#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kru n GLY 2 N 0.00 4.16 3.62 3.03 0.00 -1.26 -4.86 105.19 109.89 2kru n GLY 2 Ca 0.00 -1.51 -0.33 0.00 0.00 0.00 0.00 46.02 44.18 2kru n GLY 2 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kru s GLU 3 N 1.75 2.75 0.80 1.61 -6.30 -1.26 -5.10 118.70 112.95 2kru s GLU 3 Ca 0.68 -0.57 -0.12 0.00 -2.50 0.00 0.00 54.97 52.47 2kru s GLU 3 Cb 0.20 -2.62 0.08 0.00 0.00 0.00 0.00 34.13 31.79 2kru s GLU 3 CO -0.06 0.65 1.13 -0.51 0.02 0.00 0.00 175.26 176.49 2kru s LEU 4 N -1.08 3.06 -0.38 2.70 1.43 -1.26 -4.95 118.68 118.19 2kru s LEU 4 Ca 0.15 2.03 -0.24 0.00 -1.03 0.00 0.00 54.13 55.04 2kru s LEU 4 Cb -0.11 -4.55 0.01 0.00 0.03 0.00 0.00 46.19 41.57 2kru s LEU 4 CO 0.04 -2.35 0.83 -0.44 0.23 0.00 0.00 176.35 174.66 2kru s SER 5 N -2.88 6.57 -0.19 2.29 0.01 -0.16 -4.92 113.70 114.42 2kru s SER 5 Ca 0.65 0.35 -0.08 0.00 1.31 0.00 0.00 55.95 58.18 2kru s SER 5 Cb -0.21 -2.42 -0.04 0.00 0.21 0.00 0.00 66.02 63.56 2kru s SER 5 CO 0.53 -0.80 0.09 0.26 0.41 0.00 0.00 173.24 173.73 2kru s TRP 6 N 3.25 3.33 0.85 2.43 0.52 -1.26 0.39 118.94 128.45 2kru s TRP 6 Ca 0.33 0.19 -0.10 0.00 0.02 0.00 0.00 56.10 56.54 2kru s TRP 6 Cb -0.13 -2.11 0.15 0.00 -1.15 0.00 0.00 33.47 30.24 2kru s TRP 6 CO 0.19 0.23 1.18 0.95 0.02 0.00 0.00 176.95 179.52 2kru s THR 7 N 0.32 2.07 0.25 2.01 -4.23 -0.82 -4.85 115.64 110.39 2kru s THR 7 Ca 0.05 -0.20 -0.03 0.00 -1.18 0.00 0.00 61.69 60.34 2kru s THR 7 Cb -0.12 -2.88 0.11 0.00 1.34 0.00 0.00 72.50 70.96 2kru s THR 7 CO -0.01 0.00 1.75 0.00 -0.54 0.00 0.00 174.62 175.82 2kru h ALA 8 N -1.16 1.08 -0.39 3.99 0.00 -1.99 -1.14 119.26 119.66 2kru h ALA 8 Ca -0.42 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.10 2kru h ALA 8 Cb 1.26 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2kru h ALA 8 CO 0.44 0.58 -0.26 0.93 0.00 0.00 0.00 179.25 180.94 2kru h GLU 9 N 0.77 0.80 -0.39 0.00 3.07 -1.94 -2.03 114.58 114.86 2kru h GLU 9 Ca 0.15 -0.34 -0.02 0.00 -0.50 0.00 0.00 59.36 58.65 2kru h GLU 9 Cb 0.45 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.32 2kru h GLU 9 CO 0.02 0.97 0.17 0.00 -1.40 0.00 0.00 179.01 178.77 2kru h ALA 10 N 1.02 0.51 -0.06 3.43 0.00 -1.67 0.51 119.26 123.00 2kru h ALA 10 Ca 0.09 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2kru h ALA 10 Cb 0.78 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2kru h ALA 10 CO 0.06 0.09 -0.13 0.93 0.00 0.00 0.00 179.25 180.20 2kru h GLU 11 N 0.49 0.09 -0.11 0.00 4.39 -1.17 0.40 114.58 118.68 2kru h GLU 11 Ca 0.13 -0.02 -0.16 0.00 0.34 0.00 0.00 59.36 59.66 2kru h GLU 11 Cb 0.15 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 28.79 2kru h GLU 11 CO -0.01 0.23 -0.55 -0.22 -1.16 0.00 0.00 179.01 177.30 2kru h LYS 12 N 0.09 0.56 -0.49 2.33 3.11 -0.55 0.24 116.57 121.86 2kru h LYS 12 Ca 0.02 -0.46 -0.02 0.00 -2.81 0.00 0.00 60.65 57.38 2kru h LYS 12 Cb 0.30 0.10 -0.02 0.00 -1.00 0.00 0.00 32.23 31.60 2kru h LYS 12 CO 0.02 1.09 0.25 0.52 -2.81 0.00 0.00 179.45 178.52 2kru h MET 13 N 0.18 0.71 0.00 1.90 2.86 0.54 -0.57 114.93 120.54 2kru h MET 13 Ca -0.04 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 2kru h MET 13 Cb 1.19 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.72 2kru h MET 13 CO 0.11 0.58 0.00 -0.11 1.06 0.00 0.00 176.91 178.55 2kru n LEU 14 N -4.63 0.18 0.13 1.22 7.94 0.14 -2.55 117.00 119.44 2kru n LEU 14 Ca 0.02 0.54 -0.01 0.00 -1.11 0.00 0.00 56.01 55.45 2kru n LEU 14 Cb 0.11 -0.50 0.22 0.00 0.53 0.00 0.00 43.42 43.77 2kru n LEU 14 CO 0.37 -0.26 0.57 1.23 -1.11 0.00 0.00 177.39 178.20 2kru h GLY 15 N 3.08 0.08 2.00 -3.96 0.00 0.73 -2.03 103.07 102.97 2kru h GLY 15 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.24 2kru h GLY 15 CO 0.00 0.08 0.00 0.50 0.00 0.00 0.00 176.54 177.12 2kru h LYS 16 N 0.06 0.00 -5.20 4.80 1.57 -1.43 -3.41 116.57 112.95 2kru h LYS 16 Ca -0.00 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.15 2kru h LYS 16 Cb 0.94 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.11 2kru h LYS 16 CO 0.07 0.00 -0.16 0.08 -0.57 0.00 0.00 179.45 178.87 2kru s VAL 17 N -3.68 5.13 0.40 0.50 1.01 -0.76 -5.05 120.40 117.95 2kru s VAL 17 Ca 0.01 0.59 -0.26 0.00 0.00 0.00 0.00 61.98 62.31 2kru s VAL 17 Cb 0.09 -3.77 -0.10 0.00 0.00 0.00 0.00 36.38 32.60 2kru s VAL 17 CO 0.49 0.07 1.29 -2.65 0.00 0.00 0.00 175.10 174.31 2kru n PRO 18 N 5.44 2.03 0.32 2.72 -0.02 -1.26 -4.67 135.00 139.56 2kru n PRO 18 Ca -0.07 0.72 0.20 0.00 -2.02 0.00 0.00 63.50 62.33 2kru n PRO 18 Cb 0.50 -2.39 1.08 0.00 -0.02 0.00 0.00 33.50 32.67 2kru n PRO 18 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2kru h PHE 19 N 2.25 0.00 -0.68 6.00 -0.00 -1.94 0.43 116.94 123.01 2kru h PHE 19 Ca -0.48 0.00 0.06 0.00 -0.00 0.00 0.00 57.97 57.56 2kru h PHE 19 Cb 1.29 0.00 -0.06 0.00 -0.00 0.00 0.00 35.95 37.18 2kru h PHE 19 CO 0.49 0.00 0.37 0.74 -0.00 0.00 0.00 178.31 179.91 2kru h PHE 20 N 0.00 0.68 -0.01 6.09 0.04 -2.02 -2.80 116.94 118.92 2kru h PHE 20 Ca 0.01 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.80 2kru h PHE 20 Cb 0.11 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 38.05 2kru h PHE 20 CO 0.00 0.32 -0.23 1.33 -0.60 0.00 0.00 178.31 179.12 2kru n VAL 21 N -4.79 0.00 -0.30 -0.55 0.24 -0.64 -4.49 118.33 107.80 2kru n VAL 21 Ca 0.09 -0.38 0.00 0.00 -2.04 0.00 0.00 64.34 62.01 2kru n VAL 21 Cb 0.19 1.18 0.19 0.00 -1.47 0.00 0.00 33.84 33.93 2kru n VAL 21 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 2kru h ARG 22 N 1.69 1.12 -0.93 7.34 2.43 -0.66 -0.29 114.38 125.08 2kru h ARG 22 Ca 0.00 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.11 2kru h ARG 22 Cb 0.48 -0.25 -0.05 0.00 -0.42 0.00 0.00 29.97 29.73 2kru h ARG 22 CO 0.00 0.74 0.62 0.87 -1.51 0.00 0.00 179.97 180.69 2kru h LYS 23 N 1.16 1.22 -0.30 0.20 1.79 -1.79 -2.01 116.57 116.85 2kru h LYS 23 Ca 0.34 -0.07 -0.09 0.00 -2.18 0.00 0.00 60.65 58.65 2kru h LYS 23 Cb -0.07 -0.28 -0.01 0.00 -1.58 0.00 0.00 32.23 30.30 2kru h LYS 23 CO -0.09 0.81 -0.15 0.87 -1.08 0.00 0.00 179.45 179.81 2kru h LYS 24 N 1.26 0.63 -0.41 3.15 1.57 -1.50 -2.81 116.57 118.47 2kru h LYS 24 Ca 0.34 -0.28 0.03 0.00 -1.87 0.00 0.00 60.65 58.88 2kru h LYS 24 Cb -0.15 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.11 2kru h LYS 24 CO -0.07 0.86 0.20 0.28 -0.57 0.00 0.00 179.45 180.14 2kru h VAL 25 N 0.38 0.96 -0.63 0.50 2.07 -0.82 0.11 116.25 118.83 2kru h VAL 25 Ca 0.07 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.45 2kru h VAL 25 Cb 0.68 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 2kru h VAL 25 CO 0.05 0.07 0.40 0.03 0.02 0.00 0.00 177.57 178.14 2kru h ARG 26 N 0.40 0.84 -0.36 1.57 3.08 -1.35 0.26 114.38 118.83 2kru h ARG 26 Ca 0.18 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 60.08 2kru h ARG 26 Cb 0.09 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 2kru h ARG 26 CO -0.13 0.58 -0.15 -0.22 -1.07 0.00 0.00 179.97 178.98 2kru h LYS 27 N 0.85 0.64 -0.29 0.04 3.64 -1.18 0.36 116.57 120.63 2kru h LYS 27 Ca 0.23 -0.21 -0.11 0.00 -1.27 0.00 0.00 60.65 59.28 2kru h LYS 27 Cb -0.06 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 2kru h LYS 27 CO -0.05 0.76 -0.26 -0.91 -2.27 0.00 0.00 179.45 176.73 2kru h ASN 28 N 0.58 0.72 0.04 4.20 2.35 -0.40 -2.64 115.58 120.44 2kru h ASN 28 Ca 0.10 -0.46 -0.12 0.00 -0.55 0.00 0.00 56.30 55.26 2kru h ASN 28 Cb 0.59 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 2kru h ASN 28 CO 0.04 1.03 -0.40 0.71 -1.65 0.00 0.00 177.43 177.16 2kru h THR 29 N 0.42 1.30 -0.28 2.81 1.35 -0.25 -2.09 112.91 116.18 2kru h THR 29 Ca 0.05 -1.54 0.06 0.00 -0.55 0.00 0.00 66.41 64.42 2kru h THR 29 Cb 0.82 1.59 -0.06 0.00 -1.73 0.00 0.00 68.15 68.77 2kru h THR 29 CO 0.07 0.48 -0.09 -0.78 -0.25 0.00 0.00 175.52 174.95 2kru h ASP 30 N 0.38 -0.32 0.18 5.36 3.58 -0.20 0.47 116.42 125.87 2kru h ASP 30 Ca 0.03 0.09 -0.07 0.00 0.42 0.00 0.00 57.03 57.51 2kru h ASP 30 Cb 0.87 0.20 -0.01 0.00 1.72 0.00 0.00 39.33 42.10 2kru h ASP 30 CO 0.07 -0.12 -0.26 0.78 -2.88 0.00 0.00 179.24 176.83 2kru h ASN 31 N -0.03 0.14 0.10 2.28 2.35 -1.31 -0.06 115.58 119.05 2kru h ASN 31 Ca 0.14 -0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.84 2kru h ASN 31 Cb 0.24 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.57 2kru h ASN 31 CO -0.31 0.41 -0.05 0.22 -1.65 0.00 0.00 177.43 176.06 2kru h TYR 32 N 0.13 -0.12 -0.53 1.19 3.20 -0.53 -2.70 116.97 117.61 2kru h TYR 32 Ca 0.02 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.78 2kru h TYR 32 Cb 0.55 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.84 2kru h TYR 32 CO 0.01 0.40 -0.10 0.00 -1.64 0.00 0.00 178.16 176.82 2kru h ALA 33 N -0.13 0.72 0.00 1.82 0.00 -0.08 -1.64 119.26 119.95 2kru h ALA 33 Ca -0.01 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 2kru h ALA 33 Cb 0.58 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 2kru h ALA 33 CO 0.02 0.63 -0.14 0.00 0.00 0.00 0.00 179.25 179.76 2kru h ARG 34 N 0.87 0.00 -0.02 0.00 3.08 -1.13 0.34 114.38 117.51 2kru h ARG 34 Ca 0.14 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.11 2kru h ARG 34 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.72 2kru h ARG 34 CO 0.05 0.14 -0.27 1.49 -1.07 0.00 0.00 179.97 180.31 2kru h GLU 35 N 0.00 0.23 0.00 0.04 4.57 -1.05 -3.31 114.58 115.05 2kru h GLU 35 Ca -0.00 -0.21 0.00 0.00 -1.18 0.00 0.00 59.36 57.97 2kru h GLU 35 Cb 0.29 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 2kru h GLU 35 CO 0.02 0.90 -0.20 -0.84 -1.18 0.00 0.00 179.01 177.70 2kru h ILE 36 N -0.37 0.00 0.00 2.32 3.07 -1.07 -3.48 117.51 117.98 2kru h ILE 36 Ca -0.03 -0.92 0.00 0.00 1.55 0.00 0.00 64.86 65.46 2kru h ILE 36 Cb 0.98 1.81 0.00 0.00 -0.27 0.00 0.00 36.82 39.34 2kru h ILE 36 CO 0.05 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.76 2kru n GLY 37 N 1.15 0.94 2.95 0.16 0.00 0.66 -5.09 105.19 105.95 2kru n GLY 37 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 2kru n GLY 37 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kru s GLU 38 N 0.13 1.59 0.00 1.61 2.02 0.85 -4.97 118.70 119.92 2kru s GLU 38 Ca 0.00 -1.15 0.29 0.00 0.02 0.00 0.00 54.97 54.13 2kru s GLU 38 Cb 0.00 -2.65 1.35 0.00 0.10 0.00 0.00 34.13 32.94 2kru s GLU 38 CO 0.00 -0.68 1.96 -0.35 0.02 0.00 0.00 175.26 176.21 2kru n PRO 39 N 4.61 0.36 -4.25 0.39 -0.04 -1.26 -4.12 135.00 130.68 2kru n PRO 39 Ca -0.09 -0.04 -0.31 0.00 -0.04 0.00 0.00 63.50 63.01 2kru n PRO 39 Cb 0.43 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.23 2kru n PRO 39 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2kru s VAL 40 N -2.67 1.84 -0.39 0.52 1.01 -1.26 -0.98 120.40 118.47 2kru s VAL 40 Ca 0.25 -0.82 -0.15 0.00 0.00 0.00 0.00 61.98 61.26 2kru s VAL 40 Cb 0.20 -1.67 0.01 0.00 0.00 0.00 0.00 36.38 34.91 2kru s VAL 40 CO 0.49 0.51 0.33 -0.69 0.00 0.00 0.00 175.10 175.74 2kru s VAL 41 N 1.21 5.21 0.22 2.92 1.01 0.16 -4.89 120.40 126.23 2kru s VAL 41 Ca 0.01 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 61.63 2kru s VAL 41 Cb -0.14 -3.90 0.03 0.00 0.00 0.00 0.00 36.38 32.38 2kru s VAL 41 CO -0.08 -0.25 0.27 0.35 0.00 0.00 0.00 175.10 175.39 2kru n THR 42 N 5.23 0.00 0.08 3.92 -2.24 -1.26 -1.95 114.28 118.06 2kru n THR 42 Ca -0.10 -0.76 0.06 0.00 -2.27 0.00 0.00 64.05 60.99 2kru n THR 42 Cb 0.48 -0.70 0.51 0.00 -2.10 0.00 0.00 70.33 68.52 2kru n THR 42 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kru h ALA 43 N 0.44 1.85 0.23 6.98 0.00 -1.93 -1.26 119.26 125.58 2kru h ALA 43 Ca -0.11 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2kru h ALA 43 Cb 0.48 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2kru h ALA 43 CO 0.16 0.12 -0.11 0.22 0.00 0.00 0.00 179.25 179.64 2kru h ASP 44 N 0.34 -0.27 -0.47 0.00 3.58 -1.97 -2.68 116.42 114.95 2kru h ASP 44 Ca 0.11 -0.18 -0.01 0.00 0.42 0.00 0.00 57.03 57.36 2kru h ASP 44 Cb 0.03 0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.13 2kru h ASP 44 CO -0.02 0.05 0.25 0.58 -2.88 0.00 0.00 179.24 177.21 2kru h VAL 45 N -0.60 1.17 -0.51 2.25 2.07 -1.83 -1.79 116.25 117.00 2kru h VAL 45 Ca -0.03 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 2kru h VAL 45 Cb 0.43 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 2kru h VAL 45 CO 0.05 0.19 0.30 0.15 0.02 0.00 0.00 177.57 178.28 2kru h PHE 46 N 0.70 0.68 -0.48 1.57 3.57 -1.20 0.11 116.94 121.89 2kru h PHE 46 Ca 0.18 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 2kru h PHE 46 Cb 0.06 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.56 2kru h PHE 46 CO 0.01 0.49 0.16 0.00 -2.23 0.00 0.00 178.31 176.73 2kru h ARG 47 N 0.68 0.74 -0.67 1.11 3.08 -1.03 -0.51 114.38 117.78 2kru h ARG 47 Ca 0.18 -0.16 0.02 0.00 0.07 0.00 0.00 59.98 60.09 2kru h ARG 47 Cb 0.01 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 29.92 2kru h ARG 47 CO -0.03 0.70 0.44 0.87 -1.07 0.00 0.00 179.97 180.87 2kru h LYS 48 N 0.64 0.85 -0.04 0.04 1.57 -1.04 -2.94 116.57 115.66 2kru h LYS 48 Ca 0.16 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 2kru h LYS 48 Cb 0.26 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 2kru h LYS 48 CO -0.01 0.56 -0.01 0.00 -0.57 0.00 0.00 179.45 179.43 2kru h ALA 49 N 1.26 0.05 -0.71 3.86 0.00 -0.71 -3.18 119.26 119.83 2kru h ALA 49 Ca 0.26 -0.21 0.14 0.00 0.00 0.00 0.00 54.91 55.10 2kru h ALA 49 Cb -0.06 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 2kru h ALA 49 CO -0.07 -0.24 0.48 0.87 0.00 0.00 0.00 179.25 180.29 2kru h LYS 50 N -0.30 0.35 0.13 0.00 1.79 -1.00 0.27 116.57 117.82 2kru h LYS 50 Ca 0.01 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.45 2kru h LYS 50 Cb 0.41 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.99 2kru h LYS 50 CO 0.00 0.23 -0.06 1.49 -1.08 0.00 0.00 179.45 180.03 2kru h GLU 51 N 0.36 -0.17 -0.17 3.15 4.81 -1.50 -0.74 114.58 120.32 2kru h GLU 51 Ca 0.35 0.01 -0.21 0.00 -0.13 0.00 0.00 59.36 59.38 2kru h GLU 51 Cb 0.84 0.04 0.01 0.00 0.63 0.00 0.00 28.75 30.26 2kru h GLU 51 CO -0.10 0.07 -0.72 1.25 -0.73 0.00 0.00 179.01 178.78 2kru h HIS 52 N -0.39 0.98 -0.13 0.92 2.76 -1.29 -1.90 115.15 116.09 2kru h HIS 52 Ca -0.02 -0.41 -0.08 0.00 -2.20 0.00 0.00 60.37 57.66 2kru h HIS 52 Cb 0.32 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.11 2kru h HIS 52 CO -0.00 1.23 -0.29 -0.07 -1.30 0.00 0.00 177.93 177.50 2kru h LEU 53 N 0.52 0.24 -3.71 0.26 3.38 -0.54 -2.65 115.31 112.81 2kru h LEU 53 Ca -0.03 -0.08 -0.44 0.00 0.09 0.00 0.00 57.88 57.41 2kru h LEU 53 Cb 1.33 -0.07 -0.26 0.00 0.09 0.00 0.00 40.66 41.76 2kru h LEU 53 CO 0.15 0.54 0.14 0.61 0.09 0.00 0.00 178.44 179.96 2kru n GLY 54 N -0.47 5.41 0.60 0.83 0.00 -0.29 -4.59 105.19 106.69 2kru n GLY 54 Ca -0.01 -1.79 0.12 0.00 0.00 0.00 0.00 46.02 44.35 2kru n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kru n GLY 55 N -0.99 0.33 0.04 -0.02 0.00 -0.72 -4.44 105.19 99.39 2kru n GLY 55 Ca 0.48 -0.48 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 2kru n GLY 55 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2kru h LEU 56 N 2.66 -0.11 -7.85 0.99 4.07 -1.81 -2.91 115.31 110.35 2kru h LEU 56 Ca 0.00 0.01 -0.74 0.00 0.08 0.00 0.00 57.88 57.23 2kru h LEU 56 Cb 0.57 0.04 -0.21 0.00 1.08 0.00 0.00 40.66 42.14 2kru h LEU 56 CO 0.00 -0.05 0.68 -0.70 -1.08 0.00 0.00 178.44 177.29 2kru s GLU 57 N -3.22 3.75 0.00 1.13 -6.30 -1.26 -3.95 118.70 108.85 2kru s GLU 57 Ca -0.01 -2.25 0.00 0.00 -2.50 0.00 0.00 54.97 50.20 2kru s GLU 57 Cb 0.00 -4.77 0.00 0.00 0.00 0.00 0.00 34.13 29.36 2kru s GLU 57 CO 0.05 -1.58 0.00 1.58 0.02 0.00 0.00 175.26 175.32 2kru n HIS 58 N 5.27 -0.07 -1.20 5.30 -0.00 -1.23 -5.03 115.22 118.27 2kru n HIS 58 Ca 0.23 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 58.35 2kru n HIS 58 Cb 0.46 0.01 -0.03 0.00 -0.12 0.00 0.00 29.99 30.32 2kru n HIS 58 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2kru n HIS 59 N -1.01 0.00 -3.44 1.57 8.25 -1.10 -4.92 115.22 114.57 2kru n HIS 59 Ca 0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.06 2kru n HIS 59 Cb 0.00 -2.20 -0.10 0.00 1.12 0.00 0.00 29.99 28.81 2kru n HIS 59 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2kru s HIS 60 N -1.73 3.22 -0.53 4.41 5.04 -1.26 -5.02 115.29 119.41 2kru s HIS 60 Ca 0.00 0.02 -0.28 0.00 -1.54 0.00 0.00 55.06 53.25 2kru s HIS 60 Cb 0.00 -2.60 0.02 0.00 0.04 0.00 0.00 32.58 30.04 2kru s HIS 60 CO 0.00 -0.37 1.34 -1.58 -2.34 0.00 0.00 174.74 171.79 2kru s HIS 61 N 1.95 2.42 0.53 3.88 2.46 -1.26 -4.99 115.29 120.28 2kru s HIS 61 Ca 0.11 0.51 -0.22 0.00 0.47 0.00 0.00 55.06 55.94 2kru s HIS 61 Cb -0.17 -4.41 -0.05 0.00 -0.13 0.00 0.00 32.58 27.82 2kru s HIS 61 CO 0.11 -1.83 1.29 -3.38 -2.47 0.00 0.00 174.74 168.46 2kru s HIS 62 N 5.56 2.45 -1.16 3.88 -3.43 -1.26 -5.29 115.29 116.03 2kru s HIS 62 Ca 0.51 1.44 0.09 0.00 -0.80 0.00 0.00 55.06 56.30 2kru s HIS 62 Cb -0.10 -3.65 0.07 0.00 -1.43 0.00 0.00 32.58 27.47 2kru s HIS 62 CO 0.27 -2.46 0.79 1.58 -2.00 0.00 0.00 174.74 172.93