#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 0.22 1.05 -5.12 0.00 -1.26 -5.10 105.19 94.98 2kru n GLY 2 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2kru n GLY 2 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2kru n GLU 3 N 1.29 -2.98 -2.64 1.61 2.13 -1.26 -5.00 120.64 113.79 2kru n GLU 3 Ca 0.08 2.18 -0.26 0.00 0.66 0.00 0.00 57.16 59.82 2kru n GLU 3 Cb 0.65 -2.43 0.01 0.00 0.27 0.00 0.00 31.44 29.93 2kru n GLU 3 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2kru s LEU 4 N -2.30 3.54 -0.47 4.31 1.43 -1.26 -5.05 118.68 118.88 2kru s LEU 4 Ca 0.00 0.78 -0.10 0.00 -1.03 0.00 0.00 54.13 53.78 2kru s LEU 4 Cb 0.00 -3.68 0.11 0.00 0.03 0.00 0.00 46.19 42.65 2kru s LEU 4 CO 0.00 -0.71 0.35 -0.44 0.23 0.00 0.00 176.35 175.78 2kru s SER 5 N -4.17 5.75 0.13 2.29 0.01 0.38 -4.98 113.70 113.11 2kru s SER 5 Ca 0.49 -1.83 -0.26 0.00 1.31 0.00 0.00 55.95 55.65 2kru s SER 5 Cb -0.10 -2.03 -0.07 0.00 0.21 0.00 0.00 66.02 64.03 2kru s SER 5 CO 0.44 -0.69 0.82 0.26 0.41 0.00 0.00 173.24 174.48 2kru s TRP 6 N 1.40 3.85 0.52 2.43 0.52 -1.26 -0.27 118.94 126.13 2kru s TRP 6 Ca 0.05 1.64 0.04 0.00 0.02 0.00 0.00 56.10 57.85 2kru s TRP 6 Cb -0.26 -2.85 0.04 0.00 -1.15 0.00 0.00 33.47 29.25 2kru s TRP 6 CO 0.00 0.39 0.73 0.95 0.02 0.00 0.00 176.95 179.03 2kru s THR 7 N -0.63 2.68 0.37 2.01 -4.23 -0.76 -4.92 115.64 110.16 2kru s THR 7 Ca 0.39 -0.81 0.04 0.00 -1.18 0.00 0.00 61.69 60.13 2kru s THR 7 Cb -0.23 -2.87 0.24 0.00 1.34 0.00 0.00 72.50 70.98 2kru s THR 7 CO 0.26 0.00 1.99 0.00 -0.54 0.00 0.00 174.62 176.34 2kru h ALA 8 N 0.22 1.56 0.29 3.99 0.00 -1.98 -0.83 119.26 122.51 2kru h ALA 8 Ca -0.39 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 2kru h ALA 8 Cb 1.29 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2kru h ALA 8 CO 0.47 0.37 -0.14 0.93 0.00 0.00 0.00 179.25 180.88 2kru h GLU 9 N 0.65 -0.37 -0.36 0.00 3.07 -1.94 -1.00 114.58 114.63 2kru h GLU 9 Ca 0.17 0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 59.04 2kru h GLU 9 Cb 0.03 0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.01 2kru h GLU 9 CO -0.03 -0.18 0.17 0.00 -1.40 0.00 0.00 179.01 177.57 2kru h ALA 10 N 0.21 0.46 -0.95 3.43 0.00 -1.70 -0.37 119.26 120.34 2kru h ALA 10 Ca -0.04 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.80 2kru h ALA 10 Cb 0.36 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 2kru h ALA 10 CO 0.06 0.03 0.62 0.93 0.00 0.00 0.00 179.25 180.90 2kru h GLU 11 N 0.44 1.17 -0.35 0.00 4.39 -1.16 0.16 114.58 119.23 2kru h GLU 11 Ca 0.12 -0.07 -0.12 0.00 0.34 0.00 0.00 59.36 59.64 2kru h GLU 11 Cb 0.13 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 2kru h GLU 11 CO -0.01 0.77 -0.23 -0.22 -1.16 0.00 0.00 179.01 178.15 2kru h LYS 12 N 1.20 0.78 0.00 2.33 1.63 -0.66 -1.91 116.57 119.95 2kru h LYS 12 Ca 0.38 -0.37 -0.08 0.00 -0.85 0.00 0.00 60.65 59.73 2kru h LYS 12 Cb 0.00 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.61 2kru h LYS 12 CO -0.11 1.00 -0.37 0.52 -3.45 0.00 0.00 179.45 177.03 2kru h MET 13 N 0.57 0.00 0.00 1.90 2.86 -0.61 -1.33 114.93 118.32 2kru h MET 13 Ca 0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 2kru h MET 13 Cb 0.80 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.46 2kru h MET 13 CO 0.06 0.37 0.00 1.25 1.06 0.00 0.00 176.91 179.65 2kru h LEU 14 N 0.00 0.00 -0.09 1.22 5.85 -0.41 -3.04 115.31 118.84 2kru h LEU 14 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2kru h LEU 14 Cb 0.72 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.75 2kru h LEU 14 CO 0.05 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 178.76 2kru n GLY 15 N 0.60 -1.11 0.26 3.75 0.00 -0.50 -2.02 105.19 106.18 2kru n GLY 15 Ca 0.03 -0.04 0.16 0.00 0.00 0.00 0.00 46.02 46.17 2kru n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kru h LYS 16 N 0.00 0.00 -5.28 1.61 1.57 -1.64 -3.43 116.57 109.40 2kru h LYS 16 Ca 0.00 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.17 2kru h LYS 16 Cb 0.30 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.48 2kru h LYS 16 CO 0.00 0.03 -0.27 0.08 -0.57 0.00 0.00 179.45 178.73 2kru s VAL 17 N -3.62 5.22 0.29 0.50 1.01 -0.86 -5.04 120.40 117.90 2kru s VAL 17 Ca 0.02 0.57 -0.29 0.00 0.00 0.00 0.00 61.98 62.27 2kru s VAL 17 Cb 0.09 -3.68 -0.13 0.00 0.00 0.00 0.00 36.38 32.66 2kru s VAL 17 CO 0.57 0.24 1.24 -2.65 0.00 0.00 0.00 175.10 174.51 2kru n PRO 18 N 4.68 1.84 -0.10 2.72 -0.02 -1.26 -4.44 135.00 138.41 2kru n PRO 18 Ca -0.10 0.65 0.21 0.00 -2.02 0.00 0.00 63.50 62.25 2kru n PRO 18 Cb 0.51 -2.19 0.65 0.00 -0.02 0.00 0.00 33.50 32.45 2kru n PRO 18 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2kru h PHE 19 N 2.93 0.14 -0.80 6.00 3.57 -1.95 0.29 116.94 127.13 2kru h PHE 19 Ca -0.44 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.11 2kru h PHE 19 Cb 1.30 -0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.95 2kru h PHE 19 CO 0.52 0.05 0.52 0.74 -2.23 0.00 0.00 178.31 177.91 2kru h PHE 20 N 0.11 0.92 -0.01 0.41 0.04 -2.04 -2.76 116.94 113.61 2kru h PHE 20 Ca 0.34 0.02 0.00 0.00 2.80 0.00 0.00 57.97 61.13 2kru h PHE 20 Cb 1.17 -0.30 0.00 0.00 2.20 0.00 0.00 35.95 39.02 2kru h PHE 20 CO -0.00 0.51 -0.01 1.33 -0.60 0.00 0.00 178.31 179.54 2kru n VAL 21 N -4.47 0.00 -0.05 -0.55 0.24 -0.16 -4.66 118.33 108.69 2kru n VAL 21 Ca 0.11 -0.50 -0.11 0.00 -2.04 0.00 0.00 64.34 61.81 2kru n VAL 21 Cb 0.16 1.09 -0.05 0.00 -1.47 0.00 0.00 33.84 33.57 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 0.81 0.27 -0.20 7.34 2.43 -0.20 0.48 114.38 125.32 2kru h ARG 22 Ca 0.00 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 2kru h ARG 22 Cb 0.18 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 2kru h ARG 22 CO 0.00 0.34 -0.03 1.57 -1.51 0.00 0.00 179.97 180.34 2kru h LYS 23 N 0.14 0.29 0.14 0.20 2.10 -1.83 0.38 116.57 118.00 2kru h LYS 23 Ca 0.06 -0.05 -0.01 0.00 -2.00 0.00 0.00 60.65 58.65 2kru h LYS 23 Cb 0.17 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.45 2kru h LYS 23 CO -0.01 0.34 -0.07 -0.22 -2.00 0.00 0.00 179.45 177.50 2kru h LYS 24 N 0.29 -0.18 -0.47 0.07 3.64 -1.69 -1.88 116.57 116.34 2kru h LYS 24 Ca 0.07 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 2kru h LYS 24 Cb 0.24 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 2kru h LYS 24 CO 0.01 0.06 0.20 0.28 -2.27 0.00 0.00 179.45 177.73 2kru h VAL 25 N -0.41 1.20 -0.44 2.00 2.07 -0.43 -2.63 116.25 117.61 2kru h VAL 25 Ca -0.02 -0.59 0.04 0.00 0.82 0.00 0.00 66.70 66.95 2kru h VAL 25 Cb 0.33 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 2kru h VAL 25 CO 0.03 0.23 0.19 -0.09 0.02 0.00 0.00 177.57 177.95 2kru h ARG 26 N 0.62 0.38 -0.09 1.57 2.43 -0.22 -0.27 114.38 118.80 2kru h ARG 26 Ca 0.16 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.27 2kru h ARG 26 Cb 0.16 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 2kru h ARG 26 CO -0.02 0.25 -0.10 -0.22 -1.51 0.00 0.00 179.97 178.38 2kru h LYS 27 N 0.39 0.13 -0.45 0.20 3.64 -1.22 0.34 116.57 119.61 2kru h LYS 27 Ca 0.20 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.42 2kru h LYS 27 Cb 0.14 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 2kru h LYS 27 CO -0.17 0.24 -0.24 -0.91 -2.27 0.00 0.00 179.45 176.11 2kru h ASN 28 N 0.13 0.96 -0.22 4.20 2.35 -0.78 -1.88 115.58 120.33 2kru h ASN 28 Ca 0.03 -0.37 -0.15 0.00 -0.55 0.00 0.00 56.30 55.26 2kru h ASN 28 Cb 0.26 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 2kru h ASN 28 CO 0.01 1.15 -0.40 0.71 -1.65 0.00 0.00 177.43 177.25 2kru h THR 29 N 0.80 1.29 -0.68 2.81 1.35 0.40 0.83 112.91 119.71 2kru h THR 29 Ca 0.10 -1.58 0.08 0.00 -0.55 0.00 0.00 66.41 64.46 2kru h THR 29 Cb 0.80 1.47 -0.06 0.00 -1.73 0.00 0.00 68.15 68.62 2kru h THR 29 CO 0.07 0.51 0.35 0.44 -0.25 0.00 0.00 175.52 176.64 2kru h ASP 30 N 0.63 0.48 0.26 5.36 3.32 -0.29 0.38 116.42 126.55 2kru h ASP 30 Ca 0.05 0.05 -0.11 0.00 0.02 0.00 0.00 57.03 57.04 2kru h ASP 30 Cb 0.96 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.46 2kru h ASP 30 CO 0.09 0.29 -0.43 0.78 -1.72 0.00 0.00 179.24 178.24 2kru h ASN 31 N 0.62 0.24 -0.40 6.45 2.35 -1.11 -2.48 115.58 121.24 2kru h ASN 31 Ca 0.32 -0.10 -0.13 0.00 -0.55 0.00 0.00 56.30 55.84 2kru h ASN 31 Cb 0.29 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 2kru h ASN 31 CO -0.24 0.65 -0.25 0.22 -1.65 0.00 0.00 177.43 176.16 2kru h TYR 32 N 0.19 1.03 -0.44 1.19 3.20 0.75 0.46 116.97 123.35 2kru h TYR 32 Ca 0.01 -0.27 -0.01 0.00 3.14 0.00 0.00 58.73 61.61 2kru h TYR 32 Cb 0.85 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.87 2kru h TYR 32 CO 0.01 1.07 0.26 0.00 -1.64 0.00 0.00 178.16 177.86 2kru h ALA 33 N 0.80 0.57 -0.77 1.82 0.00 -0.23 -1.04 119.26 120.41 2kru h ALA 33 Ca 0.08 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2kru h ALA 33 Cb 0.83 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 2kru h ALA 33 CO 0.07 0.07 0.36 0.00 0.00 0.00 0.00 179.25 179.75 2kru h ARG 34 N 0.58 1.11 -0.31 0.00 3.08 -1.29 0.53 114.38 118.08 2kru h ARG 34 Ca 0.16 -0.16 0.01 0.00 0.07 0.00 0.00 59.98 60.06 2kru h ARG 34 Cb 0.02 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 2kru h ARG 34 CO -0.03 0.86 0.18 1.49 -1.07 0.00 0.00 179.97 181.40 2kru h GLU 35 N 1.10 0.36 0.00 0.04 4.57 -0.24 -2.39 114.58 118.02 2kru h GLU 35 Ca 0.26 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.42 2kru h GLU 35 Cb 0.13 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.64 2kru h GLU 35 CO -0.03 0.23 -0.31 0.44 -1.18 0.00 0.00 179.01 178.17 2kru n ILE 36 N -4.92 0.02 -1.14 2.32 -5.35 -0.46 -4.93 119.36 104.90 2kru n ILE 36 Ca -0.01 -0.02 0.00 0.00 -0.27 0.00 0.00 62.75 62.46 2kru n ILE 36 Cb 0.05 -0.06 0.00 0.00 -1.74 0.00 0.00 39.64 37.89 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 1.49 0.99 3.23 3.28 0.00 0.38 -5.06 105.19 109.50 2kru n GLY 37 Ca 0.06 -0.54 -0.37 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.65 2.50 0.55 1.61 0.41 0.16 -4.95 118.70 116.33 2kru s GLU 38 Ca 0.00 -1.33 0.34 0.00 -0.41 0.00 0.00 54.97 53.57 2kru s GLU 38 Cb 0.00 -3.48 1.38 0.00 -1.78 0.00 0.00 34.13 30.25 2kru s GLU 38 CO 0.00 -0.76 1.99 -1.35 -0.49 0.00 0.00 175.26 174.65 2kru h PRO 39 N 8.19 0.00 -5.08 0.39 0.11 -1.96 -3.38 132.00 130.26 2kru h PRO 39 Ca -0.21 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.24 2kru h PRO 39 Cb 1.07 0.00 -0.27 0.00 0.11 0.00 0.00 31.00 31.91 2kru h PRO 39 CO 0.63 0.00 -0.73 0.08 -0.21 0.00 0.00 178.00 177.77 2kru s VAL 40 N -3.67 3.31 -0.51 3.15 1.01 -1.26 -0.47 120.40 121.95 2kru s VAL 40 Ca 0.01 -0.53 -0.19 0.00 0.00 0.00 0.00 61.98 61.27 2kru s VAL 40 Cb 0.09 -2.48 0.06 0.00 0.00 0.00 0.00 36.38 34.05 2kru s VAL 40 CO 0.54 0.45 0.63 -0.69 0.00 0.00 0.00 175.10 176.03 2kru s VAL 41 N 1.16 4.87 0.58 2.92 1.01 0.63 -4.90 120.40 126.68 2kru s VAL 41 Ca 0.02 -0.53 0.05 0.00 0.00 0.00 0.00 61.98 61.52 2kru s VAL 41 Cb -0.14 -4.31 0.10 0.00 0.00 0.00 0.00 36.38 32.03 2kru s VAL 41 CO -0.01 -0.82 0.80 0.35 0.00 0.00 0.00 175.10 175.41 2kru n THR 42 N 5.61 0.00 -0.18 3.92 -2.24 -1.26 -1.83 114.28 118.30 2kru n THR 42 Ca -0.07 -1.62 0.01 0.00 -2.27 0.00 0.00 64.05 60.10 2kru n THR 42 Cb 0.45 -0.71 0.27 0.00 -2.10 0.00 0.00 70.33 68.24 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 -0.14 1.48 0.24 6.98 0.00 -1.93 -0.46 119.26 125.42 2kru h ALA 43 Ca -0.27 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 2kru h ALA 43 Cb 1.12 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 2kru h ALA 43 CO 0.34 0.47 -0.13 0.22 0.00 0.00 0.00 179.25 180.15 2kru h ASP 44 N 0.93 -0.32 -0.77 0.00 3.58 -1.98 0.31 116.42 118.17 2kru h ASP 44 Ca 0.25 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.72 2kru h ASP 44 Cb -0.07 0.09 -0.04 0.00 1.72 0.00 0.00 39.33 41.03 2kru h ASP 44 CO -0.05 -0.22 0.49 0.58 -2.88 0.00 0.00 179.24 177.16 2kru h VAL 45 N -0.35 1.21 -0.30 2.25 2.07 -1.82 -1.10 116.25 118.22 2kru h VAL 45 Ca -0.03 -0.42 -0.13 0.00 0.82 0.00 0.00 66.70 66.94 2kru h VAL 45 Cb 0.28 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 2kru h VAL 45 CO 0.04 0.21 -0.36 0.15 0.02 0.00 0.00 177.57 177.63 2kru h PHE 46 N 1.04 0.79 -0.43 1.57 3.57 -0.97 -2.17 116.94 120.35 2kru h PHE 46 Ca 0.28 -0.22 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 2kru h PHE 46 Cb -0.08 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.47 2kru h PHE 46 CO -0.01 0.94 0.20 -0.09 -2.23 0.00 0.00 178.31 177.12 2kru h ARG 47 N 0.56 0.62 -0.27 1.11 2.43 0.21 -1.09 114.38 117.94 2kru h ARG 47 Ca 0.06 -0.09 -0.05 0.00 -0.81 0.00 0.00 59.98 59.08 2kru h ARG 47 Cb 0.87 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.30 2kru h ARG 47 CO 0.08 0.53 -0.07 0.87 -1.51 0.00 0.00 179.97 179.88 2kru h LYS 48 N 0.55 0.44 -0.42 0.20 1.57 -1.14 -2.60 116.57 115.17 2kru h LYS 48 Ca 0.15 -0.10 -0.09 0.00 -1.87 0.00 0.00 60.65 58.74 2kru h LYS 48 Cb 0.12 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 2kru h LYS 48 CO -0.02 0.52 -0.11 0.00 -0.57 0.00 0.00 179.45 179.27 2kru h ALA 49 N 1.52 1.03 -0.35 3.86 0.00 -0.75 -2.01 119.26 122.57 2kru h ALA 49 Ca 0.09 -0.31 0.07 0.00 0.00 0.00 0.00 54.91 54.75 2kru h ALA 49 Cb 0.38 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 2kru h ALA 49 CO 0.02 0.59 -0.05 0.87 0.00 0.00 0.00 179.25 180.67 2kru h LYS 50 N 0.67 0.04 -0.50 0.00 1.79 -0.81 0.17 116.57 117.93 2kru h LYS 50 Ca 0.12 -0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.47 2kru h LYS 50 Cb 0.57 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.19 2kru h LYS 50 CO 0.04 0.02 -0.13 1.49 -1.08 0.00 0.00 179.45 179.79 2kru h GLU 51 N 0.04 0.96 -0.35 3.15 4.81 -1.53 -3.21 114.58 118.45 2kru h GLU 51 Ca 0.17 -0.36 -0.14 0.00 -0.13 0.00 0.00 59.36 58.90 2kru h GLU 51 Cb 0.25 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 2kru h GLU 51 CO -0.33 1.02 -0.34 1.25 -0.73 0.00 0.00 179.01 179.88 2kru h HIS 52 N 0.85 0.93 0.00 0.92 2.76 -0.55 -2.92 115.15 117.14 2kru h HIS 52 Ca 0.13 -0.26 -0.05 0.00 -2.20 0.00 0.00 60.37 58.00 2kru h HIS 52 Cb 0.68 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 29.43 2kru h HIS 52 CO 0.04 1.02 -0.22 -0.07 -1.30 0.00 0.00 177.93 177.40 2kru h LEU 53 N 0.66 0.00 0.00 0.26 3.38 -0.71 -3.49 115.31 115.41 2kru h LEU 53 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2kru h LEU 53 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 2kru h LEU 53 CO 0.08 0.22 0.00 0.61 0.09 0.00 0.00 178.44 179.44 2kru n GLY 54 N -0.36 0.35 1.18 0.83 0.00 -1.10 -4.91 105.19 101.18 2kru n GLY 54 Ca -0.01 -1.23 0.04 0.00 0.00 0.00 0.00 46.02 44.82 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 2.64 0.28 -0.02 0.00 -1.26 -4.46 105.19 102.37 2kru n GLY 55 Ca 0.00 -1.05 -0.06 0.00 0.00 0.00 0.00 46.02 44.91 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 1.04 0.86 -7.90 0.99 5.85 -1.91 -3.33 115.31 110.91 2kru h LEU 56 Ca -0.14 -0.12 -0.76 0.00 0.84 0.00 0.00 57.88 57.71 2kru h LEU 56 Cb 1.54 -0.22 -0.27 0.00 0.37 0.00 0.00 40.66 42.08 2kru h LEU 56 CO 0.07 0.74 -0.15 -0.70 -0.34 0.00 0.00 178.44 178.06 2kru s GLU 57 N -5.75 3.08 -0.00 1.25 2.12 -1.26 -4.82 118.70 113.32 2kru s GLU 57 Ca -0.13 -2.11 0.04 0.00 0.36 0.00 0.00 54.97 53.13 2kru s GLU 57 Cb 0.14 -4.21 -0.06 0.00 0.26 0.00 0.00 34.13 30.26 2kru s GLU 57 CO 0.79 -1.27 0.10 1.58 -0.54 0.00 0.00 175.26 175.93 2kru n HIS 58 N 4.49 0.00 -3.34 5.30 -0.00 -1.25 -4.94 115.22 115.48 2kru n HIS 58 Ca 0.00 0.00 -0.40 0.00 0.46 0.00 0.00 57.72 57.78 2kru n HIS 58 Cb 0.43 -0.07 -0.09 0.00 -0.12 0.00 0.00 29.99 30.14 2kru n HIS 58 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kru s HIS 59 N -2.08 3.21 -0.49 1.57 3.76 -1.26 -4.98 115.29 115.03 2kru s HIS 59 Ca -0.01 0.20 0.08 0.00 -0.15 0.00 0.00 55.06 55.18 2kru s HIS 59 Cb 0.03 -2.72 0.27 0.00 1.11 0.00 0.00 32.58 31.27 2kru s HIS 59 CO 0.16 -0.39 0.65 1.58 -0.85 0.00 0.00 174.74 175.89 2kru n HIS 60 N 5.48 1.39 -0.02 1.40 -0.00 -1.26 -4.74 115.22 117.46 2kru n HIS 60 Ca -0.07 -3.82 -0.11 0.00 0.46 0.00 0.00 57.72 54.17 2kru n HIS 60 Cb 0.50 -0.44 -0.14 0.00 -0.12 0.00 0.00 29.99 29.79 2kru n HIS 60 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kru n HIS 61 N 0.97 0.96 0.00 1.57 -0.00 -1.26 -4.89 115.22 112.57 2kru n HIS 61 Ca 0.25 0.31 0.00 0.00 -0.00 0.00 0.00 57.72 58.28 2kru n HIS 61 Cb 0.49 -1.16 0.00 0.00 -0.00 0.00 0.00 29.99 29.32 2kru n HIS 61 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kru n HIS 62 N -3.12 0.00 -0.10 1.57 -0.00 -1.26 -5.35 115.22 106.97 2kru n HIS 62 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.50 2kru n HIS 62 Cb 1.06 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 31.05 2kru n HIS 62 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95