#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 2.22 3.88 -5.12 0.00 -1.26 -5.06 105.19 99.85 2kru n GLY 2 Ca 0.00 -0.70 -0.32 0.00 0.00 0.00 0.00 46.02 45.00 2kru n GLY 2 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kru s GLU 3 N 0.00 3.74 0.52 1.61 2.02 -1.26 -5.09 118.70 120.24 2kru s GLU 3 Ca 0.00 0.14 -0.07 0.00 0.02 0.00 0.00 54.97 55.06 2kru s GLU 3 Cb 0.00 -2.76 -0.04 0.00 0.10 0.00 0.00 34.13 31.43 2kru s GLU 3 CO 0.00 0.40 0.86 -0.51 0.02 0.00 0.00 175.26 176.03 2kru s LEU 4 N -2.65 3.52 -0.46 1.80 1.43 -1.26 -5.02 118.68 116.04 2kru s LEU 4 Ca 0.44 1.09 -0.26 0.00 -1.03 0.00 0.00 54.13 54.37 2kru s LEU 4 Cb -0.12 -4.07 0.03 0.00 0.03 0.00 0.00 46.19 42.06 2kru s LEU 4 CO 0.22 -0.66 0.95 -0.55 0.23 0.00 0.00 176.35 176.54 2kru s SER 5 N -4.08 6.52 -0.09 2.29 0.15 -0.62 -4.93 113.70 112.94 2kru s SER 5 Ca 0.50 0.18 -0.17 0.00 0.70 0.00 0.00 55.95 57.16 2kru s SER 5 Cb -0.10 -2.46 -0.05 0.00 -1.71 0.00 0.00 66.02 61.70 2kru s SER 5 CO 0.47 -1.06 0.43 0.26 1.20 0.00 0.00 173.24 174.54 2kru s TRP 6 N 3.80 3.57 0.69 3.44 0.52 -1.26 0.20 118.94 129.89 2kru s TRP 6 Ca 0.38 0.88 -0.06 0.00 0.02 0.00 0.00 56.10 57.31 2kru s TRP 6 Cb -0.10 -2.45 0.06 0.00 -1.15 0.00 0.00 33.47 29.83 2kru s TRP 6 CO 0.26 0.32 1.00 0.95 0.02 0.00 0.00 176.95 179.50 2kru s THR 7 N 0.11 2.40 0.37 2.01 -4.23 -0.77 -4.94 115.64 110.59 2kru s THR 7 Ca 0.24 -0.26 0.11 0.00 -1.18 0.00 0.00 61.69 60.59 2kru s THR 7 Cb -0.15 -3.04 0.11 0.00 1.34 0.00 0.00 72.50 70.76 2kru s THR 7 CO 0.10 -0.04 1.85 0.00 -0.54 0.00 0.00 174.62 175.99 2kru h ALA 8 N -0.54 1.41 -0.27 3.99 0.00 -1.98 -2.35 119.26 119.51 2kru h ALA 8 Ca -0.44 -0.29 -0.18 0.00 0.00 0.00 0.00 54.91 54.00 2kru h ALA 8 Cb 1.31 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2kru h ALA 8 CO 0.60 0.43 -0.53 0.93 0.00 0.00 0.00 179.25 180.67 2kru h GLU 9 N 0.11 0.80 -0.84 0.00 5.08 -1.93 -2.16 114.58 115.64 2kru h GLU 9 Ca 0.02 -0.50 -0.02 0.00 -1.00 0.00 0.00 59.36 57.85 2kru h GLU 9 Cb 0.56 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.82 2kru h GLU 9 CO 0.04 1.13 0.43 0.00 -1.00 0.00 0.00 179.01 179.61 2kru h ALA 10 N 0.77 1.18 -0.47 3.43 0.00 -1.72 -1.81 119.26 120.63 2kru h ALA 10 Ca 0.02 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 2kru h ALA 10 Cb 1.12 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 2kru h ALA 10 CO 0.11 0.64 0.10 0.93 0.00 0.00 0.00 179.25 181.04 2kru h GLU 11 N 1.19 0.72 -0.79 0.00 4.39 -1.26 0.19 114.58 119.02 2kru h GLU 11 Ca 0.29 -0.14 -0.02 0.00 0.34 0.00 0.00 59.36 59.84 2kru h GLU 11 Cb 0.07 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 28.57 2kru h GLU 11 CO -0.04 0.66 0.42 0.87 -1.16 0.00 0.00 179.01 179.77 2kru h LYS 12 N 0.70 1.09 0.17 2.33 1.57 -0.68 0.44 116.57 122.20 2kru h LYS 12 Ca 0.16 -0.13 -0.23 0.00 -1.87 0.00 0.00 60.65 58.58 2kru h LYS 12 Cb 0.28 -0.22 0.03 0.00 0.08 0.00 0.00 32.23 32.40 2kru h LYS 12 CO -0.00 0.81 -1.03 0.52 -0.57 0.00 0.00 179.45 179.17 2kru h MET 13 N 1.10 0.37 0.00 3.15 2.86 -0.98 -3.25 114.93 118.17 2kru h MET 13 Ca 0.28 -0.63 -0.07 0.00 -2.06 0.00 0.00 59.70 57.22 2kru h MET 13 Cb 0.03 0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 2kru h MET 13 CO -0.04 1.30 -0.32 1.25 1.06 0.00 0.00 176.91 180.15 2kru h LEU 14 N -0.22 0.00 -0.68 1.22 5.85 -0.53 -2.52 115.31 118.43 2kru h LEU 14 Ca -0.18 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.54 2kru h LEU 14 Cb 1.80 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.83 2kru h LEU 14 CO 0.18 0.32 0.00 1.23 -0.34 0.00 0.00 178.44 179.84 2kru h GLY 15 N 1.29 0.00 2.00 3.75 0.00 -0.17 -2.15 103.07 107.79 2kru h GLY 15 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 2kru h GLY 15 CO 0.04 0.00 -0.17 0.50 0.00 0.00 0.00 176.54 176.91 2kru h LYS 16 N 0.00 0.00 -6.60 4.80 1.79 -1.48 -3.44 116.57 111.64 2kru h LYS 16 Ca 0.00 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 57.96 2kru h LYS 16 Cb 0.50 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.13 2kru h LYS 16 CO 0.00 0.17 0.30 0.08 -1.08 0.00 0.00 179.45 178.92 2kru s VAL 17 N -3.41 4.34 0.14 0.50 1.01 -0.81 -4.99 120.40 117.18 2kru s VAL 17 Ca 0.03 1.95 -0.35 0.00 0.00 0.00 0.00 61.98 63.62 2kru s VAL 17 Cb 0.08 -4.26 -0.15 0.00 0.00 0.00 0.00 36.38 32.05 2kru s VAL 17 CO 0.65 0.43 1.42 -0.81 0.00 0.00 0.00 175.10 176.79 2kru n PRO 18 N 2.06 1.63 0.19 2.72 -0.04 -1.26 -4.73 135.00 135.56 2kru n PRO 18 Ca -0.01 0.59 0.12 0.00 -0.04 0.00 0.00 63.50 64.15 2kru n PRO 18 Cb 0.48 -2.26 0.66 0.00 -0.04 0.00 0.00 33.50 32.34 2kru n PRO 18 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2kru h PHE 19 N 4.88 0.00 -0.44 0.54 -0.00 -1.92 -0.11 116.94 119.89 2kru h PHE 19 Ca -0.46 0.00 -0.04 0.00 -0.00 0.00 0.00 57.97 57.47 2kru h PHE 19 Cb 1.30 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 37.23 2kru h PHE 19 CO 0.60 0.00 0.09 0.74 -0.00 0.00 0.00 178.31 179.74 2kru h PHE 20 N 0.00 0.67 0.00 6.09 0.04 -2.02 -3.27 116.94 118.46 2kru h PHE 20 Ca 0.00 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.72 2kru h PHE 20 Cb 0.05 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 38.00 2kru h PHE 20 CO 0.00 0.59 0.00 1.33 -0.60 0.00 0.00 178.31 179.63 2kru n VAL 21 N -4.30 0.77 -0.19 -0.55 0.24 -0.11 -4.70 118.33 109.49 2kru n VAL 21 Ca 0.03 -0.79 0.05 0.00 -2.04 0.00 0.00 64.34 61.59 2kru n VAL 21 Cb 0.21 0.63 0.32 0.00 -1.47 0.00 0.00 33.84 33.53 2kru n VAL 21 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2kru h ARG 22 N 0.00 0.81 0.00 7.34 3.08 -1.45 -1.07 114.38 123.09 2kru h ARG 22 Ca 0.00 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 59.91 2kru h ARG 22 Cb 0.57 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 2kru h ARG 22 CO 0.00 0.54 -0.46 0.87 -1.07 0.00 0.00 179.97 179.85 2kru h LYS 23 N 0.83 0.00 -0.07 0.04 1.79 -1.84 0.23 116.57 117.55 2kru h LYS 23 Ca 0.30 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.66 2kru h LYS 23 Cb 0.14 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.79 2kru h LYS 23 CO -0.09 0.46 -0.37 0.87 -1.08 0.00 0.00 179.45 179.24 2kru h LYS 24 N 0.00 0.38 -0.64 3.15 1.57 -1.57 -0.94 116.57 118.53 2kru h LYS 24 Ca -0.00 -0.31 -0.04 0.00 -1.87 0.00 0.00 60.65 58.42 2kru h LYS 24 Cb 0.92 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.27 2kru h LYS 24 CO 0.06 0.95 0.24 0.28 -0.57 0.00 0.00 179.45 180.41 2kru h VAL 25 N -0.10 1.24 -0.38 0.50 2.07 -1.06 -1.05 116.25 117.48 2kru h VAL 25 Ca -0.03 -0.78 -0.04 0.00 0.82 0.00 0.00 66.70 66.68 2kru h VAL 25 Cb 1.02 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 2kru h VAL 25 CO 0.08 0.30 0.08 -0.09 0.02 0.00 0.00 177.57 177.96 2kru h ARG 26 N 0.91 0.56 -0.25 1.57 2.43 -0.56 -1.47 114.38 117.56 2kru h ARG 26 Ca 0.21 -0.10 -0.15 0.00 -0.81 0.00 0.00 59.98 59.14 2kru h ARG 26 Cb 0.24 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 2kru h ARG 26 CO -0.01 0.53 -0.44 -0.22 -1.51 0.00 0.00 179.97 178.31 2kru h LYS 27 N 0.54 0.63 -0.62 0.20 3.64 -0.59 0.29 116.57 120.67 2kru h LYS 27 Ca 0.13 -0.34 -0.07 0.00 -1.27 0.00 0.00 60.65 59.09 2kru h LYS 27 Cb 0.23 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 2kru h LYS 27 CO -0.00 0.95 0.11 -0.91 -2.27 0.00 0.00 179.45 177.33 2kru h ASN 28 N 0.51 0.98 0.26 4.20 2.35 -0.63 -1.48 115.58 121.76 2kru h ASN 28 Ca 0.04 -0.26 -0.20 0.00 -0.55 0.00 0.00 56.30 55.33 2kru h ASN 28 Cb 0.97 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 39.08 2kru h ASN 28 CO 0.09 0.98 -0.80 0.71 -1.65 0.00 0.00 177.43 176.76 2kru h THR 29 N 0.93 1.38 -0.99 2.81 1.35 -1.17 -0.17 112.91 117.05 2kru h THR 29 Ca 0.19 -2.23 0.13 0.00 -0.55 0.00 0.00 66.41 63.96 2kru h THR 29 Cb 0.41 2.20 -0.09 0.00 -1.73 0.00 0.00 68.15 68.94 2kru h THR 29 CO 0.01 0.67 0.61 -0.78 -0.25 0.00 0.00 175.52 175.78 2kru h ASP 30 N 0.28 0.87 0.30 5.36 3.58 -0.15 0.32 116.42 126.98 2kru h ASP 30 Ca -0.05 0.06 -0.28 0.00 0.42 0.00 0.00 57.03 57.18 2kru h ASP 30 Cb 1.40 -0.11 0.02 0.00 1.72 0.00 0.00 39.33 42.36 2kru h ASP 30 CO 0.14 0.43 -1.22 0.78 -2.88 0.00 0.00 179.24 176.49 2kru h ASN 31 N 0.93 0.71 -0.16 2.28 2.35 -1.18 -3.34 115.58 117.17 2kru h ASN 31 Ca 0.51 -0.67 -0.17 0.00 -0.55 0.00 0.00 56.30 55.42 2kru h ASN 31 Cb 0.57 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.71 2kru h ASN 31 CO -0.29 1.49 -0.52 0.22 -1.65 0.00 0.00 177.43 176.68 2kru h TYR 32 N 0.21 0.92 -0.42 1.19 3.20 0.15 -2.27 116.97 119.94 2kru h TYR 32 Ca -0.16 -0.32 -0.04 0.00 3.14 0.00 0.00 58.73 61.35 2kru h TYR 32 Cb 1.90 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 39.97 2kru h TYR 32 CO 0.09 1.10 0.08 0.00 -1.64 0.00 0.00 178.16 177.80 2kru h ALA 33 N 0.84 1.36 -0.20 1.82 0.00 -0.58 -0.97 119.26 121.52 2kru h ALA 33 Ca 0.02 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 2kru h ALA 33 Cb 1.09 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2kru h ALA 33 CO 0.11 0.46 -0.37 0.00 0.00 0.00 0.00 179.25 179.44 2kru h ARG 34 N 0.62 0.45 -0.66 0.00 3.08 -1.63 0.49 114.38 116.72 2kru h ARG 34 Ca 0.14 -0.21 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 2kru h ARG 34 Cb 0.26 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 2kru h ARG 34 CO 0.00 0.76 0.25 1.49 -1.07 0.00 0.00 179.97 181.40 2kru h GLU 35 N 0.38 1.00 0.00 0.04 4.81 -0.63 -2.69 114.58 117.49 2kru h GLU 35 Ca 0.04 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 2kru h GLU 35 Cb 0.83 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.05 2kru h GLU 35 CO 0.07 0.84 -0.49 0.44 -0.73 0.00 0.00 179.01 179.14 2kru n ILE 36 N -4.39 0.04 -0.75 2.32 -5.35 -0.60 -4.95 119.36 105.67 2kru n ILE 36 Ca 0.05 -0.03 0.00 0.00 -0.27 0.00 0.00 62.75 62.49 2kru n ILE 36 Cb 0.18 0.17 0.00 0.00 -1.74 0.00 0.00 39.64 38.25 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 1.48 0.83 3.50 3.28 0.00 0.01 -5.06 105.19 109.24 2kru n GLY 37 Ca 0.05 -0.56 -0.38 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.68 3.68 0.37 1.61 0.41 0.15 -4.95 118.70 118.28 2kru s GLU 38 Ca 0.00 -0.49 0.23 0.00 -0.41 0.00 0.00 54.97 54.31 2kru s GLU 38 Cb 0.00 -3.54 0.37 0.00 -1.78 0.00 0.00 34.13 29.18 2kru s GLU 38 CO 0.00 -0.26 1.56 -1.00 -0.49 0.00 0.00 175.26 175.07 2kru h PRO 39 N 8.33 0.00 -4.90 0.39 0.13 -1.96 -3.37 132.00 130.63 2kru h PRO 39 Ca -0.35 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.11 2kru h PRO 39 Cb 1.17 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.00 2kru h PRO 39 CO 0.58 0.00 -0.72 0.08 -0.23 0.00 0.00 178.00 177.71 2kru s VAL 40 N -3.21 3.09 -0.58 1.56 1.01 -1.26 -1.59 120.40 119.42 2kru s VAL 40 Ca 0.07 -0.92 -0.27 0.00 0.00 0.00 0.00 61.98 60.85 2kru s VAL 40 Cb 0.07 -2.56 0.03 0.00 0.00 0.00 0.00 36.38 33.93 2kru s VAL 40 CO 0.68 0.20 1.12 -0.69 0.00 0.00 0.00 175.10 176.41 2kru s VAL 41 N 1.37 4.11 0.56 2.92 1.01 0.13 -4.91 120.40 125.58 2kru s VAL 41 Ca 0.01 0.68 0.09 0.00 0.00 0.00 0.00 61.98 62.77 2kru s VAL 41 Cb -0.16 -4.69 0.07 0.00 0.00 0.00 0.00 36.38 31.60 2kru s VAL 41 CO -0.03 -1.31 0.73 0.42 0.00 0.00 0.00 175.10 174.91 2kru s THR 42 N 4.71 2.17 0.47 3.92 -4.23 -1.26 -1.85 115.64 119.56 2kru s THR 42 Ca 0.39 -1.05 0.14 0.00 -1.18 0.00 0.00 61.69 59.98 2kru s THR 42 Cb -0.09 -2.22 0.30 0.00 1.34 0.00 0.00 72.50 71.83 2kru s THR 42 CO 0.23 0.00 2.06 0.00 -0.54 0.00 0.00 174.62 176.37 2kru h ALA 43 N 0.28 1.98 -0.27 3.99 0.00 -1.95 -0.89 119.26 122.40 2kru h ALA 43 Ca -0.31 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.42 2kru h ALA 43 Cb 1.29 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2kru h ALA 43 CO 0.43 -0.04 -0.48 0.22 0.00 0.00 0.00 179.25 179.38 2kru h ASP 44 N 0.27 0.80 -0.47 0.00 3.58 -1.98 0.20 116.42 118.82 2kru h ASP 44 Ca 0.15 -0.40 -0.09 0.00 0.42 0.00 0.00 57.03 57.11 2kru h ASP 44 Cb 0.25 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.06 2kru h ASP 44 CO -0.03 1.15 -0.06 0.58 -2.88 0.00 0.00 179.24 178.00 2kru h VAL 45 N 0.58 1.27 -0.34 2.25 2.07 -1.69 0.12 116.25 120.51 2kru h VAL 45 Ca 0.03 -1.15 -0.13 0.00 0.82 0.00 0.00 66.70 66.26 2kru h VAL 45 Cb 1.05 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 2kru h VAL 45 CO 0.10 0.40 -0.32 0.15 0.02 0.00 0.00 177.57 177.92 2kru h PHE 46 N 0.71 0.85 0.01 1.57 3.04 -1.08 0.61 116.94 122.66 2kru h PHE 46 Ca 0.13 -0.22 0.02 0.00 3.98 0.00 0.00 57.97 61.87 2kru h PHE 46 Cb 0.59 -0.19 -0.03 0.00 2.56 0.00 0.00 35.95 38.87 2kru h PHE 46 CO 0.04 0.96 -0.16 -0.09 -2.02 0.00 0.00 178.31 177.04 2kru h ARG 47 N 0.62 -0.25 -0.34 1.11 2.43 -0.40 -1.39 114.38 116.16 2kru h ARG 47 Ca 0.07 0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.18 2kru h ARG 47 Cb 0.84 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.43 2kru h ARG 47 CO 0.07 -0.17 -0.11 -0.22 -1.51 0.00 0.00 179.97 178.04 2kru h LYS 48 N -0.26 0.57 -0.50 0.20 3.64 -0.48 -1.16 116.57 118.57 2kru h LYS 48 Ca 0.05 -0.17 -0.00 0.00 -1.27 0.00 0.00 60.65 59.26 2kru h LYS 48 Cb 0.32 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 2kru h LYS 48 CO -0.14 0.67 0.30 0.00 -2.27 0.00 0.00 179.45 178.01 2kru h ALA 49 N 1.36 0.64 -0.13 5.00 0.00 -0.69 0.50 119.26 125.94 2kru h ALA 49 Ca 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2kru h ALA 49 Cb 0.50 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2kru h ALA 49 CO 0.03 0.14 0.08 0.87 0.00 0.00 0.00 179.25 180.37 2kru h LYS 50 N 0.67 0.16 -0.45 0.00 1.57 -0.42 0.26 116.57 118.36 2kru h LYS 50 Ca 0.18 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.93 2kru h LYS 50 Cb 0.01 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 2kru h LYS 50 CO -0.03 0.11 0.18 0.93 -0.57 0.00 0.00 179.45 180.07 2kru h GLU 51 N 0.17 0.64 0.06 3.15 5.08 -1.00 0.30 114.58 122.97 2kru h GLU 51 Ca 0.05 -0.09 -0.25 0.00 -1.00 0.00 0.00 59.36 58.08 2kru h GLU 51 Cb -0.02 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 2kru h GLU 51 CO -0.01 0.53 -1.19 1.25 -1.00 0.00 0.00 179.01 178.59 2kru h HIS 52 N 0.64 0.21 0.06 4.33 2.76 -0.49 -3.19 115.15 119.47 2kru h HIS 52 Ca 0.16 -0.16 -0.32 0.00 -2.20 0.00 0.00 60.37 57.85 2kru h HIS 52 Cb 0.13 -0.01 -0.03 0.00 1.55 0.00 0.00 27.41 29.05 2kru h HIS 52 CO 0.01 1.14 -1.76 1.28 -1.30 0.00 0.00 177.93 177.29 2kru n LEU 53 N -3.40 2.29 -2.72 0.26 4.77 0.87 -4.83 117.00 114.24 2kru n LEU 53 Ca -0.06 0.29 -0.08 0.00 -0.03 0.00 0.00 56.01 56.13 2kru n LEU 53 Cb 0.99 -1.03 0.09 0.00 -2.33 0.00 0.00 43.42 41.15 2kru n LEU 53 CO 0.50 0.60 0.39 0.61 -1.33 0.00 0.00 177.39 178.16 2kru n GLY 54 N 1.72 0.47 3.54 -0.72 0.00 0.86 -5.05 105.19 106.01 2kru n GLY 54 Ca -0.34 0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 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 0.28 2.29 0.20 -0.02 0.00 -0.15 -4.71 105.19 103.07 2kru n GLY 55 Ca 0.04 -1.28 0.14 0.00 0.00 0.00 0.00 46.02 44.92 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 13.74 0.00 -9.76 0.99 3.38 -1.91 -3.44 115.31 118.31 2kru h LEU 56 Ca 0.40 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.86 2kru h LEU 56 Cb 0.87 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.64 2kru h LEU 56 CO 1.43 0.00 0.48 -0.70 0.09 0.00 0.00 178.44 179.74 2kru s GLU 57 N -3.33 4.62 -0.64 1.13 2.56 -1.26 -4.97 118.70 116.81 2kru s GLU 57 Ca 0.06 1.79 -0.20 0.00 0.00 0.00 0.00 54.97 56.62 2kru s GLU 57 Cb 0.08 -3.22 0.10 0.00 2.00 0.00 0.00 34.13 33.10 2kru s GLU 57 CO 0.58 0.15 0.79 -1.01 -0.56 0.00 0.00 175.26 175.21 2kru s HIS 58 N -0.83 2.95 -0.18 5.30 3.76 -1.26 -4.67 115.29 120.36 2kru s HIS 58 Ca 0.46 -0.93 -0.08 0.00 -0.15 0.00 0.00 55.06 54.37 2kru s HIS 58 Cb -0.31 -4.09 0.03 0.00 1.11 0.00 0.00 32.58 29.31 2kru s HIS 58 CO 0.39 -1.38 0.15 1.58 -0.85 0.00 0.00 174.74 174.63 2kru n HIS 59 N 6.59 -3.57 -2.05 1.40 -0.00 -1.26 -4.85 115.22 111.48 2kru n HIS 59 Ca -0.05 1.96 -0.42 0.00 -0.00 0.00 0.00 57.72 59.20 2kru n HIS 59 Cb 0.44 -3.41 -0.03 0.00 -0.00 0.00 0.00 29.99 26.99 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 -0.80 2.41 0.38 1.57 2.46 -1.26 -5.00 115.29 115.06 2kru s HIS 60 Ca -0.18 0.44 0.08 0.00 0.47 0.00 0.00 55.06 55.87 2kru s HIS 60 Cb 0.01 -3.85 -0.06 0.00 -0.13 0.00 0.00 32.58 28.55 2kru s HIS 60 CO 0.65 -3.41 0.08 -3.38 -2.47 0.00 0.00 174.74 166.21 2kru s HIS 61 N 3.03 2.57 -0.08 3.88 -3.43 -1.26 -5.07 115.29 114.93 2kru s HIS 61 Ca 0.70 -0.55 -0.30 0.00 -0.80 0.00 0.00 55.06 54.12 2kru s HIS 61 Cb -0.35 -1.75 -0.05 0.00 -1.43 0.00 0.00 32.58 29.00 2kru s HIS 61 CO 0.29 0.35 1.67 -1.58 -2.00 0.00 0.00 174.74 173.47 2kru s HIS 62 N -2.59 1.96 0.00 0.38 2.46 -1.26 -5.26 115.29 110.98 2kru s HIS 62 Ca 0.37 0.23 0.00 0.00 0.47 0.00 0.00 55.06 56.14 2kru s HIS 62 Cb 0.04 -3.93 0.00 0.00 -0.13 0.00 0.00 32.58 28.56 2kru s HIS 62 CO 0.20 -3.78 0.00 1.58 -2.47 0.00 0.00 174.74 170.28