#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kru h GLY 2 N 0.00 0.29 -5.35 -5.12 0.00 -2.05 -3.43 103.07 87.41 2kru h GLY 2 Ca 0.00 -0.56 -0.67 0.00 0.00 0.00 0.00 47.33 46.10 2kru h GLY 2 CO 0.00 0.50 -0.78 -0.54 0.00 0.00 0.00 176.54 175.72 2kru s GLU 3 N -3.06 3.05 0.60 4.80 2.02 -1.26 -5.09 118.70 119.76 2kru s GLU 3 Ca -0.04 -0.71 -0.19 0.00 0.02 0.00 0.00 54.97 54.05 2kru s GLU 3 Cb 0.09 -2.51 -0.03 0.00 0.10 0.00 0.00 34.13 31.78 2kru s GLU 3 CO 0.85 0.35 1.27 -0.51 0.02 0.00 0.00 175.26 177.24 2kru s LEU 4 N -0.02 3.67 -0.38 1.80 1.43 -1.26 -4.92 118.68 119.00 2kru s LEU 4 Ca -0.04 2.56 -0.29 0.00 -1.03 0.00 0.00 54.13 55.33 2kru s LEU 4 Cb -0.14 -4.54 0.02 0.00 0.03 0.00 0.00 46.19 41.56 2kru s LEU 4 CO 0.04 -1.75 1.20 -0.44 0.23 0.00 0.00 176.35 175.63 2kru s SER 5 N -1.38 6.68 0.15 2.29 0.01 -0.95 -4.84 113.70 115.67 2kru s SER 5 Ca 0.78 0.85 -0.25 0.00 1.31 0.00 0.00 55.95 58.65 2kru s SER 5 Cb -0.35 -2.54 -0.08 0.00 0.21 0.00 0.00 66.02 63.25 2kru s SER 5 CO 0.39 -1.14 0.76 0.26 0.41 0.00 0.00 173.24 173.91 2kru s TRP 6 N 4.37 3.89 0.49 2.43 0.52 -1.26 -0.01 118.94 129.38 2kru s TRP 6 Ca 0.51 1.59 0.04 0.00 0.02 0.00 0.00 56.10 58.27 2kru s TRP 6 Cb -0.12 -2.74 0.02 0.00 -1.15 0.00 0.00 33.47 29.48 2kru s TRP 6 CO 0.25 0.51 0.69 0.95 0.02 0.00 0.00 176.95 179.37 2kru s THR 7 N -1.09 2.88 0.51 2.01 -4.23 -0.79 -4.92 115.64 110.01 2kru s THR 7 Ca 0.35 -0.79 0.19 0.00 -1.18 0.00 0.00 61.69 60.26 2kru s THR 7 Cb -0.23 -3.03 0.27 0.00 1.34 0.00 0.00 72.50 70.85 2kru s THR 7 CO 0.25 -0.02 2.13 0.00 -0.54 0.00 0.00 174.62 176.44 2kru h ALA 8 N 0.32 1.77 0.28 3.99 0.00 -1.98 -1.34 119.26 122.30 2kru h ALA 8 Ca -0.42 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 2kru h ALA 8 Cb 1.29 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 2kru h ALA 8 CO 0.50 0.07 -0.22 0.93 0.00 0.00 0.00 179.25 180.53 2kru h GLU 9 N 0.00 -0.48 -0.41 0.00 5.08 -1.93 0.29 114.58 117.13 2kru h GLU 9 Ca -0.00 0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 2kru h GLU 9 Cb 0.10 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 2kru h GLU 9 CO 0.01 -0.32 0.09 0.00 -1.00 0.00 0.00 179.01 177.78 2kru h ALA 10 N 0.17 0.54 -0.10 3.43 0.00 -1.58 -2.56 119.26 119.15 2kru h ALA 10 Ca -0.02 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 2kru h ALA 10 Cb 0.44 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2kru h ALA 10 CO -0.01 0.23 -0.31 0.93 0.00 0.00 0.00 179.25 180.09 2kru h GLU 11 N 0.52 0.19 -0.70 0.00 5.08 -1.24 0.18 114.58 118.61 2kru h GLU 11 Ca 0.13 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 2kru h GLU 11 Cb 0.34 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 2kru h GLU 11 CO 0.00 0.49 0.22 -0.22 -1.00 0.00 0.00 179.01 178.50 2kru h LYS 12 N 0.17 1.08 0.00 2.33 3.64 -0.62 0.19 116.57 123.36 2kru h LYS 12 Ca 0.02 -0.22 -0.14 0.00 -1.27 0.00 0.00 60.65 59.04 2kru h LYS 12 Cb 0.63 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 2kru h LYS 12 CO 0.05 0.92 -0.68 0.52 -2.27 0.00 0.00 179.45 177.98 2kru h MET 13 N 1.04 0.00 0.00 1.90 2.86 -1.05 -3.14 114.93 116.53 2kru h MET 13 Ca 0.23 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.84 2kru h MET 13 Cb 0.29 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.94 2kru h MET 13 CO -0.01 0.67 -0.12 1.25 1.06 0.00 0.00 176.91 179.76 2kru h LEU 14 N 0.00 0.00 -2.15 1.22 5.85 -0.23 -3.13 115.31 116.87 2kru h LEU 14 Ca -0.01 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 2kru h LEU 14 Cb 1.52 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.55 2kru h LEU 14 CO 0.09 0.12 -0.01 1.23 -0.34 0.00 0.00 178.44 179.53 2kru h GLY 15 N 3.26 0.00 2.00 3.75 0.00 -0.57 -0.33 103.07 111.17 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 0.02 0.00 -0.06 0.50 0.00 0.00 0.00 176.54 176.99 2kru h LYS 16 N 0.00 0.00 -5.71 4.80 1.57 -1.69 -3.43 116.57 112.10 2kru h LYS 16 Ca -0.00 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.20 2kru h LYS 16 Cb 0.28 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.51 2kru h LYS 16 CO 0.00 0.06 -0.00 0.08 -0.57 0.00 0.00 179.45 179.02 2kru s VAL 17 N -3.49 5.10 0.28 0.50 1.01 -0.14 -5.03 120.40 118.63 2kru s VAL 17 Ca 0.03 1.10 -0.29 0.00 0.00 0.00 0.00 61.98 62.82 2kru s VAL 17 Cb 0.08 -3.90 -0.14 0.00 0.00 0.00 0.00 36.38 32.43 2kru s VAL 17 CO 0.61 0.21 1.16 -2.65 0.00 0.00 0.00 175.10 174.43 2kru n PRO 18 N 4.38 1.63 0.24 2.72 -0.02 -1.26 -4.61 135.00 138.07 2kru n PRO 18 Ca -0.04 0.57 0.16 0.00 -2.02 0.00 0.00 63.50 62.17 2kru n PRO 18 Cb 0.51 -2.06 0.86 0.00 -0.02 0.00 0.00 33.50 32.78 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 2.66 0.00 -0.80 6.00 -0.00 -1.93 0.28 116.94 123.15 2kru h PHE 19 Ca -0.42 0.00 0.04 0.00 -0.00 0.00 0.00 57.97 57.58 2kru h PHE 19 Cb 1.32 0.00 -0.05 0.00 -0.00 0.00 0.00 35.95 37.22 2kru h PHE 19 CO 0.51 0.00 0.51 0.74 -0.00 0.00 0.00 178.31 180.06 2kru h PHE 20 N 0.00 0.95 -0.00 6.09 0.04 -2.03 -3.19 116.94 118.80 2kru h PHE 20 Ca 0.00 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.80 2kru h PHE 20 Cb 0.05 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 37.89 2kru h PHE 20 CO 0.00 0.53 -0.17 1.33 -0.60 0.00 0.00 178.31 179.40 2kru n VAL 21 N -4.61 0.00 -0.10 -0.55 0.24 -0.70 -4.67 118.33 107.94 2kru n VAL 21 Ca 0.10 -0.41 -0.06 0.00 -2.04 0.00 0.00 64.34 61.93 2kru n VAL 21 Cb 0.10 1.02 0.02 0.00 -1.47 0.00 0.00 33.84 33.51 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 0.22 0.16 -0.27 7.34 2.43 -0.96 0.17 114.38 123.47 2kru h ARG 22 Ca 0.00 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 2kru h ARG 22 Cb 0.13 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 2kru h ARG 22 CO 0.00 0.11 -0.03 -0.22 -1.51 0.00 0.00 179.97 178.32 2kru h LYS 23 N 0.17 0.42 -0.15 0.20 3.64 -1.83 -1.91 116.57 117.10 2kru h LYS 23 Ca 0.17 -0.09 -0.11 0.00 -1.27 0.00 0.00 60.65 59.35 2kru h LYS 23 Cb 0.20 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 2kru h LYS 23 CO -0.24 0.47 -0.34 -0.22 -2.27 0.00 0.00 179.45 176.86 2kru h LYS 24 N 0.41 0.50 -0.81 1.90 3.64 -1.50 -2.90 116.57 117.81 2kru h LYS 24 Ca 0.09 -0.33 0.02 0.00 -1.27 0.00 0.00 60.65 59.16 2kru h LYS 24 Cb 0.32 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.14 2kru h LYS 24 CO 0.01 0.94 0.53 0.28 -2.27 0.00 0.00 179.45 178.95 2kru h VAL 25 N 0.12 1.17 -0.73 2.00 2.07 -0.47 -1.67 116.25 118.74 2kru h VAL 25 Ca 0.00 -0.36 0.03 0.00 0.82 0.00 0.00 66.70 67.19 2kru h VAL 25 Cb 0.94 0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 2kru h VAL 25 CO 0.07 0.19 0.46 -0.09 0.02 0.00 0.00 177.57 178.23 2kru h ARG 26 N 1.05 0.87 -0.14 1.57 2.43 -1.24 0.81 114.38 119.74 2kru h ARG 26 Ca 0.31 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.33 2kru h ARG 26 Cb -0.05 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.29 2kru h ARG 26 CO -0.08 0.58 -0.33 -0.22 -1.51 0.00 0.00 179.97 178.41 2kru h LYS 27 N 0.90 0.28 -0.04 0.20 3.64 -1.17 -1.14 116.57 119.24 2kru h LYS 27 Ca 0.29 -0.11 -0.22 0.00 -1.27 0.00 0.00 60.65 59.34 2kru h LYS 27 Cb 0.02 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 31.83 2kru h LYS 27 CO -0.11 0.59 -0.89 -0.91 -2.27 0.00 0.00 179.45 175.86 2kru h ASN 28 N 0.25 0.66 1.09 4.20 2.35 -0.41 -3.05 115.58 120.67 2kru h ASN 28 Ca 0.03 -0.49 -0.16 0.00 -0.55 0.00 0.00 56.30 55.14 2kru h ASN 28 Cb 0.70 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.85 2kru h ASN 28 CO 0.05 1.27 -0.74 0.74 -1.65 0.00 0.00 177.43 177.10 2kru h THR 29 N 0.32 1.35 -0.67 2.81 2.02 -0.78 -1.03 112.91 116.93 2kru h THR 29 Ca -0.07 -2.73 0.07 0.00 0.77 0.00 0.00 66.41 64.45 2kru h THR 29 Cb 1.51 2.55 -0.06 0.00 -1.74 0.00 0.00 68.15 70.41 2kru h THR 29 CO 0.16 0.73 0.35 -0.78 0.37 0.00 0.00 175.52 176.35 2kru h ASP 30 N 0.00 0.50 1.39 4.18 3.58 -1.15 0.38 116.42 125.30 2kru h ASP 30 Ca -0.01 0.04 -0.07 0.00 0.42 0.00 0.00 57.03 57.41 2kru h ASP 30 Cb 1.49 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 42.48 2kru h ASP 30 CO 0.10 0.32 -0.32 0.78 -2.88 0.00 0.00 179.24 177.23 2kru h ASN 31 N 0.64 0.00 0.15 2.28 2.35 -1.43 -3.09 115.58 116.48 2kru h ASN 31 Ca 0.31 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.05 2kru h ASN 31 Cb 0.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.61 2kru h ASN 31 CO -0.21 0.32 -0.07 0.22 -1.65 0.00 0.00 177.43 176.04 2kru h TYR 32 N 0.00 -0.18 -0.11 1.19 3.20 0.27 -3.22 116.97 118.11 2kru h TYR 32 Ca -0.00 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.80 2kru h TYR 32 Cb 1.10 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.42 2kru h TYR 32 CO 0.00 0.25 -0.20 0.00 -1.64 0.00 0.00 178.16 176.57 2kru h ALA 33 N -0.37 1.46 0.00 1.82 0.00 -0.44 -1.69 119.26 120.03 2kru h ALA 33 Ca -0.02 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 2kru h ALA 33 Cb 0.52 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 2kru h ALA 33 CO 0.03 0.38 -0.15 -0.09 0.00 0.00 0.00 179.25 179.43 2kru h ARG 34 N 0.17 0.00 0.00 0.00 2.43 -1.64 0.76 114.38 116.10 2kru h ARG 34 Ca 0.03 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.06 2kru h ARG 34 Cb 0.46 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 2kru h ARG 34 CO 0.03 0.15 -0.68 0.93 -1.51 0.00 0.00 179.97 178.89 2kru h GLU 35 N 0.00 0.00 -0.16 0.20 4.39 -1.32 -2.98 114.58 114.71 2kru h GLU 35 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2kru h GLU 35 Cb 0.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 2kru h GLU 35 CO 0.02 0.68 0.00 0.44 -1.16 0.00 0.00 179.01 178.98 2kru n ILE 36 N -3.57 0.19 -1.06 3.13 -5.35 -0.80 -4.93 119.36 106.98 2kru n ILE 36 Ca -0.00 -0.48 0.00 0.00 -0.27 0.00 0.00 62.75 62.00 2kru n ILE 36 Cb 0.70 0.86 0.00 0.00 -1.74 0.00 0.00 39.64 39.46 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 1.30 0.49 3.29 3.28 0.00 -0.69 -5.03 105.19 107.84 2kru n GLY 37 Ca 0.17 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.14 2.66 0.27 1.61 0.41 0.18 -4.93 118.70 116.76 2kru s GLU 38 Ca 0.00 -1.41 0.25 0.00 -0.41 0.00 0.00 54.97 53.41 2kru s GLU 38 Cb 0.00 -3.80 0.89 0.00 -1.78 0.00 0.00 34.13 29.43 2kru s GLU 38 CO 0.00 -0.93 1.75 -1.35 -0.49 0.00 0.00 175.26 174.25 2kru h PRO 39 N 8.44 0.00 -5.09 0.39 0.11 -1.95 -3.34 132.00 130.56 2kru h PRO 39 Ca -0.24 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.22 2kru h PRO 39 Cb 1.09 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 31.85 2kru h PRO 39 CO 0.76 0.00 -0.86 0.08 -0.21 0.00 0.00 178.00 177.76 2kru s VAL 40 N -3.23 1.95 -0.76 3.15 1.01 -1.26 -2.23 120.40 119.03 2kru s VAL 40 Ca 0.07 -0.91 -0.20 0.00 0.00 0.00 0.00 61.98 60.95 2kru s VAL 40 Cb 0.10 -1.74 0.11 0.00 0.00 0.00 0.00 36.38 34.85 2kru s VAL 40 CO 0.52 0.53 0.97 -0.69 0.00 0.00 0.00 175.10 176.42 2kru s VAL 41 N 0.92 4.65 0.24 2.92 1.01 0.99 -4.91 120.40 126.23 2kru s VAL 41 Ca -0.05 -1.09 -0.01 0.00 0.00 0.00 0.00 61.98 60.83 2kru s VAL 41 Cb -0.15 -4.67 0.05 0.00 0.00 0.00 0.00 36.38 31.61 2kru s VAL 41 CO -0.03 -1.39 0.33 0.35 0.00 0.00 0.00 175.10 174.36 2kru n THR 42 N 5.58 0.00 -0.22 3.92 -2.24 -1.26 -1.88 114.28 118.17 2kru n THR 42 Ca 0.07 -0.49 -0.02 0.00 -2.27 0.00 0.00 64.05 61.34 2kru n THR 42 Cb 0.46 -1.29 0.17 0.00 -2.10 0.00 0.00 70.33 67.57 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 -0.65 1.26 -0.25 6.98 0.00 -1.94 -0.49 119.26 124.16 2kru h ALA 43 Ca -0.11 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 2kru h ALA 43 Cb 0.39 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2kru h ALA 43 CO 0.11 0.57 0.01 0.22 0.00 0.00 0.00 179.25 180.17 2kru h ASP 44 N 1.02 0.43 -0.14 0.00 1.82 -1.98 -1.52 116.42 116.05 2kru h ASP 44 Ca 0.25 -0.30 -0.03 0.00 -0.39 0.00 0.00 57.03 56.57 2kru h ASP 44 Cb 0.10 -0.12 -0.00 0.00 0.68 0.00 0.00 39.33 39.99 2kru h ASP 44 CO -0.03 0.62 -0.01 0.58 -1.61 0.00 0.00 179.24 178.78 2kru h VAL 45 N 0.23 1.27 -0.19 2.25 2.07 -1.87 -2.83 116.25 117.18 2kru h VAL 45 Ca 0.07 -0.90 -0.06 0.00 0.82 0.00 0.00 66.70 66.64 2kru h VAL 45 Cb 0.39 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 2kru h VAL 45 CO 0.01 0.26 -0.16 0.15 0.02 0.00 0.00 177.57 177.86 2kru h PHE 46 N -0.02 0.33 -0.76 1.57 3.57 -1.09 -2.07 116.94 118.48 2kru h PHE 46 Ca 0.04 -0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 2kru h PHE 46 Cb 0.41 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.02 2kru h PHE 46 CO 0.04 0.46 0.30 -0.09 -2.23 0.00 0.00 178.31 176.80 2kru h ARG 47 N 0.29 1.13 -0.25 1.11 2.43 -1.20 -2.22 114.38 115.68 2kru h ARG 47 Ca 0.06 -0.21 -0.05 0.00 -0.81 0.00 0.00 59.98 58.97 2kru h ARG 47 Cb 0.45 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 2kru h ARG 47 CO 0.03 0.93 -0.04 0.87 -1.51 0.00 0.00 179.97 180.24 2kru h LYS 48 N 1.09 0.38 0.48 0.20 1.57 -1.14 -1.42 116.57 117.74 2kru h LYS 48 Ca 0.25 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.93 2kru h LYS 48 Cb 0.22 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2kru h LYS 48 CO -0.02 0.45 -0.23 0.00 -0.57 0.00 0.00 179.45 179.07 2kru h ALA 49 N 1.59 -0.65 -0.84 3.86 0.00 -0.96 0.74 119.26 123.00 2kru h ALA 49 Ca 0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2kru h ALA 49 Cb 0.32 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 2kru h ALA 49 CO 0.01 -0.86 0.50 0.87 0.00 0.00 0.00 179.25 179.77 2kru h LYS 50 N -0.66 1.14 0.01 0.00 1.57 -1.32 0.59 116.57 117.90 2kru h LYS 50 Ca -0.07 -0.11 0.01 0.00 -1.87 0.00 0.00 60.65 58.62 2kru h LYS 50 Cb 0.50 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 2kru h LYS 50 CO 0.11 0.81 -0.09 1.49 -0.57 0.00 0.00 179.45 181.20 2kru h GLU 51 N 1.16 -0.15 -0.42 3.15 4.81 -1.00 0.14 114.58 122.26 2kru h GLU 51 Ca 0.30 0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.45 2kru h GLU 51 Cb -0.03 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 2kru h GLU 51 CO -0.06 -0.10 -0.11 1.25 -0.73 0.00 0.00 179.01 179.26 2kru h HIS 52 N -0.16 0.93 0.00 0.92 2.76 -0.41 -2.92 115.15 116.28 2kru h HIS 52 Ca 0.03 -0.20 0.00 0.00 -2.20 0.00 0.00 60.37 58.00 2kru h HIS 52 Cb 0.19 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 28.93 2kru h HIS 52 CO -0.15 0.94 0.00 -0.07 -1.30 0.00 0.00 177.93 177.35 2kru h LEU 53 N 0.65 0.00 0.00 0.26 3.38 -0.78 -3.46 115.31 115.35 2kru h LEU 53 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2kru h LEU 53 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2kru h LEU 53 CO 0.04 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.18 2kru n GLY 54 N 0.01 0.69 3.95 0.83 0.00 -0.59 -5.07 105.19 105.01 2kru n GLY 54 Ca 0.01 -0.78 -0.23 0.00 0.00 0.00 0.00 46.02 45.01 2kru n GLY 54 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kru s GLY 55 N -1.08 1.62 -0.25 -0.02 0.00 0.39 -4.79 107.32 103.19 2kru s GLY 55 Ca 0.00 -1.05 -0.08 0.00 0.00 0.00 0.00 44.72 43.60 2kru s GLY 55 CO 0.00 -0.84 0.29 1.04 0.00 0.00 0.00 173.10 173.59 2kru n LEU 56 N -2.20 -5.65 0.00 0.66 4.77 -1.26 -4.94 117.00 108.37 2kru n LEU 56 Ca 0.03 0.45 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 2kru n LEU 56 Cb 0.58 -2.46 0.00 0.00 -2.33 0.00 0.00 43.42 39.21 2kru n LEU 56 CO 0.48 -1.56 0.00 1.21 -1.33 0.00 0.00 177.39 176.19 2kru n GLU 57 N -0.20 0.18 0.09 3.23 2.13 -1.26 -4.97 120.64 119.84 2kru n GLU 57 Ca 0.06 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.84 2kru n GLU 57 Cb 0.22 0.00 0.18 0.00 0.27 0.00 0.00 31.44 32.11 2kru n GLU 57 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2kru h HIS 58 N 0.00 0.28 -2.69 4.31 3.86 -2.01 -3.38 115.15 115.53 2kru h HIS 58 Ca 0.00 -0.09 -0.64 0.00 -1.16 0.00 0.00 60.37 58.48 2kru h HIS 58 Cb 0.00 -0.06 -0.15 0.00 1.06 0.00 0.00 27.41 28.26 2kru h HIS 58 CO 0.00 0.69 0.48 -1.58 0.86 0.00 0.00 177.93 178.38 2kru s HIS 59 N -3.97 2.73 -0.46 2.45 5.04 -1.26 -4.91 115.29 114.92 2kru s HIS 59 Ca -0.04 -0.64 0.06 0.00 -1.54 0.00 0.00 55.06 52.90 2kru s HIS 59 Cb 0.13 -4.25 0.18 0.00 0.04 0.00 0.00 32.58 28.68 2kru s HIS 59 CO 0.78 -1.59 0.62 -3.38 -2.34 0.00 0.00 174.74 168.83 2kru s HIS 60 N 3.81 -1.15 -0.40 3.88 -3.43 -1.26 -4.53 115.29 112.22 2kru s HIS 60 Ca 0.21 -0.63 -0.19 0.00 -0.80 0.00 0.00 55.06 53.65 2kru s HIS 60 Cb -0.18 0.08 0.01 0.00 -1.43 0.00 0.00 32.58 31.06 2kru s HIS 60 CO 0.09 -1.16 0.55 -1.01 -2.00 0.00 0.00 174.74 171.21 2kru s HIS 61 N 1.06 3.13 -1.08 0.38 3.76 -1.26 -4.99 115.29 116.28 2kru s HIS 61 Ca 0.26 -0.02 -0.21 0.00 -0.15 0.00 0.00 55.06 54.94 2kru s HIS 61 Cb -0.02 -3.08 0.07 0.00 1.11 0.00 0.00 32.58 30.66 2kru s HIS 61 CO -0.07 -0.70 1.47 -1.58 -0.85 0.00 0.00 174.74 173.01 2kru s HIS 62 N 2.51 2.73 0.00 1.40 2.46 -1.26 -5.23 115.29 117.90 2kru s HIS 62 Ca 0.19 -1.18 0.00 0.00 0.47 0.00 0.00 55.06 54.54 2kru s HIS 62 Cb -0.15 -4.63 0.00 0.00 -0.13 0.00 0.00 32.58 27.67 2kru s HIS 62 CO 0.15 -1.81 0.00 -2.39 -2.47 0.00 0.00 174.74 168.22