#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 1.97 2.65 -5.12 0.00 -1.26 -4.95 105.19 98.48 2kru n GLY 2 Ca 0.00 -0.42 -0.23 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.17 0.23 0.32 1.61 1.03 -1.26 -4.86 118.70 114.60 2kru s GLU 3 Ca 0.12 -0.28 -0.05 0.00 0.03 0.00 0.00 54.97 54.78 2kru s GLU 3 Cb 0.10 -1.00 0.08 0.00 -0.80 0.00 0.00 34.13 32.51 2kru s GLU 3 CO 0.01 -0.97 0.28 1.28 -1.33 0.00 0.00 175.26 174.53 2kru n LEU 4 N 5.28 0.00 -4.55 1.83 4.77 -1.26 -4.89 117.00 118.18 2kru n LEU 4 Ca -0.04 -0.30 -0.40 0.00 -0.03 0.00 0.00 56.01 55.24 2kru n LEU 4 Cb 0.45 -0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 2kru n LEU 4 CO 0.03 -1.32 1.31 -0.44 -1.33 0.00 0.00 177.39 175.65 2kru s SER 5 N -2.27 5.88 -0.22 -1.43 0.01 -0.76 -4.85 113.70 110.06 2kru s SER 5 Ca 0.18 -0.22 -0.20 0.00 1.31 0.00 0.00 55.95 57.02 2kru s SER 5 Cb -0.02 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.64 2kru s SER 5 CO 0.14 -2.01 0.59 0.26 0.41 0.00 0.00 173.24 172.63 2kru s TRP 6 N 6.80 3.34 0.72 2.43 0.52 -1.26 0.54 118.94 132.03 2kru s TRP 6 Ca 0.45 0.84 -0.03 0.00 0.02 0.00 0.00 56.10 57.38 2kru s TRP 6 Cb -0.09 -2.77 0.11 0.00 -1.15 0.00 0.00 33.47 29.57 2kru s TRP 6 CO 0.16 -0.20 1.00 0.95 0.02 0.00 0.00 176.95 178.88 2kru s THR 7 N 2.02 2.22 0.24 2.01 -4.23 -1.14 -4.91 115.64 111.84 2kru s THR 7 Ca 0.26 -0.50 -0.05 0.00 -1.18 0.00 0.00 61.69 60.22 2kru s THR 7 Cb -0.16 -2.71 0.15 0.00 1.34 0.00 0.00 72.50 71.12 2kru s THR 7 CO 0.10 0.00 1.79 0.00 -0.54 0.00 0.00 174.62 175.97 2kru h ALA 8 N -0.57 1.10 -0.72 3.99 0.00 -1.97 -1.93 119.26 119.16 2kru h ALA 8 Ca -0.39 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.37 2kru h ALA 8 Cb 1.27 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 2kru h ALA 8 CO 0.44 0.62 0.42 0.93 0.00 0.00 0.00 179.25 181.67 2kru h GLU 9 N 1.03 0.76 -0.15 0.00 3.07 -1.94 -1.26 114.58 116.10 2kru h GLU 9 Ca 0.23 -0.05 -0.10 0.00 -0.50 0.00 0.00 59.36 58.94 2kru h GLU 9 Cb 0.26 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.00 2kru h GLU 9 CO -0.01 0.50 -0.31 0.00 -1.40 0.00 0.00 179.01 177.79 2kru h ALA 10 N 1.35 0.24 -0.98 3.43 0.00 -1.74 -3.09 119.26 118.47 2kru h ALA 10 Ca 0.32 -0.41 0.06 0.00 0.00 0.00 0.00 54.91 54.87 2kru h ALA 10 Cb 0.16 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 2kru h ALA 10 CO -0.17 0.26 0.64 0.93 0.00 0.00 0.00 179.25 180.91 2kru h GLU 11 N 0.08 1.13 -0.34 0.00 4.39 -0.99 0.11 114.58 118.96 2kru h GLU 11 Ca 0.00 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 2kru h GLU 11 Cb 0.90 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 29.28 2kru h GLU 11 CO 0.07 0.75 0.15 0.87 -1.16 0.00 0.00 179.01 179.68 2kru h LYS 12 N 1.16 0.50 0.00 2.33 1.79 -1.24 0.27 116.57 121.38 2kru h LYS 12 Ca 0.42 -0.08 -0.12 0.00 -2.18 0.00 0.00 60.65 58.69 2kru h LYS 12 Cb 0.15 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.70 2kru h LYS 12 CO -0.16 0.48 -0.56 0.52 -1.08 0.00 0.00 179.45 178.65 2kru h MET 13 N 0.40 0.00 0.00 3.15 2.86 -1.36 -2.87 114.93 117.12 2kru h MET 13 Ca 0.11 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.61 2kru h MET 13 Cb 0.16 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 2kru h MET 13 CO -0.01 0.56 -0.68 1.25 1.06 0.00 0.00 176.91 179.09 2kru h LEU 14 N 0.00 0.00 -1.43 1.22 5.85 -0.57 -3.18 115.31 117.20 2kru h LEU 14 Ca -0.01 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 2kru h LEU 14 Cb 1.22 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 2kru h LEU 14 CO 0.07 0.68 -0.28 1.23 -0.34 0.00 0.00 178.44 179.81 2kru h GLY 15 N 2.88 0.00 1.83 3.75 0.00 -0.24 -2.19 103.07 109.11 2kru h GLY 15 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 2kru h GLY 15 CO 0.09 0.00 -0.23 0.50 0.00 0.00 0.00 176.54 176.90 2kru h LYS 16 N 0.00 0.21 -6.38 4.80 1.57 -1.51 -3.42 116.57 111.83 2kru h LYS 16 Ca -0.00 -0.06 -0.54 0.00 -1.87 0.00 0.00 60.65 58.17 2kru h LYS 16 Cb 0.56 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 2kru h LYS 16 CO 0.04 0.44 0.69 0.08 -0.57 0.00 0.00 179.45 180.13 2kru s VAL 17 N -4.51 4.03 0.14 0.50 1.01 -0.82 -4.95 120.40 115.79 2kru s VAL 17 Ca -0.05 1.41 -0.35 0.00 0.00 0.00 0.00 61.98 62.99 2kru s VAL 17 Cb 0.15 -3.90 -0.15 0.00 0.00 0.00 0.00 36.38 32.47 2kru s VAL 17 CO 0.74 0.03 1.38 -0.81 0.00 0.00 0.00 175.10 176.45 2kru n PRO 18 N 4.85 1.52 0.07 2.72 -0.04 -1.26 -4.57 135.00 138.29 2kru n PRO 18 Ca 0.11 0.55 0.05 0.00 -0.04 0.00 0.00 63.50 64.17 2kru n PRO 18 Cb 0.45 -2.20 0.27 0.00 -0.04 0.00 0.00 33.50 31.98 2kru n PRO 18 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 2kru n PHE 19 N 2.53 0.33 -0.18 0.54 -1.74 -1.26 -0.24 117.46 117.43 2kru n PHE 19 Ca 0.17 0.17 -0.09 0.00 -0.56 0.00 0.00 57.45 57.14 2kru n PHE 19 Cb 0.24 -0.77 0.01 0.00 1.52 0.00 0.00 39.48 40.48 2kru n PHE 19 CO 0.00 0.00 0.00 0.74 -0.56 0.00 0.00 176.76 176.94 2kru h PHE 20 N 0.00 0.95 -0.01 2.97 0.04 -2.02 -3.26 116.94 115.61 2kru h PHE 20 Ca 0.00 -0.14 0.00 0.00 2.80 0.00 0.00 57.97 60.63 2kru h PHE 20 Cb 0.01 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 37.90 2kru h PHE 20 CO 0.00 0.86 -0.17 1.33 -0.60 0.00 0.00 178.31 179.73 2kru n VAL 21 N -4.36 0.00 -0.19 -0.55 0.24 -0.18 -4.50 118.33 108.79 2kru n VAL 21 Ca 0.02 -0.41 0.06 0.00 -2.04 0.00 0.00 64.34 61.96 2kru n VAL 21 Cb 0.28 1.12 0.34 0.00 -1.47 0.00 0.00 33.84 34.11 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 1.10 0.75 -0.85 7.34 2.43 -0.65 0.08 114.38 124.58 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 0.32 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.66 2kru h ARG 22 CO 0.00 0.50 0.40 0.87 -1.51 0.00 0.00 179.97 180.23 2kru h LYS 23 N 0.77 1.23 0.21 0.20 1.57 -1.79 -0.28 116.57 118.49 2kru h LYS 23 Ca 0.32 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 2kru h LYS 23 Cb 0.26 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.35 2kru h LYS 23 CO -0.11 0.95 -0.10 -0.22 -0.57 0.00 0.00 179.45 179.40 2kru h LYS 24 N 1.22 -0.27 -0.73 3.15 3.64 -1.34 -2.90 116.57 119.33 2kru h LYS 24 Ca 0.29 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.71 2kru h LYS 24 Cb 0.13 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.97 2kru h LYS 24 CO -0.04 0.06 0.48 0.28 -2.27 0.00 0.00 179.45 177.96 2kru h VAL 25 N -0.64 1.15 -0.72 2.00 2.07 -1.01 -1.14 116.25 117.96 2kru h VAL 25 Ca -0.03 -0.33 0.06 0.00 0.82 0.00 0.00 66.70 67.22 2kru h VAL 25 Cb 0.46 0.11 -0.06 0.00 -1.52 0.00 0.00 31.29 30.29 2kru h VAL 25 CO 0.05 0.17 0.42 -0.09 0.02 0.00 0.00 177.57 178.14 2kru h ARG 26 N 0.95 0.75 -0.15 1.57 2.43 -1.07 -0.34 114.38 118.52 2kru h ARG 26 Ca 0.28 -0.05 -0.15 0.00 -0.81 0.00 0.00 59.98 59.25 2kru h ARG 26 Cb -0.06 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.31 2kru h ARG 26 CO -0.08 0.50 -0.55 -0.22 -1.51 0.00 0.00 179.97 178.10 2kru h LYS 27 N 0.77 0.45 -0.77 0.20 3.64 -1.22 -2.56 116.57 117.08 2kru h LYS 27 Ca 0.32 -0.28 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 2kru h LYS 27 Cb 0.18 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 2kru h LYS 27 CO -0.18 0.89 0.29 -0.91 -2.27 0.00 0.00 179.45 177.27 2kru h ASN 28 N 0.34 1.06 0.12 4.20 2.35 -0.09 -2.33 115.58 121.24 2kru h ASN 28 Ca 0.00 -0.17 -0.11 0.00 -0.55 0.00 0.00 56.30 55.47 2kru h ASN 28 Cb 1.08 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 39.16 2kru h ASN 28 CO 0.10 0.95 -0.39 0.71 -1.65 0.00 0.00 177.43 177.15 2kru h THR 29 N 1.12 1.30 -0.44 2.81 1.35 -1.02 -0.04 112.91 118.00 2kru h THR 29 Ca 0.25 -1.52 0.03 0.00 -0.55 0.00 0.00 66.41 64.62 2kru h THR 29 Cb 0.23 1.61 -0.03 0.00 -1.73 0.00 0.00 68.15 68.23 2kru h THR 29 CO -0.02 0.46 0.24 -0.78 -0.25 0.00 0.00 175.52 175.18 2kru h ASP 30 N 0.31 0.38 0.41 5.36 3.58 -1.01 0.38 116.42 125.82 2kru h ASP 30 Ca 0.03 0.01 -0.11 0.00 0.42 0.00 0.00 57.03 57.38 2kru h ASP 30 Cb 0.83 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.80 2kru h ASP 30 CO 0.07 0.27 -0.48 0.78 -2.88 0.00 0.00 179.24 176.99 2kru h ASN 31 N 0.49 0.10 -0.06 2.28 2.35 -1.23 -2.00 115.58 117.50 2kru h ASN 31 Ca 0.18 -0.05 -0.06 0.00 -0.55 0.00 0.00 56.30 55.82 2kru h ASN 31 Cb 0.04 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.39 2kru h ASN 31 CO -0.10 0.57 -0.21 0.22 -1.65 0.00 0.00 177.43 176.26 2kru h TYR 32 N 0.07 0.32 -0.52 1.19 3.20 -0.04 0.22 116.97 121.41 2kru h TYR 32 Ca 0.00 -0.13 -0.02 0.00 3.14 0.00 0.00 58.73 61.72 2kru h TYR 32 Cb 0.89 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 39.08 2kru h TYR 32 CO 0.01 0.83 0.24 0.00 -1.64 0.00 0.00 178.16 177.60 2kru h ALA 33 N 0.42 0.67 -0.60 1.82 0.00 -0.29 -1.64 119.26 119.64 2kru h ALA 33 Ca -0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2kru h ALA 33 Cb 0.85 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 2kru h ALA 33 CO 0.04 0.25 0.32 0.00 0.00 0.00 0.00 179.25 179.86 2kru h ARG 34 N 0.70 0.83 -0.23 0.00 3.08 -1.37 0.54 114.38 117.92 2kru h ARG 34 Ca 0.18 -0.09 -0.06 0.00 0.07 0.00 0.00 59.98 60.08 2kru h ARG 34 Cb 0.15 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 2kru h ARG 34 CO -0.02 0.62 -0.11 1.49 -1.07 0.00 0.00 179.97 180.88 2kru h GLU 35 N 0.84 0.37 -0.03 0.04 4.81 -0.06 -2.61 114.58 117.95 2kru h GLU 35 Ca 0.21 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 2kru h GLU 35 Cb 0.04 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2kru h GLU 35 CO -0.03 0.49 -0.10 0.44 -0.73 0.00 0.00 179.01 179.08 2kru n ILE 36 N -4.25 0.00 -1.75 2.32 -5.35 -0.72 -4.97 119.36 104.64 2kru n ILE 36 Ca 0.00 -0.45 0.00 0.00 -0.27 0.00 0.00 62.75 62.03 2kru n ILE 36 Cb 0.29 1.44 0.00 0.00 -1.74 0.00 0.00 39.64 39.63 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 1.34 0.83 3.27 3.28 0.00 -0.07 -5.06 105.19 108.78 2kru n GLY 37 Ca 0.13 -0.62 -0.36 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 -3.61 2.90 0.00 1.61 0.41 0.17 -4.95 118.70 115.23 2kru s GLU 38 Ca 0.00 -0.96 0.28 0.00 -0.41 0.00 0.00 54.97 53.88 2kru s GLU 38 Cb 0.00 -3.21 1.29 0.00 -1.78 0.00 0.00 34.13 30.43 2kru s GLU 38 CO 0.00 -0.46 1.93 -0.35 -0.49 0.00 0.00 175.26 175.89 2kru n PRO 39 N 4.76 0.16 -5.06 0.39 -0.04 -1.26 -3.80 135.00 130.15 2kru n PRO 39 Ca -0.15 0.02 -0.31 0.00 -0.04 0.00 0.00 63.50 63.02 2kru n PRO 39 Cb 0.47 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 32.26 2kru n PRO 39 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2kru s VAL 40 N -2.83 1.97 -0.68 0.52 1.01 -1.26 -1.84 120.40 117.29 2kru s VAL 40 Ca 0.19 -0.96 -0.17 0.00 0.00 0.00 0.00 61.98 61.04 2kru s VAL 40 Cb 0.19 -1.72 0.15 0.00 0.00 0.00 0.00 36.38 35.00 2kru s VAL 40 CO 0.48 0.54 0.71 -0.69 0.00 0.00 0.00 175.10 176.14 2kru s VAL 41 N 0.46 5.15 0.64 2.92 1.01 0.19 -4.91 120.40 125.85 2kru s VAL 41 Ca -0.16 -1.63 0.03 0.00 0.00 0.00 0.00 61.98 60.22 2kru s VAL 41 Cb -0.17 -4.48 0.12 0.00 0.00 0.00 0.00 36.38 31.85 2kru s VAL 41 CO 0.07 -1.07 0.88 0.35 0.00 0.00 0.00 175.10 175.32 2kru n THR 42 N 5.00 0.00 0.13 3.92 -2.24 -1.26 -2.86 114.28 116.97 2kru n THR 42 Ca -0.00 -1.59 0.03 0.00 -2.27 0.00 0.00 64.05 60.22 2kru n THR 42 Cb 0.44 -0.80 0.41 0.00 -2.10 0.00 0.00 70.33 68.27 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 -0.36 1.54 0.21 6.98 0.00 -1.95 0.86 119.26 126.54 2kru h ALA 43 Ca -0.29 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 2kru h ALA 43 Cb 1.15 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2kru h ALA 43 CO 0.34 0.33 -0.11 0.22 0.00 0.00 0.00 179.25 180.04 2kru h ASP 44 N 0.20 -0.25 -0.40 0.00 3.58 -1.98 -0.02 116.42 117.54 2kru h ASP 44 Ca 0.04 0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.46 2kru h ASP 44 Cb 0.36 0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.46 2kru h ASP 44 CO 0.02 -0.18 0.10 0.58 -2.88 0.00 0.00 179.24 176.88 2kru h VAL 45 N -0.29 1.23 -0.46 2.25 2.07 -1.80 -0.07 116.25 119.18 2kru h VAL 45 Ca -0.03 -0.79 -0.11 0.00 0.82 0.00 0.00 66.70 66.59 2kru h VAL 45 Cb 0.23 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 2kru h VAL 45 CO 0.04 0.28 -0.16 0.15 0.02 0.00 0.00 177.57 177.89 2kru h PHE 46 N 0.51 1.00 -0.33 1.57 3.57 -0.79 0.30 116.94 122.77 2kru h PHE 46 Ca 0.13 -0.21 -0.16 0.00 3.53 0.00 0.00 57.97 61.25 2kru h PHE 46 Cb 0.31 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 2kru h PHE 46 CO 0.02 0.98 -0.44 -0.09 -2.23 0.00 0.00 178.31 176.55 2kru h ARG 47 N 0.78 0.85 -0.20 1.11 2.43 -0.93 -2.45 114.38 115.97 2kru h ARG 47 Ca 0.12 -0.47 -0.07 0.00 -0.81 0.00 0.00 59.98 58.74 2kru h ARG 47 Cb 0.70 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.26 2kru h ARG 47 CO 0.05 1.11 -0.20 -0.22 -1.51 0.00 0.00 179.97 179.20 2kru h LYS 48 N 0.68 0.36 -0.18 0.20 3.64 -0.60 -1.84 116.57 118.83 2kru h LYS 48 Ca 0.04 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 2kru h LYS 48 Cb 1.02 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.80 2kru h LYS 48 CO 0.10 0.55 0.03 0.00 -2.27 0.00 0.00 179.45 177.86 2kru h ALA 49 N 1.47 0.24 -0.58 5.00 0.00 -0.26 -0.15 119.26 124.98 2kru h ALA 49 Ca 0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2kru h ALA 49 Cb 0.54 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2kru h ALA 49 CO 0.04 -0.10 0.30 0.87 0.00 0.00 0.00 179.25 180.36 2kru h LYS 50 N 0.08 0.80 -0.56 0.00 1.57 -1.16 0.42 116.57 117.72 2kru h LYS 50 Ca 0.05 -0.09 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 2kru h LYS 50 Cb 0.30 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 2kru h LYS 50 CO 0.00 0.60 0.14 1.49 -0.57 0.00 0.00 179.45 181.11 2kru h GLU 51 N 0.80 0.89 -0.07 3.15 4.81 -1.14 0.66 114.58 123.69 2kru h GLU 51 Ca 0.20 -0.21 -0.17 0.00 -0.13 0.00 0.00 59.36 59.05 2kru h GLU 51 Cb 0.04 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 2kru h GLU 51 CO -0.03 0.83 -0.70 1.25 -0.73 0.00 0.00 179.01 179.63 2kru h HIS 52 N 0.79 0.42 0.06 0.92 2.76 0.16 -3.31 115.15 116.97 2kru h HIS 52 Ca 0.18 -0.18 -0.00 0.00 -2.20 0.00 0.00 60.37 58.16 2kru h HIS 52 Cb 0.34 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.23 2kru h HIS 52 CO 0.02 0.91 -0.03 -0.07 -1.30 0.00 0.00 177.93 177.47 2kru h LEU 53 N 0.22 -0.07 0.00 0.26 3.38 -0.14 -3.49 115.31 115.47 2kru h LEU 53 Ca -0.02 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.40 2kru h LEU 53 Cb 1.26 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.03 2kru h LEU 53 CO 0.11 0.62 0.00 0.61 0.09 0.00 0.00 178.44 179.88 2kru n GLY 54 N 1.08 -0.07 3.61 0.83 0.00 0.09 -5.08 105.19 105.65 2kru n GLY 54 Ca -0.08 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 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 0.00 1.65 -1.17 -0.02 0.00 -0.42 -4.98 107.32 102.38 2kru s GLY 55 Ca 0.00 -0.39 -0.17 0.00 0.00 0.00 0.00 44.72 44.16 2kru s GLY 55 CO 0.00 1.90 1.46 -2.27 0.00 0.00 0.00 173.10 174.19 2kru s LEU 56 N 3.20 4.59 0.33 0.66 2.96 -1.26 -4.89 118.68 124.27 2kru s LEU 56 Ca 0.36 -2.54 0.00 0.00 -0.22 0.00 0.00 54.13 51.72 2kru s LEU 56 Cb -0.13 -2.46 0.00 0.00 0.50 0.00 0.00 46.19 44.09 2kru s LEU 56 CO 0.15 -0.98 0.00 -0.62 -1.32 0.00 0.00 176.35 173.57 2kru n GLU 57 N 6.83 -2.57 -0.99 1.98 -0.58 -1.26 -5.04 120.64 119.00 2kru n GLU 57 Ca 0.37 1.95 -0.00 0.00 -0.42 0.00 0.00 57.16 59.06 2kru n GLU 57 Cb 0.45 -2.31 0.00 0.00 -0.57 0.00 0.00 31.44 29.01 2kru n GLU 57 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 2kru n HIS 58 N -1.55 -0.04 -2.62 -0.32 -0.00 -1.26 -5.11 115.22 104.33 2kru n HIS 58 Ca 0.00 -0.04 -0.41 0.00 0.46 0.00 0.00 57.72 57.72 2kru n HIS 58 Cb 0.14 0.41 -0.03 0.00 -0.12 0.00 0.00 29.99 30.39 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 0.00 2.50 0.00 1.57 3.76 -1.26 -4.59 115.29 117.27 2kru s HIS 59 Ca 0.00 -0.55 0.00 0.00 -0.15 0.00 0.00 55.06 54.36 2kru s HIS 59 Cb 0.01 -4.60 0.00 0.00 1.11 0.00 0.00 32.58 29.10 2kru s HIS 59 CO -0.00 -1.93 0.80 0.72 -0.85 0.00 0.00 174.74 173.48 2kru n HIS 60 N 8.76 0.00 -3.64 1.40 8.25 -1.26 -5.02 115.22 123.71 2kru n HIS 60 Ca 0.17 -0.31 -0.05 0.00 -0.26 0.00 0.00 57.72 57.27 2kru n HIS 60 Cb 0.50 -0.03 -0.07 0.00 1.12 0.00 0.00 29.99 31.51 2kru n HIS 60 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2kru s HIS 61 N -0.62 -0.31 0.68 4.41 -3.43 -1.26 -5.16 115.29 109.60 2kru s HIS 61 Ca 0.00 0.71 -0.14 0.00 -0.80 0.00 0.00 55.06 54.84 2kru s HIS 61 Cb 0.00 0.37 0.01 0.00 -1.43 0.00 0.00 32.58 31.52 2kru s HIS 61 CO 0.00 -0.15 1.10 -3.38 -2.00 0.00 0.00 174.74 170.30 2kru s HIS 62 N 0.44 2.70 0.00 0.38 -3.43 -1.26 -5.13 115.29 108.98 2kru s HIS 62 Ca 0.01 1.54 0.00 0.00 -0.80 0.00 0.00 55.06 55.81 2kru s HIS 62 Cb -0.04 -3.10 0.00 0.00 -1.43 0.00 0.00 32.58 28.00 2kru s HIS 62 CO -0.11 -1.60 0.00 1.58 -2.00 0.00 0.00 174.74 172.61