#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 1.15 3.17 -5.12 0.00 -1.26 -5.09 105.19 98.05 2kru n GLY 2 Ca 0.00 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 2kru n GLY 2 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kru s GLU 3 N -0.22 2.83 0.73 1.61 0.41 -1.26 -5.11 118.70 117.70 2kru s GLU 3 Ca 0.25 -0.97 -0.11 0.00 -0.41 0.00 0.00 54.97 53.73 2kru s GLU 3 Cb 0.32 -2.89 0.03 0.00 -1.78 0.00 0.00 34.13 29.81 2kru s GLU 3 CO -0.06 -0.37 1.08 -0.51 -0.49 0.00 0.00 175.26 174.92 2kru s LEU 4 N 1.30 3.09 -0.69 1.80 1.43 -1.26 -4.94 118.68 119.41 2kru s LEU 4 Ca 0.00 1.74 -0.27 0.00 -1.03 0.00 0.00 54.13 54.57 2kru s LEU 4 Cb -0.16 -4.51 0.02 0.00 0.03 0.00 0.00 46.19 41.57 2kru s LEU 4 CO -0.06 -1.76 1.35 -0.44 0.23 0.00 0.00 176.35 175.67 2kru s SER 5 N -3.53 6.09 -0.17 2.29 0.01 0.58 -4.92 113.70 114.06 2kru s SER 5 Ca 0.60 -0.24 -0.13 0.00 1.31 0.00 0.00 55.95 57.49 2kru s SER 5 Cb -0.16 -2.55 -0.05 0.00 0.21 0.00 0.00 66.02 63.47 2kru s SER 5 CO 0.55 -1.85 0.24 0.26 0.41 0.00 0.00 173.24 172.85 2kru s TRP 6 N 6.05 3.46 0.53 2.43 0.52 -1.26 -0.17 118.94 130.50 2kru s TRP 6 Ca 0.41 0.53 -0.02 0.00 0.02 0.00 0.00 56.10 57.03 2kru s TRP 6 Cb -0.09 -2.28 0.01 0.00 -1.15 0.00 0.00 33.47 29.97 2kru s TRP 6 CO 0.18 0.28 0.79 0.95 0.02 0.00 0.00 176.95 179.17 2kru s THR 7 N 0.35 3.66 0.41 2.01 -4.23 -1.04 -4.97 115.64 111.82 2kru s THR 7 Ca 0.14 -0.29 0.09 0.00 -1.18 0.00 0.00 61.69 60.45 2kru s THR 7 Cb -0.12 -3.40 0.22 0.00 1.34 0.00 0.00 72.50 70.53 2kru s THR 7 CO 0.02 -0.35 2.00 0.00 -0.54 0.00 0.00 174.62 175.76 2kru h ALA 8 N 0.08 1.64 0.02 3.99 0.00 -1.99 -2.94 119.26 120.07 2kru h ALA 8 Ca -0.45 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.37 2kru h ALA 8 Cb 1.26 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 2kru h ALA 8 CO 0.58 0.28 -0.16 0.93 0.00 0.00 0.00 179.25 180.88 2kru h GLU 9 N 0.36 -0.27 -0.64 0.00 3.07 -1.94 -0.25 114.58 114.92 2kru h GLU 9 Ca 0.09 0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 58.93 2kru h GLU 9 Cb 0.14 0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.08 2kru h GLU 9 CO -0.00 -0.18 0.24 0.00 -1.40 0.00 0.00 179.01 177.67 2kru h ALA 10 N 0.64 0.83 -0.66 3.43 0.00 -1.79 -1.89 119.26 119.81 2kru h ALA 10 Ca 0.05 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 2kru h ALA 10 Cb 0.33 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2kru h ALA 10 CO -0.14 0.46 0.16 0.93 0.00 0.00 0.00 179.25 180.66 2kru h GLU 11 N 0.90 1.03 -0.08 0.00 4.39 -1.36 0.19 114.58 119.64 2kru h GLU 11 Ca 0.21 -0.23 -0.12 0.00 0.34 0.00 0.00 59.36 59.56 2kru h GLU 11 Cb 0.23 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 2kru h GLU 11 CO -0.01 0.91 -0.49 0.87 -1.16 0.00 0.00 179.01 179.13 2kru h LYS 12 N 0.99 0.21 -0.08 2.33 1.79 -0.77 0.23 116.57 121.26 2kru h LYS 12 Ca 0.21 -0.11 -0.12 0.00 -2.18 0.00 0.00 60.65 58.44 2kru h LYS 12 Cb 0.34 0.01 0.01 0.00 -1.58 0.00 0.00 32.23 31.01 2kru h LYS 12 CO 0.00 0.66 -0.43 0.52 -1.08 0.00 0.00 179.45 179.12 2kru h MET 13 N 0.17 0.44 0.00 3.15 2.86 -0.97 -3.22 114.93 117.35 2kru h MET 13 Ca 0.01 -0.36 -0.06 0.00 -2.06 0.00 0.00 59.70 57.23 2kru h MET 13 Cb 0.93 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.66 2kru h MET 13 CO 0.07 0.99 -0.28 1.25 1.06 0.00 0.00 176.91 180.01 2kru h LEU 14 N -0.01 0.00 -1.80 1.22 5.85 -0.50 -2.72 115.31 117.35 2kru h LEU 14 Ca -0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.69 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 0.09 0.28 0.00 1.23 -0.34 0.00 0.00 178.44 179.69 2kru h GLY 15 N 1.57 0.00 0.72 3.75 0.00 -0.55 -0.67 103.07 107.89 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 0.04 0.00 -0.11 0.28 0.00 0.00 0.00 176.54 176.75 2kru n LYS 16 N -2.75 0.81 -3.82 4.80 5.02 -1.03 -4.78 118.16 116.41 2kru n LYS 16 Ca -0.01 -0.31 -0.35 0.00 -2.02 0.00 0.00 58.31 55.62 2kru n LYS 16 Cb 0.16 -1.49 -0.08 0.00 -0.02 0.00 0.00 35.03 33.60 2kru n LYS 16 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2kru s VAL 17 N -2.41 5.29 0.40 -0.18 1.01 -0.26 -5.07 120.40 119.19 2kru s VAL 17 Ca 0.30 0.14 -0.26 0.00 0.00 0.00 0.00 61.98 62.17 2kru s VAL 17 Cb 0.20 -3.38 -0.11 0.00 0.00 0.00 0.00 36.38 33.09 2kru s VAL 17 CO 0.46 0.48 1.18 -0.81 0.00 0.00 0.00 175.10 176.41 2kru n PRO 18 N 3.22 1.74 -0.13 2.72 -0.04 -1.26 -4.59 135.00 136.66 2kru n PRO 18 Ca -0.17 0.62 0.07 0.00 -0.04 0.00 0.00 63.50 63.98 2kru n PRO 18 Cb 0.53 -2.24 0.40 0.00 -0.04 0.00 0.00 33.50 32.14 2kru n PRO 18 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 2kru h PHE 19 N 1.96 0.65 -0.45 0.54 3.57 -1.95 0.20 116.94 121.46 2kru h PHE 19 Ca -0.46 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.13 2kru h PHE 19 Cb 1.31 -0.21 -0.07 0.00 2.79 0.00 0.00 35.95 39.77 2kru h PHE 19 CO 0.47 0.35 0.07 0.74 -2.23 0.00 0.00 178.31 177.71 2kru h PHE 20 N 0.65 0.10 0.00 0.41 0.04 -2.02 -2.40 116.94 113.71 2kru h PHE 20 Ca 0.27 0.03 0.00 0.00 2.80 0.00 0.00 57.97 61.07 2kru h PHE 20 Cb 0.25 0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.42 2kru h PHE 20 CO -0.00 -0.02 -1.72 1.33 -0.60 0.00 0.00 178.31 177.30 2kru n VAL 21 N -5.13 0.10 -0.07 -0.55 0.24 -1.01 -4.38 118.33 107.53 2kru n VAL 21 Ca 0.04 -0.45 -0.07 0.00 -2.04 0.00 0.00 64.34 61.82 2kru n VAL 21 Cb 0.22 0.04 -0.00 0.00 -1.47 0.00 0.00 33.84 32.63 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 0.16 -0.28 7.34 2.43 -0.14 0.21 114.38 124.11 2kru h ARG 22 Ca 0.00 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.10 2kru h ARG 22 Cb 0.94 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.44 2kru h ARG 22 CO 0.00 0.11 -0.07 -0.22 -1.51 0.00 0.00 179.97 178.28 2kru h LYS 23 N 0.17 0.44 -0.09 0.20 3.64 -1.67 -1.31 116.57 117.95 2kru h LYS 23 Ca 0.13 -0.11 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 2kru h LYS 23 Cb 0.13 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 2kru h LYS 23 CO -0.17 0.53 -0.08 -0.22 -2.27 0.00 0.00 179.45 177.25 2kru h LYS 24 N 0.42 0.21 -0.86 1.90 3.64 -1.53 -2.89 116.57 117.45 2kru h LYS 24 Ca 0.09 -0.11 0.04 0.00 -1.27 0.00 0.00 60.65 59.40 2kru h LYS 24 Cb 0.39 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.16 2kru h LYS 24 CO 0.02 0.62 0.56 0.28 -2.27 0.00 0.00 179.45 178.66 2kru h VAL 25 N -0.19 1.13 -0.86 2.00 2.07 -0.30 0.74 116.25 120.83 2kru h VAL 25 Ca 0.02 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 2kru h VAL 25 Cb 0.57 -0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.28 2kru h VAL 25 CO 0.02 0.19 0.49 -0.09 0.02 0.00 0.00 177.57 178.20 2kru h ARG 26 N 1.05 1.19 -0.13 1.57 2.43 -1.21 0.12 114.38 119.41 2kru h ARG 26 Ca 0.35 -0.12 -0.17 0.00 -0.81 0.00 0.00 59.98 59.22 2kru h ARG 26 Cb 0.06 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.36 2kru h ARG 26 CO -0.11 0.85 -0.63 -0.22 -1.51 0.00 0.00 179.97 178.35 2kru h LYS 27 N 1.20 0.46 -0.67 0.20 3.64 -1.04 -0.99 116.57 119.36 2kru h LYS 27 Ca 0.31 -0.33 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 2kru h LYS 27 Cb -0.00 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 2kru h LYS 27 CO -0.05 0.94 0.35 -0.91 -2.27 0.00 0.00 179.45 177.51 2kru h ASN 28 N 0.34 0.85 0.34 4.20 4.21 0.02 -0.14 115.58 125.40 2kru h ASN 28 Ca -0.01 -0.11 -0.09 0.00 1.21 0.00 0.00 56.30 57.30 2kru h ASN 28 Cb 1.18 -0.22 -0.01 0.00 -1.12 0.00 0.00 38.32 38.15 2kru h ASN 28 CO 0.11 0.72 -0.40 0.71 -1.29 0.00 0.00 177.43 177.29 2kru h THR 29 N 0.92 1.29 -0.70 2.81 1.35 -0.72 0.15 112.91 118.02 2kru h THR 29 Ca 0.23 -1.41 -0.02 0.00 -0.55 0.00 0.00 66.41 64.66 2kru h THR 29 Cb 0.07 1.71 -0.03 0.00 -1.73 0.00 0.00 68.15 68.17 2kru h THR 29 CO -0.03 0.41 0.35 -0.78 -0.25 0.00 0.00 175.52 175.21 2kru h ASP 30 N 0.07 0.89 0.75 5.36 3.58 -0.17 0.31 116.42 127.21 2kru h ASP 30 Ca 0.01 -0.09 -0.20 0.00 0.42 0.00 0.00 57.03 57.17 2kru h ASP 30 Cb 0.74 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.54 2kru h ASP 30 CO 0.05 0.75 -0.90 0.78 -2.88 0.00 0.00 179.24 177.04 2kru h ASN 31 N 0.99 0.13 -0.17 2.28 2.35 -0.67 -3.28 115.58 117.21 2kru h ASN 31 Ca 0.24 -0.11 -0.19 0.00 -0.55 0.00 0.00 56.30 55.70 2kru h ASN 31 Cb 0.09 -0.04 0.01 0.00 0.05 0.00 0.00 38.32 38.42 2kru h ASN 31 CO -0.03 0.96 -0.63 0.22 -1.65 0.00 0.00 177.43 176.30 2kru h TYR 32 N 0.05 0.95 -0.93 1.19 3.20 -0.14 -3.08 116.97 118.21 2kru h TYR 32 Ca -0.03 -0.40 0.04 0.00 3.14 0.00 0.00 58.73 61.48 2kru h TYR 32 Cb 1.56 -0.16 -0.06 0.00 1.54 0.00 0.00 36.73 39.62 2kru h TYR 32 CO 0.02 1.21 0.60 0.00 -1.64 0.00 0.00 178.16 178.35 2kru h ALA 33 N 0.55 1.24 -0.31 1.82 0.00 -0.53 -0.63 119.26 121.40 2kru h ALA 33 Ca -0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2kru h ALA 33 Cb 1.26 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2kru h ALA 33 CO 0.13 0.44 0.15 0.00 0.00 0.00 0.00 179.25 179.98 2kru h ARG 34 N 1.15 0.43 -0.33 0.00 3.08 -1.61 0.30 114.38 117.39 2kru h ARG 34 Ca 0.38 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 60.31 2kru h ARG 34 Cb 0.04 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 2kru h ARG 34 CO -0.13 0.33 -0.09 1.49 -1.07 0.00 0.00 179.97 180.50 2kru h GLU 35 N 0.43 0.65 -0.36 0.04 4.81 -1.03 -2.72 114.58 116.40 2kru h GLU 35 Ca 0.11 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 2kru h GLU 35 Cb 0.04 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.39 2kru h GLU 35 CO -0.02 0.82 0.00 0.44 -0.73 0.00 0.00 179.01 179.53 2kru n ILE 36 N -4.43 0.48 -1.79 2.32 -5.35 -1.07 -4.90 119.36 104.62 2kru n ILE 36 Ca -0.02 -0.52 -0.08 0.00 -0.27 0.00 0.00 62.75 61.86 2kru n ILE 36 Cb 0.34 0.33 -0.01 0.00 -1.74 0.00 0.00 39.64 38.55 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 1.17 0.40 3.47 3.28 0.00 -0.75 -5.01 105.19 107.76 2kru n GLY 37 Ca 0.15 -0.62 -0.37 0.00 0.00 0.00 0.00 46.02 45.18 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 -3.72 3.70 0.00 1.61 0.41 0.98 -4.94 118.70 116.74 2kru s GLU 38 Ca 0.00 -0.45 0.28 0.00 -0.41 0.00 0.00 54.97 54.39 2kru s GLU 38 Cb 0.00 -3.35 1.06 0.00 -1.78 0.00 0.00 34.13 30.06 2kru s GLU 38 CO 0.00 -0.16 1.78 -0.35 -0.49 0.00 0.00 175.26 176.04 2kru n PRO 39 N 4.86 0.25 -4.51 0.39 -0.04 -1.26 -4.02 135.00 130.67 2kru n PRO 39 Ca -0.16 -0.08 -0.33 0.00 -0.04 0.00 0.00 63.50 62.90 2kru n PRO 39 Cb 0.52 -1.50 -0.16 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 2.12 -0.39 0.52 1.01 -1.26 -0.31 120.40 119.29 2kru s VAL 40 Ca 0.19 -0.95 -0.13 0.00 0.00 0.00 0.00 61.98 61.09 2kru s VAL 40 Cb 0.19 -1.86 0.02 0.00 0.00 0.00 0.00 36.38 34.73 2kru s VAL 40 CO 0.55 0.54 0.26 -0.69 0.00 0.00 0.00 175.10 175.76 2kru s VAL 41 N 0.94 4.99 0.45 2.92 1.01 0.76 -4.96 120.40 126.52 2kru s VAL 41 Ca -0.04 -0.68 0.05 0.00 0.00 0.00 0.00 61.98 61.31 2kru s VAL 41 Cb -0.15 -3.75 0.05 0.00 0.00 0.00 0.00 36.38 32.52 2kru s VAL 41 CO -0.05 -0.24 0.39 0.35 0.00 0.00 0.00 175.10 175.55 2kru n THR 42 N 5.09 0.00 -0.12 3.92 -2.24 -1.26 -2.50 114.28 117.17 2kru n THR 42 Ca -0.12 -1.72 0.03 0.00 -2.27 0.00 0.00 64.05 59.97 2kru n THR 42 Cb 0.47 -0.21 0.33 0.00 -2.10 0.00 0.00 70.33 68.83 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 0.60 1.60 -0.16 6.98 0.00 -1.94 -0.94 119.26 125.41 2kru h ALA 43 Ca -0.27 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.61 2kru h ALA 43 Cb 1.02 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2kru h ALA 43 CO 0.42 0.36 0.08 0.22 0.00 0.00 0.00 179.25 180.33 2kru h ASP 44 N 0.79 0.12 -0.79 0.00 3.58 -2.00 -1.31 116.42 116.81 2kru h ASP 44 Ca 0.23 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.66 2kru h ASP 44 Cb -0.05 -0.02 -0.04 0.00 1.72 0.00 0.00 39.33 40.95 2kru h ASP 44 CO -0.05 0.09 0.42 0.58 -2.88 0.00 0.00 179.24 177.40 2kru h VAL 45 N 0.17 1.24 -0.55 2.25 2.07 -1.77 -2.39 116.25 117.26 2kru h VAL 45 Ca 0.06 -0.61 0.01 0.00 0.82 0.00 0.00 66.70 66.99 2kru h VAL 45 Cb 0.01 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 29.95 2kru h VAL 45 CO -0.04 0.27 0.36 0.15 0.02 0.00 0.00 177.57 178.32 2kru h PHE 46 N 1.10 0.67 0.05 1.57 3.04 -0.84 0.23 116.94 122.76 2kru h PHE 46 Ca 0.28 0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.25 2kru h PHE 46 Cb 0.05 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 38.32 2kru h PHE 46 CO 0.00 0.41 -0.09 0.00 -2.02 0.00 0.00 178.31 176.62 2kru h ARG 47 N 0.72 -0.17 -0.56 1.11 3.08 -0.91 0.11 114.38 117.77 2kru h ARG 47 Ca 0.21 0.01 -0.10 0.00 0.07 0.00 0.00 59.98 60.17 2kru h ARG 47 Cb -0.05 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 2kru h ARG 47 CO -0.06 -0.11 -0.05 0.87 -1.07 0.00 0.00 179.97 179.55 2kru h LYS 48 N -0.17 1.00 -0.31 0.04 1.57 -1.16 -2.75 116.57 114.79 2kru h LYS 48 Ca 0.02 -0.33 -0.04 0.00 -1.87 0.00 0.00 60.65 58.43 2kru h LYS 48 Cb 0.19 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 2kru h LYS 48 CO -0.06 1.01 0.03 0.00 -0.57 0.00 0.00 179.45 179.87 2kru h ALA 49 N 1.03 0.41 -0.19 3.86 0.00 -0.35 -1.34 119.26 122.68 2kru h ALA 49 Ca 0.15 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.90 2kru h ALA 49 Cb 0.59 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 2kru h ALA 49 CO 0.04 0.12 -0.07 -0.22 0.00 0.00 0.00 179.25 179.12 2kru h LYS 50 N 0.33 -0.04 -0.00 0.00 3.64 -0.64 0.32 116.57 120.18 2kru h LYS 50 Ca 0.09 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.35 2kru h LYS 50 Cb 0.37 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 2kru h LYS 50 CO 0.01 -0.02 -0.57 0.93 -2.27 0.00 0.00 179.45 177.53 2kru h GLU 51 N -0.04 0.00 -0.21 1.90 3.07 -1.49 0.13 114.58 117.94 2kru h GLU 51 Ca 0.10 -0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 58.79 2kru h GLU 51 Cb 0.18 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.09 2kru h GLU 51 CO -0.21 0.57 -0.54 1.25 -1.40 0.00 0.00 179.01 178.68 2kru h HIS 52 N 0.00 0.76 0.08 4.33 2.76 -0.50 -3.26 115.15 119.32 2kru h HIS 52 Ca -0.01 -0.27 -0.19 0.00 -2.20 0.00 0.00 60.37 57.71 2kru h HIS 52 Cb 1.01 -0.15 0.02 0.00 1.55 0.00 0.00 27.41 29.84 2kru h HIS 52 CO 0.00 1.01 -0.80 -0.07 -1.30 0.00 0.00 177.93 176.78 2kru h LEU 53 N 0.47 0.57 0.00 0.26 3.38 -0.21 -3.50 115.31 116.28 2kru h LEU 53 Ca 0.01 -0.85 0.00 0.00 0.09 0.00 0.00 57.88 57.13 2kru h LEU 53 Cb 1.09 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.66 2kru h LEU 53 CO 0.10 1.36 0.00 0.61 0.09 0.00 0.00 178.44 180.60 2kru n GLY 54 N 1.36 0.36 0.00 0.83 0.00 0.43 -5.06 105.19 103.11 2kru n GLY 54 Ca -0.12 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.48 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 1.75 0.00 -0.02 0.00 -1.26 -4.84 105.19 100.82 2kru n GLY 55 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.00 2kru n GLY 55 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kru n LEU 56 N 0.00 1.69 -3.63 0.99 4.77 -1.26 -5.05 117.00 114.51 2kru n LEU 56 Ca 0.00 0.24 -0.12 0.00 -0.03 0.00 0.00 56.01 56.10 2kru n LEU 56 Cb 0.00 -0.18 -0.05 0.00 -2.33 0.00 0.00 43.42 40.85 2kru n LEU 56 CO 0.00 -0.18 0.19 -0.70 -1.33 0.00 0.00 177.39 175.36 2kru s GLU 57 N -0.52 1.01 0.20 3.23 -6.30 -1.26 -5.05 118.70 110.02 2kru s GLU 57 Ca 0.00 -0.49 -0.10 0.00 -2.50 0.00 0.00 54.97 51.87 2kru s GLU 57 Cb 0.00 0.45 0.17 0.00 0.00 0.00 0.00 34.13 34.75 2kru s GLU 57 CO 0.00 -0.38 1.85 0.45 0.02 0.00 0.00 175.26 177.21 2kru h HIS 58 N 2.66 0.84 0.00 5.30 3.86 -2.04 -3.45 115.15 122.32 2kru h HIS 58 Ca -0.32 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.91 2kru h HIS 58 Cb 1.23 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 29.42 2kru h HIS 58 CO 0.36 0.49 0.00 1.58 0.86 0.00 0.00 177.93 181.22 2kru n HIS 59 N -4.65 0.00 -3.49 2.45 -0.00 -1.26 -4.79 115.22 103.48 2kru n HIS 59 Ca 0.07 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 57.96 2kru n HIS 59 Cb 0.06 -0.31 -0.12 0.00 -0.12 0.00 0.00 29.99 29.50 2kru n HIS 59 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2kru s HIS 60 N -1.30 0.87 0.63 1.57 2.46 -1.26 -5.13 115.29 113.13 2kru s HIS 60 Ca 0.00 -1.73 -0.05 0.00 0.47 0.00 0.00 55.06 53.75 2kru s HIS 60 Cb 0.00 -1.02 0.04 0.00 -0.13 0.00 0.00 32.58 31.47 2kru s HIS 60 CO 0.00 -0.82 0.93 -3.38 -2.47 0.00 0.00 174.74 168.99 2kru s HIS 61 N 0.96 3.01 -0.67 3.88 -3.43 -1.26 -5.05 115.29 112.73 2kru s HIS 61 Ca 0.18 0.40 0.05 0.00 -0.80 0.00 0.00 55.06 54.90 2kru s HIS 61 Cb -0.22 -2.95 0.20 0.00 -1.43 0.00 0.00 32.58 28.18 2kru s HIS 61 CO 0.00 -1.11 0.60 0.72 -2.00 0.00 0.00 174.74 172.95 2kru n HIS 62 N -2.69 3.26 -1.74 0.38 8.25 -1.26 -5.26 115.22 116.16 2kru n HIS 62 Ca 0.07 -4.21 0.00 0.00 -0.26 0.00 0.00 57.72 53.32 2kru n HIS 62 Cb 0.59 -0.57 0.00 0.00 1.12 0.00 0.00 29.99 31.13 2kru n HIS 62 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70