#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 -0.96 3.52 -5.12 0.00 -1.26 -5.18 105.19 96.19 2kru n GLY 2 Ca 0.00 0.27 -0.09 0.00 0.00 0.00 0.00 46.02 46.20 2kru n GLY 2 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kru s GLU 3 N 0.00 1.41 0.73 1.61 -1.05 -1.26 -5.13 118.70 115.01 2kru s GLU 3 Ca 0.00 -1.05 -0.02 0.00 -0.15 0.00 0.00 54.97 53.75 2kru s GLU 3 Cb 0.00 0.48 0.12 0.00 -0.44 0.00 0.00 34.13 34.30 2kru s GLU 3 CO 0.00 -0.58 1.01 -0.51 0.95 0.00 0.00 175.26 176.13 2kru s LEU 4 N -2.94 2.96 -0.82 1.83 1.43 -1.26 -5.00 118.68 114.89 2kru s LEU 4 Ca 0.15 -0.24 -0.23 0.00 -1.03 0.00 0.00 54.13 52.77 2kru s LEU 4 Cb -0.00 -2.12 0.07 0.00 0.03 0.00 0.00 46.19 44.16 2kru s LEU 4 CO 0.02 -1.88 1.19 -0.55 0.23 0.00 0.00 176.35 175.36 2kru s SER 5 N -4.72 6.33 0.00 2.29 0.15 0.12 -4.90 113.70 112.97 2kru s SER 5 Ca 0.66 -1.15 -0.28 0.00 0.70 0.00 0.00 55.95 55.88 2kru s SER 5 Cb -0.06 -2.49 -0.04 0.00 -1.71 0.00 0.00 66.02 61.73 2kru s SER 5 CO 0.45 -1.50 0.90 0.26 1.20 0.00 0.00 173.24 174.55 2kru s TRP 6 N 4.47 3.67 0.59 3.44 0.52 -1.26 0.13 118.94 130.50 2kru s TRP 6 Ca 0.33 1.59 -0.02 0.00 0.02 0.00 0.00 56.10 58.03 2kru s TRP 6 Cb -0.08 -3.01 0.04 0.00 -1.15 0.00 0.00 33.47 29.26 2kru s TRP 6 CO 0.03 0.07 0.85 0.95 0.02 0.00 0.00 176.95 178.87 2kru s THR 7 N 0.73 2.76 0.54 2.01 -4.23 -0.57 -4.90 115.64 111.98 2kru s THR 7 Ca 0.47 -0.47 0.22 0.00 -1.18 0.00 0.00 61.69 60.73 2kru s THR 7 Cb -0.21 -3.09 0.32 0.00 1.34 0.00 0.00 72.50 70.87 2kru s THR 7 CO 0.26 -0.07 2.14 0.00 -0.54 0.00 0.00 174.62 176.41 2kru h ALA 8 N -0.13 1.96 0.41 3.99 0.00 -1.97 -0.70 119.26 122.82 2kru h ALA 8 Ca -0.43 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 2kru h ALA 8 Cb 1.30 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2kru h ALA 8 CO 0.56 -0.14 -0.20 0.93 0.00 0.00 0.00 179.25 180.41 2kru h GLU 9 N 0.00 -0.53 -0.26 0.00 5.08 -1.93 -1.61 114.58 115.33 2kru h GLU 9 Ca 0.05 0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.29 2kru h GLU 9 Cb 0.22 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2kru h GLU 9 CO -0.00 -0.35 -0.48 0.00 -1.00 0.00 0.00 179.01 177.18 2kru h ALA 10 N 0.05 0.65 -0.96 3.43 0.00 -1.64 -1.85 119.26 118.93 2kru h ALA 10 Ca -0.06 -0.48 0.03 0.00 0.00 0.00 0.00 54.91 54.40 2kru h ALA 10 Cb 0.42 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 2kru h ALA 10 CO 0.09 0.68 0.63 0.93 0.00 0.00 0.00 179.25 181.58 2kru h GLU 11 N 0.56 1.21 0.00 0.00 4.39 -1.10 0.30 114.58 119.95 2kru h GLU 11 Ca 0.03 -0.07 -0.25 0.00 0.34 0.00 0.00 59.36 59.40 2kru h GLU 11 Cb 1.04 -0.27 0.02 0.00 -0.10 0.00 0.00 28.75 29.43 2kru h GLU 11 CO 0.10 0.80 -1.02 0.87 -1.16 0.00 0.00 179.01 178.61 2kru h LYS 12 N 1.25 0.60 -0.46 2.33 1.57 -1.14 0.20 116.57 120.92 2kru h LYS 12 Ca 0.37 -0.65 -0.13 0.00 -1.87 0.00 0.00 60.65 58.37 2kru h LYS 12 Cb -0.06 0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 2kru h LYS 12 CO -0.11 1.26 -0.22 0.52 -0.57 0.00 0.00 179.45 180.33 2kru h MET 13 N 0.34 0.93 0.00 3.15 2.86 -1.03 -2.37 114.93 118.81 2kru h MET 13 Ca -0.11 -0.39 0.00 0.00 -2.06 0.00 0.00 59.70 57.13 2kru h MET 13 Cb 1.66 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 33.29 2kru h MET 13 CO 0.19 1.05 0.00 1.25 1.06 0.00 0.00 176.91 180.47 2kru h LEU 14 N 0.81 0.00 -1.70 1.22 5.85 -0.45 -3.11 115.31 117.93 2kru h LEU 14 Ca 0.11 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.83 2kru h LEU 14 Cb 0.78 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.81 2kru h LEU 14 CO 0.06 0.00 0.00 1.23 -0.34 0.00 0.00 178.44 179.39 2kru h GLY 15 N 3.76 0.00 2.00 3.75 0.00 -0.40 -0.98 103.07 111.21 2kru h GLY 15 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2kru h GLY 15 CO 0.00 0.00 -0.05 0.50 0.00 0.00 0.00 176.54 176.99 2kru h LYS 16 N 0.00 0.00 -5.70 4.80 1.57 -1.51 -3.42 116.57 112.32 2kru h LYS 16 Ca 0.00 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.19 2kru h LYS 16 Cb 0.39 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.61 2kru h LYS 16 CO 0.00 0.05 0.03 0.08 -0.57 0.00 0.00 179.45 179.04 2kru s VAL 17 N -3.77 5.08 0.17 0.50 1.01 -0.37 -5.02 120.40 117.99 2kru s VAL 17 Ca -0.00 1.12 -0.33 0.00 0.00 0.00 0.00 61.98 62.77 2kru s VAL 17 Cb 0.10 -3.91 -0.15 0.00 0.00 0.00 0.00 36.38 32.42 2kru s VAL 17 CO 0.55 0.19 1.28 -2.65 0.00 0.00 0.00 175.10 174.46 2kru n PRO 18 N 4.56 1.44 0.11 2.72 -0.02 -1.26 -4.54 135.00 138.01 2kru n PRO 18 Ca -0.03 0.51 0.19 0.00 -2.02 0.00 0.00 63.50 62.16 2kru n PRO 18 Cb 0.50 -2.09 0.76 0.00 -0.02 0.00 0.00 33.50 32.65 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 3.94 0.00 -0.08 6.00 -0.00 -1.92 0.26 116.94 125.13 2kru h PHE 19 Ca -0.44 0.00 0.04 0.00 -0.00 0.00 0.00 57.97 57.57 2kru h PHE 19 Cb 1.32 0.00 -0.05 0.00 -0.00 0.00 0.00 35.95 37.21 2kru h PHE 19 CO 0.56 0.00 -0.27 0.74 -0.00 0.00 0.00 178.31 179.34 2kru h PHE 20 N 0.00 -0.74 0.00 6.09 0.04 -2.03 -3.07 116.94 117.23 2kru h PHE 20 Ca 0.17 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.97 2kru h PHE 20 Cb 0.91 0.34 0.00 0.00 2.20 0.00 0.00 35.95 39.40 2kru h PHE 20 CO 0.00 -0.36 -1.09 1.33 -0.60 0.00 0.00 178.31 177.59 2kru n VAL 21 N -5.39 0.00 -0.23 -0.55 0.24 -0.48 -4.21 118.33 107.72 2kru n VAL 21 Ca -0.04 -0.06 0.08 0.00 -2.04 0.00 0.00 64.34 62.29 2kru n VAL 21 Cb 0.30 0.90 0.34 0.00 -1.47 0.00 0.00 33.84 33.91 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 0.00 0.75 -0.60 7.34 2.43 -0.45 -1.18 114.38 122.68 2kru h ARG 22 Ca 0.00 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2kru h ARG 22 Cb 0.54 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 2kru h ARG 22 CO 0.00 0.50 0.37 -0.22 -1.51 0.00 0.00 179.97 179.11 2kru h LYS 23 N 0.77 0.80 -0.29 0.20 1.63 -1.72 0.20 116.57 118.17 2kru h LYS 23 Ca 0.37 -0.07 -0.14 0.00 -0.85 0.00 0.00 60.65 59.96 2kru h LYS 23 Cb 0.41 -0.17 -0.00 0.00 -0.60 0.00 0.00 32.23 31.86 2kru h LYS 23 CO -0.14 0.56 -0.36 -0.22 -3.45 0.00 0.00 179.45 175.84 2kru h LYS 24 N 0.81 0.75 -0.30 1.90 3.64 -1.56 -2.53 116.57 119.28 2kru h LYS 24 Ca 0.22 -0.42 -0.06 0.00 -1.27 0.00 0.00 60.65 59.11 2kru h LYS 24 Cb -0.04 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 2kru h LYS 24 CO -0.04 1.05 -0.05 0.28 -2.27 0.00 0.00 179.45 178.42 2kru h VAL 25 N 0.50 1.27 -0.23 2.00 2.07 -1.02 -2.80 116.25 118.04 2kru h VAL 25 Ca 0.04 -1.06 0.04 0.00 0.82 0.00 0.00 66.70 66.54 2kru h VAL 25 Cb 0.94 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 32.04 2kru h VAL 25 CO 0.09 0.34 0.00 -0.09 0.02 0.00 0.00 177.57 177.93 2kru h ARG 26 N 0.33 0.08 -0.92 1.57 2.43 -0.59 -1.44 114.38 115.84 2kru h ARG 26 Ca 0.08 -0.00 0.13 0.00 -0.81 0.00 0.00 59.98 59.38 2kru h ARG 26 Cb 0.52 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.98 2kru h ARG 26 CO 0.03 0.05 0.59 -0.22 -1.51 0.00 0.00 179.97 178.90 2kru h LYS 27 N 0.08 0.76 -0.59 0.20 3.64 -1.42 -0.12 116.57 119.12 2kru h LYS 27 Ca 0.11 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.34 2kru h LYS 27 Cb 0.14 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 2kru h LYS 27 CO -0.18 0.50 -0.03 -0.97 -2.27 0.00 0.00 179.45 176.50 2kru h ASN 28 N 0.78 1.04 -0.21 4.20 -0.73 -1.00 -2.41 115.58 117.25 2kru h ASN 28 Ca 0.46 -0.31 -0.18 0.00 1.87 0.00 0.00 56.30 58.14 2kru h ASN 28 Cb 0.63 -0.28 -0.00 0.00 0.27 0.00 0.00 38.32 38.94 2kru h ASN 28 CO -0.22 1.10 -0.55 0.74 -0.37 0.00 0.00 177.43 178.14 2kru h THR 29 N 0.96 1.28 -0.95 -3.57 2.02 -0.65 -0.96 112.91 111.04 2kru h THR 29 Ca 0.16 -1.75 0.11 0.00 0.77 0.00 0.00 66.41 65.71 2kru h THR 29 Cb 0.59 1.66 -0.08 0.00 -1.74 0.00 0.00 68.15 68.58 2kru h THR 29 CO 0.04 0.56 0.61 0.44 0.37 0.00 0.00 175.52 177.54 2kru h ASP 30 N 0.61 0.85 1.13 4.18 3.32 -0.89 0.51 116.42 126.13 2kru h ASP 30 Ca 0.01 0.04 -0.13 0.00 0.02 0.00 0.00 57.03 56.97 2kru h ASP 30 Cb 1.14 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.54 2kru h ASP 30 CO 0.12 0.47 -0.63 0.78 -1.72 0.00 0.00 179.24 178.26 2kru h ASN 31 N 0.93 0.00 0.53 6.45 -0.26 -1.23 -2.42 115.58 119.58 2kru h ASN 31 Ca 0.46 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 56.17 2kru h ASN 31 Cb 0.48 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.75 2kru h ASN 31 CO -0.22 0.63 -0.26 0.22 -1.06 0.00 0.00 177.43 176.74 2kru h TYR 32 N 0.00 -0.66 -0.10 1.19 3.20 0.45 -0.68 116.97 120.37 2kru h TYR 32 Ca -0.01 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.80 2kru h TYR 32 Cb 1.36 0.22 -0.01 0.00 1.54 0.00 0.00 36.73 39.84 2kru h TYR 32 CO 0.00 -0.35 -0.16 0.00 -1.64 0.00 0.00 178.16 176.01 2kru h ALA 33 N -0.55 1.55 0.00 1.82 0.00 -1.27 -0.49 119.26 120.32 2kru h ALA 33 Ca -0.07 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 2kru h ALA 33 Cb 0.62 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2kru h ALA 33 CO 0.12 0.33 -0.25 -0.09 0.00 0.00 0.00 179.25 179.36 2kru h ARG 34 N 0.15 0.00 -0.23 0.00 9.65 -1.29 0.32 114.38 122.99 2kru h ARG 34 Ca 0.03 0.00 -0.15 0.00 -1.10 0.00 0.00 59.98 58.76 2kru h ARG 34 Cb 0.38 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.96 2kru h ARG 34 CO 0.02 0.25 -0.43 1.49 2.80 0.00 0.00 179.97 184.11 2kru h GLU 35 N 0.00 0.69 0.00 0.20 4.81 0.51 -3.26 114.58 117.53 2kru h GLU 35 Ca -0.00 -0.44 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 2kru h GLU 35 Cb 0.46 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.89 2kru h GLU 35 CO 0.03 1.06 -0.91 0.44 -0.73 0.00 0.00 179.01 178.90 2kru n ILE 36 N -4.19 0.19 -0.90 2.32 -5.35 -1.07 -4.98 119.36 105.39 2kru n ILE 36 Ca -0.05 -0.23 0.00 0.00 -0.27 0.00 0.00 62.75 62.20 2kru n ILE 36 Cb 0.56 0.16 0.00 0.00 -1.74 0.00 0.00 39.64 38.61 2kru n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2kru n GLY 37 N 1.37 0.81 3.12 3.28 0.00 0.80 -5.08 105.19 109.49 2kru n GLY 37 Ca 0.02 -0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.59 2.42 0.38 1.61 2.02 0.63 -4.99 118.70 119.19 2kru s GLU 38 Ca 0.00 -1.25 0.27 0.00 0.02 0.00 0.00 54.97 54.01 2kru s GLU 38 Cb 0.00 -2.99 0.91 0.00 0.10 0.00 0.00 34.13 32.15 2kru s GLU 38 CO 0.00 -0.55 1.78 -1.35 0.02 0.00 0.00 175.26 175.17 2kru h PRO 39 N 7.89 0.00 -5.19 0.39 0.11 -1.97 -3.39 132.00 129.84 2kru h PRO 39 Ca -0.23 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 65.23 2kru h PRO 39 Cb 1.06 0.00 -0.27 0.00 0.11 0.00 0.00 31.00 31.90 2kru h PRO 39 CO 0.51 0.00 -0.74 0.08 -0.21 0.00 0.00 178.00 177.64 2kru s VAL 40 N -3.35 3.23 -0.46 3.15 1.01 -1.26 -0.71 120.40 122.00 2kru s VAL 40 Ca 0.05 -0.58 -0.11 0.00 0.00 0.00 0.00 61.98 61.34 2kru s VAL 40 Cb 0.09 -2.40 0.10 0.00 0.00 0.00 0.00 36.38 34.16 2kru s VAL 40 CO 0.55 0.49 0.34 -0.69 0.00 0.00 0.00 175.10 175.79 2kru s VAL 41 N 0.80 4.55 0.20 2.92 1.01 0.12 -4.89 120.40 125.10 2kru s VAL 41 Ca -0.03 -1.47 0.03 0.00 0.00 0.00 0.00 61.98 60.51 2kru s VAL 41 Cb -0.15 -3.85 0.03 0.00 0.00 0.00 0.00 36.38 32.41 2kru s VAL 41 CO 0.01 -0.65 0.27 0.35 0.00 0.00 0.00 175.10 175.08 2kru n THR 42 N 5.01 0.00 -0.12 3.92 -2.24 -1.26 -1.51 114.28 118.09 2kru n THR 42 Ca -0.10 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 61.02 2kru n THR 42 Cb 0.42 -0.82 0.27 0.00 -2.10 0.00 0.00 70.33 68.10 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 0.38 1.43 -0.39 6.98 0.00 -1.93 -0.35 119.26 125.38 2kru h ALA 43 Ca -0.09 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 2kru h ALA 43 Cb 0.42 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2kru h ALA 43 CO 0.13 0.46 0.04 0.22 0.00 0.00 0.00 179.25 180.10 2kru h ASP 44 N 0.79 0.63 -0.54 0.00 3.58 -1.98 0.89 116.42 119.79 2kru h ASP 44 Ca 0.20 -0.28 -0.03 0.00 0.42 0.00 0.00 57.03 57.34 2kru h ASP 44 Cb 0.07 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 40.93 2kru h ASP 44 CO -0.03 0.75 0.22 0.58 -2.88 0.00 0.00 179.24 177.88 2kru h VAL 45 N 0.49 1.22 -0.78 2.25 2.07 -1.79 0.74 116.25 120.44 2kru h VAL 45 Ca 0.11 -0.68 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 2kru h VAL 45 Cb 0.40 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 2kru h VAL 45 CO 0.01 0.26 0.40 0.15 0.02 0.00 0.00 177.57 178.41 2kru h PHE 46 N 0.74 1.10 0.00 1.57 3.57 -0.93 0.16 116.94 123.15 2kru h PHE 46 Ca 0.18 -0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.65 2kru h PHE 46 Cb 0.20 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 2kru h PHE 46 CO 0.01 0.79 -0.05 -0.09 -2.23 0.00 0.00 178.31 176.74 2kru h ARG 47 N 1.09 -0.08 -0.31 1.11 2.43 -0.29 -1.02 114.38 117.30 2kru h ARG 47 Ca 0.27 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.39 2kru h ARG 47 Cb 0.09 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 2kru h ARG 47 CO -0.04 -0.05 -0.06 0.87 -1.51 0.00 0.00 179.97 179.17 2kru h LYS 48 N -0.08 0.51 -0.20 0.20 1.57 -0.57 -2.76 116.57 115.23 2kru h LYS 48 Ca 0.02 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 2kru h LYS 48 Cb 0.11 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 2kru h LYS 48 CO -0.05 0.58 0.10 0.00 -0.57 0.00 0.00 179.45 179.51 2kru h ALA 49 N 1.46 0.26 -0.58 3.86 0.00 -0.32 -1.86 119.26 122.09 2kru h ALA 49 Ca 0.10 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.02 2kru h ALA 49 Cb 0.41 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.05 2kru h ALA 49 CO 0.02 -0.19 0.19 0.87 0.00 0.00 0.00 179.25 180.14 2kru h LYS 50 N 0.20 0.34 -0.32 0.00 1.57 -0.90 0.23 116.57 117.69 2kru h LYS 50 Ca 0.07 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 2kru h LYS 50 Cb 0.10 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 2kru h LYS 50 CO -0.01 0.23 0.08 1.49 -0.57 0.00 0.00 179.45 180.67 2kru h GLU 51 N 0.35 0.51 -0.20 3.15 4.81 -1.40 0.15 114.58 121.97 2kru h GLU 51 Ca 0.29 -0.12 -0.11 0.00 -0.13 0.00 0.00 59.36 59.29 2kru h GLU 51 Cb 0.37 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 2kru h GLU 51 CO -0.32 0.57 -0.35 1.25 -0.73 0.00 0.00 179.01 179.43 2kru h HIS 52 N 0.37 0.49 0.13 0.92 2.76 -0.47 -3.14 115.15 116.21 2kru h HIS 52 Ca 0.10 -0.12 -0.23 0.00 -2.20 0.00 0.00 60.37 57.92 2kru h HIS 52 Cb 0.28 -0.11 0.01 0.00 1.55 0.00 0.00 27.41 29.14 2kru h HIS 52 CO 0.01 0.72 -1.09 -0.07 -1.30 0.00 0.00 177.93 176.20 2kru h LEU 53 N 0.36 0.44 0.00 0.26 3.38 -0.54 -3.48 115.31 115.74 2kru h LEU 53 Ca 0.04 -0.91 0.00 0.00 0.09 0.00 0.00 57.88 57.10 2kru h LEU 53 Cb 0.79 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2kru h LEU 53 CO 0.06 1.50 0.00 0.61 0.09 0.00 0.00 178.44 180.70 2kru n GLY 54 N 1.70 -1.03 3.59 0.83 0.00 0.40 -5.09 105.19 105.59 2kru n GLY 54 Ca -0.19 0.74 -0.28 0.00 0.00 0.00 0.00 46.02 46.29 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 0.00 -1.95 0.28 -0.02 0.00 -0.41 -4.77 105.19 98.32 2kru n GLY 55 Ca 0.00 -1.63 -0.05 0.00 0.00 0.00 0.00 46.02 44.34 2kru n GLY 55 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2kru h LEU 56 N 0.00 0.75 -9.60 0.99 6.46 -1.96 -3.42 115.31 108.53 2kru h LEU 56 Ca -0.41 -0.20 -0.66 0.00 -0.12 0.00 0.00 57.88 56.49 2kru h LEU 56 Cb 1.17 -0.20 -0.07 0.00 -0.73 0.00 0.00 40.66 40.82 2kru h LEU 56 CO 0.28 0.85 -0.46 -1.83 -0.62 0.00 0.00 178.44 176.66 2kru s GLU 57 N -4.88 3.54 0.12 1.25 1.03 -1.26 -5.10 118.70 113.40 2kru s GLU 57 Ca -0.09 -0.11 0.07 0.00 0.03 0.00 0.00 54.97 54.87 2kru s GLU 57 Cb 0.14 -3.22 -0.04 0.00 -0.80 0.00 0.00 34.13 30.22 2kru s GLU 57 CO 0.81 0.73 -0.17 -1.01 -1.33 0.00 0.00 175.26 174.29 2kru s HIS 58 N -0.89 1.58 0.00 4.83 3.76 -1.26 -4.75 115.29 118.55 2kru s HIS 58 Ca 0.15 -0.48 0.00 0.00 -0.15 0.00 0.00 55.06 54.58 2kru s HIS 58 Cb -0.12 -0.83 0.00 0.00 1.11 0.00 0.00 32.58 32.74 2kru s HIS 58 CO 0.04 0.19 0.00 1.58 -0.85 0.00 0.00 174.74 175.70 2kru n HIS 59 N 0.74 0.00 -2.17 1.40 -0.00 -1.26 -4.89 115.22 109.04 2kru n HIS 59 Ca -0.17 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.12 2kru n HIS 59 Cb 0.56 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.52 2kru n HIS 59 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kru s HIS 60 N 0.00 2.11 -0.19 1.57 5.04 -1.26 -4.98 115.29 117.58 2kru s HIS 60 Ca 0.00 0.64 -0.12 0.00 -1.54 0.00 0.00 55.06 54.04 2kru s HIS 60 Cb 0.00 -4.20 -0.05 0.00 0.04 0.00 0.00 32.58 28.38 2kru s HIS 60 CO 0.00 -2.50 0.23 -1.58 -2.34 0.00 0.00 174.74 168.54 2kru s HIS 61 N 6.05 3.41 0.07 3.88 2.46 -1.26 -4.93 115.29 124.98 2kru s HIS 61 Ca 0.71 0.45 0.00 0.00 0.47 0.00 0.00 55.06 56.69 2kru s HIS 61 Cb -0.19 -2.29 0.00 0.00 -0.13 0.00 0.00 32.58 29.98 2kru s HIS 61 CO 0.33 0.21 0.00 1.58 -2.47 0.00 0.00 174.74 174.38 2kru n HIS 62 N 3.75 -0.77 1.65 3.88 -0.00 -1.26 -5.23 115.22 117.24 2kru n HIS 62 Ca -0.13 0.40 0.15 0.00 -0.00 0.00 0.00 57.72 58.14 2kru n HIS 62 Cb 0.52 -1.72 0.65 0.00 -0.00 0.00 0.00 29.99 29.44 2kru n HIS 62 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06