krv n SER 201 Ca 0.49 0.94 0.00 0.00 -0.26 0.00 0.00 58.87 60.04 1krv n SER 201 Cb 0.35 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 1krv n SER 201 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34