#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 0.27 0.80 -3.83 -1.94 -1.26 -5.15 119.30 108.19 1krv s MET 3 Ca 0.00 -0.22 -0.15 0.00 -1.71 0.00 0.00 55.69 53.61 1krv s MET 3 Cb 0.00 -0.88 -0.03 0.00 2.01 0.00 0.00 34.83 35.93 1krv s MET 3 CO 0.00 -0.98 0.36 -0.35 -0.01 0.00 0.00 175.02 174.04 1krv n PRO 4 N 5.29 0.09 -0.08 2.03 -0.04 -1.26 -4.79 135.00 136.24 1krv n PRO 4 Ca -0.04 0.07 0.02 0.00 -0.04 0.00 0.00 63.50 63.51 1krv n PRO 4 Cb 0.45 -1.74 0.34 0.00 -0.04 0.00 0.00 33.50 32.51 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 -0.75 0.71 0.00 0.54 2.86 -1.97 -2.38 114.93 113.93 1krv h MET 5 Ca -0.45 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.14 1krv h MET 5 Cb 1.33 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.84 1krv h MET 5 CO 0.38 0.50 0.00 0.25 1.06 0.00 0.00 176.91 179.11 1krv n THR 6 N -4.42 0.70 0.02 2.22 -2.24 -1.26 -2.74 114.28 106.56 1krv n THR 6 Ca 0.05 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.73 1krv n THR 6 Cb 0.08 -0.88 -0.13 0.00 -2.10 0.00 0.00 70.33 67.30 1krv n THR 6 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1krv h GLU 7 N 0.00 0.06 0.00 -0.78 5.08 -1.77 -3.24 114.58 113.93 1krv h GLU 7 Ca 0.00 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.19 1krv h GLU 7 Cb 0.52 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1krv h GLU 7 CO 0.00 0.80 -0.33 0.00 -1.00 0.00 0.00 179.01 178.48 1krv h ARG 8 N 0.02 0.00 0.19 2.33 3.08 -1.41 -2.55 114.38 116.04 1krv h ARG 8 Ca -0.19 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.85 1krv h ARG 8 Cb 1.94 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.99 1krv h ARG 8 CO 0.11 0.33 -0.09 0.82 -1.07 0.00 0.00 179.97 180.07 1krv h ILE 9 N 0.00 0.89 0.00 2.04 2.04 -1.57 -0.16 117.51 120.75 1krv h ILE 9 Ca -0.00 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.41 1krv h ILE 9 Cb 0.69 1.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.92 1krv h ILE 9 CO 0.04 0.10 0.00 0.54 0.00 0.00 0.00 178.15 178.83 1krv n ARG 10 N -5.11 0.11 0.00 2.37 1.74 -1.14 -1.84 116.66 112.80 1krv n ARG 10 Ca -0.09 0.38 0.12 0.00 -0.77 0.00 0.00 57.85 57.49 1krv n ARG 10 Cb 0.20 -1.73 0.14 0.00 -1.02 0.00 0.00 32.46 30.05 1krv n ARG 10 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1krv n ALA 11 N -1.67 3.17 -1.58 7.54 0.00 -0.97 -4.96 120.51 122.04 1krv n ALA 11 Ca 0.02 -0.59 -0.07 0.00 0.00 0.00 0.00 53.44 52.81 1krv n ALA 11 Cb 0.19 -0.90 -0.02 0.00 0.00 0.00 0.00 19.45 18.72 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 1.37 0.56 3.99 0.00 0.00 -0.77 -5.04 105.19 105.30 1krv n GLY 12 Ca 0.12 -0.70 -0.19 0.00 0.00 0.00 0.00 46.02 45.25 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 -3.29 2.98 0.45 1.61 1.02 -0.13 -4.83 119.74 117.55 1krv s LYS 13 Ca 0.00 -0.98 -0.23 0.00 0.02 0.00 0.00 55.97 54.78 1krv s LYS 13 Cb 0.00 -2.74 -0.08 0.00 -0.52 0.00 0.00 37.83 34.50 1krv s LYS 13 CO 0.00 -0.14 1.16 -0.51 -0.92 0.00 0.00 175.35 174.93 1krv s LEU 14 N -4.33 4.03 0.37 3.17 1.43 -1.26 -4.53 118.68 117.56 1krv s LEU 14 Ca 0.49 2.29 -0.15 0.00 -1.03 0.00 0.00 54.13 55.73 1krv s LEU 14 Cb -0.10 -4.23 0.05 0.00 0.03 0.00 0.00 46.19 41.94 1krv s LEU 14 CO 0.33 -0.87 0.75 0.72 0.23 0.00 0.00 176.35 177.51 1krv s PHE 15 N -1.55 0.16 0.19 0.29 -0.71 -0.16 -4.92 117.98 111.28 1krv s PHE 15 Ca 0.63 -0.77 0.03 0.00 -1.04 0.00 0.00 56.93 55.78 1krv s PHE 15 Cb -0.28 0.74 -0.05 0.00 -1.21 0.00 0.00 43.02 42.22 1krv s PHE 15 CO 0.34 -1.49 -0.03 0.95 -1.34 0.00 0.00 175.22 173.65 1krv s THR 16 N -2.59 0.98 -0.40 -4.49 -4.23 -1.26 -1.04 115.64 102.61 1krv s THR 16 Ca 0.16 -2.03 0.11 0.00 -1.18 0.00 0.00 61.69 58.76 1krv s THR 16 Cb -0.05 -2.14 0.42 0.00 1.34 0.00 0.00 72.50 72.07 1krv s THR 16 CO 0.12 -0.48 0.98 -0.90 -0.54 0.00 0.00 174.62 173.79 1krv n ASP 17 N -0.31 2.89 -1.07 3.99 5.68 -1.26 -4.80 116.55 121.67 1krv n ASP 17 Ca -0.07 -3.22 -0.01 0.00 -0.50 0.00 0.00 54.79 50.98 1krv n ASP 17 Cb 0.63 -0.52 0.21 0.00 -1.14 0.00 0.00 41.12 40.30 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 -0.19 2.00 -3.62 0.11 2.81 -1.26 -4.21 117.12 112.76 1krv n MET 18 Ca 0.24 -3.11 -0.11 0.00 -1.81 0.00 0.00 57.70 52.92 1krv n MET 18 Cb 0.69 -1.81 -0.00 0.00 -0.71 0.00 0.00 33.22 31.39 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 -0.50 -3.15 -0.96 0.00 1.02 -1.26 -1.15 120.64 114.65 1krv n GLU 20 Ca -0.04 0.75 0.00 0.00 -0.02 0.00 0.00 57.16 57.85 1krv n GLU 20 Cb 0.53 -5.46 0.00 0.00 -0.02 0.00 0.00 31.44 26.49 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 -1.14 0.52 0.25 0.62 0.00 -1.26 -4.90 105.19 99.28 1krv n GLY 21 Ca -0.13 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.53 -0.98 0.99 3.38 -1.44 -1.08 115.31 115.65 1krv h LEU 22 Ca 0.00 0.03 0.15 0.00 0.09 0.00 0.00 57.88 58.15 1krv h LEU 22 Cb 0.15 0.16 -0.09 0.00 0.09 0.00 0.00 40.66 40.97 1krv h LEU 22 CO 0.00 -0.33 0.60 -0.65 0.09 0.00 0.00 178.44 178.14 1krv h PRO 23 N -0.52 0.83 -0.38 1.13 0.11 -1.78 -0.43 132.00 130.96 1krv h PRO 23 Ca -0.03 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.96 1krv h PRO 23 Cb 0.44 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.34 1krv h PRO 23 CO 0.03 0.55 -0.03 0.93 -0.21 0.00 0.00 178.00 179.27 1krv h GLU 24 N 0.85 0.61 -0.12 1.05 3.07 -1.82 -2.49 114.58 115.74 1krv h GLU 24 Ca 0.52 -0.15 -0.01 0.00 -0.50 0.00 0.00 59.36 59.22 1krv h GLU 24 Cb 0.67 -0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 28.50 1krv h GLU 24 CO -0.32 0.66 0.02 0.87 -1.40 0.00 0.00 179.01 178.84 1krv h LYS 25 N 0.58 0.19 -0.90 2.33 1.79 0.20 -2.61 116.57 118.15 1krv h LYS 25 Ca 0.12 -0.05 0.08 0.00 -2.18 0.00 0.00 60.65 58.62 1krv h LYS 25 Cb 0.41 -0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 30.97 1krv h LYS 25 CO 0.02 0.37 0.58 0.00 -1.08 0.00 0.00 179.45 179.34 1krv h ARG 26 N -0.03 0.91 -0.00 3.15 3.08 -1.25 -1.62 114.38 118.62 1krv h ARG 26 Ca 0.04 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 1krv h ARG 26 Cb 0.27 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 1krv h ARG 26 CO 0.00 0.60 0.00 1.25 -1.07 0.00 0.00 179.97 180.76 1krv h LEU 27 N 0.94 0.00 -0.79 3.04 5.85 -1.23 0.67 115.31 123.80 1krv h LEU 27 Ca 0.40 -0.12 0.06 0.00 0.84 0.00 0.00 57.88 59.06 1krv h LEU 27 Cb 0.32 -0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.30 1krv h LEU 27 CO -0.17 0.12 0.48 0.03 -0.34 0.00 0.00 178.44 178.56 1krv h ARG 28 N -0.12 0.85 0.62 1.25 2.47 -1.08 -0.26 114.38 118.12 1krv h ARG 28 Ca 0.00 -0.05 -0.03 0.00 -1.26 0.00 0.00 59.98 58.64 1krv h ARG 28 Cb 0.12 -0.19 0.01 0.00 -1.65 0.00 0.00 29.97 28.25 1krv h ARG 28 CO -0.00 0.57 -0.30 0.78 0.56 0.00 0.00 179.97 181.58 1krv h GLY 29 N 0.88 -0.87 0.69 0.04 0.00 -1.01 -1.98 103.07 100.83 1krv h GLY 29 Ca 0.34 0.32 0.12 0.00 0.00 0.00 0.00 47.33 48.11 1krv h GLY 29 CO -0.17 -0.32 0.54 0.50 0.00 0.00 0.00 176.54 177.10 1krv h LYS 30 N -1.09 0.00 -0.01 4.80 6.56 0.48 0.15 116.57 127.46 1krv h LYS 30 Ca -0.08 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.49 1krv h LYS 30 Cb 0.64 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.30 1krv h LYS 30 CO 0.14 0.00 -0.05 1.15 -2.06 0.00 0.00 179.45 178.63 1krv h THR 31 N 0.00 1.52 -0.73 -0.16 2.02 -0.82 -1.72 112.91 113.02 1krv h THR 31 Ca 0.19 -1.61 -0.04 0.00 0.77 0.00 0.00 66.41 65.72 1krv h THR 31 Cb 1.27 2.57 -0.03 0.00 -1.74 0.00 0.00 68.15 70.23 1krv h THR 31 CO -0.00 0.42 0.29 -0.07 0.37 0.00 0.00 175.52 176.53 1krv h LEU 32 N -0.60 1.02 -0.83 2.58 3.38 -0.03 -2.41 115.31 118.43 1krv h LEU 32 Ca -0.00 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 57.82 1krv h LEU 32 Cb 0.72 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 1krv h LEU 32 CO 0.01 0.92 0.53 -0.03 0.09 0.00 0.00 178.44 179.96 1krv h MET 33 N 1.06 1.01 -0.71 1.13 4.05 -0.99 -1.72 114.93 118.75 1krv h MET 33 Ca 0.24 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.60 1krv h MET 33 Cb 0.22 -0.23 -0.03 0.00 -0.80 0.00 0.00 31.60 30.76 1krv h MET 33 CO -0.02 0.67 0.42 -0.92 0.23 0.00 0.00 176.91 177.29 1krv h TYR 34 N 1.04 0.95 -0.82 1.39 5.03 -0.91 0.20 116.97 123.86 1krv h TYR 34 Ca 0.33 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.62 1krv h TYR 34 Cb -0.00 -0.31 -0.04 0.00 1.55 0.00 0.00 36.73 37.93 1krv h TYR 34 CO -0.02 0.65 0.46 1.49 -1.32 0.00 0.00 178.16 179.41 1krv h GLU 35 N 0.98 1.14 -0.21 1.82 4.57 -0.92 -1.27 114.58 120.69 1krv h GLU 35 Ca 0.26 -0.13 -0.06 0.00 -1.18 0.00 0.00 59.36 58.25 1krv h GLU 35 Cb -0.02 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 28.34 1krv h GLU 35 CO -0.05 0.83 -0.10 0.35 -1.18 0.00 0.00 179.01 178.87 1krv h PHE 36 N 1.14 0.50 0.00 0.92 3.57 -0.70 -1.68 116.94 120.68 1krv h PHE 36 Ca 0.29 -0.12 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 1krv h PHE 36 Cb 0.02 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 38.64 1krv h PHE 36 CO 0.00 0.72 -0.06 -0.91 -2.23 0.00 0.00 178.31 175.83 1krv h ASN 37 N 0.13 0.00 -0.03 0.41 -0.26 -0.42 -2.84 115.58 112.57 1krv h ASN 37 Ca 0.05 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.79 1krv h ASN 37 Cb 0.59 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.85 1krv h ASN 37 CO 0.03 0.06 -0.11 1.41 -1.06 0.00 0.00 177.43 177.76 1krv n HIS 38 N -3.20 0.00 -2.24 1.19 8.25 -0.50 -4.86 115.22 113.86 1krv n HIS 38 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.10 1krv n HIS 38 Cb 0.31 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.42 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 -2.01 6.01 0.39 0.41 1.04 -0.65 -5.00 113.70 113.90 1krv s SER 39 Ca 0.24 2.28 -0.24 0.00 0.48 0.00 0.00 55.95 58.71 1krv s SER 39 Cb 0.18 -2.60 -0.09 0.00 0.10 0.00 0.00 66.02 63.61 1krv s SER 39 CO 0.35 -1.03 1.03 -2.28 0.98 0.00 0.00 173.24 172.29 1krv s HIS 40 N -1.60 3.34 0.66 5.02 2.46 -1.26 -4.92 115.29 119.00 1krv s HIS 40 Ca 0.66 1.66 0.26 0.00 0.47 0.00 0.00 55.06 58.12 1krv s HIS 40 Cb -0.28 -3.08 1.39 0.00 -0.13 0.00 0.00 32.58 30.48 1krv s HIS 40 CO 0.33 -0.47 1.78 -1.35 -2.47 0.00 0.00 174.74 172.57 1krv h PRO 41 N 2.60 0.00 0.00 2.88 0.11 -1.99 0.11 132.00 135.71 1krv h PRO 41 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1krv h PRO 41 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1krv h PRO 41 CO 0.63 0.00 -0.88 -1.13 -0.21 0.00 0.00 178.00 176.41 1krv n SER 42 N -2.86 0.69 -3.06 -2.05 3.41 -1.26 -4.39 113.62 104.09 1krv n SER 42 Ca -0.01 0.07 -0.26 0.00 -0.26 0.00 0.00 58.87 58.40 1krv n SER 42 Cb 0.49 0.47 -0.04 0.00 -0.26 0.00 0.00 64.21 64.87 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 -2.20 2.61 -0.27 4.33 1.02 0.37 -4.60 120.64 121.89 1krv n GLU 43 Ca 0.02 -1.63 -0.06 0.00 -0.02 0.00 0.00 57.16 55.47 1krv n GLU 43 Cb 0.47 -2.49 0.07 0.00 -0.02 0.00 0.00 31.44 29.47 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 3.08 1.26 0.03 2.62 2.07 -1.81 -1.41 116.25 122.10 1krv h VAL 44 Ca 0.58 -0.87 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 1krv h VAL 44 Cb 0.36 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1krv h VAL 44 CO 1.39 0.35 -0.01 -0.33 0.02 0.00 0.00 177.57 178.99 1krv h GLU 45 N 1.11 -0.04 -0.94 1.57 3.07 -1.98 -1.19 114.58 116.18 1krv h GLU 45 Ca 0.25 0.00 0.09 0.00 -0.50 0.00 0.00 59.36 59.20 1krv h GLU 45 Cb 0.27 0.01 -0.08 0.00 -0.84 0.00 0.00 28.75 28.11 1krv h GLU 45 CO -0.01 0.38 0.58 -0.22 -1.40 0.00 0.00 179.01 178.34 1krv h LYS 46 N -0.47 0.95 -0.54 2.33 3.64 -1.92 -0.07 116.57 120.49 1krv h LYS 46 Ca -0.00 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.25 1krv h LYS 46 Cb 0.44 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 1krv h LYS 46 CO 0.01 0.63 0.05 0.00 -2.27 0.00 0.00 179.45 177.87 1krv h ARG 47 N 0.98 0.91 -0.18 1.90 3.08 -1.20 -1.24 114.38 118.63 1krv h ARG 47 Ca 0.44 -0.27 -0.00 0.00 0.07 0.00 0.00 59.98 60.23 1krv h ARG 47 Cb 0.35 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 1krv h ARG 47 CO -0.23 0.91 0.11 0.93 -1.07 0.00 0.00 179.97 180.61 1krv h GLU 48 N 0.80 0.24 0.00 0.04 5.08 0.22 -2.27 114.58 118.69 1krv h GLU 48 Ca 0.16 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.40 1krv h GLU 48 Cb 0.46 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1krv h GLU 48 CO 0.02 0.20 -0.47 0.66 -1.00 0.00 0.00 179.01 178.42 1krv h SER 49 N 0.21 0.00 -0.01 1.42 4.64 -1.16 -2.94 113.55 115.71 1krv h SER 49 Ca 0.06 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1krv h SER 49 Cb 0.02 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1krv h SER 49 CO -0.01 0.47 0.01 -0.07 -0.87 0.00 0.00 176.83 176.35 1krv h LEU 50 N 0.00 0.01 -1.18 5.97 3.38 -0.85 -1.50 115.31 121.15 1krv h LEU 50 Ca -0.00 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1krv h LEU 50 Cb 0.91 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.62 1krv h LEU 50 CO 0.06 0.05 0.56 -0.29 0.09 0.00 0.00 178.44 178.91 1krv h ILE 51 N -0.03 1.21 0.00 1.22 2.10 -1.35 0.44 117.51 121.10 1krv h ILE 51 Ca 0.00 -0.39 -0.02 0.00 1.08 0.00 0.00 64.86 65.54 1krv h ILE 51 Cb 0.04 -0.02 -0.00 0.00 -1.09 0.00 0.00 36.82 35.75 1krv h ILE 51 CO -0.00 0.21 -0.10 0.11 -1.08 0.00 0.00 178.15 177.29 1krv h LYS 52 N 1.13 0.00 0.01 2.19 1.57 -1.26 -2.65 116.57 117.56 1krv h LYS 52 Ca 0.31 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.74 1krv h LYS 52 Cb -0.12 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.13 1krv h LYS 52 CO -0.07 0.10 -2.18 -1.91 -0.57 0.00 0.00 179.45 174.82 1krv n GLU 53 N -3.54 0.67 0.12 3.15 4.07 -0.14 -4.49 120.64 120.49 1krv n GLU 53 Ca -0.02 0.12 0.00 0.00 -0.06 0.00 0.00 57.16 57.21 1krv n GLU 53 Cb 0.23 -1.61 -0.00 0.00 -0.06 0.00 0.00 31.44 29.99 1krv n GLU 53 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1krv h MET 54 N 0.01 0.00 -6.07 5.31 -0.00 -0.06 -3.45 114.93 110.66 1krv h MET 54 Ca -0.47 0.00 -0.58 0.00 -0.00 0.00 0.00 59.70 58.65 1krv h MET 54 Cb 2.11 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 33.68 1krv h MET 54 CO 0.03 0.63 -0.40 -0.06 -0.00 0.00 0.00 176.91 177.11 1krv s PHE 55 N -2.91 3.49 0.21 -0.10 0.08 -1.01 -3.39 117.98 114.34 1krv s PHE 55 Ca 0.03 0.35 -0.09 0.00 0.12 0.00 0.00 56.93 57.34 1krv s PHE 55 Cb 0.08 -1.84 0.15 0.00 -0.57 0.00 0.00 43.02 40.84 1krv s PHE 55 CO 0.76 0.49 1.80 0.00 -0.10 0.00 0.00 175.22 178.18 1krv h ALA 56 N 2.65 1.00 -2.71 5.36 0.00 -1.09 -3.44 119.26 121.03 1krv h ALA 56 Ca -0.46 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.17 1krv h ALA 56 Cb 1.17 -0.31 -0.27 0.00 0.00 0.00 0.00 17.79 18.38 1krv h ALA 56 CO 0.72 0.55 -0.33 0.99 0.00 0.00 0.00 179.25 181.18 1krv s THR 57 N -5.73 -0.05 -0.03 0.00 2.01 -1.18 -5.00 115.64 105.65 1krv s THR 57 Ca -0.13 0.11 0.02 0.00 0.31 0.00 0.00 61.69 62.00 1krv s THR 57 Cb 0.15 -0.57 0.01 0.00 0.01 0.00 0.00 72.50 72.11 1krv s THR 57 CO 0.82 0.04 -0.06 -0.69 -0.69 0.00 0.00 174.62 174.04 1krv s VAL 58 N 1.42 0.59 0.28 3.82 1.01 -1.25 0.12 120.40 126.40 1krv s VAL 58 Ca -0.09 -0.20 -0.04 0.00 0.00 0.00 0.00 61.98 61.64 1krv s VAL 58 Cb -0.09 -0.58 0.06 0.00 0.00 0.00 0.00 36.38 35.78 1krv s VAL 58 CO -0.12 0.22 0.39 0.61 0.00 0.00 0.00 175.10 176.19 1krv n GLY 59 N 3.71 -0.94 3.80 4.51 0.00 -0.14 -4.97 105.19 111.17 1krv n GLY 59 Ca -0.22 -1.73 -0.35 0.00 0.00 0.00 0.00 46.02 43.72 1krv n GLY 59 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1krv s GLU 60 N -3.77 4.26 -0.88 1.61 2.12 -1.26 -4.08 118.70 116.70 1krv s GLU 60 Ca 0.22 1.25 -0.04 0.00 0.36 0.00 0.00 54.97 56.76 1krv s GLU 60 Cb -0.01 -2.38 0.00 0.00 0.26 0.00 0.00 34.13 32.01 1krv s GLU 60 CO 0.16 -0.01 0.59 0.09 -0.54 0.00 0.00 175.26 175.54 1krv n ASN 61 N -0.30 -4.57 -4.84 -1.70 5.03 -1.26 -0.34 115.26 107.29 1krv n ASN 61 Ca 0.06 -0.27 -0.33 0.00 0.87 0.00 0.00 54.58 54.90 1krv n ASN 61 Cb 0.52 -3.26 -0.06 0.00 -1.02 0.00 0.00 39.78 35.96 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 -3.09 3.34 -0.20 5.41 0.00 -1.26 -3.40 121.76 122.55 1krv s ALA 62 Ca 0.29 0.08 -0.06 0.00 0.00 0.00 0.00 51.96 52.27 1krv s ALA 62 Cb -0.13 -2.79 0.10 0.00 0.00 0.00 0.00 23.12 20.30 1krv s ALA 62 CO 0.36 0.33 0.41 -0.46 0.00 0.00 0.00 175.76 176.40 1krv s TRP 63 N -1.88 -0.79 -0.11 0.00 -0.11 -0.60 -4.93 118.94 110.52 1krv s TRP 63 Ca 0.52 1.40 0.03 0.00 1.22 0.00 0.00 56.10 59.27 1krv s TRP 63 Cb -0.12 0.25 0.01 0.00 -1.50 0.00 0.00 33.47 32.11 1krv s TRP 63 CO 0.18 -0.51 -0.22 0.08 -4.62 0.00 0.00 176.95 171.86 1krv s VAL 64 N 2.60 1.95 -0.24 5.86 1.01 -1.26 -2.19 120.40 128.13 1krv s VAL 64 Ca 0.01 -0.94 -0.22 0.00 0.00 0.00 0.00 61.98 60.83 1krv s VAL 64 Cb -0.12 -1.71 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 1krv s VAL 64 CO -0.13 0.53 0.70 -0.70 0.00 0.00 0.00 175.10 175.50 1krv s GLU 65 N 0.59 4.16 0.62 2.72 2.56 -0.32 -4.99 118.70 124.04 1krv s GLU 65 Ca -0.13 0.70 -0.14 0.00 0.00 0.00 0.00 54.97 55.39 1krv s GLU 65 Cb -0.17 -3.63 -0.02 0.00 2.00 0.00 0.00 34.13 32.31 1krv s GLU 65 CO 0.04 -0.40 1.06 -1.25 -0.56 0.00 0.00 175.26 174.14 1krv s PRO 66 N 2.46 3.19 0.53 4.30 0.05 -1.26 -3.84 135.00 140.43 1krv s PRO 66 Ca 0.30 1.14 -0.18 0.00 0.05 0.00 0.00 61.00 62.31 1krv s PRO 66 Cb -0.16 -2.02 -0.07 0.00 0.05 0.00 0.00 34.50 32.31 1krv s PRO 66 CO 0.09 -0.91 1.03 -1.25 0.05 0.00 0.00 177.00 176.01 1krv s PRO 67 N -4.34 3.67 -0.03 0.56 0.04 -1.26 -4.70 135.00 128.95 1krv s PRO 67 Ca 0.62 1.21 0.04 0.00 0.04 0.00 0.00 61.00 62.91 1krv s PRO 67 Cb -0.16 -2.08 -0.00 0.00 0.04 0.00 0.00 34.50 32.30 1krv s PRO 67 CO 0.42 -0.52 -0.14 0.54 0.04 0.00 0.00 177.00 177.34 1krv s VAL 68 N -2.30 1.13 -0.04 -0.36 0.11 -1.26 -1.35 120.40 116.33 1krv s VAL 68 Ca 0.64 -0.57 0.04 0.00 -2.93 0.00 0.00 61.98 59.16 1krv s VAL 68 Cb -0.14 -0.97 -0.00 0.00 -1.53 0.00 0.00 36.38 33.74 1krv s VAL 68 CO 0.28 0.33 -0.16 -0.31 -3.33 0.00 0.00 175.10 171.91 1krv s TYR 69 N -0.04 1.55 0.27 1.54 2.02 -0.26 -4.91 117.35 117.52 1krv s TYR 69 Ca -0.00 -0.41 -0.19 0.00 -0.37 0.00 0.00 57.07 56.09 1krv s TYR 69 Cb -0.09 -1.04 0.01 0.00 -0.40 0.00 0.00 41.96 40.44 1krv s TYR 69 CO 0.01 -0.13 0.66 -0.59 -1.57 0.00 0.00 175.55 173.93 1krv s PHE 70 N -0.01 -0.05 -0.15 2.71 -0.12 -1.26 -0.34 117.98 118.77 1krv s PHE 70 Ca -0.02 -0.39 -0.21 0.00 -0.05 0.00 0.00 56.93 56.26 1krv s PHE 70 Cb -0.10 0.59 -0.24 0.00 -0.63 0.00 0.00 43.02 42.63 1krv s PHE 70 CO 0.01 -1.19 0.51 0.77 -0.05 0.00 0.00 175.22 175.28 1krv h SER 71 N 2.06 0.16 0.00 1.98 0.02 -1.87 -3.46 113.55 112.44 1krv h SER 71 Ca -0.21 -0.78 0.00 0.00 -0.84 0.00 0.00 61.79 59.96 1krv h SER 71 Cb 1.25 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1krv h SER 71 CO 0.26 1.41 -0.69 -1.22 -1.14 0.00 0.00 176.83 175.45 1krv n TYR 72 N -4.28 0.00 0.00 3.45 4.02 -1.26 -4.51 117.16 114.57 1krv n TYR 72 Ca -0.23 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.66 1krv n TYR 72 Cb 0.71 0.10 0.00 0.00 -0.02 0.00 0.00 39.34 40.13 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 2.66 2.47 0.00 2.72 0.00 -1.26 -4.47 105.19 107.31 1krv n GLY 73 Ca 0.00 -0.41 0.08 0.00 0.00 0.00 0.00 46.02 45.70 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 1.09 0.00 -1.14 1.61 3.41 -1.22 -2.11 113.62 115.27 1krv n SER 74 Ca 0.00 -0.12 0.11 0.00 -0.26 0.00 0.00 58.87 58.60 1krv n SER 74 Cb 0.00 -0.20 0.23 0.00 -0.26 0.00 0.00 64.21 63.98 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 -1.20 3.50 -4.52 4.04 3.02 -1.26 -4.02 115.26 114.81 1krv n ASN 75 Ca 0.09 -1.97 -0.35 0.00 -0.03 0.00 0.00 54.58 52.32 1krv n ASN 75 Cb 0.11 -0.30 -0.12 0.00 -0.61 0.00 0.00 39.78 38.86 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 -1.28 4.43 -0.09 2.41 1.01 -0.90 -0.48 121.20 126.30 1krv s ILE 76 Ca 0.39 -0.15 0.03 0.00 0.00 0.00 0.00 60.65 60.93 1krv s ILE 76 Cb 0.22 -3.03 -0.01 0.00 0.01 0.00 0.00 42.46 39.65 1krv s ILE 76 CO 0.30 0.40 -0.20 -1.00 0.00 0.00 0.00 174.94 174.44 1krv s HIS 77 N 1.04 2.61 0.09 3.97 3.76 -0.15 -1.35 115.29 125.25 1krv s HIS 77 Ca 0.04 -0.73 0.07 0.00 -0.15 0.00 0.00 55.06 54.28 1krv s HIS 77 Cb -0.14 -1.70 -0.03 0.00 1.11 0.00 0.00 32.58 31.81 1krv s HIS 77 CO 0.03 -0.23 -0.18 0.42 -0.85 0.00 0.00 174.74 173.93 1krv s ILE 78 N 0.06 1.42 0.00 0.60 1.01 0.33 -1.56 121.20 123.07 1krv s ILE 78 Ca -0.08 -1.43 0.00 0.00 0.00 0.00 0.00 60.65 59.13 1krv s ILE 78 Cb -0.15 -1.32 0.00 0.00 0.01 0.00 0.00 42.46 40.99 1krv s ILE 78 CO 0.05 -0.14 0.00 0.61 0.00 0.00 0.00 174.94 175.46 1krv n GLY 79 N 1.17 1.16 3.94 6.18 0.00 -0.89 -2.30 105.19 114.45 1krv n GLY 79 Ca -0.20 -1.70 -0.24 0.00 0.00 0.00 0.00 46.02 43.87 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 1.68 3.22 -1.62 1.61 0.52 -1.26 -0.96 118.95 122.14 1krv s ARG 80 Ca 0.00 -0.27 -0.11 0.00 -0.52 0.00 0.00 55.73 54.83 1krv s ARG 80 Cb 0.00 -2.51 0.10 0.00 0.52 0.00 0.00 34.95 33.05 1krv s ARG 80 CO 0.00 -0.22 0.52 0.09 0.02 0.00 0.00 175.30 175.71 1krv n ASN 81 N -2.11 -1.52 -4.81 0.23 5.03 0.54 -0.97 115.26 111.65 1krv n ASN 81 Ca 0.00 -1.09 -0.35 0.00 0.87 0.00 0.00 54.58 54.02 1krv n ASN 81 Cb 0.57 -2.50 -0.07 0.00 -1.02 0.00 0.00 39.78 36.77 1krv n ASN 81 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 1krv s PHE 82 N -3.67 3.50 -0.14 3.10 5.36 -1.22 -4.03 117.98 120.89 1krv s PHE 82 Ca 0.41 1.58 -0.06 0.00 -0.96 0.00 0.00 56.93 57.91 1krv s PHE 82 Cb -0.23 -2.80 0.06 0.00 -0.34 0.00 0.00 43.02 39.71 1krv s PHE 82 CO 0.94 0.09 0.30 -0.47 -1.46 0.00 0.00 175.22 174.62 1krv s TYR 83 N -1.87 -0.46 -0.02 10.12 6.14 -1.08 -1.56 117.35 128.62 1krv s TYR 83 Ca 0.54 1.02 0.01 0.00 0.64 0.00 0.00 57.07 59.29 1krv s TYR 83 Cb -0.13 0.07 0.01 0.00 0.42 0.00 0.00 41.96 42.33 1krv s TYR 83 CO 0.18 -0.33 -0.04 0.00 0.64 0.00 0.00 175.55 176.01 1krv s ALA 84 N 1.92 0.49 0.80 3.97 0.00 -0.93 -0.69 121.76 127.33 1krv s ALA 84 Ca -0.04 -0.07 -0.05 0.00 0.00 0.00 0.00 51.96 51.80 1krv s ALA 84 Cb -0.11 -0.26 0.15 0.00 0.00 0.00 0.00 23.12 22.90 1krv s ALA 84 CO -0.10 0.03 0.98 -1.71 0.00 0.00 0.00 175.76 174.96 1krv n ASN 85 N 3.60 0.80 -4.32 0.00 2.85 -0.54 -1.17 115.26 116.48 1krv n ASN 85 Ca -0.21 -1.80 -0.41 0.00 -0.11 0.00 0.00 54.58 52.06 1krv n ASN 85 Cb 0.54 -0.68 0.01 0.00 1.24 0.00 0.00 39.78 40.88 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 -3.01 -1.99 -3.81 1.20 3.72 -1.25 -3.67 117.46 108.65 1krv n PHE 86 Ca 0.15 0.56 -0.24 0.00 -0.05 0.00 0.00 57.45 57.87 1krv n PHE 86 Cb 0.51 -1.80 0.01 0.00 -0.94 0.00 0.00 39.48 37.27 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 2.10 -1.33 -4.72 4.37 3.02 -0.46 -0.70 115.26 117.55 1krv n ASN 87 Ca 0.10 -0.93 -0.41 0.00 -0.03 0.00 0.00 54.58 53.31 1krv n ASN 87 Cb 0.42 -3.50 -0.04 0.00 -0.61 0.00 0.00 39.78 36.05 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 -6.77 4.41 -0.15 3.41 2.96 -1.21 -3.60 118.68 117.73 1krv s LEU 88 Ca 0.07 1.62 0.02 0.00 -0.22 0.00 0.00 54.13 55.61 1krv s LEU 88 Cb -0.02 -3.48 0.01 0.00 0.50 0.00 0.00 46.19 43.20 1krv s LEU 88 CO 0.85 -0.16 -0.20 -0.89 -1.32 0.00 0.00 176.35 174.63 1krv s THR 89 N 0.61 1.92 -0.19 3.68 2.01 -0.73 -1.10 115.64 121.84 1krv s THR 89 Ca 0.48 -0.88 0.00 0.00 0.31 0.00 0.00 61.69 61.60 1krv s THR 89 Cb -0.21 -1.72 0.05 0.00 0.01 0.00 0.00 72.50 70.62 1krv s THR 89 CO 0.27 0.52 -0.07 -0.63 -0.69 0.00 0.00 174.62 174.02 1krv s ILE 90 N 1.03 1.41 -0.83 1.82 1.01 0.54 0.28 121.20 126.46 1krv s ILE 90 Ca -0.03 -0.90 -0.19 0.00 0.00 0.00 0.00 60.65 59.54 1krv s ILE 90 Cb -0.15 -1.56 0.13 0.00 0.01 0.00 0.00 42.46 40.89 1krv s ILE 90 CO -0.05 0.10 0.99 -0.69 0.00 0.00 0.00 174.94 175.29 1krv s VAL 91 N 1.49 4.82 -0.95 2.92 1.01 0.16 -2.98 120.40 126.88 1krv s VAL 91 Ca -0.01 -1.47 0.00 0.00 0.00 0.00 0.00 61.98 60.50 1krv s VAL 91 Cb -0.16 -4.68 0.32 0.00 0.00 0.00 0.00 36.38 31.86 1krv s VAL 91 CO -0.08 -1.38 1.66 -0.90 0.00 0.00 0.00 175.10 174.40 1krv n ASP 92 N 6.29 6.82 0.16 3.32 5.75 -1.26 -2.34 116.55 135.30 1krv n ASP 92 Ca 0.14 -3.68 0.13 0.00 -0.01 0.00 0.00 54.79 51.36 1krv n ASP 92 Cb 0.47 -1.06 0.56 0.00 -1.03 0.00 0.00 41.12 40.06 1krv n ASP 92 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1krv h ASP 93 N 4.00 0.00 -5.71 -1.12 3.32 -1.95 -3.41 116.42 111.55 1krv h ASP 93 Ca 0.46 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 57.14 1krv h ASP 93 Cb 0.36 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.80 1krv h ASP 93 CO 1.12 0.00 -0.33 -0.47 -1.72 0.00 0.00 179.24 177.83 1krv s TYR 94 N -3.43 1.40 0.29 4.55 5.04 -1.26 -5.06 117.35 118.88 1krv s TYR 94 Ca 0.02 -1.48 -0.30 0.00 -2.44 0.00 0.00 57.07 52.88 1krv s TYR 94 Cb 0.09 -0.39 -0.13 0.00 0.35 0.00 0.00 41.96 41.88 1krv s TYR 94 CO 0.37 -1.01 1.37 2.41 -1.34 0.00 0.00 175.55 177.35 1krv n THR 95 N -0.59 1.39 -3.93 4.34 -1.04 -1.26 -4.81 114.28 108.38 1krv n THR 95 Ca 0.04 -0.35 -0.23 0.00 -2.04 0.00 0.00 64.05 61.47 1krv n THR 95 Cb 0.62 -1.55 -0.17 0.00 -1.82 0.00 0.00 70.33 67.41 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 -0.48 0.57 -0.09 12.58 1.01 0.37 -2.91 120.40 131.45 1krv s VAL 96 Ca 0.63 -0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.59 1krv s VAL 96 Cb -0.60 -0.66 0.01 0.00 0.00 0.00 0.00 36.38 35.12 1krv s VAL 96 CO 0.55 0.28 -0.18 -0.89 0.00 0.00 0.00 175.10 174.85 1krv s THR 97 N 1.60 1.66 -0.11 3.92 2.01 -0.25 -0.98 115.64 123.48 1krv s THR 97 Ca 0.00 -0.77 0.02 0.00 0.31 0.00 0.00 61.69 61.25 1krv s THR 97 Cb -0.13 -1.47 -0.01 0.00 0.01 0.00 0.00 72.50 70.91 1krv s THR 97 CO -0.04 0.47 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.54 1krv s ILE 98 N 0.60 2.54 0.00 1.82 1.01 -0.60 -0.76 121.20 125.81 1krv s ILE 98 Ca -0.14 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 59.66 1krv s ILE 98 Cb -0.17 -2.02 0.00 0.00 0.01 0.00 0.00 42.46 40.28 1krv s ILE 98 CO 0.05 0.54 0.00 0.61 0.00 0.00 0.00 174.94 176.14 1krv n GLY 99 N 3.51 -1.31 3.88 6.18 0.00 0.72 -2.10 105.19 116.06 1krv n GLY 99 Ca -0.19 -1.35 -0.32 0.00 0.00 0.00 0.00 46.02 44.16 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 -1.43 6.60 -1.53 1.61 1.01 -1.26 -2.78 116.67 118.88 1krv s ASP 100 Ca 0.00 0.80 -0.12 0.00 0.71 0.00 0.00 52.55 53.94 1krv s ASP 100 Cb 0.00 -2.18 0.09 0.00 1.01 0.00 0.00 42.92 41.84 1krv s ASP 100 CO 0.00 0.02 0.88 0.59 0.21 0.00 0.00 175.17 176.87 1krv n ASN 101 N 0.18 -3.81 -4.83 0.27 4.13 -0.14 0.48 115.26 111.54 1krv n ASN 101 Ca -0.02 -0.84 -0.35 0.00 1.68 0.00 0.00 54.58 55.04 1krv n ASN 101 Cb 0.52 -3.63 -0.06 0.00 -1.54 0.00 0.00 39.78 35.07 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 -3.39 4.64 -0.12 2.41 1.01 -1.26 -3.46 120.40 120.24 1krv s VAL 102 Ca 0.56 1.14 -0.01 0.00 0.00 0.00 0.00 61.98 63.68 1krv s VAL 102 Cb -0.29 -3.80 0.03 0.00 0.00 0.00 0.00 36.38 32.32 1krv s VAL 102 CO 0.85 0.16 -0.07 -0.76 0.00 0.00 0.00 175.10 175.28 1krv s LEU 103 N -2.12 1.18 -0.18 3.92 1.43 -0.75 -2.65 118.68 119.52 1krv s LEU 103 Ca 0.44 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 53.21 1krv s LEU 103 Cb -0.15 -0.82 0.01 0.00 0.03 0.00 0.00 46.19 45.26 1krv s LEU 103 CO 0.20 -0.13 -0.16 -0.63 0.23 0.00 0.00 176.35 175.86 1krv s ILE 104 N 1.72 2.45 0.94 -0.59 1.01 0.14 -0.95 121.20 125.91 1krv s ILE 104 Ca 0.05 -0.82 -0.14 0.00 0.00 0.00 0.00 60.65 59.74 1krv s ILE 104 Cb -0.13 -2.04 0.16 0.00 0.01 0.00 0.00 42.46 40.46 1krv s ILE 104 CO -0.08 0.51 1.17 0.00 0.00 0.00 0.00 174.94 176.54 1krv s ALA 105 N 1.15 1.80 0.62 9.38 0.00 -0.95 -1.47 121.76 132.30 1krv s ALA 105 Ca 0.01 -0.68 -0.18 0.00 0.00 0.00 0.00 51.96 51.11 1krv s ALA 105 Cb -0.14 -2.97 -0.05 0.00 0.00 0.00 0.00 23.12 19.96 1krv s ALA 105 CO -0.07 -2.39 0.86 -2.30 0.00 0.00 0.00 175.76 171.86 1krv n PRO 106 N -3.83 0.72 -3.89 0.00 -0.02 -1.26 -4.01 135.00 122.71 1krv n PRO 106 Ca 0.09 0.29 -0.38 0.00 -2.02 0.00 0.00 63.50 61.48 1krv n PRO 106 Cb 0.59 -2.08 0.02 0.00 -0.02 0.00 0.00 33.50 32.02 1krv n PRO 106 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1krv n ASN 107 N -0.69 -4.71 -4.73 2.55 3.02 0.13 -2.70 115.26 108.13 1krv n ASN 107 Ca 0.13 -1.13 -0.28 0.00 -0.03 0.00 0.00 54.58 53.27 1krv n ASN 107 Cb 0.48 -2.24 -0.07 0.00 -0.61 0.00 0.00 39.78 37.34 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 -3.40 4.16 -0.10 2.41 1.01 -1.24 -1.75 120.40 121.51 1krv s VAL 108 Ca 0.39 -1.11 -0.02 0.00 0.00 0.00 0.00 61.98 61.24 1krv s VAL 108 Cb -0.19 -3.07 0.04 0.00 0.00 0.00 0.00 36.38 33.16 1krv s VAL 108 CO 0.92 -0.02 0.02 -0.89 0.00 0.00 0.00 175.10 175.13 1krv s THR 109 N -1.59 0.35 -0.16 3.92 2.01 -0.38 -1.77 115.64 118.03 1krv s THR 109 Ca 0.28 -0.01 -0.05 0.00 0.31 0.00 0.00 61.69 62.23 1krv s THR 109 Cb -0.11 -0.61 -0.03 0.00 0.01 0.00 0.00 72.50 71.76 1krv s THR 109 CO 0.21 0.13 -0.00 -0.76 -0.69 0.00 0.00 174.62 173.51 1krv s LEU 110 N 1.97 3.45 -0.08 4.42 1.02 0.14 -1.65 118.68 127.95 1krv s LEU 110 Ca 0.04 -0.04 -0.03 0.00 0.02 0.00 0.00 54.13 54.12 1krv s LEU 110 Cb -0.13 -1.84 0.04 0.00 0.02 0.00 0.00 46.19 44.28 1krv s LEU 110 CO -0.06 0.19 0.08 -0.55 0.02 0.00 0.00 176.35 176.03 1krv s SER 111 N 0.26 1.39 0.07 2.29 0.15 -0.90 0.40 113.70 117.37 1krv s SER 111 Ca -0.01 -0.07 0.25 0.00 0.70 0.00 0.00 55.95 56.83 1krv s SER 111 Cb -0.13 -0.10 0.57 0.00 -1.71 0.00 0.00 66.02 64.65 1krv s SER 111 CO 0.02 -0.28 1.48 1.33 1.20 0.00 0.00 173.24 177.00 1krv n VAL 112 N 5.30 0.20 -3.85 4.45 0.24 -0.99 -1.42 118.33 122.25 1krv n VAL 112 Ca -0.04 -0.14 -0.35 0.00 -2.04 0.00 0.00 64.34 61.77 1krv n VAL 112 Cb 0.50 -0.09 -0.05 0.00 -1.47 0.00 0.00 33.84 32.73 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 -3.08 5.41 0.18 3.34 2.01 -1.26 -0.64 115.64 121.61 1krv s THR 113 Ca 0.09 0.04 0.04 0.00 0.31 0.00 0.00 61.69 62.17 1krv s THR 113 Cb 0.16 -3.51 -0.02 0.00 0.01 0.00 0.00 72.50 69.14 1krv s THR 113 CO 0.67 0.41 0.16 0.61 -0.69 0.00 0.00 174.62 175.79 1krv n GLY 114 N 1.27 3.40 2.95 4.40 0.00 -0.83 -4.73 105.19 111.64 1krv n GLY 114 Ca -0.13 -1.78 -0.15 0.00 0.00 0.00 0.00 46.02 43.95 1krv n GLY 114 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1krv s HIS 115 N -2.76 0.43 0.30 1.61 3.76 -1.26 -2.48 115.29 114.88 1krv s HIS 115 Ca 0.22 -0.09 -0.28 0.00 -0.15 0.00 0.00 55.06 54.75 1krv s HIS 115 Cb 0.01 -0.27 -0.14 0.00 1.11 0.00 0.00 32.58 33.29 1krv s HIS 115 CO 0.15 -0.01 1.12 -0.35 -0.85 0.00 0.00 174.74 174.81 1krv n PRO 116 N 2.91 1.62 -0.13 8.40 -0.04 -1.26 -4.87 135.00 141.62 1krv n PRO 116 Ca -0.13 0.57 -0.11 0.00 -0.04 0.00 0.00 63.50 63.79 1krv n PRO 116 Cb 0.58 -2.02 -0.02 0.00 -0.04 0.00 0.00 33.50 32.00 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 2.24 1.28 -2.75 0.52 2.07 -1.99 -3.43 116.25 114.19 1krv h VAL 117 Ca -0.42 -1.19 -0.55 0.00 0.82 0.00 0.00 66.70 65.36 1krv h VAL 117 Cb 1.32 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 32.31 1krv h VAL 117 CO 0.62 0.40 0.98 -2.28 0.02 0.00 0.00 177.57 177.31 1krv s HIS 118 N -4.78 2.41 -0.17 1.57 5.65 -1.26 -4.85 115.29 113.86 1krv s HIS 118 Ca -0.12 0.50 0.15 0.00 0.25 0.00 0.00 55.06 55.83 1krv s HIS 118 Cb 0.10 -3.79 0.80 0.00 -1.18 0.00 0.00 32.58 28.50 1krv s HIS 118 CO 0.82 -3.16 1.38 -2.39 -0.65 0.00 0.00 174.74 170.74 1krv n HIS 119 N 6.33 0.50 0.01 3.88 -0.00 -1.26 -1.78 115.22 122.89 1krv n HIS 119 Ca 0.15 0.26 -0.13 0.00 -0.00 0.00 0.00 57.72 58.01 1krv n HIS 119 Cb 0.43 -0.80 -0.09 0.00 -0.00 0.00 0.00 29.99 29.52 1krv n HIS 119 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.34 177.83 1krv h GLU 120 N 0.00 -0.05 0.00 -1.40 4.57 -1.93 -3.09 114.58 112.68 1krv h GLU 120 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1krv h GLU 120 Cb 0.32 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 1krv h GLU 120 CO 0.00 0.39 0.00 1.28 -1.18 0.00 0.00 179.01 179.50 1krv n LEU 121 N -4.90 0.68 -0.71 1.64 4.77 -0.73 -3.20 117.00 114.55 1krv n LEU 121 Ca -0.08 0.67 0.08 0.00 -0.03 0.00 0.00 56.01 56.65 1krv n LEU 121 Cb 0.24 -0.59 0.23 0.00 -2.33 0.00 0.00 43.42 40.97 1krv n LEU 121 CO 0.33 -0.58 0.67 -2.11 -1.33 0.00 0.00 177.39 174.36 1krv n ARG 122 N -2.26 2.43 -0.28 3.23 1.85 -1.21 -4.39 116.66 116.03 1krv n ARG 122 Ca 0.02 -2.81 0.10 0.00 -1.00 0.00 0.00 57.85 54.16 1krv n ARG 122 Cb 0.22 -1.76 0.24 0.00 -1.05 0.00 0.00 32.46 30.11 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 1.30 0.20 -0.70 2.89 1.57 -1.50 0.46 116.57 120.79 1krv h LYS 123 Ca 0.02 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1krv h LYS 123 Cb 1.35 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.60 1krv h LYS 123 CO 0.18 0.13 0.03 0.09 -0.57 0.00 0.00 179.45 179.31 1krv n ASN 124 N -5.23 4.60 -1.16 0.86 5.03 -1.26 -4.87 115.26 113.24 1krv n ASN 124 Ca 0.18 -2.75 -0.10 0.00 0.87 0.00 0.00 54.58 52.78 1krv n ASN 124 Cb 0.59 -0.65 -0.00 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 0.41 -0.02 3.57 7.41 0.00 0.16 -4.96 105.19 111.75 1krv n GLY 125 Ca 0.23 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 1krv n GLY 125 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1krv n GLU 126 N -1.97 0.86 -4.05 1.61 4.71 -1.25 -4.90 120.64 115.66 1krv n GLU 126 Ca -0.11 0.33 -0.10 0.00 -0.01 0.00 0.00 57.16 57.27 1krv n GLU 126 Cb 0.59 -1.98 -0.08 0.00 -1.01 0.00 0.00 31.44 28.95 1krv n GLU 126 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1krv s MET 127 N -2.36 1.08 0.09 3.49 0.23 -0.21 -4.35 119.30 117.27 1krv s MET 127 Ca 0.71 -1.30 0.04 0.00 -1.03 0.00 0.00 55.69 54.11 1krv s MET 127 Cb -0.46 0.32 -0.03 0.00 -1.53 0.00 0.00 34.83 33.13 1krv s MET 127 CO 0.52 -0.36 -0.10 1.52 -2.03 0.00 0.00 175.02 174.56 1krv s TYR 128 N -4.01 1.07 -0.05 3.16 -0.85 -1.03 -0.99 117.35 114.65 1krv s TYR 128 Ca 0.21 -0.63 0.00 0.00 -0.52 0.00 0.00 57.07 56.13 1krv s TYR 128 Cb 0.05 -0.59 0.02 0.00 0.38 0.00 0.00 41.96 41.83 1krv s TYR 128 CO 0.01 0.01 -0.03 -1.12 -1.52 0.00 0.00 175.55 172.90 1krv s SER 129 N -2.36 1.04 -0.16 -0.18 0.01 -1.26 -1.97 113.70 108.81 1krv s SER 129 Ca 0.04 -0.11 -0.01 0.00 1.31 0.00 0.00 55.95 57.18 1krv s SER 129 Cb -0.04 -0.43 0.04 0.00 0.21 0.00 0.00 66.02 65.81 1krv s SER 129 CO 0.00 -0.09 -0.02 -0.36 0.41 0.00 0.00 173.24 173.19 1krv s PHE 130 N 1.16 1.31 0.93 2.43 0.08 0.19 -4.54 117.98 119.54 1krv s PHE 130 Ca -0.07 -0.85 -0.16 0.00 0.12 0.00 0.00 56.93 55.97 1krv s PHE 130 Cb -0.14 -1.13 -0.11 0.00 -0.57 0.00 0.00 43.02 41.07 1krv s PHE 130 CO -0.01 -0.56 -0.42 -0.35 -0.10 0.00 0.00 175.22 173.78 1krv n PRO 131 N 4.98 -0.04 -4.57 0.24 -0.04 -1.26 0.20 135.00 134.50 1krv n PRO 131 Ca -0.10 -0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.12 1krv n PRO 131 Cb 0.48 -1.22 -0.17 0.00 -0.04 0.00 0.00 33.50 32.55 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 -2.08 1.11 -0.17 0.52 1.01 -1.15 -2.22 121.20 118.23 1krv s ILE 132 Ca 0.46 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.65 1krv s ILE 132 Cb -0.23 -1.02 0.01 0.00 0.01 0.00 0.00 42.46 41.24 1krv s ILE 132 CO 0.77 0.35 -0.18 -0.89 0.00 0.00 0.00 174.94 174.99 1krv s THR 133 N 0.64 2.31 -0.19 2.92 2.01 -0.95 -1.09 115.64 121.28 1krv s THR 133 Ca -0.14 -0.87 -0.03 0.00 0.31 0.00 0.00 61.69 60.96 1krv s THR 133 Cb -0.15 -1.97 -0.02 0.00 0.01 0.00 0.00 72.50 70.37 1krv s THR 133 CO 0.03 0.52 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.81 1krv s ILE 134 N 1.17 3.50 0.00 1.82 -1.09 0.06 -0.83 121.20 125.84 1krv s ILE 134 Ca 0.02 -0.47 0.00 0.00 -2.23 0.00 0.00 60.65 57.97 1krv s ILE 134 Cb -0.14 -2.56 0.00 0.00 -1.58 0.00 0.00 42.46 38.18 1krv s ILE 134 CO -0.08 0.45 0.00 0.61 -1.23 0.00 0.00 174.94 174.69 1krv n GLY 135 N 4.29 -2.48 3.87 6.18 0.00 0.80 -0.20 105.19 117.64 1krv n GLY 135 Ca -0.18 -1.41 -0.32 0.00 0.00 0.00 0.00 46.02 44.11 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 -1.56 6.65 -1.49 1.61 0.01 -1.26 -3.22 114.94 115.68 1krv s ASN 136 Ca 0.00 0.95 -0.12 0.00 -0.71 0.00 0.00 52.86 52.97 1krv s ASN 136 Cb 0.00 -2.24 0.08 0.00 0.41 0.00 0.00 41.25 39.50 1krv s ASN 136 CO 0.00 -0.06 0.85 0.59 -1.51 0.00 0.00 177.10 176.98 1krv n ASN 137 N -0.03 -4.74 -4.90 -1.22 4.13 0.18 -0.28 115.26 108.40 1krv n ASN 137 Ca -0.00 -0.66 -0.30 0.00 1.68 0.00 0.00 54.58 55.30 1krv n ASN 137 Cb 0.52 -3.81 -0.04 0.00 -1.54 0.00 0.00 39.78 34.91 1krv n ASN 137 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1krv s VAL 138 N -3.21 5.02 -0.14 2.41 1.01 -1.26 -3.70 120.40 120.54 1krv s VAL 138 Ca 0.59 0.16 -0.01 0.00 0.00 0.00 0.00 61.98 62.71 1krv s VAL 138 Cb -0.29 -3.69 0.04 0.00 0.00 0.00 0.00 36.38 32.44 1krv s VAL 138 CO 0.72 -0.20 -0.01 0.86 0.00 0.00 0.00 175.10 176.47 1krv s TRP 139 N -1.95 1.11 -0.16 5.22 -0.00 -0.92 -1.81 118.94 120.43 1krv s TRP 139 Ca 0.44 -0.65 -0.13 0.00 -0.00 0.00 0.00 56.10 55.76 1krv s TRP 139 Cb -0.11 -1.04 -0.05 0.00 -0.00 0.00 0.00 33.47 32.28 1krv s TRP 139 CO 0.27 -0.50 0.25 0.42 -0.00 0.00 0.00 176.95 177.39 1krv s ILE 140 N 1.83 5.33 1.19 5.86 1.01 -0.13 -1.31 121.20 134.99 1krv s ILE 140 Ca 0.02 0.45 -0.20 0.00 0.00 0.00 0.00 60.65 60.93 1krv s ILE 140 Cb -0.14 -3.58 0.29 0.00 0.01 0.00 0.00 42.46 39.03 1krv s ILE 140 CO -0.07 0.42 1.17 -0.83 0.00 0.00 0.00 174.94 175.63 1krv s GLY 141 N 0.29 1.64 0.47 6.18 0.00 0.26 -2.24 107.32 113.92 1krv s GLY 141 Ca 0.15 -1.14 -0.21 0.00 0.00 0.00 0.00 44.72 43.51 1krv s GLY 141 CO 0.03 -0.22 1.03 -0.56 0.00 0.00 0.00 173.10 173.38 1krv s SER 142 N -4.22 6.46 -1.45 1.64 0.01 -1.26 -3.74 113.70 111.14 1krv s SER 142 Ca 0.73 1.92 -0.08 0.00 1.31 0.00 0.00 55.95 59.83 1krv s SER 142 Cb -0.06 -2.56 0.04 0.00 0.21 0.00 0.00 66.02 63.64 1krv s SER 142 CO 0.55 -0.70 0.69 1.41 0.41 0.00 0.00 173.24 175.61 1krv n HIS 143 N -0.80 -2.07 -2.92 2.43 8.25 -0.71 0.55 115.22 119.94 1krv n HIS 143 Ca 0.08 0.62 -0.28 0.00 -0.26 0.00 0.00 57.72 57.89 1krv n HIS 143 Cb 0.52 -4.04 -0.01 0.00 1.12 0.00 0.00 29.99 27.58 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 -3.14 4.93 -0.16 1.59 1.01 -1.24 -3.53 120.40 119.86 1krv s VAL 144 Ca 0.42 0.16 -0.03 0.00 0.00 0.00 0.00 61.98 62.53 1krv s VAL 144 Cb -0.20 -3.81 0.05 0.00 0.00 0.00 0.00 36.38 32.42 1krv s VAL 144 CO 0.51 -0.64 0.04 -0.69 0.00 0.00 0.00 175.10 174.32 1krv s VAL 145 N -2.48 0.36 -0.30 2.92 1.01 -0.62 -1.25 120.40 120.05 1krv s VAL 145 Ca 0.46 -0.33 -0.13 0.00 0.00 0.00 0.00 61.98 61.99 1krv s VAL 145 Cb -0.10 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 1krv s VAL 145 CO 0.38 -0.13 0.25 -0.63 0.00 0.00 0.00 175.10 174.97 1krv s ILE 146 N 1.94 5.27 0.80 2.22 1.01 -0.66 -0.69 121.20 131.08 1krv s ILE 146 Ca 0.01 0.13 -0.09 0.00 0.00 0.00 0.00 60.65 60.69 1krv s ILE 146 Cb -0.16 -3.63 0.11 0.00 0.01 0.00 0.00 42.46 38.79 1krv s ILE 146 CO -0.08 0.14 1.13 0.20 0.00 0.00 0.00 174.94 176.33 1krv s ASN 147 N 1.73 4.24 0.34 3.58 0.02 -0.56 -2.11 114.94 122.18 1krv s ASN 147 Ca 0.09 0.37 -0.27 0.00 -1.02 0.00 0.00 52.86 52.03 1krv s ASN 147 Cb -0.16 -0.79 -0.13 0.00 0.02 0.00 0.00 41.25 40.19 1krv s ASN 147 CO 0.11 -2.00 1.01 -2.65 0.02 0.00 0.00 177.10 173.58 1krv n PRO 148 N -3.22 1.37 -2.19 -0.60 -0.02 -0.51 -3.09 135.00 126.74 1krv n PRO 148 Ca 0.11 0.49 -0.18 0.00 -2.02 0.00 0.00 63.50 61.89 1krv n PRO 148 Cb 0.60 -1.92 -0.03 0.00 -0.02 0.00 0.00 33.50 32.13 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 1.20 0.06 3.85 -1.23 0.00 0.13 -4.94 105.19 104.26 1krv n GLY 149 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.80 5.13 -0.09 1.61 1.01 -1.18 -4.86 120.40 119.22 1krv s VAL 150 Ca 0.00 0.64 0.05 0.00 0.00 0.00 0.00 61.98 62.67 1krv s VAL 150 Cb 0.00 -3.64 -0.00 0.00 0.00 0.00 0.00 36.38 32.73 1krv s VAL 150 CO 0.00 0.52 -0.24 -0.89 0.00 0.00 0.00 175.10 174.49 1krv s THR 151 N -1.14 2.04 -0.29 3.92 2.01 -1.26 -2.25 115.64 118.67 1krv s THR 151 Ca 0.24 -1.02 -0.03 0.00 0.31 0.00 0.00 61.69 61.19 1krv s THR 151 Cb -0.15 -1.75 0.03 0.00 0.01 0.00 0.00 72.50 70.64 1krv s THR 151 CO 0.13 0.56 0.01 -0.63 -0.69 0.00 0.00 174.62 174.00 1krv s ILE 152 N 0.19 3.24 0.55 1.82 -1.09 -0.01 0.14 121.20 126.05 1krv s ILE 152 Ca -0.14 -1.10 -0.21 0.00 -2.23 0.00 0.00 60.65 56.97 1krv s ILE 152 Cb -0.17 -2.75 -0.04 0.00 -1.58 0.00 0.00 42.46 37.91 1krv s ILE 152 CO 0.07 0.02 1.30 -0.83 -1.23 0.00 0.00 174.94 174.26 1krv s GLY 153 N 1.34 2.84 0.39 6.18 0.00 0.99 -0.14 107.32 118.92 1krv s GLY 153 Ca -0.02 1.20 -0.24 0.00 0.00 0.00 0.00 44.72 45.67 1krv s GLY 153 CO -0.01 1.68 0.62 1.22 0.00 0.00 0.00 173.10 176.61 1krv n ASP 154 N -1.16 -0.55 0.00 1.64 8.00 -1.26 -2.36 116.55 120.86 1krv n ASP 154 Ca 0.11 0.97 0.00 0.00 0.71 0.00 0.00 54.79 56.58 1krv n ASP 154 Cb 0.47 -1.13 0.00 0.00 -0.02 0.00 0.00 41.12 40.43 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 1.30 -3.34 -4.91 -2.24 5.03 0.62 -2.15 115.26 109.56 1krv n ASN 155 Ca 0.12 0.00 -0.28 0.00 0.87 0.00 0.00 54.58 55.29 1krv n ASN 155 Cb 0.37 -2.16 0.08 0.00 -1.02 0.00 0.00 39.78 37.05 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 -2.12 4.70 -0.03 6.41 0.01 -0.99 -4.26 113.70 117.42 1krv s SER 156 Ca 0.00 0.67 0.02 0.00 1.31 0.00 0.00 55.95 57.94 1krv s SER 156 Cb 0.00 -1.25 0.01 0.00 0.21 0.00 0.00 66.02 64.99 1krv s SER 156 CO 0.00 -1.73 -0.06 -0.69 0.41 0.00 0.00 173.24 171.16 1krv s VAL 157 N -3.42 0.60 -0.28 3.43 1.01 -0.74 -2.17 120.40 118.83 1krv s VAL 157 Ca 0.61 -0.23 -0.00 0.00 0.00 0.00 0.00 61.98 62.36 1krv s VAL 157 Cb -0.11 -0.57 0.05 0.00 0.00 0.00 0.00 36.38 35.75 1krv s VAL 157 CO 0.47 0.21 -0.05 -0.63 0.00 0.00 0.00 175.10 175.11 1krv s ILE 158 N 0.46 2.70 0.98 2.22 -1.09 -0.42 -1.24 121.20 124.81 1krv s ILE 158 Ca -0.06 -1.42 -0.14 0.00 -2.23 0.00 0.00 60.65 56.79 1krv s ILE 158 Cb -0.10 -2.54 0.03 0.00 -1.58 0.00 0.00 42.46 38.27 1krv s ILE 158 CO 0.00 -0.04 0.23 0.61 -1.23 0.00 0.00 174.94 174.51 1krv n GLY 159 N 4.57 -2.30 3.77 6.18 0.00 -0.39 0.90 105.19 117.91 1krv n GLY 159 Ca -0.14 -0.75 -0.38 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 -2.34 3.07 0.00 4.61 0.00 -1.26 -3.27 121.76 122.58 1krv s ALA 160 Ca 0.55 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.58 1krv s ALA 160 Cb -0.19 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.50 1krv s ALA 160 CO 0.68 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 176.09 1krv n GLY 161 N 0.59 0.64 3.81 0.00 0.00 0.19 -4.82 105.19 105.59 1krv n GLY 161 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.49 7.08 -0.42 1.61 1.04 -1.20 -4.78 113.70 114.52 1krv s SER 162 Ca 0.00 1.64 -0.10 0.00 0.48 0.00 0.00 55.95 57.98 1krv s SER 162 Cb 0.00 -2.51 0.08 0.00 0.10 0.00 0.00 66.02 63.69 1krv s SER 162 CO 0.00 -0.17 0.27 -0.63 0.98 0.00 0.00 173.24 173.69 1krv s ILE 163 N -1.85 4.30 -0.36 -1.02 -1.09 -0.93 -1.58 121.20 118.66 1krv s ILE 163 Ca 0.54 -1.40 -0.22 0.00 -2.23 0.00 0.00 60.65 57.34 1krv s ILE 163 Cb -0.14 -3.64 0.01 0.00 -1.58 0.00 0.00 42.46 37.11 1krv s ILE 163 CO 0.19 -0.53 0.71 -0.69 -1.23 0.00 0.00 174.94 173.39 1krv s VAL 164 N 1.44 4.81 -0.09 2.92 1.01 0.13 0.30 120.40 130.91 1krv s VAL 164 Ca 0.03 0.74 0.01 0.00 0.00 0.00 0.00 61.98 62.76 1krv s VAL 164 Cb -0.23 -4.15 0.01 0.00 0.00 0.00 0.00 36.38 32.01 1krv s VAL 164 CO 0.02 -0.38 0.61 0.35 0.00 0.00 0.00 175.10 175.71 1krv n THR 165 N 5.69 0.18 -3.89 3.92 -2.24 -1.26 -1.49 114.28 115.19 1krv n THR 165 Ca 0.01 -0.59 -0.10 0.00 -2.27 0.00 0.00 64.05 61.10 1krv n THR 165 Cb 0.48 0.93 -0.09 0.00 -2.10 0.00 0.00 70.33 69.55 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 -0.23 0.63 0.69 -0.78 1.02 -1.26 -4.97 119.74 114.83 1krv s LYS 166 Ca 0.01 -0.67 -0.17 0.00 0.02 0.00 0.00 55.97 55.16 1krv s LYS 166 Cb 0.01 0.25 -0.01 0.00 -0.52 0.00 0.00 37.83 37.56 1krv s LYS 166 CO 0.01 -0.17 0.99 -0.25 -0.92 0.00 0.00 175.35 175.01 1krv n ASP 167 N 0.78 0.68 -4.22 2.83 9.92 -1.26 -4.73 116.55 120.55 1krv n ASP 167 Ca -0.19 0.71 -0.33 0.00 -0.53 0.00 0.00 54.79 54.46 1krv n ASP 167 Cb 0.58 -1.42 -0.16 0.00 -0.64 0.00 0.00 41.12 39.49 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 -1.70 2.32 0.91 0.53 -1.09 0.12 -4.93 121.20 117.36 1krv s ILE 168 Ca 0.75 -0.90 -0.11 0.00 -2.23 0.00 0.00 60.65 58.16 1krv s ILE 168 Cb -0.36 -1.94 0.14 0.00 -1.58 0.00 0.00 42.46 38.71 1krv s ILE 168 CO 0.48 0.54 1.09 -2.16 -1.23 0.00 0.00 174.94 173.66 1krv s PRO 169 N 0.73 1.16 0.57 2.79 0.04 -1.26 -0.01 135.00 139.02 1krv s PRO 169 Ca -0.08 1.02 -0.15 0.00 0.04 0.00 0.00 61.00 61.82 1krv s PRO 169 Cb -0.16 -1.78 -0.05 0.00 0.04 0.00 0.00 34.50 32.55 1krv s PRO 169 CO 0.01 -2.36 1.03 -1.25 0.04 0.00 0.00 177.00 174.46 1krv s PRO 170 N -4.82 3.56 -1.27 0.56 0.04 -1.26 -4.10 135.00 127.71 1krv s PRO 170 Ca 0.64 1.05 -0.03 0.00 0.04 0.00 0.00 61.00 62.69 1krv s PRO 170 Cb -0.19 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.28 1krv s PRO 170 CO 0.58 -0.60 0.44 0.09 0.04 0.00 0.00 177.00 177.54 1krv n ASN 171 N -2.01 -5.19 -4.32 6.66 5.03 -0.92 -4.92 115.26 109.60 1krv n ASN 171 Ca 0.08 -0.21 -0.16 0.00 0.87 0.00 0.00 54.58 55.15 1krv n ASN 171 Cb 0.53 -4.06 -0.10 0.00 -1.02 0.00 0.00 39.78 35.13 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 -3.03 0.94 -0.28 2.41 -7.23 -1.26 -0.50 120.40 111.45 1krv s VAL 172 Ca 0.22 -2.02 -0.03 0.00 -1.81 0.00 0.00 61.98 58.34 1krv s VAL 172 Cb -0.10 -2.34 0.03 0.00 0.56 0.00 0.00 36.38 34.54 1krv s VAL 172 CO 0.27 -0.32 -0.01 -0.69 -0.31 0.00 0.00 175.10 174.04 1krv s VAL 173 N -3.49 3.17 0.10 1.32 1.01 0.79 -1.80 120.40 121.51 1krv s VAL 173 Ca 0.29 -1.08 0.09 0.00 0.00 0.00 0.00 61.98 61.28 1krv s VAL 173 Cb 0.06 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 1krv s VAL 173 CO 0.08 0.06 -0.22 0.00 0.00 0.00 0.00 175.10 175.02 1krv s ALA 174 N 1.34 2.51 0.12 5.51 0.00 -0.37 -0.80 121.76 130.06 1krv s ALA 174 Ca -0.01 -1.36 -0.26 0.00 0.00 0.00 0.00 51.96 50.33 1krv s ALA 174 Cb -0.18 -0.55 0.08 0.00 0.00 0.00 0.00 23.12 22.47 1krv s ALA 174 CO -0.02 0.56 1.04 0.00 0.00 0.00 0.00 175.76 177.35 1krv s ALA 175 N -1.04 -1.79 0.00 0.00 0.00 0.06 -1.26 121.76 117.74 1krv s ALA 175 Ca 0.15 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.33 1krv s ALA 175 Cb -0.10 0.59 0.00 0.00 0.00 0.00 0.00 23.12 23.60 1krv s ALA 175 CO 0.07 -1.05 0.00 0.41 0.00 0.00 0.00 175.76 175.19 1krv n GLY 176 N -0.50 1.71 2.76 0.00 0.00 -1.26 -0.65 105.19 107.25 1krv n GLY 176 Ca -0.06 -2.15 -0.30 0.00 0.00 0.00 0.00 46.02 43.51 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 -1.69 1.04 0.61 1.61 1.01 -1.26 -1.29 120.40 120.43 1krv s VAL 177 Ca 0.00 -1.55 -0.14 0.00 0.00 0.00 0.00 61.98 60.30 1krv s VAL 177 Cb 0.00 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 1krv s VAL 177 CO 0.00 -0.68 1.04 -2.16 0.00 0.00 0.00 175.10 173.30 1krv s PRO 178 N 1.49 3.35 0.32 2.72 0.04 -1.26 -5.01 135.00 136.64 1krv s PRO 178 Ca 0.10 1.02 -0.28 0.00 0.04 0.00 0.00 61.00 61.88 1krv s PRO 178 Cb -0.18 -2.04 -0.13 0.00 0.04 0.00 0.00 34.50 32.19 1krv s PRO 178 CO -0.22 -0.77 1.17 0.00 0.04 0.00 0.00 177.00 177.22 1krv s ARG 180 N -1.73 0.57 0.03 0.00 0.52 0.17 -4.83 118.95 113.69 1krv s ARG 180 Ca 0.57 -0.56 -0.30 0.00 -0.52 0.00 0.00 55.73 54.92 1krv s ARG 180 Cb -0.63 0.23 -0.06 0.00 0.52 0.00 0.00 34.95 35.01 1krv s ARG 180 CO 0.61 -0.15 1.41 0.08 0.02 0.00 0.00 175.30 177.28 1krv s VAL 181 N -2.03 3.59 -0.19 3.52 1.01 -1.26 -0.76 120.40 124.28 1krv s VAL 181 Ca -0.10 1.03 0.15 0.00 0.00 0.00 0.00 61.98 63.07 1krv s VAL 181 Cb -0.04 -3.66 -0.23 0.00 0.00 0.00 0.00 36.38 32.45 1krv s VAL 181 CO -0.01 0.02 0.03 2.30 0.00 0.00 0.00 175.10 177.44 1krv n ILE 182 N 4.49 1.32 -3.61 2.22 -5.35 0.02 -4.93 119.36 113.52 1krv n ILE 182 Ca 0.13 -0.78 -0.02 0.00 -0.27 0.00 0.00 62.75 61.81 1krv n ILE 182 Cb 0.43 -0.60 -0.01 0.00 -1.74 0.00 0.00 39.64 37.72 1krv n ILE 182 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1krv s ARG 183 N -2.46 0.35 0.02 6.28 1.70 -1.13 -5.02 118.95 118.69 1krv s ARG 183 Ca -0.12 -0.16 -0.08 0.00 -0.47 0.00 0.00 55.73 54.90 1krv s ARG 183 Cb 0.06 0.14 -0.05 0.00 -0.57 0.00 0.00 34.95 34.53 1krv s ARG 183 CO 0.75 -0.16 0.31 -2.00 -1.08 0.00 0.00 175.30 173.13 1krv s GLU 184 N -2.43 3.65 -0.43 3.89 2.12 -1.26 -0.15 118.70 124.09 1krv s GLU 184 Ca 0.11 0.03 -0.29 0.00 0.36 0.00 0.00 54.97 55.19 1krv s GLU 184 Cb 0.01 -3.07 0.01 0.00 0.26 0.00 0.00 34.13 31.33 1krv s GLU 184 CO -0.04 0.64 1.45 0.42 -0.54 0.00 0.00 175.26 177.18 1krv s ILE 185 N -1.29 3.84 0.00 -3.70 1.01 0.34 -4.87 121.20 116.53 1krv s ILE 185 Ca 0.28 0.84 0.00 0.00 0.00 0.00 0.00 60.65 61.77 1krv s ILE 185 Cb -0.14 -4.19 0.00 0.00 0.01 0.00 0.00 42.46 38.14 1krv s ILE 185 CO 0.16 -0.79 0.00 -0.46 0.00 0.00 0.00 174.94 173.84 1krv n ASN 186 N 9.12 0.00 0.17 3.58 2.04 -1.26 -4.96 115.26 123.95 1krv n ASN 186 Ca 0.17 -0.04 0.12 0.00 -0.44 0.00 0.00 54.58 54.39 1krv n ASN 186 Cb 0.48 0.00 0.19 0.00 -2.53 0.00 0.00 39.78 37.92 1krv n ASN 186 CO 0.00 0.00 0.00 0.44 -0.44 0.00 0.00 177.26 177.26 1krv h ASP 187 N 0.00 0.00 -0.92 0.53 5.19 -2.01 -3.20 116.42 116.01 1krv h ASP 187 Ca 0.00 -0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 56.39 1krv h ASP 187 Cb 0.00 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.47 1krv h ASP 187 CO 0.00 0.01 0.57 -0.09 -3.12 0.00 0.00 179.24 176.61 1krv h ARG 188 N 0.00 1.24 0.00 3.56 2.43 -1.96 0.11 114.38 119.76 1krv h ARG 188 Ca 0.00 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1krv h ARG 188 Cb 0.93 -0.27 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 1krv h ARG 188 CO 0.00 0.85 0.05 -0.25 -1.51 0.00 0.00 179.97 179.11 1krv n ASP 189 N -4.40 0.33 0.11 -3.80 8.00 -1.21 -0.13 116.55 115.45 1krv n ASP 189 Ca 0.10 0.63 0.12 0.00 0.71 0.00 0.00 54.79 56.35 1krv n ASP 189 Cb 0.04 -0.66 0.28 0.00 -0.02 0.00 0.00 41.12 40.77 1krv n ASP 189 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1krv h LYS 190 N 0.00 0.00 0.00 -1.24 1.79 -0.93 -3.37 116.57 112.82 1krv h LYS 190 Ca 0.00 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.31 1krv h LYS 190 Cb 0.10 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.72 1krv h LYS 190 CO 0.00 0.00 -1.60 0.72 -1.08 0.00 0.00 179.45 177.49 1krv n HIS 191 N -2.39 0.00 -3.35 -1.35 8.25 0.81 -4.88 115.22 112.31 1krv n HIS 191 Ca 0.04 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.09 1krv n HIS 191 Cb 0.46 -0.40 -0.09 0.00 1.12 0.00 0.00 29.99 31.08 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 -2.21 3.19 -0.13 4.41 1.51 -0.23 -0.68 117.35 123.21 1krv s TYR 192 Ca -0.14 -0.17 0.20 0.00 -1.01 0.00 0.00 57.07 55.95 1krv s TYR 192 Cb 0.04 -2.79 -0.19 0.00 -0.11 0.00 0.00 41.96 38.91 1krv s TYR 192 CO 0.23 -0.56 0.64 2.48 -1.11 0.00 0.00 175.55 177.22 1krv n TYR 193 N 5.51 0.50 -3.48 2.71 0.18 -0.50 -4.48 117.16 117.60 1krv n TYR 193 Ca -0.08 0.16 -0.01 0.00 1.88 0.00 0.00 57.90 59.85 1krv n TYR 193 Cb 0.48 -0.85 -0.04 0.00 -0.38 0.00 0.00 39.34 38.56 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 -3.15 -1.35 0.00 -3.48 5.36 -1.24 -5.02 117.98 109.09 1krv s PHE 194 Ca -0.05 2.00 0.00 0.00 -0.96 0.00 0.00 56.93 57.92 1krv s PHE 194 Cb 0.10 0.65 0.00 0.00 -0.34 0.00 0.00 43.02 43.43 1krv s PHE 194 CO 0.84 -0.72 0.00 1.63 -1.46 0.00 0.00 175.22 175.51 1krv n LYS 195 N 5.43 0.00 -1.14 10.12 4.01 -1.26 -0.96 118.16 134.36 1krv n LYS 195 Ca -0.08 0.00 -0.20 0.00 -0.51 0.00 0.00 58.31 57.52 1krv n LYS 195 Cb 0.50 0.00 0.18 0.00 -0.51 0.00 0.00 35.03 35.19 1krv n LYS 195 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1krv n ASP 196 N 8.36 3.64 -4.44 4.39 8.00 -1.26 -4.95 116.55 130.30 1krv n ASP 196 Ca 0.00 -3.67 -0.36 0.00 0.71 0.00 0.00 54.79 51.47 1krv n ASP 196 Cb 0.00 -0.79 -0.13 0.00 -0.02 0.00 0.00 41.12 40.18 1krv n ASP 196 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1krv s TYR 197 N -3.32 3.07 0.54 1.24 1.51 -0.13 -5.07 117.35 115.18 1krv s TYR 197 Ca 0.54 -0.46 0.05 0.00 -1.01 0.00 0.00 57.07 56.19 1krv s TYR 197 Cb 0.46 -2.19 0.05 0.00 -0.11 0.00 0.00 41.96 40.17 1krv s TYR 197 CO 0.07 -0.34 0.74 -1.59 -1.11 0.00 0.00 175.55 173.33 1krv s LYS 198 N 1.43 2.46 -0.18 -0.62 0.00 -1.26 -1.40 119.74 120.17 1krv s LYS 198 Ca 0.05 -1.15 -0.04 0.00 0.00 0.00 0.00 55.97 54.83 1krv s LYS 198 Cb -0.15 -2.58 0.06 0.00 0.00 0.00 0.00 37.83 35.16 1krv s LYS 198 CO 0.02 -0.71 0.07 0.54 0.00 0.00 0.00 175.35 175.27 1krv s VAL 199 N -2.67 0.15 0.12 1.79 0.11 0.14 -4.82 120.40 115.23 1krv s VAL 199 Ca 0.59 -0.31 -0.31 0.00 -2.93 0.00 0.00 61.98 59.02 1krv s VAL 199 Cb -0.09 -0.75 -0.07 0.00 -1.53 0.00 0.00 36.38 33.94 1krv s VAL 199 CO 0.38 -0.24 1.32 -0.70 -3.33 0.00 0.00 175.10 172.52 1krv s GLU 200 N 2.03 4.37 0.38 1.54 -6.30 -1.26 -4.88 118.70 114.57 1krv s GLU 200 Ca 0.01 1.98 0.23 0.00 -2.50 0.00 0.00 54.97 54.69 1krv s GLU 200 Cb -0.16 -3.26 1.36 0.00 0.00 0.00 0.00 34.13 32.07 1krv s GLU 200 CO -0.08 -0.35 1.57 -1.13 0.02 0.00 0.00 175.26 175.29 1krv n SER 201 N 3.67 0.33 -0.76 -1.70 3.41 -1.26 -5.24 113.62 112.08 1krv n SER 201 Ca 0.10 1.61 0.13 0.00 -0.26 0.00 0.00 58.87 60.44 1krv n SER 201 Cb 0.43 -0.78 0.28 0.00 -0.26 0.00 0.00 64.21 63.88 1krv n SER 201 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34