#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 -1.06 3.84 -5.12 0.00 -1.26 -5.12 105.19 96.47 2kru n GLY 2 Ca 0.00 0.39 -0.26 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 3.05 0.63 1.61 -6.30 -1.26 -5.10 118.70 111.32 2kru s GLU 3 Ca 0.00 -0.80 -0.12 0.00 -2.50 0.00 0.00 54.97 51.56 2kru s GLU 3 Cb 0.00 -2.73 -0.03 0.00 0.00 0.00 0.00 34.13 31.36 2kru s GLU 3 CO 0.00 0.49 1.03 -0.51 0.02 0.00 0.00 175.26 176.30 2kru s LEU 4 N -3.14 3.25 -0.31 2.70 1.43 -1.26 -5.04 118.68 116.31 2kru s LEU 4 Ca 0.32 1.48 0.00 0.00 -1.03 0.00 0.00 54.13 54.90 2kru s LEU 4 Cb -0.10 -4.48 0.07 0.00 0.03 0.00 0.00 46.19 41.71 2kru s LEU 4 CO 0.25 -0.97 0.01 -0.44 0.23 0.00 0.00 176.35 175.43 2kru s SER 5 N -3.98 4.82 0.23 2.29 0.01 0.99 -5.00 113.70 113.06 2kru s SER 5 Ca 0.56 -1.53 -0.29 0.00 1.31 0.00 0.00 55.95 56.00 2kru s SER 5 Cb -0.12 -1.68 -0.09 0.00 0.21 0.00 0.00 66.02 64.35 2kru s SER 5 CO 0.52 -0.30 0.91 0.26 0.41 0.00 0.00 173.24 175.04 2kru s TRP 6 N 1.15 3.95 0.53 2.43 0.52 -1.26 -0.37 118.94 125.89 2kru s TRP 6 Ca -0.02 1.86 -0.05 0.00 0.02 0.00 0.00 56.10 57.91 2kru s TRP 6 Cb -0.20 -2.94 -0.01 0.00 -1.15 0.00 0.00 33.47 29.17 2kru s TRP 6 CO -0.03 0.45 0.82 0.95 0.02 0.00 0.00 176.95 179.16 2kru s THR 7 N -1.21 4.22 0.34 2.01 -4.23 0.01 -4.89 115.64 111.89 2kru s THR 7 Ca 0.41 0.01 0.04 0.00 -1.18 0.00 0.00 61.69 60.97 2kru s THR 7 Cb -0.25 -3.63 0.29 0.00 1.34 0.00 0.00 72.50 70.25 2kru s THR 7 CO 0.30 -0.61 1.93 0.00 -0.54 0.00 0.00 174.62 175.71 2kru h ALA 8 N 0.07 1.65 -0.27 3.99 0.00 -1.97 -0.61 119.26 122.12 2kru h ALA 8 Ca -0.46 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 2kru h ALA 8 Cb 1.23 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2kru h ALA 8 CO 0.61 0.21 -0.02 0.93 0.00 0.00 0.00 179.25 180.97 2kru h GLU 9 N 0.84 0.49 -0.22 0.00 4.39 -1.93 -0.43 114.58 117.72 2kru h GLU 9 Ca 0.36 -0.17 -0.02 0.00 0.34 0.00 0.00 59.36 59.87 2kru h GLU 9 Cb 0.30 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 2kru h GLU 9 CO -0.13 0.67 0.07 0.00 -1.16 0.00 0.00 179.01 178.46 2kru h ALA 10 N 0.80 0.29 -0.29 3.43 0.00 -1.65 -2.71 119.26 119.13 2kru h ALA 10 Ca 0.07 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 2kru h ALA 10 Cb 0.47 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2kru h ALA 10 CO 0.02 -0.10 -0.10 0.93 0.00 0.00 0.00 179.25 180.01 2kru h GLU 11 N 0.19 0.48 -0.94 0.00 5.08 -1.13 -0.99 114.58 117.26 2kru h GLU 11 Ca 0.07 -0.13 0.02 0.00 -1.00 0.00 0.00 59.36 58.32 2kru h GLU 11 Cb 0.22 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.36 2kru h GLU 11 CO -0.00 0.58 0.62 -0.22 -1.00 0.00 0.00 179.01 178.99 2kru h LYS 12 N 0.45 1.22 0.05 2.33 3.64 -0.80 0.12 116.57 123.57 2kru h LYS 12 Ca 0.09 -0.07 -0.23 0.00 -1.27 0.00 0.00 60.65 59.16 2kru h LYS 12 Cb 0.44 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 2kru h LYS 12 CO 0.02 0.81 -1.08 0.52 -2.27 0.00 0.00 179.45 177.45 2kru h MET 13 N 1.25 0.10 0.00 1.90 2.86 -1.18 -3.20 114.93 116.67 2kru h MET 13 Ca 0.35 -0.17 -0.04 0.00 -2.06 0.00 0.00 59.70 57.79 2kru h MET 13 Cb -0.11 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 2kru h MET 13 CO -0.09 1.08 -0.18 1.25 1.06 0.00 0.00 176.91 180.03 2kru h LEU 14 N 0.03 0.00 -1.49 1.22 5.85 -0.53 -1.99 115.31 118.40 2kru h LEU 14 Ca -0.05 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 2kru h LEU 14 Cb 1.83 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.86 2kru h LEU 14 CO 0.16 0.18 -0.09 1.23 -0.34 0.00 0.00 178.44 179.58 2kru h GLY 15 N 1.23 0.00 2.00 3.75 0.00 -0.98 -1.90 103.07 107.17 2kru h GLY 15 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2kru h GLY 15 CO 0.02 0.00 0.00 0.50 0.00 0.00 0.00 176.54 177.06 2kru h LYS 16 N 0.00 0.00 -6.03 4.80 1.57 -1.48 -3.44 116.57 111.99 2kru h LYS 16 Ca -0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 2kru h LYS 16 Cb 0.54 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.79 2kru h LYS 16 CO 0.01 0.00 0.06 0.08 -0.57 0.00 0.00 179.45 179.03 2kru s VAL 17 N -3.17 5.03 0.10 0.50 1.01 -0.72 -5.01 120.40 118.14 2kru s VAL 17 Ca 0.09 1.38 -0.36 0.00 0.00 0.00 0.00 61.98 63.09 2kru s VAL 17 Cb 0.10 -4.01 -0.16 0.00 0.00 0.00 0.00 36.38 32.31 2kru s VAL 17 CO 0.59 0.29 1.33 -2.65 0.00 0.00 0.00 175.10 174.65 2kru n PRO 18 N 3.58 1.19 0.28 2.72 -0.02 -1.26 -4.74 135.00 136.75 2kru n PRO 18 Ca -0.03 0.43 0.19 0.00 -2.02 0.00 0.00 63.50 62.07 2kru n PRO 18 Cb 0.51 -2.06 0.91 0.00 -0.02 0.00 0.00 33.50 32.84 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 4.47 0.00 0.76 6.00 -0.00 -1.92 0.92 116.94 127.17 2kru h PHE 19 Ca -0.47 0.00 -0.04 0.00 -0.00 0.00 0.00 57.97 57.46 2kru h PHE 19 Cb 1.33 0.00 0.01 0.00 -0.00 0.00 0.00 35.95 37.29 2kru h PHE 19 CO 0.59 0.00 -0.36 0.74 -0.00 0.00 0.00 178.31 179.28 2kru h PHE 20 N 0.00 -0.94 0.00 6.09 0.04 -2.02 -3.24 116.94 116.87 2kru h PHE 20 Ca 0.00 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.75 2kru h PHE 20 Cb 0.20 0.31 0.00 0.00 2.20 0.00 0.00 35.95 38.66 2kru h PHE 20 CO 0.00 -0.57 -0.16 1.33 -0.60 0.00 0.00 178.31 178.31 2kru n VAL 21 N -5.47 0.36 -0.25 -0.55 0.24 -0.89 -3.73 118.33 108.04 2kru n VAL 21 Ca -0.13 -0.19 0.10 0.00 -2.04 0.00 0.00 64.34 62.08 2kru n VAL 21 Cb 0.41 -0.41 0.37 0.00 -1.47 0.00 0.00 33.84 32.74 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 0.70 -0.75 7.34 2.43 -0.86 0.03 114.38 123.28 2kru h ARG 22 Ca 0.00 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 2kru h ARG 22 Cb 0.66 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 30.02 2kru h ARG 22 CO 0.00 0.46 0.37 0.87 -1.51 0.00 0.00 179.97 180.16 2kru h LYS 23 N 0.72 1.06 0.03 0.20 1.57 -1.69 0.18 116.57 118.63 2kru h LYS 23 Ca 0.41 -0.14 -0.24 0.00 -1.87 0.00 0.00 60.65 58.81 2kru h LYS 23 Cb 0.58 -0.20 0.01 0.00 0.08 0.00 0.00 32.23 32.70 2kru h LYS 23 CO -0.17 0.81 -1.01 0.87 -0.57 0.00 0.00 179.45 179.38 2kru h LYS 24 N 1.06 0.42 -0.39 3.15 6.56 -1.30 -2.04 116.57 124.03 2kru h LYS 24 Ca 0.26 -0.49 -0.03 0.00 -1.06 0.00 0.00 60.65 59.33 2kru h LYS 24 Cb 0.09 0.15 -0.02 0.00 -0.57 0.00 0.00 32.23 31.88 2kru h LYS 24 CO -0.04 1.15 0.14 0.28 -2.06 0.00 0.00 179.45 178.93 2kru h VAL 25 N 0.22 1.20 -0.63 0.50 2.07 -0.75 -0.14 116.25 118.72 2kru h VAL 25 Ca -0.10 -0.64 0.02 0.00 0.82 0.00 0.00 66.70 66.81 2kru h VAL 25 Cb 1.66 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 32.29 2kru h VAL 25 CO 0.18 0.23 0.40 -0.09 0.02 0.00 0.00 177.57 178.30 2kru h ARG 26 N 0.48 0.78 -0.60 1.57 1.12 -0.66 -0.55 114.38 116.52 2kru h ARG 26 Ca 0.13 -0.05 -0.05 0.00 -1.11 0.00 0.00 59.98 58.90 2kru h ARG 26 Cb 0.21 -0.18 -0.03 0.00 -0.01 0.00 0.00 29.97 29.97 2kru h ARG 26 CO -0.01 0.52 0.16 -0.22 -3.11 0.00 0.00 179.97 177.31 2kru h LYS 27 N 0.80 0.91 -0.49 0.20 3.64 -1.14 0.17 116.57 120.67 2kru h LYS 27 Ca 0.24 -0.19 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 2kru h LYS 27 Cb -0.03 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.63 2kru h LYS 27 CO -0.08 0.80 0.15 -0.91 -2.27 0.00 0.00 179.45 177.14 2kru h ASN 28 N 0.88 0.71 0.24 4.20 2.35 -0.20 -2.35 115.58 121.41 2kru h ASN 28 Ca 0.19 -0.21 -0.11 0.00 -0.55 0.00 0.00 56.30 55.62 2kru h ASN 28 Cb 0.29 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 2kru h ASN 28 CO -0.00 0.74 -0.44 0.71 -1.65 0.00 0.00 177.43 176.78 2kru h THR 29 N 0.66 1.32 -0.69 2.81 1.35 -0.79 -2.18 112.91 115.38 2kru h THR 29 Ca 0.16 -1.59 0.11 0.00 -0.55 0.00 0.00 66.41 64.54 2kru h THR 29 Cb 0.28 1.72 -0.08 0.00 -1.73 0.00 0.00 68.15 68.35 2kru h THR 29 CO -0.00 0.47 0.30 0.44 -0.25 0.00 0.00 175.52 176.48 2kru h ASP 30 N 0.21 0.34 -0.25 5.36 5.19 -0.28 0.41 116.42 127.41 2kru h ASP 30 Ca 0.02 0.08 -0.17 0.00 -0.62 0.00 0.00 57.03 56.34 2kru h ASP 30 Cb 0.86 0.04 -0.00 0.00 0.18 0.00 0.00 39.33 40.40 2kru h ASP 30 CO 0.07 0.18 -0.47 0.78 -3.12 0.00 0.00 179.24 176.68 2kru h ASN 31 N 0.50 0.89 -0.07 6.45 2.35 -1.19 -3.15 115.58 121.36 2kru h ASN 31 Ca 0.36 -0.44 -0.11 0.00 -0.55 0.00 0.00 56.30 55.56 2kru h ASN 31 Cb 0.45 -0.25 0.01 0.00 0.05 0.00 0.00 38.32 38.57 2kru h ASN 31 CO -0.32 1.21 -0.39 0.22 -1.65 0.00 0.00 177.43 176.51 2kru h TYR 32 N 0.65 0.52 -0.87 1.19 3.20 -0.65 -2.42 116.97 118.58 2kru h TYR 32 Ca 0.03 -0.23 -0.00 0.00 3.14 0.00 0.00 58.73 61.67 2kru h TYR 32 Cb 1.05 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 39.20 2kru h TYR 32 CO 0.06 0.99 0.54 0.00 -1.64 0.00 0.00 178.16 178.11 2kru h ALA 33 N 0.42 1.11 0.00 1.82 0.00 -0.32 -0.48 119.26 121.82 2kru h ALA 33 Ca -0.03 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 2kru h ALA 33 Cb 1.05 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2kru h ALA 33 CO 0.08 0.56 -0.34 -0.09 0.00 0.00 0.00 179.25 179.46 2kru h ARG 34 N 1.20 0.00 -0.01 0.00 2.43 -1.60 0.23 114.38 116.63 2kru h ARG 34 Ca 0.31 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 59.27 2kru h ARG 34 Cb -0.06 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.48 2kru h ARG 34 CO -0.06 0.34 -0.89 1.49 -1.51 0.00 0.00 179.97 179.34 2kru h GLU 35 N 0.00 0.33 -0.01 0.20 4.81 -0.69 -2.98 114.58 116.24 2kru h GLU 35 Ca -0.00 -0.35 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 2kru h GLU 35 Cb 0.98 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.45 2kru h GLU 35 CO 0.04 1.03 -0.16 0.44 -0.73 0.00 0.00 179.01 179.64 2kru n ILE 36 N -3.73 0.00 -2.61 2.32 -5.35 -0.31 -4.94 119.36 104.74 2kru n ILE 36 Ca -0.05 -0.15 -0.04 0.00 -0.27 0.00 0.00 62.75 62.24 2kru n ILE 36 Cb 0.81 0.32 0.01 0.00 -1.74 0.00 0.00 39.64 39.04 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 1.28 0.62 2.91 3.28 0.00 -0.86 -5.04 105.19 107.38 2kru n GLY 37 Ca 0.15 -0.54 -0.29 0.00 0.00 0.00 0.00 46.02 45.33 2kru n GLY 37 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kru s GLU 38 N -5.09 1.53 0.20 1.61 2.56 0.74 -4.99 118.70 115.26 2kru s GLU 38 Ca 0.09 -0.76 0.26 0.00 0.00 0.00 0.00 54.97 54.56 2kru s GLU 38 Cb -0.04 -2.33 0.87 0.00 2.00 0.00 0.00 34.13 34.63 2kru s GLU 38 CO 0.11 -0.52 1.77 -2.30 -0.56 0.00 0.00 175.26 173.76 2kru n PRO 39 N 4.78 0.23 -3.78 4.30 -0.02 -1.26 -4.16 135.00 135.07 2kru n PRO 39 Ca -0.12 0.23 -0.37 0.00 -2.02 0.00 0.00 63.50 61.22 2kru n PRO 39 Cb 0.46 -1.79 -0.13 0.00 -0.02 0.00 0.00 33.50 32.02 2kru n PRO 39 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2kru s VAL 40 N -3.13 3.69 -0.66 -1.45 1.01 -1.26 -0.01 120.40 118.59 2kru s VAL 40 Ca 0.10 -1.02 -0.26 0.00 0.00 0.00 0.00 61.98 60.80 2kru s VAL 40 Cb 0.12 -3.02 0.04 0.00 0.00 0.00 0.00 36.38 33.52 2kru s VAL 40 CO 0.55 -0.07 1.14 -0.69 0.00 0.00 0.00 175.10 176.04 2kru s VAL 41 N 1.41 4.02 0.70 2.92 1.01 0.50 -4.90 120.40 126.06 2kru s VAL 41 Ca -0.01 0.29 -0.00 0.00 0.00 0.00 0.00 61.98 62.27 2kru s VAL 41 Cb -0.19 -4.77 0.12 0.00 0.00 0.00 0.00 36.38 31.54 2kru s VAL 41 CO 0.02 -1.56 0.97 0.42 0.00 0.00 0.00 175.10 174.95 2kru s THR 42 N 4.93 2.18 0.41 3.92 -4.23 -1.26 -0.81 115.64 120.77 2kru s THR 42 Ca 0.33 -0.62 0.08 0.00 -1.18 0.00 0.00 61.69 60.30 2kru s THR 42 Cb -0.11 -2.56 0.28 0.00 1.34 0.00 0.00 72.50 71.45 2kru s THR 42 CO 0.16 0.00 2.04 0.00 -0.54 0.00 0.00 174.62 176.28 2kru h ALA 43 N -0.45 1.76 -0.23 3.99 0.00 -1.92 -0.60 119.26 121.81 2kru h ALA 43 Ca -0.36 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.38 2kru h ALA 43 Cb 1.27 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 2kru h ALA 43 CO 0.41 0.19 -0.39 0.22 0.00 0.00 0.00 179.25 179.68 2kru h ASP 44 N 0.54 0.75 -0.59 0.00 3.58 -1.98 -1.87 116.42 116.85 2kru h ASP 44 Ca 0.18 -0.53 -0.03 0.00 0.42 0.00 0.00 57.03 57.07 2kru h ASP 44 Cb 0.06 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 40.87 2kru h ASP 44 CO -0.04 1.13 0.26 0.58 -2.88 0.00 0.00 179.24 178.29 2kru h VAL 45 N 0.39 1.22 -0.61 2.25 2.07 -1.81 -0.52 116.25 119.24 2kru h VAL 45 Ca 0.02 -0.66 -0.05 0.00 0.82 0.00 0.00 66.70 66.83 2kru h VAL 45 Cb 0.99 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 2kru h VAL 45 CO 0.09 0.27 0.17 0.15 0.02 0.00 0.00 177.57 178.27 2kru h PHE 46 N 0.89 0.95 -0.34 1.57 3.57 -0.96 0.79 116.94 123.40 2kru h PHE 46 Ca 0.21 -0.09 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 2kru h PHE 46 Cb 0.15 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 2kru h PHE 46 CO 0.01 0.77 0.10 0.00 -2.23 0.00 0.00 178.31 176.97 2kru h ARG 47 N 0.89 0.54 -0.82 1.11 3.08 -0.58 -2.41 114.38 116.19 2kru h ARG 47 Ca 0.20 -0.12 0.03 0.00 0.07 0.00 0.00 59.98 60.16 2kru h ARG 47 Cb 0.28 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.21 2kru h ARG 47 CO -0.01 0.58 0.53 0.87 -1.07 0.00 0.00 179.97 180.87 2kru h LYS 48 N 0.40 1.01 0.14 0.04 1.57 -0.63 -1.51 116.57 117.59 2kru h LYS 48 Ca 0.11 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2kru h LYS 48 Cb 0.27 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 2kru h LYS 48 CO -0.00 0.67 -0.14 0.00 -0.57 0.00 0.00 179.45 179.41 2kru h ALA 49 N 1.34 -0.27 0.00 3.86 0.00 -0.64 0.11 119.26 123.65 2kru h ALA 49 Ca 0.32 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 2kru h ALA 49 Cb -0.02 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2kru h ALA 49 CO -0.11 -0.67 -0.21 0.87 0.00 0.00 0.00 179.25 179.13 2kru h LYS 50 N -0.31 0.00 0.05 0.00 1.57 -1.25 0.13 116.57 116.76 2kru h LYS 50 Ca 0.01 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2kru h LYS 50 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 2kru h LYS 50 CO -0.04 0.21 -0.02 1.49 -0.57 0.00 0.00 179.45 180.52 2kru h GLU 51 N 0.00 -0.06 -0.00 3.15 4.81 -0.68 -1.52 114.58 120.27 2kru h GLU 51 Ca -0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2kru h GLU 51 Cb 0.41 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.80 2kru h GLU 51 CO 0.03 0.47 -0.00 1.25 -0.73 0.00 0.00 179.01 180.02 2kru h HIS 52 N -0.63 0.01 -0.00 0.92 2.76 -0.60 -3.30 115.15 114.31 2kru h HIS 52 Ca -0.01 -0.00 -0.19 0.00 -2.20 0.00 0.00 60.37 57.97 2kru h HIS 52 Cb 0.56 -0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.50 2kru h HIS 52 CO 0.11 0.56 -0.85 -0.07 -1.30 0.00 0.00 177.93 176.38 2kru h LEU 53 N -0.54 0.19 0.00 0.26 3.38 -0.89 -3.48 115.31 114.23 2kru h LEU 53 Ca 0.00 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2kru h LEU 53 Cb 0.55 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2kru h LEU 53 CO 0.00 0.95 0.00 0.61 0.09 0.00 0.00 178.44 180.09 2kru n GLY 54 N 0.82 1.83 4.78 0.83 0.00 -0.57 -4.89 105.19 107.99 2kru n GLY 54 Ca -0.03 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 1.58 3.75 -0.02 0.00 -1.26 -4.84 105.19 104.39 2kru n GLY 55 Ca 0.00 -0.05 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 2kru n GLY 55 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kru s LEU 56 N 0.00 4.23 0.95 0.99 1.98 -1.26 -5.09 118.68 120.48 2kru s LEU 56 Ca 0.00 0.29 -0.12 0.00 -2.89 0.00 0.00 54.13 51.41 2kru s LEU 56 Cb 0.00 -2.13 0.16 0.00 0.66 0.00 0.00 46.19 44.88 2kru s LEU 56 CO 0.00 0.19 1.11 -1.83 -1.89 0.00 0.00 176.35 173.94 2kru s GLU 57 N 0.22 0.84 -1.35 1.98 -1.05 -1.26 -3.88 118.70 114.21 2kru s GLU 57 Ca 0.10 0.42 -0.04 0.00 -0.15 0.00 0.00 54.97 55.30 2kru s GLU 57 Cb -0.11 -1.79 0.00 0.00 -0.44 0.00 0.00 34.13 31.79 2kru s GLU 57 CO -0.01 -2.43 0.52 0.72 0.95 0.00 0.00 175.26 175.01 2kru n HIS 58 N -3.95 -1.68 0.21 4.83 8.25 -1.26 -4.89 115.22 116.73 2kru n HIS 58 Ca 0.06 0.44 0.06 0.00 -0.26 0.00 0.00 57.72 58.02 2kru n HIS 58 Cb 0.58 -4.02 0.55 0.00 1.12 0.00 0.00 29.99 28.22 2kru n HIS 58 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2kru h HIS 59 N -1.18 0.07 -2.48 4.41 2.76 -2.00 -3.39 115.15 113.34 2kru h HIS 59 Ca -0.46 -0.00 -0.53 0.00 -2.20 0.00 0.00 60.37 57.18 2kru h HIS 59 Cb 1.32 -0.02 -0.05 0.00 1.55 0.00 0.00 27.41 30.20 2kru h HIS 59 CO 0.45 0.12 1.18 -3.38 -1.30 0.00 0.00 177.93 175.01 2kru s HIS 60 N -4.93 2.06 -0.01 5.26 -3.43 -1.26 -4.95 115.29 108.02 2kru s HIS 60 Ca -0.05 0.49 -0.04 0.00 -0.80 0.00 0.00 55.06 54.66 2kru s HIS 60 Cb 0.16 -4.32 0.00 0.00 -1.43 0.00 0.00 32.58 27.00 2kru s HIS 60 CO 0.69 -2.17 0.09 -1.01 -2.00 0.00 0.00 174.74 170.34 2kru s HIS 61 N 6.97 0.01 0.00 0.38 3.76 -1.26 -5.04 115.29 120.11 2kru s HIS 61 Ca 0.56 -0.02 0.00 0.00 -0.15 0.00 0.00 55.06 55.45 2kru s HIS 61 Cb -0.12 -0.04 0.00 0.00 1.11 0.00 0.00 32.58 33.54 2kru s HIS 61 CO 0.23 -0.16 0.00 1.58 -0.85 0.00 0.00 174.74 175.53 2kru n HIS 62 N 2.19 0.00 -0.27 1.40 -0.00 -1.26 -5.28 115.22 111.99 2kru n HIS 62 Ca -0.18 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.00 2kru n HIS 62 Cb 0.57 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.44 2kru n HIS 62 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52