#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kru n MET 3 N 0.00 -0.01 -1.21 3.52 2.81 -1.26 -4.63 117.12 116.35 1kru n MET 3 Ca 0.00 -0.00 -0.47 0.00 -1.81 0.00 0.00 57.70 55.41 1kru n MET 3 Cb 0.00 -1.02 -0.07 0.00 -0.71 0.00 0.00 33.22 31.42 1kru n MET 3 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 1kru n PRO 4 N 2.41 0.00 -0.29 0.03 -0.02 -1.26 -4.70 135.00 131.16 1kru n PRO 4 Ca -0.02 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.54 1kru n PRO 4 Cb 0.56 -1.13 0.23 0.00 -0.02 0.00 0.00 33.50 33.14 1kru n PRO 4 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 1kru h MET 5 N 2.91 0.59 -0.14 -0.52 2.86 -1.93 -0.06 114.93 118.64 1kru h MET 5 Ca -0.36 -0.04 -0.08 0.00 -2.06 0.00 0.00 59.70 57.16 1kru h MET 5 Cb 1.06 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.57 1kru h MET 5 CO 0.60 0.39 -0.26 1.79 1.06 0.00 0.00 176.91 180.48 1kru h THR 6 N 0.60 1.25 -0.49 2.22 1.35 -1.94 -1.66 112.91 114.24 1kru h THR 6 Ca 0.47 -1.16 -0.02 0.00 -0.55 0.00 0.00 66.41 65.15 1kru h THR 6 Cb 0.67 1.43 -0.02 0.00 -1.73 0.00 0.00 68.15 68.50 1kru h THR 6 CO -0.37 0.35 0.24 -0.08 -0.25 0.00 0.00 175.52 175.41 1kru h GLU 7 N 0.24 0.69 -0.58 4.72 4.81 -1.35 -2.26 114.58 120.85 1kru h GLU 7 Ca 0.04 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 1kru h GLU 7 Cb 0.59 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.82 1kru h GLU 7 CO 0.04 0.57 0.28 0.00 -0.73 0.00 0.00 179.01 179.18 1kru h ARG 8 N 0.64 0.80 -0.34 1.92 3.08 -0.76 -2.49 114.38 117.24 1kru h ARG 8 Ca 0.17 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1kru h ARG 8 Cb 0.10 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 1kru h ARG 8 CO -0.02 0.62 0.22 0.82 -1.07 0.00 0.00 179.97 180.53 1kru h ILE 9 N 0.81 1.10 0.00 2.04 2.04 -0.77 -1.32 117.51 121.40 1kru h ILE 9 Ca 0.20 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.85 1kru h ILE 9 Cb 0.07 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 36.76 1kru h ILE 9 CO -0.03 0.09 -0.13 0.03 0.00 0.00 0.00 178.15 178.12 1kru h ARG 10 N 0.45 0.00 0.00 2.37 -0.00 -1.11 -3.03 114.38 113.07 1kru h ARG 10 Ca 0.12 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.60 1kru h ARG 10 Cb -0.04 0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.93 1kru h ARG 10 CO -0.03 0.13 -0.98 0.00 0.00 0.00 0.00 179.97 179.09 1kru n ALA 11 N -2.25 2.84 -0.66 0.04 0.00 -0.90 -4.97 120.51 114.62 1kru n ALA 11 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1kru n ALA 11 Cb 0.27 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.65 1kru n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kru n GLY 12 N 1.27 0.94 3.95 0.00 0.00 -0.62 -5.08 105.19 105.65 1kru n GLY 12 Ca 0.01 -0.47 -0.23 0.00 0.00 0.00 0.00 46.02 45.33 1kru n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kru s LYS 13 N -1.54 3.47 0.69 1.61 1.02 -0.60 -4.88 119.74 119.51 1kru s LYS 13 Ca 0.00 -0.53 -0.15 0.00 0.02 0.00 0.00 55.97 55.31 1kru s LYS 13 Cb 0.00 -2.80 0.02 0.00 -0.52 0.00 0.00 37.83 34.53 1kru s LYS 13 CO 0.00 0.32 1.16 -0.51 -0.92 0.00 0.00 175.35 175.40 1kru s LEU 14 N -3.99 3.36 0.20 3.17 1.43 -1.26 -4.53 118.68 117.06 1kru s LEU 14 Ca 0.37 2.19 -0.24 0.00 -1.03 0.00 0.00 54.13 55.43 1kru s LEU 14 Cb -0.10 -4.57 0.05 0.00 0.03 0.00 0.00 46.19 41.60 1kru s LEU 14 CO 0.32 -1.96 0.89 0.72 0.23 0.00 0.00 176.35 176.55 1kru s PHE 15 N -2.14 -0.14 0.05 0.29 -0.12 -0.30 -4.90 117.98 110.72 1kru s PHE 15 Ca 0.71 -0.23 0.06 0.00 -0.05 0.00 0.00 56.93 57.42 1kru s PHE 15 Cb -0.25 0.67 -0.02 0.00 -0.63 0.00 0.00 43.02 42.78 1kru s PHE 15 CO 0.43 -0.96 -0.17 0.95 -0.05 0.00 0.00 175.22 175.42 1kru s THR 16 N -3.42 1.33 -0.52 -4.49 -4.23 -1.26 -1.27 115.64 101.78 1kru s THR 16 Ca 0.12 -1.11 0.02 0.00 -1.18 0.00 0.00 61.69 59.54 1kru s THR 16 Cb -0.03 -1.19 0.45 0.00 1.34 0.00 0.00 72.50 73.07 1kru s THR 16 CO 0.04 0.06 1.67 -0.90 -0.54 0.00 0.00 174.62 174.94 1kru n ASP 17 N 1.80 6.48 -2.79 3.99 5.68 -1.26 -4.72 116.55 125.74 1kru n ASP 17 Ca -0.18 -3.77 -0.34 0.00 -0.50 0.00 0.00 54.79 50.00 1kru n ASP 17 Cb 0.54 -0.71 0.02 0.00 -1.14 0.00 0.00 41.12 39.83 1kru n ASP 17 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 1kru n MET 18 N -0.80 3.24 -3.93 0.11 2.81 -1.26 -4.05 117.12 113.25 1kru n MET 18 Ca 0.54 -4.09 0.02 0.00 -1.81 0.00 0.00 57.70 52.36 1kru n MET 18 Cb 0.76 -2.27 0.01 0.00 -0.71 0.00 0.00 33.22 31.01 1kru n MET 18 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1kru n GLU 20 N -0.88 -1.81 -0.77 0.00 1.02 -1.26 -1.55 120.64 115.39 1kru n GLU 20 Ca 0.04 0.83 0.00 0.00 -0.02 0.00 0.00 57.16 58.01 1kru n GLU 20 Cb 0.56 -5.38 0.00 0.00 -0.02 0.00 0.00 31.44 26.61 1kru n GLU 20 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1kru n GLY 21 N -0.74 1.42 0.23 0.62 0.00 -1.26 -4.91 105.19 100.54 1kru n GLY 21 Ca -0.18 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.80 1kru n GLY 21 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1kru h LEU 22 N 0.00 0.51 -2.38 0.99 3.38 -1.58 -0.82 115.31 115.41 1kru h LEU 22 Ca 0.00 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1kru h LEU 22 Cb 0.00 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 1kru h LEU 22 CO 0.00 0.35 0.04 -0.65 0.09 0.00 0.00 178.44 178.26 1kru h PRO 23 N 0.64 0.00 0.00 1.13 0.11 -1.77 -0.89 132.00 131.22 1kru h PRO 23 Ca 0.25 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 66.19 1kru h PRO 23 Cb 0.09 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.18 1kru h PRO 23 CO -0.14 0.00 -1.33 1.05 -0.21 0.00 0.00 178.00 177.38 1kru h GLU 24 N 0.00 0.00 -0.02 1.05 9.09 -1.66 -3.01 114.58 120.03 1kru h GLU 24 Ca 0.02 0.00 -0.10 0.00 0.05 0.00 0.00 59.36 59.32 1kru h GLU 24 Cb 0.09 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.17 1kru h GLU 24 CO -0.00 0.32 -0.47 -0.22 0.05 0.00 0.00 179.01 178.70 1kru h LYS 25 N 0.00 0.04 0.00 1.06 3.64 0.08 -1.47 116.57 119.92 1kru h LYS 25 Ca -0.15 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.07 1kru h LYS 25 Cb 1.58 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.38 1kru h LYS 25 CO 0.05 0.50 -0.67 0.00 -2.27 0.00 0.00 179.45 177.05 1kru h ARG 26 N 0.03 0.00 -0.07 1.90 3.08 -1.26 -2.92 114.38 115.14 1kru h ARG 26 Ca -0.00 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.95 1kru h ARG 26 Cb 0.84 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.89 1kru h ARG 26 CO 0.06 0.67 -0.36 1.25 -1.07 0.00 0.00 179.97 180.53 1kru h LEU 27 N 0.00 0.43 -1.42 3.04 5.85 -1.29 -1.72 115.31 120.20 1kru h LEU 27 Ca -0.01 -0.66 0.05 0.00 0.84 0.00 0.00 57.88 58.11 1kru h LEU 27 Cb 1.22 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.08 1kru h LEU 27 CO 0.09 1.02 0.44 -0.09 -0.34 0.00 0.00 178.44 179.56 1kru h ARG 28 N -0.12 0.70 0.19 1.25 2.43 -1.30 -1.01 114.38 116.52 1kru h ARG 28 Ca -0.03 -0.04 -0.30 0.00 -0.81 0.00 0.00 59.98 58.80 1kru h ARG 28 Cb 1.01 -0.16 0.02 0.00 -0.42 0.00 0.00 29.97 30.43 1kru h ARG 28 CO 0.07 0.46 -1.35 0.78 -1.51 0.00 0.00 179.97 178.42 1kru h GLY 29 N 0.72 0.47 2.00 2.80 0.00 -1.50 -2.81 103.07 104.75 1kru h GLY 29 Ca 0.28 -1.19 -0.01 0.00 0.00 0.00 0.00 47.33 46.42 1kru h GLY 29 CO -0.09 1.04 -0.03 0.50 0.00 0.00 0.00 176.54 177.97 1kru h LYS 30 N 0.12 0.00 -0.06 4.80 1.79 -1.06 -1.30 116.57 120.86 1kru h LYS 30 Ca -0.19 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.20 1kru h LYS 30 Cb 2.06 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.72 1kru h LYS 30 CO 0.24 0.03 -0.28 1.15 -1.08 0.00 0.00 179.45 179.51 1kru h THR 31 N 0.00 1.44 -0.50 -0.16 2.02 -1.16 -1.69 112.91 112.85 1kru h THR 31 Ca -0.00 -1.70 -0.10 0.00 0.77 0.00 0.00 66.41 65.38 1kru h THR 31 Cb 0.62 2.36 -0.02 0.00 -1.74 0.00 0.00 68.15 69.37 1kru h THR 31 CO 0.00 0.48 -0.09 -0.07 0.37 0.00 0.00 175.52 176.22 1kru h LEU 32 N -0.22 0.90 -1.15 2.58 4.07 -1.28 -2.94 115.31 117.28 1kru h LEU 32 Ca -0.02 -0.27 -0.09 0.00 0.08 0.00 0.00 57.88 57.58 1kru h LEU 32 Cb 0.93 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.42 1kru h LEU 32 CO 0.06 1.01 -0.40 -0.03 -1.08 0.00 0.00 178.44 178.00 1kru h MET 33 N 0.82 0.06 0.00 1.13 1.85 -1.26 -2.00 114.93 115.52 1kru h MET 33 Ca 0.14 -0.02 -0.11 0.00 -0.61 0.00 0.00 59.70 59.10 1kru h MET 33 Cb 0.61 -0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.62 1kru h MET 33 CO 0.04 0.45 -0.51 -0.92 -0.40 0.00 0.00 176.91 175.57 1kru h TYR 34 N 0.05 0.00 0.03 1.39 3.20 -1.15 -1.76 116.97 118.72 1kru h TYR 34 Ca 0.00 0.00 -0.22 0.00 3.14 0.00 0.00 58.73 61.65 1kru h TYR 34 Cb 0.72 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.99 1kru h TYR 34 CO 0.00 0.51 -0.98 0.93 -1.64 0.00 0.00 178.16 176.98 1kru h GLU 35 N 0.00 0.23 -0.09 1.82 5.08 -1.30 -2.93 114.58 117.39 1kru h GLU 35 Ca -0.01 -0.29 -0.12 0.00 -1.00 0.00 0.00 59.36 57.95 1kru h GLU 35 Cb 1.11 0.09 0.01 0.00 0.50 0.00 0.00 28.75 30.46 1kru h GLU 35 CO 0.07 1.04 -0.42 0.35 -1.00 0.00 0.00 179.01 179.05 1kru h PHE 36 N 0.11 0.59 0.00 4.33 3.57 -1.20 -2.76 116.94 121.59 1kru h PHE 36 Ca -0.07 -0.26 0.00 0.00 3.53 0.00 0.00 57.97 61.18 1kru h PHE 36 Cb 1.64 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 40.29 1kru h PHE 36 CO 0.04 1.02 0.00 -0.91 -2.23 0.00 0.00 178.31 176.23 1kru h ASN 37 N 0.00 0.00 -0.02 0.41 -0.26 -1.41 -2.95 115.58 111.35 1kru h ASN 37 Ca -0.03 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.71 1kru h ASN 37 Cb 1.06 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.32 1kru h ASN 37 CO 0.09 0.00 -0.16 1.41 -1.06 0.00 0.00 177.43 177.71 1kru n HIS 38 N -3.05 0.00 -2.11 1.19 8.25 -1.11 -4.83 115.22 113.56 1kru n HIS 38 Ca 0.01 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.08 1kru n HIS 38 Cb 0.33 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.43 1kru n HIS 38 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1kru s SER 39 N -1.71 6.39 0.37 0.41 1.04 -1.04 -4.98 113.70 114.17 1kru s SER 39 Ca 0.18 2.58 -0.26 0.00 0.48 0.00 0.00 55.95 58.93 1kru s SER 39 Cb 0.14 -2.63 -0.09 0.00 0.10 0.00 0.00 66.02 63.54 1kru s SER 39 CO 0.31 -0.79 1.15 -2.28 0.98 0.00 0.00 173.24 172.61 1kru s HIS 40 N -1.29 3.20 0.64 5.02 2.46 -1.26 -4.91 115.29 119.15 1kru s HIS 40 Ca 0.56 1.59 0.34 0.00 0.47 0.00 0.00 55.06 58.02 1kru s HIS 40 Cb -0.36 -3.36 1.84 0.00 -0.13 0.00 0.00 32.58 30.57 1kru s HIS 40 CO 0.47 -1.11 2.04 -1.00 -2.47 0.00 0.00 174.74 172.66 1kru h PRO 41 N 2.93 0.00 -0.01 2.88 0.13 -1.99 0.15 132.00 136.10 1kru h PRO 41 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1kru h PRO 41 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1kru h PRO 41 CO 0.64 0.00 -0.20 -1.13 -0.23 0.00 0.00 178.00 177.08 1kru n SER 42 N -2.92 0.96 -3.52 1.44 3.41 -1.26 -4.26 113.62 107.47 1kru n SER 42 Ca -0.02 -0.89 -0.40 0.00 -0.26 0.00 0.00 58.87 57.30 1kru n SER 42 Cb 0.28 0.08 -0.01 0.00 -0.26 0.00 0.00 64.21 64.31 1kru n SER 42 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1kru n GLU 43 N -0.63 4.23 -0.11 4.33 1.02 0.51 -4.67 120.64 125.33 1kru n GLU 43 Ca 0.13 -3.22 -0.10 0.00 -0.02 0.00 0.00 57.16 53.96 1kru n GLU 43 Cb 0.33 -2.73 -0.02 0.00 -0.02 0.00 0.00 31.44 29.00 1kru n GLU 43 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1kru h VAL 44 N 2.90 1.21 -0.65 2.62 2.07 -1.81 -1.64 116.25 120.94 1kru h VAL 44 Ca 0.68 -0.67 -0.04 0.00 0.82 0.00 0.00 66.70 67.49 1kru h VAL 44 Cb 0.36 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 1kru h VAL 44 CO 1.57 0.23 0.24 -0.33 0.02 0.00 0.00 177.57 179.30 1kru h GLU 45 N 0.36 0.98 -0.72 1.57 3.07 -1.97 -1.23 114.58 116.64 1kru h GLU 45 Ca 0.10 -0.19 -0.05 0.00 -0.50 0.00 0.00 59.36 58.72 1kru h GLU 45 Cb 0.25 -0.15 -0.03 0.00 -0.84 0.00 0.00 28.75 27.98 1kru h GLU 45 CO -0.00 0.84 0.24 -0.22 -1.40 0.00 0.00 179.01 178.47 1kru h LYS 46 N 0.92 1.10 0.01 2.33 3.64 -1.90 -2.30 116.57 120.38 1kru h LYS 46 Ca 0.21 -0.22 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1kru h LYS 46 Cb 0.23 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1kru h LYS 46 CO -0.01 0.92 -0.01 0.00 -2.27 0.00 0.00 179.45 178.08 1kru h ARG 47 N 1.06 -0.02 -0.85 1.90 3.08 -1.06 -0.31 114.38 118.19 1kru h ARG 47 Ca 0.24 0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.42 1kru h ARG 47 Cb 0.27 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.24 1kru h ARG 47 CO -0.01 0.33 0.46 0.93 -1.07 0.00 0.00 179.97 180.60 1kru h GLU 48 N -0.37 0.66 0.00 0.04 5.08 -1.14 0.28 114.58 119.13 1kru h GLU 48 Ca -0.00 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 1kru h GLU 48 Cb 0.36 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1kru h GLU 48 CO 0.00 0.44 -0.34 0.66 -1.00 0.00 0.00 179.01 178.77 1kru h SER 49 N 0.68 0.00 -0.06 1.42 4.64 -1.38 -3.20 113.55 115.66 1kru h SER 49 Ca 0.45 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.57 1kru h SER 49 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1kru h SER 49 CO -0.33 0.23 -0.67 -0.07 -0.87 0.00 0.00 176.83 175.12 1kru h LEU 50 N 0.00 0.79 -0.84 5.97 3.38 0.81 -2.74 115.31 122.68 1kru h LEU 50 Ca -0.01 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1kru h LEU 50 Cb 1.18 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1kru h LEU 50 CO 0.03 1.25 0.00 -0.29 0.09 0.00 0.00 178.44 179.51 1kru h ILE 51 N 0.49 0.00 0.00 1.22 2.10 -1.08 0.28 117.51 120.52 1kru h ILE 51 Ca -0.02 -0.40 -0.19 0.00 1.08 0.00 0.00 64.86 65.33 1kru h ILE 51 Cb 1.27 1.28 -0.03 0.00 -1.09 0.00 0.00 36.82 38.24 1kru h ILE 51 CO 0.13 0.00 -0.90 0.11 -1.08 0.00 0.00 178.15 176.42 1kru h LYS 52 N 0.00 0.00 0.12 2.19 1.57 -1.50 -3.24 116.57 115.70 1kru h LYS 52 Ca 0.00 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.60 1kru h LYS 52 Cb 0.50 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.82 1kru h LYS 52 CO 0.00 0.90 -0.81 1.49 -0.57 0.00 0.00 179.45 180.46 1kru h GLU 53 N 0.00 0.25 0.00 3.15 4.81 -1.06 -3.39 114.58 118.34 1kru h GLU 53 Ca -0.01 -0.43 0.02 0.00 -0.13 0.00 0.00 59.36 58.82 1kru h GLU 53 Cb 1.67 0.16 -0.03 0.00 0.63 0.00 0.00 28.75 31.18 1kru h GLU 53 CO 0.12 1.20 -0.16 0.52 -0.73 0.00 0.00 179.01 179.96 1kru h MET 54 N -0.45 -0.25 -6.67 1.92 2.86 -1.08 -3.45 114.93 107.82 1kru h MET 54 Ca -0.15 0.02 -0.49 0.00 -2.06 0.00 0.00 59.70 57.01 1kru h MET 54 Cb 1.58 0.06 0.01 0.00 0.06 0.00 0.00 31.60 33.31 1kru h MET 54 CO 0.11 -0.17 -0.06 -0.06 1.06 0.00 0.00 176.91 177.79 1kru s PHE 55 N -6.13 3.52 0.05 -0.22 2.99 -1.22 -3.19 117.98 113.78 1kru s PHE 55 Ca -0.15 0.60 -0.23 0.00 0.00 0.00 0.00 56.93 57.15 1kru s PHE 55 Cb 0.09 -2.10 -0.16 0.00 0.00 0.00 0.00 43.02 40.85 1kru s PHE 55 CO 0.66 -0.01 1.55 0.00 -0.00 0.00 0.00 175.22 177.42 1kru h ALA 56 N 0.79 0.05 -3.62 5.36 0.00 -1.39 -3.44 119.26 117.02 1kru h ALA 56 Ca -0.48 -0.11 -0.27 0.00 0.00 0.00 0.00 54.91 54.05 1kru h ALA 56 Cb 1.21 -0.01 -0.31 0.00 0.00 0.00 0.00 17.79 18.67 1kru h ALA 56 CO 0.63 -0.35 -0.73 0.99 0.00 0.00 0.00 179.25 179.79 1kru s THR 57 N -5.38 -0.03 -0.05 0.00 2.01 -1.20 -5.04 115.64 105.95 1kru s THR 57 Ca -0.14 0.12 -0.00 0.00 0.31 0.00 0.00 61.69 61.97 1kru s THR 57 Cb 0.05 -0.05 0.03 0.00 0.01 0.00 0.00 72.50 72.53 1kru s THR 57 CO 0.67 0.05 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.96 1kru s VAL 58 N 0.58 0.32 0.92 3.82 1.01 -1.25 -0.90 120.40 124.90 1kru s VAL 58 Ca -0.05 0.09 -0.12 0.00 0.00 0.00 0.00 61.98 61.90 1kru s VAL 58 Cb -0.07 -0.44 0.14 0.00 0.00 0.00 0.00 36.38 36.01 1kru s VAL 58 CO -0.02 0.22 1.14 -0.83 0.00 0.00 0.00 175.10 175.61 1kru s GLY 59 N 1.53 1.57 0.50 4.51 0.00 -0.79 -5.00 107.32 109.65 1kru s GLY 59 Ca -0.02 -0.52 -0.20 0.00 0.00 0.00 0.00 44.72 43.98 1kru s GLY 59 CO -0.03 0.04 1.05 -1.83 0.00 0.00 0.00 173.10 172.34 1kru s GLU 60 N -5.26 3.70 -0.51 2.90 1.03 -1.26 -3.81 118.70 115.49 1kru s GLU 60 Ca 0.64 1.39 -0.00 0.00 0.03 0.00 0.00 54.97 57.03 1kru s GLU 60 Cb -0.15 -2.08 0.00 0.00 -0.80 0.00 0.00 34.13 31.10 1kru s GLU 60 CO 0.54 -0.52 0.02 0.09 -1.33 0.00 0.00 175.26 174.05 1kru n ASN 61 N -1.09 -2.45 -4.87 0.83 3.02 -1.26 -1.81 115.26 107.64 1kru n ASN 61 Ca 0.10 -0.01 -0.31 0.00 -0.03 0.00 0.00 54.58 54.32 1kru n ASN 61 Cb 0.52 -1.77 -0.04 0.00 -0.61 0.00 0.00 39.78 37.88 1kru n ASN 61 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1kru s ALA 62 N -2.34 3.40 -0.20 5.41 0.00 -1.25 -3.65 121.76 123.13 1kru s ALA 62 Ca 0.01 -0.17 -0.10 0.00 0.00 0.00 0.00 51.96 51.69 1kru s ALA 62 Cb -0.00 -2.65 0.07 0.00 0.00 0.00 0.00 23.12 20.55 1kru s ALA 62 CO 0.01 0.19 0.48 -0.46 0.00 0.00 0.00 175.76 175.98 1kru s TRP 63 N -2.15 -0.78 -0.17 0.00 -0.11 -0.60 -4.94 118.94 110.19 1kru s TRP 63 Ca 0.51 1.56 0.00 0.00 1.22 0.00 0.00 56.10 59.40 1kru s TRP 63 Cb -0.10 0.38 0.03 0.00 -1.50 0.00 0.00 33.47 32.27 1kru s TRP 63 CO 0.25 -0.43 -0.12 0.08 -4.62 0.00 0.00 176.95 172.12 1kru s VAL 64 N 1.81 1.57 -0.19 5.86 1.01 -1.26 -1.69 120.40 127.52 1kru s VAL 64 Ca -0.08 -0.78 -0.29 0.00 0.00 0.00 0.00 61.98 60.83 1kru s VAL 64 Cb -0.09 -1.56 -0.00 0.00 0.00 0.00 0.00 36.38 34.73 1kru s VAL 64 CO -0.14 0.32 1.11 -0.70 0.00 0.00 0.00 175.10 175.68 1kru s GLU 65 N 1.46 4.28 0.69 2.72 2.56 -0.54 -5.00 118.70 124.86 1kru s GLU 65 Ca 0.02 1.46 -0.13 0.00 0.00 0.00 0.00 54.97 56.33 1kru s GLU 65 Cb -0.14 -3.66 0.01 0.00 2.00 0.00 0.00 34.13 32.34 1kru s GLU 65 CO -0.10 -0.60 1.08 -2.14 -0.56 0.00 0.00 175.26 172.94 1kru s PRO 66 N 3.08 2.77 0.57 4.30 0.02 -1.26 -4.14 135.00 140.34 1kru s PRO 66 Ca 0.48 1.17 -0.08 0.00 0.02 0.00 0.00 61.00 62.59 1kru s PRO 66 Cb -0.18 -1.96 -0.03 0.00 0.02 0.00 0.00 34.50 32.36 1kru s PRO 66 CO 0.11 -1.25 0.93 -1.25 -0.33 0.00 0.00 177.00 175.20 1kru s PRO 67 N -4.58 3.41 0.03 5.54 0.04 -1.26 -4.61 135.00 133.57 1kru s PRO 67 Ca 0.62 0.41 0.05 0.00 0.04 0.00 0.00 61.00 62.13 1kru s PRO 67 Cb -0.17 -2.21 -0.02 0.00 0.04 0.00 0.00 34.50 32.14 1kru s PRO 67 CO 0.48 -0.49 -0.16 0.08 0.04 0.00 0.00 177.00 176.95 1kru s VAL 68 N -3.00 1.28 -0.05 -0.36 1.01 -1.26 -1.74 120.40 116.27 1kru s VAL 68 Ca 0.52 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.55 1kru s VAL 68 Cb -0.11 -1.12 0.02 0.00 0.00 0.00 0.00 36.38 35.17 1kru s VAL 68 CO 0.49 0.14 -0.08 -0.31 0.00 0.00 0.00 175.10 175.35 1kru s TYR 69 N -0.71 1.01 0.23 5.22 1.51 -0.03 -4.93 117.35 119.65 1kru s TYR 69 Ca 0.04 -0.33 -0.11 0.00 -1.01 0.00 0.00 57.07 55.67 1kru s TYR 69 Cb -0.08 -0.81 -0.01 0.00 -0.11 0.00 0.00 41.96 40.96 1kru s TYR 69 CO 0.01 -0.22 0.40 -0.59 -1.11 0.00 0.00 175.55 174.04 1kru s PHE 70 N 0.78 0.48 -0.09 2.71 -0.71 -1.26 0.59 117.98 120.47 1kru s PHE 70 Ca -0.13 -0.82 -0.03 0.00 -1.04 0.00 0.00 56.93 54.92 1kru s PHE 70 Cb -0.15 0.04 -0.01 0.00 -1.21 0.00 0.00 43.02 41.69 1kru s PHE 70 CO 0.02 -0.90 -0.05 0.77 -1.34 0.00 0.00 175.22 173.72 1kru h SER 71 N 2.35 0.00 -2.85 1.98 0.02 -1.84 -3.47 113.55 109.74 1kru h SER 71 Ca -0.28 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 60.05 1kru h SER 71 Cb 1.25 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.62 1kru h SER 71 CO 0.40 0.49 -0.79 -0.31 -1.14 0.00 0.00 176.83 175.48 1kru s TYR 72 N -1.66 2.23 -0.17 3.45 1.51 -1.26 -4.57 117.35 116.88 1kru s TYR 72 Ca -0.04 -0.37 0.16 0.00 -1.01 0.00 0.00 57.07 55.81 1kru s TYR 72 Cb 0.01 -1.05 -0.24 0.00 -0.11 0.00 0.00 41.96 40.57 1kru s TYR 72 CO 0.06 0.56 0.18 0.41 -1.11 0.00 0.00 175.55 175.66 1kru n GLY 73 N -0.10 -0.98 0.04 0.71 0.00 -1.26 -4.48 105.19 99.13 1kru n GLY 73 Ca -0.09 -0.27 0.02 0.00 0.00 0.00 0.00 46.02 45.67 1kru n GLY 73 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1kru n SER 74 N -2.83 0.12 -0.78 1.61 3.41 -1.19 -1.94 113.62 112.02 1kru n SER 74 Ca -0.30 0.49 0.12 0.00 -0.26 0.00 0.00 58.87 58.93 1kru n SER 74 Cb 1.13 -0.50 0.21 0.00 -0.26 0.00 0.00 64.21 64.79 1kru n SER 74 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1kru n ASN 75 N -1.61 2.48 -4.63 4.04 3.02 -1.26 -4.15 115.26 113.15 1kru n ASN 75 Ca -0.00 -1.80 -0.37 0.00 -0.03 0.00 0.00 54.58 52.37 1kru n ASN 75 Cb 0.08 0.04 -0.10 0.00 -0.61 0.00 0.00 39.78 39.20 1kru n ASN 75 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1kru s ILE 76 N -2.05 5.30 -0.16 2.41 1.01 -0.82 -1.29 121.20 125.60 1kru s ILE 76 Ca 0.30 0.28 -0.00 0.00 0.00 0.00 0.00 60.65 61.22 1kru s ILE 76 Cb 0.20 -3.56 -0.00 0.00 0.01 0.00 0.00 42.46 39.11 1kru s ILE 76 CO 0.34 0.28 -0.14 -1.00 0.00 0.00 0.00 174.94 174.42 1kru s HIS 77 N 1.44 2.81 0.00 3.97 3.76 0.01 -1.74 115.29 125.55 1kru s HIS 77 Ca 0.09 -1.03 0.07 0.00 -0.15 0.00 0.00 55.06 54.05 1kru s HIS 77 Cb -0.15 -1.92 -0.02 0.00 1.11 0.00 0.00 32.58 31.60 1kru s HIS 77 CO 0.08 -0.48 -0.22 0.42 -0.85 0.00 0.00 174.74 173.68 1kru s ILE 78 N 0.90 1.78 0.00 0.60 1.01 -0.08 -0.51 121.20 124.90 1kru s ILE 78 Ca -0.03 -1.06 0.00 0.00 0.00 0.00 0.00 60.65 59.55 1kru s ILE 78 Cb -0.15 -1.50 0.00 0.00 0.01 0.00 0.00 42.46 40.82 1kru s ILE 78 CO -0.01 0.41 0.00 0.61 0.00 0.00 0.00 174.94 175.95 1kru n GLY 79 N 2.28 0.71 3.87 6.18 0.00 -0.34 -1.88 105.19 116.01 1kru n GLY 79 Ca -0.16 -1.64 -0.31 0.00 0.00 0.00 0.00 46.02 43.92 1kru n GLY 79 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kru s ARG 80 N 0.87 3.50 -1.32 1.61 0.52 -1.26 -2.35 118.95 120.52 1kru s ARG 80 Ca 0.00 0.66 -0.15 0.00 -0.52 0.00 0.00 55.73 55.72 1kru s ARG 80 Cb 0.00 -2.10 0.14 0.00 0.52 0.00 0.00 34.95 33.52 1kru s ARG 80 CO 0.00 -0.60 0.46 0.09 0.02 0.00 0.00 175.30 175.27 1kru n ASN 81 N -2.74 -2.21 -4.77 0.23 5.03 -0.75 -1.34 115.26 108.71 1kru n ASN 81 Ca 0.06 -0.65 -0.39 0.00 0.87 0.00 0.00 54.58 54.47 1kru n ASN 81 Cb 0.55 -1.90 -0.04 0.00 -1.02 0.00 0.00 39.78 37.37 1kru n ASN 81 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 1kru s PHE 82 N -2.90 3.42 -0.08 3.10 5.36 -1.24 -4.18 117.98 121.47 1kru s PHE 82 Ca 0.55 1.66 -0.03 0.00 -0.96 0.00 0.00 56.93 58.14 1kru s PHE 82 Cb -0.31 -3.28 0.04 0.00 -0.34 0.00 0.00 43.02 39.13 1kru s PHE 82 CO 0.67 -0.73 0.14 -0.47 -1.46 0.00 0.00 175.22 173.37 1kru s TYR 83 N -1.30 -0.12 -0.07 10.12 5.04 -0.81 -1.56 117.35 128.66 1kru s TYR 83 Ca 0.49 0.52 0.05 0.00 -2.44 0.00 0.00 57.07 55.69 1kru s TYR 83 Cb -0.30 -0.32 -0.01 0.00 0.35 0.00 0.00 41.96 41.69 1kru s TYR 83 CO 0.39 -0.26 -0.24 0.00 -1.34 0.00 0.00 175.55 174.10 1kru s ALA 84 N 2.26 2.10 0.69 3.97 0.00 -0.68 -0.72 121.76 129.38 1kru s ALA 84 Ca 0.04 -0.99 -0.03 0.00 0.00 0.00 0.00 51.96 50.98 1kru s ALA 84 Cb -0.12 -0.69 0.09 0.00 0.00 0.00 0.00 23.12 22.40 1kru s ALA 84 CO -0.05 0.37 0.58 -1.71 0.00 0.00 0.00 175.76 174.96 1kru n ASN 85 N 3.10 0.54 -4.37 0.00 2.85 0.18 -1.47 115.26 116.08 1kru n ASN 85 Ca -0.18 -1.51 -0.42 0.00 -0.11 0.00 0.00 54.58 52.36 1kru n ASN 85 Cb 0.52 -0.40 0.00 0.00 1.24 0.00 0.00 39.78 41.14 1kru n ASN 85 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1kru n PHE 86 N -2.39 -1.32 -3.99 1.20 3.01 -1.26 -3.78 117.46 108.93 1kru n PHE 86 Ca 0.09 0.63 -0.26 0.00 1.01 0.00 0.00 57.45 58.92 1kru n PHE 86 Cb 0.31 -1.88 -0.03 0.00 -0.01 0.00 0.00 39.48 37.88 1kru n PHE 86 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1kru n ASN 87 N 1.85 -0.34 -4.70 4.37 3.02 -0.71 -0.70 115.26 118.04 1kru n ASN 87 Ca 0.12 -1.04 -0.42 0.00 -0.03 0.00 0.00 54.58 53.21 1kru n ASN 87 Cb 0.39 -2.87 -0.03 0.00 -0.61 0.00 0.00 39.78 36.65 1kru n ASN 87 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1kru s LEU 88 N -7.01 4.30 -0.17 3.41 2.96 -1.23 -3.60 118.68 117.34 1kru s LEU 88 Ca 0.02 1.45 -0.01 0.00 -0.22 0.00 0.00 54.13 55.37 1kru s LEU 88 Cb -0.01 -3.41 -0.00 0.00 0.50 0.00 0.00 46.19 43.26 1kru s LEU 88 CO 0.90 -0.30 -0.12 -0.89 -1.32 0.00 0.00 176.35 174.62 1kru s THR 89 N 1.40 2.90 -0.23 3.68 2.01 -0.16 -0.85 115.64 124.40 1kru s THR 89 Ca 0.46 -0.68 -0.00 0.00 0.31 0.00 0.00 61.69 61.78 1kru s THR 89 Cb -0.19 -2.26 0.06 0.00 0.01 0.00 0.00 72.50 70.13 1kru s THR 89 CO 0.21 0.49 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.98 1kru s ILE 90 N 1.00 1.28 -0.96 1.82 1.09 0.20 -0.49 121.20 125.14 1kru s ILE 90 Ca -0.01 -1.11 -0.19 0.00 -1.10 0.00 0.00 60.65 58.24 1kru s ILE 90 Cb -0.15 -1.63 0.11 0.00 -1.06 0.00 0.00 42.46 39.73 1kru s ILE 90 CO -0.02 -0.17 1.20 -0.69 -0.10 0.00 0.00 174.94 175.16 1kru s VAL 91 N 1.50 4.56 -1.03 2.92 1.01 0.44 -3.08 120.40 126.72 1kru s VAL 91 Ca -0.03 -1.43 -0.04 0.00 0.00 0.00 0.00 61.98 60.47 1kru s VAL 91 Cb -0.18 -4.84 0.28 0.00 0.00 0.00 0.00 36.38 31.64 1kru s VAL 91 CO -0.08 -1.60 1.21 -0.90 0.00 0.00 0.00 175.10 173.74 1kru n ASP 92 N 7.02 5.62 0.00 3.32 5.75 -1.26 -2.31 116.55 134.69 1kru n ASP 92 Ca 0.26 -3.27 0.14 0.00 -0.01 0.00 0.00 54.79 51.92 1kru n ASP 92 Cb 0.49 -1.22 0.71 0.00 -1.03 0.00 0.00 41.12 40.07 1kru n ASP 92 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1kru n ASP 93 N 1.81 0.00 -3.27 -1.12 8.00 -1.26 -4.24 116.55 116.47 1kru n ASP 93 Ca 0.25 0.08 -0.12 0.00 0.71 0.00 0.00 54.79 55.71 1kru n ASP 93 Cb 0.36 -0.36 -0.03 0.00 -0.02 0.00 0.00 41.12 41.08 1kru n ASP 93 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1kru s TYR 94 N -2.72 0.73 0.22 1.24 5.04 -1.26 -5.04 117.35 115.56 1kru s TYR 94 Ca 0.23 -1.09 -0.30 0.00 -2.44 0.00 0.00 57.07 53.47 1kru s TYR 94 Cb 0.20 0.18 -0.15 0.00 0.35 0.00 0.00 41.96 42.54 1kru s TYR 94 CO 0.48 -1.23 1.02 2.41 -1.34 0.00 0.00 175.55 176.90 1kru n THR 95 N -0.53 1.45 -3.79 4.34 -1.04 -1.26 -4.79 114.28 108.65 1kru n THR 95 Ca -0.02 -0.36 -0.23 0.00 -2.04 0.00 0.00 64.05 61.40 1kru n THR 95 Cb 0.61 -0.79 -0.17 0.00 -1.82 0.00 0.00 70.33 68.16 1kru n THR 95 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1kru s VAL 96 N -0.63 0.46 -0.14 12.58 1.01 -0.41 -2.99 120.40 130.27 1kru s VAL 96 Ca 0.67 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.74 1kru s VAL 96 Cb -0.81 -0.60 0.01 0.00 0.00 0.00 0.00 36.38 34.98 1kru s VAL 96 CO 0.56 0.27 -0.22 -0.89 0.00 0.00 0.00 175.10 174.82 1kru s THR 97 N 1.94 2.07 -0.11 3.92 2.01 -0.13 -0.81 115.64 124.53 1kru s THR 97 Ca 0.05 -0.97 0.03 0.00 0.31 0.00 0.00 61.69 61.11 1kru s THR 97 Cb -0.12 -1.83 -0.00 0.00 0.01 0.00 0.00 72.50 70.56 1kru s THR 97 CO -0.06 0.55 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.58 1kru s ILE 98 N 0.86 2.28 0.00 1.82 1.01 0.33 0.36 121.20 127.86 1kru s ILE 98 Ca -0.06 -0.94 0.00 0.00 0.00 0.00 0.00 60.65 59.66 1kru s ILE 98 Cb -0.15 -1.90 0.00 0.00 0.01 0.00 0.00 42.46 40.42 1kru s ILE 98 CO -0.03 0.55 0.00 0.61 0.00 0.00 0.00 174.94 176.07 1kru n GLY 99 N 3.58 -0.09 3.91 6.18 0.00 0.57 -1.20 105.19 118.15 1kru n GLY 99 Ca -0.19 -1.41 -0.28 0.00 0.00 0.00 0.00 46.02 44.15 1kru n GLY 99 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1kru s ASP 100 N -1.21 6.42 -1.49 1.61 1.01 -1.26 -2.72 116.67 119.02 1kru s ASP 100 Ca 0.00 0.59 -0.08 0.00 0.71 0.00 0.00 52.55 53.78 1kru s ASP 100 Cb 0.00 -2.09 0.06 0.00 1.01 0.00 0.00 42.92 41.90 1kru s ASP 100 CO 0.00 -0.14 0.68 0.59 0.21 0.00 0.00 175.17 176.50 1kru n ASN 101 N -0.86 -2.18 -4.79 0.27 5.03 -0.45 0.59 115.26 112.87 1kru n ASN 101 Ca -0.03 -0.93 -0.38 0.00 0.87 0.00 0.00 54.58 54.12 1kru n ASN 101 Cb 0.54 -3.32 -0.06 0.00 -1.02 0.00 0.00 39.78 35.92 1kru n ASN 101 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1kru s VAL 102 N -3.60 5.14 -0.19 2.41 1.01 -1.26 -3.43 120.40 120.48 1kru s VAL 102 Ca 0.33 0.78 -0.00 0.00 0.00 0.00 0.00 61.98 63.09 1kru s VAL 102 Cb -0.17 -3.70 0.01 0.00 0.00 0.00 0.00 36.38 32.51 1kru s VAL 102 CO 0.87 0.49 -0.17 -0.22 0.00 0.00 0.00 175.10 176.08 1kru s LEU 103 N -0.41 2.30 -0.21 3.92 0.20 0.25 -1.92 118.68 122.81 1kru s LEU 103 Ca 0.22 -0.59 -0.00 0.00 0.69 0.00 0.00 54.13 54.45 1kru s LEU 103 Cb -0.15 -1.54 0.02 0.00 -0.43 0.00 0.00 46.19 44.09 1kru s LEU 103 CO 0.10 0.00 -0.13 -0.63 -0.29 0.00 0.00 176.35 175.41 1kru s ILE 104 N 1.30 2.51 0.94 6.68 1.01 0.10 -1.23 121.20 132.51 1kru s ILE 104 Ca 0.04 -0.96 -0.12 0.00 0.00 0.00 0.00 60.65 59.62 1kru s ILE 104 Cb -0.13 -2.17 0.16 0.00 0.01 0.00 0.00 42.46 40.32 1kru s ILE 104 CO -0.10 0.37 1.09 0.00 0.00 0.00 0.00 174.94 176.30 1kru s ALA 105 N 1.31 1.26 0.65 9.38 0.00 -0.63 -0.65 121.76 133.08 1kru s ALA 105 Ca 0.02 -0.16 -0.18 0.00 0.00 0.00 0.00 51.96 51.65 1kru s ALA 105 Cb -0.15 -3.17 -0.01 0.00 0.00 0.00 0.00 23.12 19.79 1kru s ALA 105 CO -0.08 -2.59 1.27 -2.14 0.00 0.00 0.00 175.76 172.22 1kru s PRO 106 N -4.92 2.53 -1.06 0.00 0.02 -1.26 -4.14 135.00 126.16 1kru s PRO 106 Ca 0.64 2.00 -0.10 0.00 0.02 0.00 0.00 61.00 63.56 1kru s PRO 106 Cb -0.19 -1.85 -0.05 0.00 0.02 0.00 0.00 34.50 32.44 1kru s PRO 106 CO 0.57 -1.60 0.87 0.09 -0.33 0.00 0.00 177.00 176.60 1kru n ASN 107 N -1.99 -6.28 -4.52 2.53 3.02 0.12 -2.67 115.26 105.46 1kru n ASN 107 Ca 0.15 -0.78 -0.32 0.00 -0.03 0.00 0.00 54.58 53.60 1kru n ASN 107 Cb 0.49 -4.61 -0.12 0.00 -0.61 0.00 0.00 39.78 34.92 1kru n ASN 107 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1kru s VAL 108 N -3.39 3.21 -0.11 2.41 1.01 -1.24 -1.50 120.40 120.79 1kru s VAL 108 Ca 0.44 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.50 1kru s VAL 108 Cb -0.09 -2.37 0.01 0.00 0.00 0.00 0.00 36.38 33.94 1kru s VAL 108 CO 0.78 0.39 -0.16 -0.89 0.00 0.00 0.00 175.10 175.22 1kru s THR 109 N -0.94 1.52 -0.10 3.92 2.01 -0.57 -0.98 115.64 120.50 1kru s THR 109 Ca 0.15 -0.66 0.04 0.00 0.31 0.00 0.00 61.69 61.53 1kru s THR 109 Cb -0.11 -1.38 -0.00 0.00 0.01 0.00 0.00 72.50 71.02 1kru s THR 109 CO 0.06 0.44 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.45 1kru s LEU 110 N 0.91 2.18 -0.14 4.42 1.02 0.36 -0.28 118.68 127.15 1kru s LEU 110 Ca -0.08 -0.52 -0.04 0.00 0.02 0.00 0.00 54.13 53.51 1kru s LEU 110 Cb -0.15 -1.44 0.07 0.00 0.02 0.00 0.00 46.19 44.69 1kru s LEU 110 CO -0.00 0.17 0.17 -0.55 0.02 0.00 0.00 176.35 176.16 1kru s SER 111 N 0.27 1.21 0.32 2.29 0.15 -0.45 -0.42 113.70 117.06 1kru s SER 111 Ca -0.16 -0.00 0.17 0.00 0.70 0.00 0.00 55.95 56.66 1kru s SER 111 Cb -0.17 0.24 0.23 0.00 -1.71 0.00 0.00 66.02 64.60 1kru s SER 111 CO 0.08 -0.29 1.52 -0.37 1.20 0.00 0.00 173.24 175.38 1kru h VAL 112 N 6.35 0.74 -3.25 4.45 -1.51 -1.70 -0.30 116.25 121.03 1kru h VAL 112 Ca -0.15 -1.93 -0.57 0.00 -1.23 0.00 0.00 66.70 62.82 1kru h VAL 112 Cb 1.13 2.28 -0.04 0.00 -2.13 0.00 0.00 31.29 32.54 1kru h VAL 112 CO 0.21 0.41 -0.19 -0.89 -1.23 0.00 0.00 177.57 175.88 1kru s THR 113 N -3.10 5.02 0.29 7.19 2.01 -1.26 -1.12 115.64 124.67 1kru s THR 113 Ca 0.04 0.46 -0.12 0.00 0.31 0.00 0.00 61.69 62.37 1kru s THR 113 Cb 0.08 -3.65 0.01 0.00 0.01 0.00 0.00 72.50 68.95 1kru s THR 113 CO 0.72 0.14 0.56 -0.83 -0.69 0.00 0.00 174.62 174.51 1kru s GLY 114 N -2.04 0.62 0.13 4.40 0.00 -0.77 -4.75 107.32 104.92 1kru s GLY 114 Ca 0.39 -0.92 0.09 0.00 0.00 0.00 0.00 44.72 44.29 1kru s GLY 114 CO 0.20 -0.58 -0.22 0.30 0.00 0.00 0.00 173.10 172.79 1kru s HIS 115 N -3.55 2.00 0.28 1.90 3.76 -1.26 -1.74 115.29 116.68 1kru s HIS 115 Ca 0.22 -0.41 -0.30 0.00 -0.15 0.00 0.00 55.06 54.42 1kru s HIS 115 Cb -0.02 -1.06 -0.11 0.00 1.11 0.00 0.00 32.58 32.50 1kru s HIS 115 CO 0.11 0.30 1.54 -2.14 -0.85 0.00 0.00 174.74 173.71 1kru s PRO 116 N -2.21 4.17 0.34 8.40 0.02 -1.26 -4.89 135.00 139.56 1kru s PRO 116 Ca 0.12 2.48 0.02 0.00 0.02 0.00 0.00 61.00 63.65 1kru s PRO 116 Cb -0.09 -3.05 0.59 0.00 0.02 0.00 0.00 34.50 31.97 1kru s PRO 116 CO 0.06 -0.56 1.94 0.28 -0.33 0.00 0.00 177.00 178.39 1kru h VAL 117 N 3.43 1.18 -2.88 3.83 2.07 -1.99 -3.42 116.25 118.48 1kru h VAL 117 Ca -0.47 -0.51 -0.55 0.00 0.82 0.00 0.00 66.70 65.99 1kru h VAL 117 Cb 1.22 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 1kru h VAL 117 CO 0.78 0.21 0.88 -2.28 0.02 0.00 0.00 177.57 177.19 1kru s HIS 118 N -5.43 2.74 0.64 1.57 5.65 -1.26 -4.89 115.29 114.31 1kru s HIS 118 Ca -0.09 0.82 0.40 0.00 0.25 0.00 0.00 55.06 56.44 1kru s HIS 118 Cb 0.17 -3.62 2.25 0.00 -1.18 0.00 0.00 32.58 30.19 1kru s HIS 118 CO 0.77 -2.30 2.34 1.12 -0.65 0.00 0.00 174.74 176.02 1kru h HIS 119 N 8.20 0.00 0.00 3.88 -0.00 -1.98 -0.99 115.15 124.26 1kru h HIS 119 Ca -0.34 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.03 1kru h HIS 119 Cb 1.15 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.56 1kru h HIS 119 CO 0.79 0.00 0.00 1.49 -0.00 0.00 0.00 177.93 180.21 1kru h GLU 120 N 0.00 0.00 -0.01 5.12 4.81 -1.94 -3.19 114.58 119.37 1kru h GLU 120 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1kru h GLU 120 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1kru h GLU 120 CO 0.00 0.00 -0.22 1.28 -0.73 0.00 0.00 179.01 179.35 1kru n LEU 121 N -2.50 1.57 -0.89 1.64 4.32 -0.37 -4.14 117.00 116.63 1kru n LEU 121 Ca 0.05 -0.51 0.04 0.00 -0.02 0.00 0.00 56.01 55.57 1kru n LEU 121 Cb 0.43 -0.05 0.07 0.00 -1.62 0.00 0.00 43.42 42.25 1kru n LEU 121 CO 0.30 0.28 0.23 -2.11 -1.22 0.00 0.00 177.39 174.87 1kru n ARG 122 N -0.10 0.50 -0.22 3.23 1.85 -1.21 -4.49 116.66 116.22 1kru n ARG 122 Ca 0.13 -2.11 0.18 0.00 -1.00 0.00 0.00 57.85 55.06 1kru n ARG 122 Cb 0.40 -0.65 0.51 0.00 -1.05 0.00 0.00 32.46 31.67 1kru n ARG 122 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 1kru h LYS 123 N 0.63 0.40 -0.92 2.89 1.57 -1.71 -2.11 116.57 117.32 1kru h LYS 123 Ca -0.10 -0.02 -0.59 0.00 -1.87 0.00 0.00 60.65 58.07 1kru h LYS 123 Cb 1.48 -0.09 -0.39 0.00 0.08 0.00 0.00 32.23 33.31 1kru h LYS 123 CO 0.04 0.27 -0.33 0.09 -0.57 0.00 0.00 179.45 178.95 1kru n ASN 124 N -4.50 5.69 -3.55 0.86 4.13 -1.26 -4.92 115.26 111.72 1kru n ASN 124 Ca 0.18 -3.76 -0.23 0.00 1.68 0.00 0.00 54.58 52.45 1kru n ASN 124 Cb 0.65 -0.53 0.08 0.00 -1.54 0.00 0.00 39.78 38.43 1kru n ASN 124 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1kru n GLY 125 N -0.74 -0.51 3.78 7.41 0.00 -0.79 -4.92 105.19 109.41 1kru n GLY 125 Ca 0.49 0.23 -0.36 0.00 0.00 0.00 0.00 46.02 46.38 1kru n GLY 125 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1kru s GLU 126 N -6.20 3.70 0.24 1.61 8.01 -1.26 -4.70 118.70 120.10 1kru s GLU 126 Ca 0.52 1.67 -0.11 0.00 0.01 0.00 0.00 54.97 57.06 1kru s GLU 126 Cb -0.23 -2.28 -0.01 0.00 -4.31 0.00 0.00 34.13 27.30 1kru s GLU 126 CO 0.72 -0.58 0.42 0.00 0.01 0.00 0.00 175.26 175.84 1kru s MET 127 N -2.88 1.48 0.07 1.61 0.23 -0.40 -4.48 119.30 114.94 1kru s MET 127 Ca 0.66 -1.30 0.04 0.00 -1.03 0.00 0.00 55.69 54.06 1kru s MET 127 Cb -0.25 0.44 -0.03 0.00 -1.53 0.00 0.00 34.83 33.45 1kru s MET 127 CO 0.30 -0.60 -0.11 1.52 -2.03 0.00 0.00 175.02 174.10 1kru s TYR 128 N -4.03 1.05 -0.06 3.16 -0.85 -0.71 -1.16 117.35 114.75 1kru s TYR 128 Ca 0.24 -0.53 0.01 0.00 -0.52 0.00 0.00 57.07 56.27 1kru s TYR 128 Cb 0.01 -0.59 0.02 0.00 0.38 0.00 0.00 41.96 41.78 1kru s TYR 128 CO 0.09 0.01 -0.05 -1.12 -1.52 0.00 0.00 175.55 172.96 1kru s SER 129 N -1.95 1.34 -0.15 -0.18 0.01 -1.26 -1.85 113.70 109.65 1kru s SER 129 Ca -0.01 -0.17 -0.01 0.00 1.31 0.00 0.00 55.95 57.07 1kru s SER 129 Cb -0.08 -0.56 0.04 0.00 0.21 0.00 0.00 66.02 65.64 1kru s SER 129 CO 0.01 -0.07 -0.05 -0.36 0.41 0.00 0.00 173.24 173.18 1kru s PHE 130 N 1.15 1.55 0.23 2.43 0.40 -0.28 -4.67 117.98 118.78 1kru s PHE 130 Ca -0.07 -0.94 -0.28 0.00 -0.60 0.00 0.00 56.93 55.04 1kru s PHE 130 Cb -0.14 -1.25 -0.16 0.00 0.51 0.00 0.00 43.02 41.98 1kru s PHE 130 CO -0.01 -0.58 0.65 -2.30 0.70 0.00 0.00 175.22 173.68 1kru n PRO 131 N 4.92 0.36 -4.75 0.24 -0.02 -1.26 -0.63 135.00 133.86 1kru n PRO 131 Ca -0.11 0.13 -0.33 0.00 -2.02 0.00 0.00 63.50 61.16 1kru n PRO 131 Cb 0.48 -1.22 -0.13 0.00 -0.02 0.00 0.00 33.50 32.61 1kru n PRO 131 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1kru s ILE 132 N -1.02 3.30 -0.16 4.25 1.01 -1.16 -3.34 121.20 124.08 1kru s ILE 132 Ca 0.63 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 60.67 1kru s ILE 132 Cb -0.87 -2.35 0.02 0.00 0.01 0.00 0.00 42.46 39.28 1kru s ILE 132 CO 0.57 0.57 -0.17 -0.89 0.00 0.00 0.00 174.94 175.02 1kru s THR 133 N -0.38 1.79 -0.26 2.92 2.01 -1.00 -0.95 115.64 119.77 1kru s THR 133 Ca 0.05 -0.77 -0.04 0.00 0.31 0.00 0.00 61.69 61.23 1kru s THR 133 Cb -0.12 -1.64 0.02 0.00 0.01 0.00 0.00 72.50 70.76 1kru s THR 133 CO 0.02 0.50 -0.00 -0.63 -0.69 0.00 0.00 174.62 173.81 1kru s ILE 134 N 1.34 3.35 1.17 1.82 1.01 0.16 -0.76 121.20 129.28 1kru s ILE 134 Ca 0.04 -0.85 -0.19 0.00 0.00 0.00 0.00 60.65 59.65 1kru s ILE 134 Cb -0.13 -2.70 0.30 0.00 0.01 0.00 0.00 42.46 39.94 1kru s ILE 134 CO -0.11 0.17 0.68 0.61 0.00 0.00 0.00 174.94 176.30 1kru n GLY 135 N 4.76 -3.93 3.84 6.18 0.00 -0.12 -0.31 105.19 115.60 1kru n GLY 135 Ca -0.16 -1.28 -0.31 0.00 0.00 0.00 0.00 46.02 44.27 1kru n GLY 135 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1kru s ASN 136 N -2.87 5.88 -1.50 1.61 0.01 -1.26 -3.76 114.94 113.04 1kru s ASN 136 Ca 0.53 1.55 -0.03 0.00 -0.71 0.00 0.00 52.86 54.20 1kru s ASN 136 Cb -0.09 -2.49 0.03 0.00 0.41 0.00 0.00 41.25 39.10 1kru s ASN 136 CO 0.44 -1.11 0.32 0.59 -1.51 0.00 0.00 177.10 175.84 1kru n ASN 137 N -2.74 -0.26 -4.68 -1.22 4.13 0.20 -1.06 115.26 109.63 1kru n ASN 137 Ca 0.07 -1.11 -0.35 0.00 1.68 0.00 0.00 54.58 54.87 1kru n ASN 137 Cb 0.54 -2.49 -0.09 0.00 -1.54 0.00 0.00 39.78 36.19 1kru n ASN 137 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1kru s VAL 138 N -4.01 4.51 -0.27 2.41 1.01 -1.24 -3.26 120.40 119.56 1kru s VAL 138 Ca 0.11 -0.16 0.01 0.00 0.00 0.00 0.00 61.98 61.94 1kru s VAL 138 Cb -0.06 -2.93 0.06 0.00 0.00 0.00 0.00 36.38 33.44 1kru s VAL 138 CO 0.93 0.58 -0.08 0.86 0.00 0.00 0.00 175.10 177.39 1kru s TRP 139 N -0.60 3.25 -0.22 5.22 -0.00 -1.05 -0.58 118.94 124.96 1kru s TRP 139 Ca 0.10 -2.16 -0.13 0.00 -0.00 0.00 0.00 56.10 53.91 1kru s TRP 139 Cb -0.12 -1.98 -0.05 0.00 -0.00 0.00 0.00 33.47 31.32 1kru s TRP 139 CO 0.02 -0.85 0.25 0.42 -0.00 0.00 0.00 176.95 176.79 1kru s ILE 140 N 1.15 5.30 1.13 5.86 1.01 -0.36 -1.11 121.20 134.18 1kru s ILE 140 Ca -0.07 0.39 -0.19 0.00 0.00 0.00 0.00 60.65 60.78 1kru s ILE 140 Cb -0.20 -3.59 0.27 0.00 0.01 0.00 0.00 42.46 38.95 1kru s ILE 140 CO -0.04 0.31 1.20 -0.83 0.00 0.00 0.00 174.94 175.58 1kru s GLY 141 N 1.02 1.67 0.50 6.18 0.00 0.11 -1.61 107.32 115.20 1kru s GLY 141 Ca 0.12 -1.12 -0.22 0.00 0.00 0.00 0.00 44.72 43.51 1kru s GLY 141 CO 0.06 -0.24 1.21 -0.56 0.00 0.00 0.00 173.10 173.56 1kru s SER 142 N -4.33 5.82 -1.56 1.64 0.01 -1.26 -3.57 113.70 110.45 1kru s SER 142 Ca 0.73 2.40 0.00 0.00 1.31 0.00 0.00 55.95 60.39 1kru s SER 142 Cb -0.06 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.56 1kru s SER 142 CO 0.55 -1.16 0.00 1.41 0.41 0.00 0.00 173.24 174.44 1kru n HIS 143 N -0.81 -0.83 -2.51 2.43 8.25 -0.57 0.13 115.22 121.32 1kru n HIS 143 Ca 0.09 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.24 1kru n HIS 143 Cb 0.48 -3.24 -0.03 0.00 1.12 0.00 0.00 29.99 28.32 1kru n HIS 143 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1kru s VAL 144 N -2.68 4.61 -0.07 1.59 1.01 -1.23 -3.91 120.40 119.72 1kru s VAL 144 Ca 0.00 1.04 0.02 0.00 0.00 0.00 0.00 61.98 63.04 1kru s VAL 144 Cb 0.00 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.67 1kru s VAL 144 CO 0.00 -0.66 -0.11 -0.69 0.00 0.00 0.00 175.10 173.64 1kru s VAL 145 N -2.57 1.08 -0.22 2.92 1.01 -0.46 -1.52 120.40 120.64 1kru s VAL 145 Ca 0.57 -0.43 -0.03 0.00 0.00 0.00 0.00 61.98 62.09 1kru s VAL 145 Cb -0.10 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.28 1kru s VAL 145 CO 0.32 0.35 -0.07 -0.63 0.00 0.00 0.00 175.10 175.06 1kru s ILE 146 N 0.78 3.06 0.72 2.22 1.01 0.61 -0.84 121.20 128.77 1kru s ILE 146 Ca -0.13 -0.65 -0.07 0.00 0.00 0.00 0.00 60.65 59.80 1kru s ILE 146 Cb -0.15 -2.40 0.07 0.00 0.01 0.00 0.00 42.46 39.99 1kru s ILE 146 CO 0.02 0.41 1.04 0.20 0.00 0.00 0.00 174.94 176.61 1kru s ASN 147 N 1.42 4.66 0.53 3.58 0.02 -0.51 -1.35 114.94 123.30 1kru s ASN 147 Ca 0.05 0.40 -0.20 0.00 -1.02 0.00 0.00 52.86 52.09 1kru s ASN 147 Cb -0.14 -0.99 -0.08 0.00 0.02 0.00 0.00 41.25 40.06 1kru s ASN 147 CO -0.05 -1.70 0.77 -2.65 0.02 0.00 0.00 177.10 173.49 1kru n PRO 148 N -2.98 0.81 -0.37 -0.60 -0.02 -0.12 -3.04 135.00 128.68 1kru n PRO 148 Ca 0.09 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 1kru n PRO 148 Cb 0.60 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 1kru n PRO 148 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1kru n GLY 149 N 1.50 0.43 3.76 -1.23 0.00 0.20 -4.96 105.19 104.89 1kru n GLY 149 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 1kru n GLY 149 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kru s VAL 150 N -1.61 2.56 -0.10 1.61 1.01 -1.17 -4.86 120.40 117.84 1kru s VAL 150 Ca 0.00 0.39 -0.01 0.00 0.00 0.00 0.00 61.98 62.37 1kru s VAL 150 Cb 0.00 -3.18 0.03 0.00 0.00 0.00 0.00 36.38 33.22 1kru s VAL 150 CO 0.00 -0.03 -0.05 -0.89 0.00 0.00 0.00 175.10 174.13 1kru s THR 151 N -1.48 0.80 -0.22 3.92 2.01 -1.26 -2.36 115.64 117.05 1kru s THR 151 Ca 0.72 -0.15 -0.10 0.00 0.31 0.00 0.00 61.69 62.47 1kru s THR 151 Cb -0.33 -0.86 -0.05 0.00 0.01 0.00 0.00 72.50 71.27 1kru s THR 151 CO 0.39 0.33 0.13 -0.63 -0.69 0.00 0.00 174.62 174.15 1kru s ILE 152 N 1.74 5.25 0.65 1.82 -1.09 0.06 -1.05 121.20 128.58 1kru s ILE 152 Ca 0.04 0.14 -0.11 0.00 -2.23 0.00 0.00 60.65 58.49 1kru s ILE 152 Cb -0.13 -3.42 -0.02 0.00 -1.58 0.00 0.00 42.46 37.31 1kru s ILE 152 CO -0.07 0.39 1.04 -0.83 -1.23 0.00 0.00 174.94 174.25 1kru s GLY 153 N 0.77 1.66 0.51 6.18 0.00 0.01 -0.95 107.32 115.50 1kru s GLY 153 Ca 0.07 -0.03 -0.21 0.00 0.00 0.00 0.00 44.72 44.54 1kru s GLY 153 CO 0.02 0.25 0.96 1.22 0.00 0.00 0.00 173.10 175.55 1kru n ASP 154 N -2.89 0.91 0.00 1.64 10.43 -1.26 -2.73 116.55 122.64 1kru n ASP 154 Ca 0.07 0.91 0.00 0.00 2.57 0.00 0.00 54.79 58.34 1kru n ASP 154 Cb 0.54 -1.36 0.00 0.00 1.84 0.00 0.00 41.12 42.14 1kru n ASP 154 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1kru n ASN 155 N -0.03 -2.06 -4.84 -2.24 5.03 -0.22 -0.94 115.26 109.96 1kru n ASN 155 Ca 0.11 0.00 -0.32 0.00 0.87 0.00 0.00 54.58 55.24 1kru n ASN 155 Cb 0.43 -2.50 -0.02 0.00 -1.02 0.00 0.00 39.78 36.68 1kru n ASN 155 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 1kru s SER 156 N -2.09 6.36 -0.12 6.41 0.01 -1.11 -4.44 113.70 118.74 1kru s SER 156 Ca 0.00 1.60 0.03 0.00 1.31 0.00 0.00 55.95 58.88 1kru s SER 156 Cb 0.00 -2.51 0.01 0.00 0.21 0.00 0.00 66.02 63.73 1kru s SER 156 CO 0.00 -0.77 -0.20 -0.69 0.41 0.00 0.00 173.24 171.99 1kru s VAL 157 N -2.69 1.84 -0.29 3.43 1.01 0.15 -2.54 120.40 121.31 1kru s VAL 157 Ca 0.59 -0.86 -0.10 0.00 0.00 0.00 0.00 61.98 61.61 1kru s VAL 157 Cb -0.11 -1.63 -0.02 0.00 0.00 0.00 0.00 36.38 34.61 1kru s VAL 157 CO 0.37 0.51 0.15 -0.63 0.00 0.00 0.00 175.10 175.49 1kru s ILE 158 N 0.73 4.74 0.69 2.22 -1.09 -0.27 -0.87 121.20 127.35 1kru s ILE 158 Ca -0.10 -0.24 -0.16 0.00 -2.23 0.00 0.00 60.65 57.92 1kru s ILE 158 Cb -0.16 -3.35 0.02 0.00 -1.58 0.00 0.00 42.46 37.39 1kru s ILE 158 CO 0.01 0.15 1.19 -0.83 -1.23 0.00 0.00 174.94 174.24 1kru s GLY 159 N 1.65 2.39 0.37 6.18 0.00 0.32 0.10 107.32 118.33 1kru s GLY 159 Ca 0.06 0.85 -0.28 0.00 0.00 0.00 0.00 44.72 45.35 1kru s GLY 159 CO 0.07 1.25 1.47 0.00 0.00 0.00 0.00 173.10 175.89 1kru n ALA 160 N -2.47 2.26 -0.62 3.20 0.00 -1.26 -2.65 120.51 118.96 1kru n ALA 160 Ca 0.13 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1kru n ALA 160 Cb 0.50 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.55 1kru n ALA 160 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kru n GLY 161 N 0.53 1.69 3.79 0.00 0.00 0.35 -4.84 105.19 106.70 1kru n GLY 161 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1kru n GLY 161 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1kru s SER 162 N -3.33 5.37 -0.27 1.61 1.04 -1.09 -4.78 113.70 112.26 1kru s SER 162 Ca 0.00 1.91 -0.01 0.00 0.48 0.00 0.00 55.95 58.33 1kru s SER 162 Cb 0.00 -2.54 0.04 0.00 0.10 0.00 0.00 66.02 63.62 1kru s SER 162 CO 0.00 -1.45 -0.04 -0.63 0.98 0.00 0.00 173.24 172.10 1kru s ILE 163 N -2.42 2.80 -0.32 -1.02 -1.09 -0.95 -1.35 121.20 116.85 1kru s ILE 163 Ca 0.65 -1.29 -0.16 0.00 -2.23 0.00 0.00 60.65 57.62 1kru s ILE 163 Cb -0.18 -2.55 -0.02 0.00 -1.58 0.00 0.00 42.46 38.13 1kru s ILE 163 CO 0.40 0.02 0.42 -0.69 -1.23 0.00 0.00 174.94 173.86 1kru s VAL 164 N 1.25 5.12 -0.06 2.92 1.01 -0.02 -0.64 120.40 129.99 1kru s VAL 164 Ca -0.04 0.30 0.02 0.00 0.00 0.00 0.00 61.98 62.26 1kru s VAL 164 Cb -0.19 -3.84 -0.02 0.00 0.00 0.00 0.00 36.38 32.33 1kru s VAL 164 CO -0.03 -0.06 0.07 0.35 0.00 0.00 0.00 175.10 175.42 1kru n THR 165 N 5.27 0.00 -4.15 3.92 -2.24 -1.26 -1.43 114.28 114.39 1kru n THR 165 Ca -0.07 -0.33 -0.17 0.00 -2.27 0.00 0.00 64.05 61.20 1kru n THR 165 Cb 0.50 0.84 -0.12 0.00 -2.10 0.00 0.00 70.33 69.45 1kru n THR 165 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1kru s LYS 166 N -1.46 0.74 0.50 -0.78 1.02 -1.26 -4.86 119.74 113.64 1kru s LYS 166 Ca 0.00 -0.88 -0.20 0.00 0.02 0.00 0.00 55.97 54.91 1kru s LYS 166 Cb 0.01 -0.67 -0.11 0.00 -0.52 0.00 0.00 37.83 36.54 1kru s LYS 166 CO 0.08 0.15 0.52 -0.25 -0.92 0.00 0.00 175.35 174.92 1kru n ASP 167 N 1.37 -1.03 -4.23 2.83 9.92 -1.26 -4.79 116.55 119.36 1kru n ASP 167 Ca -0.21 0.81 -0.33 0.00 -0.53 0.00 0.00 54.79 54.52 1kru n ASP 167 Cb 0.54 -1.14 -0.15 0.00 -0.64 0.00 0.00 41.12 39.73 1kru n ASP 167 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1kru s ILE 168 N -1.62 2.56 0.87 0.53 -1.09 -0.22 -4.95 121.20 117.28 1kru s ILE 168 Ca 0.66 -0.80 -0.11 0.00 -2.23 0.00 0.00 60.65 58.17 1kru s ILE 168 Cb -0.51 -2.08 0.11 0.00 -1.58 0.00 0.00 42.46 38.40 1kru s ILE 168 CO 0.57 0.51 1.11 -2.16 -1.23 0.00 0.00 174.94 173.74 1kru s PRO 169 N 0.96 1.47 0.88 2.79 0.04 -1.26 -0.81 135.00 139.06 1kru s PRO 169 Ca -0.03 1.24 -0.12 0.00 0.04 0.00 0.00 61.00 62.14 1kru s PRO 169 Cb -0.15 -1.80 0.12 0.00 0.04 0.00 0.00 34.50 32.71 1kru s PRO 169 CO -0.03 -2.22 1.11 -1.25 0.04 0.00 0.00 177.00 174.65 1kru s PRO 170 N -4.79 1.42 -1.62 0.56 0.04 -1.26 -4.16 135.00 125.19 1kru s PRO 170 Ca 0.64 0.54 -0.02 0.00 0.04 0.00 0.00 61.00 62.20 1kru s PRO 170 Cb -0.20 -1.85 0.01 0.00 0.04 0.00 0.00 34.50 32.50 1kru s PRO 170 CO 0.57 -2.06 0.25 0.09 0.04 0.00 0.00 177.00 175.90 1kru n ASN 171 N -3.71 -5.74 -4.31 6.66 4.13 -0.11 -4.90 115.26 107.27 1kru n ASN 171 Ca 0.07 -0.12 -0.17 0.00 1.68 0.00 0.00 54.58 56.04 1kru n ASN 171 Cb 0.57 -4.73 -0.10 0.00 -1.54 0.00 0.00 39.78 33.98 1kru n ASN 171 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 1kru s VAL 172 N -3.06 1.32 -0.22 2.41 -7.23 -1.26 -1.14 120.40 111.24 1kru s VAL 172 Ca 0.13 -2.10 -0.06 0.00 -1.81 0.00 0.00 61.98 58.14 1kru s VAL 172 Cb -0.06 -2.09 -0.03 0.00 0.56 0.00 0.00 36.38 34.76 1kru s VAL 172 CO 0.16 -0.55 0.04 -0.69 -0.31 0.00 0.00 175.10 173.75 1kru s VAL 173 N -3.23 4.20 0.10 1.32 1.01 -0.13 -0.68 120.40 123.00 1kru s VAL 173 Ca 0.22 -0.22 0.07 0.00 0.00 0.00 0.00 61.98 62.05 1kru s VAL 173 Cb 0.03 -2.93 -0.03 0.00 0.00 0.00 0.00 36.38 33.44 1kru s VAL 173 CO 0.05 0.39 -0.17 0.00 0.00 0.00 0.00 175.10 175.38 1kru s ALA 174 N 1.18 1.56 0.16 5.51 0.00 -0.05 -1.12 121.76 129.00 1kru s ALA 174 Ca 0.04 -1.20 -0.23 0.00 0.00 0.00 0.00 51.96 50.56 1kru s ALA 174 Cb -0.14 -0.15 0.08 0.00 0.00 0.00 0.00 23.12 22.90 1kru s ALA 174 CO 0.02 0.23 1.04 0.00 0.00 0.00 0.00 175.76 177.06 1kru s ALA 175 N -1.50 -1.66 0.00 0.00 0.00 -0.69 -0.52 121.76 117.39 1kru s ALA 175 Ca 0.05 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 51.81 1kru s ALA 175 Cb -0.08 0.73 0.00 0.00 0.00 0.00 0.00 23.12 23.76 1kru s ALA 175 CO 0.04 -1.06 0.00 0.41 0.00 0.00 0.00 175.76 175.14 1kru n GLY 176 N -0.66 0.97 2.73 0.00 0.00 -1.26 -1.02 105.19 105.96 1kru n GLY 176 Ca -0.03 -2.11 -0.30 0.00 0.00 0.00 0.00 46.02 43.58 1kru n GLY 176 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kru s VAL 177 N -1.42 1.22 0.65 1.61 1.01 -1.26 -2.17 120.40 120.04 1kru s VAL 177 Ca 0.00 -2.07 -0.09 0.00 0.00 0.00 0.00 61.98 59.81 1kru s VAL 177 Cb 0.00 -1.88 0.01 0.00 0.00 0.00 0.00 36.38 34.50 1kru s VAL 177 CO 0.00 -0.80 1.01 -2.16 0.00 0.00 0.00 175.10 173.15 1kru s PRO 178 N 0.89 2.98 0.36 2.72 0.04 -1.26 -5.04 135.00 135.69 1kru s PRO 178 Ca 0.14 0.31 -0.28 0.00 0.04 0.00 0.00 61.00 61.21 1kru s PRO 178 Cb -0.21 -2.13 -0.11 0.00 0.04 0.00 0.00 34.50 32.08 1kru s PRO 178 CO -0.10 -0.84 1.49 0.00 0.04 0.00 0.00 177.00 177.60 1kru s ARG 180 N -1.87 0.59 -0.08 0.00 1.70 -0.18 -4.86 118.95 114.24 1kru s ARG 180 Ca 0.55 -0.21 -0.30 0.00 -0.47 0.00 0.00 55.73 55.30 1kru s ARG 180 Cb -0.48 0.26 -0.05 0.00 -0.57 0.00 0.00 34.95 34.11 1kru s ARG 180 CO 0.62 -0.15 1.56 0.08 -1.08 0.00 0.00 175.30 176.33 1kru s VAL 181 N -1.24 3.74 -0.12 4.99 1.01 -1.26 -1.70 120.40 125.81 1kru s VAL 181 Ca -0.13 0.90 0.21 0.00 0.00 0.00 0.00 61.98 62.96 1kru s VAL 181 Cb -0.06 -3.58 -0.20 0.00 0.00 0.00 0.00 36.38 32.54 1kru s VAL 181 CO 0.03 -0.08 0.66 2.30 0.00 0.00 0.00 175.10 178.01 1kru n ILE 182 N 5.46 0.53 0.00 2.22 -5.35 -0.28 -4.97 119.36 116.97 1kru n ILE 182 Ca 0.16 -0.58 0.00 0.00 -0.27 0.00 0.00 62.75 62.06 1kru n ILE 182 Cb 0.43 -0.27 0.00 0.00 -1.74 0.00 0.00 39.64 38.06 1kru n ILE 182 CO 0.00 0.00 0.00 -2.11 -1.76 0.00 0.00 176.55 172.68 1kru n ARG 183 N -2.54 0.00 -3.29 6.28 1.85 -1.17 -5.03 116.66 112.77 1kru n ARG 183 Ca -0.07 0.00 -0.32 0.00 -1.00 0.00 0.00 57.85 56.46 1kru n ARG 183 Cb 0.67 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 32.03 1kru n ARG 183 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 1kru s GLU 184 N -2.00 3.88 -0.27 2.89 2.56 -1.26 -0.95 118.70 123.55 1kru s GLU 184 Ca 0.00 0.44 -0.21 0.00 0.00 0.00 0.00 54.97 55.20 1kru s GLU 184 Cb 0.00 -2.55 -0.01 0.00 2.00 0.00 0.00 34.13 33.57 1kru s GLU 184 CO 0.00 0.24 0.67 0.42 -0.56 0.00 0.00 175.26 176.03 1kru s ILE 185 N -1.90 4.94 0.00 -3.70 1.01 -0.29 -4.83 121.20 116.42 1kru s ILE 185 Ca 0.50 1.12 0.00 0.00 0.00 0.00 0.00 60.65 62.27 1kru s ILE 185 Cb -0.11 -3.99 0.00 0.00 0.01 0.00 0.00 42.46 38.37 1kru s ILE 185 CO 0.20 -0.05 0.00 -0.46 0.00 0.00 0.00 174.94 174.63 1kru n ASN 186 N 5.83 0.54 0.15 3.58 2.04 -1.26 -4.93 115.26 121.21 1kru n ASN 186 Ca 0.00 0.00 0.13 0.00 -0.44 0.00 0.00 54.58 54.27 1kru n ASN 186 Cb 0.49 0.00 0.31 0.00 -2.53 0.00 0.00 39.78 38.05 1kru n ASN 186 CO 0.00 0.00 0.00 0.44 -0.44 0.00 0.00 177.26 177.26 1kru h ASP 187 N 0.00 0.00 0.50 0.53 3.32 -2.01 -3.09 116.42 115.67 1kru h ASP 187 Ca 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 1kru h ASP 187 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1kru h ASP 187 CO 0.00 0.00 -0.22 -0.09 -1.72 0.00 0.00 179.24 177.21 1kru h ARG 188 N 0.00 0.00 -0.02 3.56 1.12 -1.95 -0.96 114.38 116.12 1kru h ARG 188 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1kru h ARG 188 Cb 0.84 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.80 1kru h ARG 188 CO 0.00 0.22 0.00 -0.25 -3.11 0.00 0.00 179.97 176.83 1kru n ASP 189 N -3.72 0.52 0.03 -3.80 8.00 -1.17 -1.11 116.55 115.30 1kru n ASP 189 Ca -0.01 -1.27 0.11 0.00 0.71 0.00 0.00 54.79 54.33 1kru n ASP 189 Cb 0.34 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 1kru n ASP 189 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1kru n LYS 190 N -0.55 0.32 -0.06 -1.24 5.02 -0.37 -4.49 118.16 116.79 1kru n LYS 190 Ca 0.20 -0.01 -0.11 0.00 -2.02 0.00 0.00 58.31 56.37 1kru n LYS 190 Cb 0.18 -1.59 -0.04 0.00 -0.02 0.00 0.00 35.03 33.55 1kru n LYS 190 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1kru n HIS 191 N -2.00 0.00 -3.39 2.13 8.25 -1.05 -4.92 115.22 114.24 1kru n HIS 191 Ca 0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.06 1kru n HIS 191 Cb 0.45 -0.41 -0.09 0.00 1.12 0.00 0.00 29.99 31.05 1kru n HIS 191 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1kru s TYR 192 N -2.21 3.21 -0.10 4.41 1.51 -0.27 -0.61 117.35 123.29 1kru s TYR 192 Ca -0.16 -0.08 0.07 0.00 -1.01 0.00 0.00 57.07 55.89 1kru s TYR 192 Cb 0.06 -2.70 -0.24 0.00 -0.11 0.00 0.00 41.96 38.97 1kru s TYR 192 CO 0.21 -0.47 0.45 2.48 -1.11 0.00 0.00 175.55 177.11 1kru n TYR 193 N 5.40 0.90 -3.75 2.71 0.18 -1.18 -4.44 117.16 117.00 1kru n TYR 193 Ca -0.09 0.27 -0.12 0.00 1.88 0.00 0.00 57.90 59.84 1kru n TYR 193 Cb 0.49 -1.15 -0.13 0.00 -0.38 0.00 0.00 39.34 38.18 1kru n TYR 193 CO 0.00 0.00 0.00 0.12 -2.08 0.00 0.00 176.86 174.90 1kru s PHE 194 N -2.57 -0.30 0.00 -3.48 5.36 -1.24 -5.07 117.98 110.67 1kru s PHE 194 Ca -0.13 0.73 0.00 0.00 -0.96 0.00 0.00 56.93 56.58 1kru s PHE 194 Cb 0.07 0.06 0.00 0.00 -0.34 0.00 0.00 43.02 42.81 1kru s PHE 194 CO 0.79 -0.20 0.00 1.63 -1.46 0.00 0.00 175.22 175.99 1kru n LYS 195 N 3.86 0.00 -0.71 10.12 5.02 -1.26 -0.04 118.16 135.14 1kru n LYS 195 Ca -0.22 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.15 1kru n LYS 195 Cb 0.55 0.00 0.34 0.00 -0.02 0.00 0.00 35.03 35.90 1kru n LYS 195 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1kru n ASP 196 N 2.64 4.96 -4.52 4.39 5.68 -1.26 -4.93 116.55 123.51 1kru n ASP 196 Ca 0.00 -2.98 -0.37 0.00 -0.50 0.00 0.00 54.79 50.94 1kru n ASP 196 Cb 0.00 -0.63 -0.12 0.00 -1.14 0.00 0.00 41.12 39.23 1kru n ASP 196 CO 0.00 0.00 0.00 -0.31 -1.33 0.00 0.00 177.20 175.56 1kru s TYR 197 N -2.81 3.15 0.16 2.11 1.51 0.94 -5.09 117.35 117.32 1kru s TYR 197 Ca 0.50 -0.17 -0.01 0.00 -1.01 0.00 0.00 57.07 56.38 1kru s TYR 197 Cb 0.39 -2.29 -0.04 0.00 -0.11 0.00 0.00 41.96 39.91 1kru s TYR 197 CO 0.13 -0.25 0.34 -1.59 -1.11 0.00 0.00 175.55 173.07 1kru s LYS 198 N 1.61 3.51 -1.22 -0.62 0.00 -1.26 -3.09 119.74 118.67 1kru s LYS 198 Ca 0.06 -0.37 -0.14 0.00 0.00 0.00 0.00 55.97 55.53 1kru s LYS 198 Cb -0.15 -2.89 0.16 0.00 0.00 0.00 0.00 37.83 34.94 1kru s LYS 198 CO 0.06 0.47 1.48 1.55 0.00 0.00 0.00 175.35 178.91 1kru n VAL 199 N -0.38 4.22 -0.31 1.79 3.14 0.22 -4.87 118.33 122.14 1kru n VAL 199 Ca -0.05 -4.65 -0.13 0.00 -2.96 0.00 0.00 64.34 56.55 1kru n VAL 199 Cb 0.53 -2.45 -0.03 0.00 -1.06 0.00 0.00 33.84 30.83 1kru n VAL 199 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1kru n GLU 200 N 5.98 0.00 -1.42 1.45 1.02 -1.26 -4.79 120.64 121.61 1kru n GLU 200 Ca 0.38 -0.52 -0.47 0.00 -0.02 0.00 0.00 57.16 56.53 1kru n GLU 200 Cb 0.43 -1.90 -0.03 0.00 -0.02 0.00 0.00 31.44 29.93 1kru n GLU 200 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1kru n SER 201 N 5.61 -0.96 0.00 1.62 3.41 -1.26 -5.30 113.62 116.73 1kru n SER 201 Ca 0.13 1.13 0.00 0.00 -0.26 0.00 0.00 58.87 59.87 1kru n SER 201 Cb 0.14 -0.99 0.00 0.00 -0.26 0.00 0.00 64.21 63.10 1kru n SER 201 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68