#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 0.02 0.99 3.03 0.00 -1.26 -5.10 105.19 102.87 2kru n GLY 2 Ca 0.00 -0.44 0.12 0.00 0.00 0.00 0.00 46.02 45.71 2kru n GLY 2 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kru n GLU 3 N 0.00 -2.25 -3.03 1.61 -0.58 -1.26 -4.88 120.64 110.24 2kru n GLU 3 Ca 0.00 1.78 -0.39 0.00 -0.42 0.00 0.00 57.16 58.13 2kru n GLU 3 Cb 0.00 -2.65 -0.06 0.00 -0.57 0.00 0.00 31.44 28.16 2kru n GLU 3 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2kru s LEU 4 N -6.37 4.58 -0.30 -4.62 1.43 -1.26 -4.90 118.68 107.24 2kru s LEU 4 Ca 0.00 1.58 -0.14 0.00 -1.03 0.00 0.00 54.13 54.54 2kru s LEU 4 Cb 0.00 -3.23 -0.03 0.00 0.03 0.00 0.00 46.19 42.96 2kru s LEU 4 CO 0.00 0.22 0.31 -0.55 0.23 0.00 0.00 176.35 176.56 2kru s SER 5 N -1.15 6.15 -0.09 2.29 0.15 0.04 -4.93 113.70 116.17 2kru s SER 5 Ca 0.35 0.01 -0.19 0.00 0.70 0.00 0.00 55.95 56.82 2kru s SER 5 Cb -0.22 -2.18 -0.04 0.00 -1.71 0.00 0.00 66.02 61.87 2kru s SER 5 CO 0.25 -0.19 0.51 0.26 1.20 0.00 0.00 173.24 175.27 2kru s TRP 6 N 1.95 3.55 0.54 3.44 0.52 -1.26 0.13 118.94 127.81 2kru s TRP 6 Ca 0.11 0.98 -0.02 0.00 0.02 0.00 0.00 56.10 57.19 2kru s TRP 6 Cb -0.16 -2.57 0.02 0.00 -1.15 0.00 0.00 33.47 29.60 2kru s TRP 6 CO 0.11 0.21 0.80 0.95 0.02 0.00 0.00 176.95 179.03 2kru s THR 7 N 0.44 3.31 0.35 2.01 -4.23 -0.68 -4.91 115.64 111.94 2kru s THR 7 Ca 0.28 -0.41 0.03 0.00 -1.18 0.00 0.00 61.69 60.41 2kru s THR 7 Cb -0.16 -3.27 0.23 0.00 1.34 0.00 0.00 72.50 70.64 2kru s THR 7 CO 0.12 -0.22 1.98 0.00 -0.54 0.00 0.00 174.62 175.96 2kru h ALA 8 N 0.05 1.52 -0.06 3.99 0.00 -1.98 -0.44 119.26 122.35 2kru h ALA 8 Ca -0.45 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.27 2kru h ALA 8 Cb 1.27 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2kru h ALA 8 CO 0.57 0.40 -0.46 0.93 0.00 0.00 0.00 179.25 180.69 2kru h GLU 9 N 0.71 0.13 0.02 0.00 4.39 -1.94 -1.04 114.58 116.86 2kru h GLU 9 Ca 0.18 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.81 2kru h GLU 9 Cb 0.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 2kru h GLU 9 CO -0.03 0.57 -0.01 0.00 -1.16 0.00 0.00 179.01 178.38 2kru h ALA 10 N 1.42 -0.03 -0.33 3.43 0.00 -1.51 -2.81 119.26 119.43 2kru h ALA 10 Ca 0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 2kru h ALA 10 Cb 0.86 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 2kru h ALA 10 CO 0.07 -0.20 0.13 0.93 0.00 0.00 0.00 179.25 180.17 2kru h GLU 11 N -0.65 0.46 -0.29 0.00 4.39 -1.12 0.00 114.58 117.37 2kru h GLU 11 Ca -0.00 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 2kru h GLU 11 Cb 0.61 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 2kru h GLU 11 CO 0.00 0.39 0.09 -0.22 -1.16 0.00 0.00 179.01 178.11 2kru h LYS 12 N 0.46 0.46 0.00 2.33 3.64 -1.20 0.87 116.57 123.14 2kru h LYS 12 Ca 0.12 -0.10 -0.10 0.00 -1.27 0.00 0.00 60.65 59.29 2kru h LYS 12 Cb 0.10 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 2kru h LYS 12 CO -0.01 0.52 -0.48 0.52 -2.27 0.00 0.00 179.45 177.73 2kru h MET 13 N 0.31 0.00 0.00 1.90 2.86 -1.21 -1.76 114.93 117.04 2kru h MET 13 Ca 0.09 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 2kru h MET 13 Cb 0.26 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.92 2kru h MET 13 CO -0.00 0.48 0.00 1.25 1.06 0.00 0.00 176.91 179.70 2kru h LEU 14 N 0.00 0.00 -0.24 1.22 5.85 -0.64 -2.58 115.31 118.91 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 1.08 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.11 2kru h LEU 14 CO 0.06 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 178.77 2kru n GLY 15 N 0.19 -1.18 0.15 3.75 0.00 0.27 -1.39 105.19 106.98 2kru n GLY 15 Ca 0.02 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.16 2kru n GLY 15 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2kru h LYS 16 N 0.00 0.00 -5.80 1.61 3.64 -1.54 -3.45 116.57 111.03 2kru h LYS 16 Ca 0.00 0.00 -0.58 0.00 -1.27 0.00 0.00 60.65 58.80 2kru h LYS 16 Cb 0.34 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.09 2kru h LYS 16 CO 0.00 0.00 -0.17 0.08 -2.27 0.00 0.00 179.45 177.09 2kru s VAL 17 N -3.17 5.14 0.54 2.00 1.01 -0.49 -5.05 120.40 120.39 2kru s VAL 17 Ca 0.09 0.90 -0.21 0.00 0.00 0.00 0.00 61.98 62.75 2kru s VAL 17 Cb 0.10 -3.78 -0.06 0.00 0.00 0.00 0.00 36.38 32.64 2kru s VAL 17 CO 0.61 0.40 1.15 -2.65 0.00 0.00 0.00 175.10 174.61 2kru n PRO 18 N 3.14 1.36 0.28 2.72 -0.02 -1.26 -4.81 135.00 136.40 2kru n PRO 18 Ca -0.09 0.50 0.16 0.00 -2.02 0.00 0.00 63.50 62.05 2kru n PRO 18 Cb 0.52 -2.33 0.73 0.00 -0.02 0.00 0.00 33.50 32.40 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 1.14 0.00 -0.75 6.00 3.57 -1.96 -2.47 116.94 122.46 2kru h PHE 19 Ca -0.49 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.05 2kru h PHE 19 Cb 1.33 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 40.03 2kru h PHE 19 CO 0.42 0.05 0.50 0.74 -2.23 0.00 0.00 178.31 177.79 2kru h PHE 20 N 0.00 0.89 0.00 0.41 0.04 -2.03 -2.89 116.94 113.36 2kru h PHE 20 Ca -0.00 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.79 2kru h PHE 20 Cb 0.46 -0.30 0.00 0.00 2.20 0.00 0.00 35.95 38.31 2kru h PHE 20 CO 0.00 0.52 -0.02 1.33 -0.60 0.00 0.00 178.31 179.54 2kru n VAL 21 N -4.45 1.67 -0.28 -0.55 0.24 -1.00 -4.75 118.33 109.21 2kru n VAL 21 Ca 0.10 -1.98 -0.05 0.00 -2.04 0.00 0.00 64.34 60.37 2kru n VAL 21 Cb 0.12 -0.10 0.09 0.00 -1.47 0.00 0.00 33.84 32.48 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 1.16 -0.22 7.34 2.43 -1.23 -0.30 114.38 123.57 2kru h ARG 22 Ca 0.00 -0.19 -0.16 0.00 -0.81 0.00 0.00 59.98 58.82 2kru h ARG 22 Cb 0.95 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.29 2kru h ARG 22 CO 0.00 0.92 -0.50 0.87 -1.51 0.00 0.00 179.97 179.75 2kru h LYS 23 N 1.14 0.61 -0.13 0.20 1.79 -1.85 -1.55 116.57 116.78 2kru h LYS 23 Ca 0.27 -0.36 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 2kru h LYS 23 Cb 0.17 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.85 2kru h LYS 23 CO -0.03 0.97 0.09 -0.22 -1.08 0.00 0.00 179.45 179.18 2kru h LYS 24 N 0.48 0.17 -0.60 3.15 3.64 -1.69 0.83 116.57 122.55 2kru h LYS 24 Ca 0.02 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.34 2kru h LYS 24 Cb 1.04 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.80 2kru h LYS 24 CO 0.10 0.12 0.17 0.28 -2.27 0.00 0.00 179.45 177.85 2kru h VAL 25 N 0.17 1.25 -0.51 2.00 2.07 -1.04 -1.60 116.25 118.59 2kru h VAL 25 Ca 0.05 -0.86 0.05 0.00 0.82 0.00 0.00 66.70 66.75 2kru h VAL 25 Cb -0.02 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.37 2kru h VAL 25 CO -0.01 0.32 0.26 -0.09 0.02 0.00 0.00 177.57 178.07 2kru h ARG 26 N 0.86 0.49 -0.14 1.57 2.43 -1.00 -1.21 114.38 117.37 2kru h ARG 26 Ca 0.19 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 2kru h ARG 26 Cb 0.31 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 2kru h ARG 26 CO -0.00 0.32 0.04 -0.22 -1.51 0.00 0.00 179.97 178.60 2kru h LYS 27 N 0.50 0.20 -0.10 0.20 3.64 -0.42 0.25 116.57 120.84 2kru h LYS 27 Ca 0.23 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.56 2kru h LYS 27 Cb 0.14 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 2kru h LYS 27 CO -0.16 0.18 -0.04 -0.91 -2.27 0.00 0.00 179.45 176.25 2kru h ASN 28 N 0.20 0.22 0.29 4.20 2.35 -0.26 -2.14 115.58 120.44 2kru h ASN 28 Ca 0.05 -0.40 -0.13 0.00 -0.55 0.00 0.00 56.30 55.26 2kru h ASN 28 Cb 0.07 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 2kru h ASN 28 CO -0.00 0.57 -0.53 0.74 -1.65 0.00 0.00 177.43 176.55 2kru h THR 29 N -0.14 1.36 -0.83 2.81 2.02 -0.91 -0.03 112.91 117.18 2kru h THR 29 Ca 0.02 -1.82 0.01 0.00 0.77 0.00 0.00 66.41 65.40 2kru h THR 29 Cb 0.49 1.88 -0.04 0.00 -1.74 0.00 0.00 68.15 68.73 2kru h THR 29 CO 0.01 0.54 0.55 -0.78 0.37 0.00 0.00 175.52 176.21 2kru h ASP 30 N 0.21 0.95 1.38 4.18 1.82 -0.44 0.34 116.42 124.85 2kru h ASP 30 Ca 0.00 -0.02 -0.07 0.00 -0.39 0.00 0.00 57.03 56.55 2kru h ASP 30 Cb 1.01 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 40.78 2kru h ASP 30 CO 0.08 0.68 -0.34 0.78 -1.61 0.00 0.00 179.24 178.84 2kru h ASN 31 N 1.12 0.00 0.14 2.28 2.35 -1.16 -1.87 115.58 118.44 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 -0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.26 2kru h ASN 31 CO -0.07 0.34 -0.07 0.22 -1.65 0.00 0.00 177.43 176.20 2kru h TYR 32 N 0.00 -0.17 -0.16 1.19 3.20 0.40 -0.95 116.97 120.48 2kru h TYR 32 Ca -0.00 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.81 2kru h TYR 32 Cb 1.12 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.43 2kru h TYR 32 CO 0.00 0.25 -0.14 0.00 -1.64 0.00 0.00 178.16 176.63 2kru h ALA 33 N 0.03 1.47 -0.33 1.82 0.00 -0.46 -1.17 119.26 120.62 2kru h ALA 33 Ca -0.02 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 2kru h ALA 33 Cb 0.51 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2kru h ALA 33 CO 0.03 0.38 -0.05 -0.09 0.00 0.00 0.00 179.25 179.51 2kru h ARG 34 N 0.24 0.53 -0.08 0.00 9.65 -1.29 0.32 114.38 123.74 2kru h ARG 34 Ca 0.05 -0.13 -0.06 0.00 -1.10 0.00 0.00 59.98 58.73 2kru h ARG 34 Cb 0.41 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.92 2kru h ARG 34 CO 0.02 0.60 -0.20 1.49 2.80 0.00 0.00 179.97 184.68 2kru h GLU 35 N 0.50 0.28 0.00 0.20 4.81 -0.01 -3.22 114.58 117.14 2kru h GLU 35 Ca 0.10 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 2kru h GLU 35 Cb 0.41 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.82 2kru h GLU 35 CO 0.02 0.80 0.00 -0.84 -0.73 0.00 0.00 179.01 178.25 2kru h ILE 36 N -0.19 0.00 0.00 2.32 3.07 -1.23 -3.47 117.51 118.00 2kru h ILE 36 Ca -0.00 -0.88 0.00 0.00 1.55 0.00 0.00 64.86 65.53 2kru h ILE 36 Cb 0.80 1.88 0.00 0.00 -0.27 0.00 0.00 36.82 39.23 2kru h ILE 36 CO 0.04 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.75 2kru n GLY 37 N 1.03 0.97 3.65 0.16 0.00 0.89 -5.07 105.19 106.82 2kru n GLY 37 Ca 0.04 -0.37 -0.37 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.12 4.06 0.00 1.61 0.41 0.15 -4.97 118.70 118.84 2kru s GLU 38 Ca 0.00 -0.24 0.29 0.00 -0.41 0.00 0.00 54.97 54.61 2kru s GLU 38 Cb 0.00 -3.56 1.17 0.00 -1.78 0.00 0.00 34.13 29.96 2kru s GLU 38 CO 0.00 0.02 1.85 -0.35 -0.49 0.00 0.00 175.26 176.29 2kru n PRO 39 N 4.41 0.23 -4.38 0.39 -0.04 -1.26 -4.40 135.00 129.95 2kru n PRO 39 Ca -0.14 -0.05 -0.30 0.00 -0.04 0.00 0.00 63.50 62.97 2kru n PRO 39 Cb 0.52 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 32.31 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 -2.80 1.65 -0.57 0.52 1.01 -1.26 -0.78 120.40 118.17 2kru s VAL 40 Ca 0.20 -0.72 -0.19 0.00 0.00 0.00 0.00 61.98 61.27 2kru s VAL 40 Cb 0.19 -1.50 0.09 0.00 0.00 0.00 0.00 36.38 35.16 2kru s VAL 40 CO 0.53 0.47 0.68 -0.69 0.00 0.00 0.00 175.10 176.10 2kru s VAL 41 N 1.08 4.83 0.19 2.92 1.01 0.12 -4.88 120.40 125.67 2kru s VAL 41 Ca -0.03 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.15 2kru s VAL 41 Cb -0.14 -4.43 0.03 0.00 0.00 0.00 0.00 36.38 31.83 2kru s VAL 41 CO -0.04 -1.03 0.24 0.35 0.00 0.00 0.00 175.10 174.61 2kru n THR 42 N 5.57 0.00 -0.19 3.92 -2.24 -1.26 -1.68 114.28 118.40 2kru n THR 42 Ca -0.08 -0.67 0.07 0.00 -2.27 0.00 0.00 64.05 61.09 2kru n THR 42 Cb 0.43 -0.72 0.35 0.00 -2.10 0.00 0.00 70.33 68.30 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 0.46 1.72 0.30 6.98 0.00 -1.94 -1.56 119.26 125.21 2kru h ALA 43 Ca -0.10 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2kru h ALA 43 Cb 0.42 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2kru h ALA 43 CO 0.14 0.16 -0.14 -0.44 0.00 0.00 0.00 179.25 178.97 2kru h ASP 44 N 0.75 -0.34 -0.27 0.00 3.32 -1.97 -1.35 116.42 116.56 2kru h ASP 44 Ca 0.33 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.32 2kru h ASP 44 Cb 0.31 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 2kru h ASP 44 CO -0.11 -0.18 0.13 0.58 -1.72 0.00 0.00 179.24 177.93 2kru h VAL 45 N -0.48 1.15 -0.35 -1.35 2.07 -1.82 -1.74 116.25 113.73 2kru h VAL 45 Ca -0.04 -0.44 -0.11 0.00 0.82 0.00 0.00 66.70 66.92 2kru h VAL 45 Cb 0.36 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 2kru h VAL 45 CO 0.07 0.16 -0.24 0.15 0.02 0.00 0.00 177.57 177.72 2kru h PHE 46 N 0.30 0.78 -0.02 1.57 3.57 -1.31 -0.65 116.94 121.17 2kru h PHE 46 Ca 0.09 -0.18 -0.00 0.00 3.53 0.00 0.00 57.97 61.41 2kru h PHE 46 Cb 0.13 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 38.68 2kru h PHE 46 CO -0.02 0.87 0.00 -0.09 -2.23 0.00 0.00 178.31 176.84 2kru h ARG 47 N 0.60 0.04 -0.43 1.11 2.43 -1.03 -2.71 114.38 114.38 2kru h ARG 47 Ca 0.08 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.18 2kru h ARG 47 Cb 0.73 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.26 2kru h ARG 47 CO 0.06 0.27 -0.00 0.87 -1.51 0.00 0.00 179.97 179.66 2kru h LYS 48 N -0.20 0.70 -0.61 0.20 1.57 -1.24 -3.02 116.57 113.98 2kru h LYS 48 Ca 0.01 -0.18 0.02 0.00 -1.87 0.00 0.00 60.65 58.63 2kru h LYS 48 Cb 0.25 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 2kru h LYS 48 CO 0.00 0.72 0.38 0.00 -0.57 0.00 0.00 179.45 179.98 2kru h ALA 49 N 1.34 0.78 -0.84 3.86 0.00 -0.98 -2.06 119.26 121.37 2kru h ALA 49 Ca 0.13 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.11 2kru h ALA 49 Cb 0.42 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 2kru h ALA 49 CO 0.02 0.14 0.55 0.87 0.00 0.00 0.00 179.25 180.82 2kru h LYS 50 N 0.76 0.80 0.06 0.00 1.57 -1.34 0.50 116.57 118.93 2kru h LYS 50 Ca 0.24 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.82 2kru h LYS 50 Cb -0.01 -0.18 0.02 0.00 0.08 0.00 0.00 32.23 32.13 2kru h LYS 50 CO -0.09 0.53 -0.62 1.49 -0.57 0.00 0.00 179.45 180.19 2kru h GLU 51 N 0.83 0.31 -0.27 3.15 4.81 -1.60 -3.07 114.58 118.74 2kru h GLU 51 Ca 0.38 -0.42 -0.11 0.00 -0.13 0.00 0.00 59.36 59.08 2kru h GLU 51 Cb 0.39 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 2kru h GLU 51 CO -0.15 1.14 -0.30 1.25 -0.73 0.00 0.00 179.01 180.21 2kru h HIS 52 N -0.31 0.65 -0.11 0.92 2.76 -0.66 -2.15 115.15 116.25 2kru h HIS 52 Ca -0.10 -0.16 0.00 0.00 -2.20 0.00 0.00 60.37 57.92 2kru h HIS 52 Cb 1.41 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 30.22 2kru h HIS 52 CO 0.18 0.81 0.00 1.28 -1.30 0.00 0.00 177.93 178.90 2kru n LEU 53 N -4.08 1.01 0.00 0.26 4.77 0.17 -4.92 117.00 114.21 2kru n LEU 53 Ca -0.01 -0.43 0.00 0.00 -0.03 0.00 0.00 56.01 55.54 2kru n LEU 53 Cb 0.45 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 2kru n LEU 53 CO 0.44 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 2kru n GLY 54 N 0.98 1.63 7.00 -0.72 0.00 -0.81 -4.95 105.19 108.33 2kru n GLY 54 Ca 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 1.51 0.00 -0.02 0.00 -1.18 -4.71 105.19 100.80 2kru n GLY 55 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.37 2kru n GLY 55 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2kru n LEU 56 N 0.00 0.00 -4.78 0.99 -0.00 -1.26 -5.13 117.00 106.82 2kru n LEU 56 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 56.01 55.65 2kru n LEU 56 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.35 2kru n LEU 56 CO 0.00 0.00 -0.19 -0.70 -0.00 0.00 0.00 177.39 176.50 2kru s GLU 57 N -0.75 3.74 -0.01 1.47 -6.30 -1.26 -4.98 118.70 110.60 2kru s GLU 57 Ca 0.00 -0.21 0.02 0.00 -2.50 0.00 0.00 54.97 52.28 2kru s GLU 57 Cb 0.00 -3.25 0.03 0.00 0.00 0.00 0.00 34.13 30.91 2kru s GLU 57 CO 0.00 0.55 0.98 0.72 0.02 0.00 0.00 175.26 177.52 2kru n HIS 58 N 2.72 0.00 -1.85 5.30 8.25 -1.26 -5.07 115.22 123.31 2kru n HIS 58 Ca -0.18 -0.11 -0.43 0.00 -0.26 0.00 0.00 57.72 56.74 2kru n HIS 58 Cb 0.54 -0.06 -0.03 0.00 1.12 0.00 0.00 29.99 31.56 2kru n HIS 58 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2kru s HIS 59 N -0.32 1.56 0.00 4.41 5.04 -1.26 -4.88 115.29 119.84 2kru s HIS 59 Ca 0.03 0.62 0.00 0.00 -1.54 0.00 0.00 55.06 54.17 2kru s HIS 59 Cb 0.03 -4.04 0.00 0.00 0.04 0.00 0.00 32.58 28.61 2kru s HIS 59 CO 0.00 -3.34 0.00 1.58 -2.34 0.00 0.00 174.74 170.64 2kru n HIS 60 N 10.95 0.00 0.00 3.88 -0.00 -1.26 -5.05 115.22 123.74 2kru n HIS 60 Ca 0.26 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.44 2kru n HIS 60 Cb 0.46 -0.35 0.00 0.00 -0.12 0.00 0.00 29.99 29.98 2kru n HIS 60 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2kru n HIS 61 N -1.72 0.00 -3.29 1.57 8.25 -1.26 -5.07 115.22 113.70 2kru n HIS 61 Ca 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.32 2kru n HIS 61 Cb 0.00 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.16 2kru n HIS 61 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kru n HIS 62 N 0.00 -2.50 0.00 4.41 8.25 -1.26 -5.32 115.22 118.80 2kru n HIS 62 Ca 0.00 0.86 0.00 0.00 -0.26 0.00 0.00 57.72 58.32 2kru n HIS 62 Cb 0.00 -3.98 0.00 0.00 1.12 0.00 0.00 29.99 27.13 2kru n HIS 62 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56