#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kr5 s MET 2 N 0.00 3.71 0.10 0.00 1.00 -1.26 -4.99 119.30 117.86 2kr5 s MET 2 Ca 0.00 0.09 0.24 0.00 0.00 0.00 0.00 55.69 56.02 2kr5 s MET 2 Cb 0.00 -2.91 0.34 0.00 0.00 0.00 0.00 34.83 32.26 2kr5 s MET 2 CO 0.00 0.51 1.31 0.00 0.00 0.00 0.00 175.02 176.83 2kr5 n ALA 3 N 0.52 3.04 -1.55 3.03 0.00 -1.26 -5.04 120.51 119.25 2kr5 n ALA 3 Ca -0.05 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.11 2kr5 n ALA 3 Cb 0.52 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.82 2kr5 n ALA 3 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2kr5 n LYS 4 N -2.02 -3.01 -4.23 0.00 4.81 -1.26 -5.11 118.16 107.34 2kr5 n LYS 4 Ca 0.03 2.38 -0.15 0.00 -0.87 0.00 0.00 58.31 59.70 2kr5 n LYS 4 Cb 0.43 -2.59 -0.09 0.00 0.02 0.00 0.00 35.03 32.79 2kr5 n LYS 4 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 2kr5 s GLY 5 N -0.31 1.81 0.00 3.14 0.00 -1.26 -5.11 107.32 105.59 2kr5 s GLY 5 Ca 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 44.72 42.87 2kr5 s GLY 5 CO 0.00 -1.43 0.17 -0.62 0.00 0.00 0.00 173.10 171.23 2kr5 n VAL 6 N -0.42 0.00 -0.59 1.40 0.31 -1.26 -5.07 118.33 112.71 2kr5 n VAL 6 Ca 0.04 0.62 0.00 0.00 -0.01 0.00 0.00 64.34 64.99 2kr5 n VAL 6 Cb 0.64 -1.52 0.00 0.00 -0.91 0.00 0.00 33.84 32.06 2kr5 n VAL 6 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2kr5 n GLY 7 N 1.51 -0.39 3.71 2.92 0.00 -0.12 -5.07 105.19 107.74 2kr5 n GLY 7 Ca 0.00 -0.48 -0.23 0.00 0.00 0.00 0.00 46.02 45.31 2kr5 n GLY 7 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kr5 s VAL 8 N -0.24 3.73 0.84 1.61 -7.23 -0.87 -5.01 120.40 113.23 2kr5 s VAL 8 Ca 0.00 -1.73 -0.11 0.00 -1.81 0.00 0.00 61.98 58.33 2kr5 s VAL 8 Cb 0.00 -3.03 0.13 0.00 0.56 0.00 0.00 36.38 34.04 2kr5 s VAL 8 CO 0.00 -0.35 1.18 -0.44 -0.31 0.00 0.00 175.10 175.18 2kr5 s SER 9 N -3.75 3.95 0.26 4.85 0.01 -1.26 -4.80 113.70 112.97 2kr5 s SER 9 Ca 0.32 0.35 0.00 0.00 1.31 0.00 0.00 55.95 57.94 2kr5 s SER 9 Cb -0.07 -0.67 0.35 0.00 0.21 0.00 0.00 66.02 65.85 2kr5 s SER 9 CO 0.22 -2.19 1.71 -1.13 0.41 0.00 0.00 173.24 172.26 2kr5 h ASN 10 N -1.15 0.60 -0.89 2.44 -0.73 -2.00 -1.80 115.58 112.06 2kr5 h ASN 10 Ca -0.44 -0.19 0.07 0.00 1.87 0.00 0.00 56.30 57.61 2kr5 h ASN 10 Cb 1.28 -0.16 -0.06 0.00 0.27 0.00 0.00 38.32 39.64 2kr5 h ASN 10 CO 0.50 0.80 0.55 -0.08 -0.37 0.00 0.00 177.43 178.83 2kr5 h GLU 11 N 0.54 0.97 0.00 6.67 4.81 -2.01 -1.86 114.58 123.70 2kr5 h GLU 11 Ca 0.09 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.22 2kr5 h GLU 11 Cb 0.63 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 2kr5 h GLU 11 CO 0.04 0.64 -0.19 0.87 -0.73 0.00 0.00 179.01 179.65 2kr5 h LYS 12 N 1.00 0.00 0.00 1.92 1.79 -1.70 -0.18 116.57 119.40 2kr5 h LYS 12 Ca 0.39 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.79 2kr5 h LYS 12 Cb 0.20 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.83 2kr5 h LYS 12 CO -0.18 0.19 -0.36 1.25 -1.08 0.00 0.00 179.45 179.27 2kr5 h LEU 13 N 0.00 0.00 -0.18 2.94 5.85 -1.07 -2.08 115.31 120.77 2kr5 h LEU 13 Ca -0.00 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.52 2kr5 h LEU 13 Cb 0.55 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 2kr5 h LEU 13 CO 0.02 0.36 -0.93 -0.78 -0.34 0.00 0.00 178.44 176.78 2kr5 h ASP 14 N 0.00 0.07 0.52 1.25 1.82 -0.89 -3.05 116.42 116.14 2kr5 h ASP 14 Ca -0.00 -0.07 -0.20 0.00 -0.39 0.00 0.00 57.03 56.37 2kr5 h ASP 14 Cb 0.81 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.79 2kr5 h ASP 14 CO 0.05 0.95 -0.88 0.00 -1.61 0.00 0.00 179.24 177.75 2kr5 h ALA 15 N 1.04 0.50 -0.13 -0.78 0.00 -1.16 -3.05 119.26 115.68 2kr5 h ALA 15 Ca -0.02 -0.71 -0.09 0.00 0.00 0.00 0.00 54.91 54.09 2kr5 h ALA 15 Cb 1.62 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.34 2kr5 h ALA 15 CO 0.13 0.88 -0.26 -0.24 0.00 0.00 0.00 179.25 179.76 2kr5 h VAL 16 N 0.14 1.37 -0.43 0.00 3.04 -1.44 -3.14 116.25 115.80 2kr5 h VAL 16 Ca -0.05 -1.53 0.02 0.00 -1.01 0.00 0.00 66.70 64.12 2kr5 h VAL 16 Cb 1.50 2.05 -0.02 0.00 -2.01 0.00 0.00 31.29 32.81 2kr5 h VAL 16 CO 0.14 0.45 0.28 0.24 -1.01 0.00 0.00 177.57 177.67 2kr5 h MET 17 N -0.01 0.51 -0.01 4.17 2.07 -1.55 -0.39 114.93 119.73 2kr5 h MET 17 Ca 0.00 -0.03 -0.14 0.00 -2.07 0.00 0.00 59.70 57.46 2kr5 h MET 17 Cb 0.85 -0.12 -0.02 0.00 -1.87 0.00 0.00 31.60 30.45 2kr5 h MET 17 CO 0.06 0.34 -0.67 0.07 1.07 0.00 0.00 176.91 177.78 2kr5 h ARG 18 N 0.53 0.03 0.04 1.72 0.11 -1.56 0.29 114.38 115.54 2kr5 h ARG 18 Ca 0.16 -0.02 -0.23 0.00 0.10 0.00 0.00 59.98 59.99 2kr5 h ARG 18 Cb 0.01 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.09 2kr5 h ARG 18 CO -0.04 0.68 -1.02 0.28 0.10 0.00 0.00 179.97 179.98 2kr5 h VAL 19 N 0.02 1.48 -0.54 0.08 2.07 -1.22 -2.81 116.25 115.34 2kr5 h VAL 19 Ca -0.01 -2.75 -0.09 0.00 0.82 0.00 0.00 66.70 64.66 2kr5 h VAL 19 Cb 1.18 2.62 -0.02 0.00 -1.52 0.00 0.00 31.29 33.55 2kr5 h VAL 19 CO 0.09 0.81 -0.03 0.58 0.02 0.00 0.00 177.57 179.03 2kr5 h VAL 20 N 0.13 1.27 0.00 2.57 2.07 -0.91 -2.68 116.25 118.69 2kr5 h VAL 20 Ca -0.08 -1.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.27 2kr5 h VAL 20 Cb 1.69 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 32.39 2kr5 h VAL 20 CO 0.16 0.41 -0.03 -1.28 0.02 0.00 0.00 177.57 176.85 2kr5 h SER 21 N 0.85 0.00 0.01 0.57 0.87 -0.27 -1.33 113.55 114.24 2kr5 h SER 21 Ca 0.15 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.66 2kr5 h SER 21 Cb 0.58 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.54 2kr5 h SER 21 CO 0.03 0.03 -0.24 -0.33 -0.53 0.00 0.00 176.83 175.80 2kr5 h GLU 22 N 0.00 0.02 0.03 2.24 4.39 -1.23 -3.24 114.58 116.79 2kr5 h GLU 22 Ca -0.00 -0.03 -0.26 0.00 0.34 0.00 0.00 59.36 59.41 2kr5 h GLU 22 Cb 0.11 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 2kr5 h GLU 22 CO 0.00 1.01 -1.39 0.93 -1.16 0.00 0.00 179.01 178.40 2kr5 h GLU 23 N -0.96 0.06 0.11 2.33 4.39 -1.28 -3.32 114.58 115.90 2kr5 h GLU 23 Ca -0.06 -0.10 -0.27 0.00 0.34 0.00 0.00 59.36 59.27 2kr5 h GLU 23 Cb 1.08 0.04 0.01 0.00 -0.10 0.00 0.00 28.75 29.77 2kr5 h GLU 23 CO -0.02 0.84 -1.19 0.66 -1.16 0.00 0.00 179.01 178.13 2kr5 h SER 24 N 0.02 0.47 0.00 1.42 4.64 -1.45 -3.48 113.55 115.17 2kr5 h SER 24 Ca -0.17 -0.48 0.00 0.00 -0.47 0.00 0.00 61.79 60.67 2kr5 h SER 24 Cb 1.92 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.86 2kr5 h SER 24 CO 0.12 1.35 0.00 0.61 -0.87 0.00 0.00 176.83 178.04 2kr5 n GLY 25 N 1.42 0.80 3.38 -0.77 0.00 -1.22 -5.00 105.19 103.79 2kr5 n GLY 25 Ca -0.09 -0.15 -0.40 0.00 0.00 0.00 0.00 46.02 45.39 2kr5 n GLY 25 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kr5 s ILE 26 N -2.00 4.48 0.47 -0.61 1.01 -1.24 -5.06 121.20 118.24 2kr5 s ILE 26 Ca 0.00 -0.77 -0.23 0.00 0.00 0.00 0.00 60.65 59.65 2kr5 s ILE 26 Cb 0.00 -3.44 -0.09 0.00 0.01 0.00 0.00 42.46 38.94 2kr5 s ILE 26 CO 0.00 -0.14 0.98 0.00 0.00 0.00 0.00 174.94 175.78 2kr5 n ALA 27 N 4.97 0.15 -0.21 9.38 0.00 -1.26 -4.25 120.51 129.29 2kr5 n ALA 27 Ca -0.12 0.17 0.18 0.00 0.00 0.00 0.00 53.44 53.66 2kr5 n ALA 27 Cb 0.47 -2.08 0.51 0.00 0.00 0.00 0.00 19.45 18.35 2kr5 n ALA 27 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2kr5 h LEU 28 N 1.25 0.40 -1.07 0.00 5.85 -1.89 0.29 115.31 120.14 2kr5 h LEU 28 Ca -0.46 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.30 2kr5 h LEU 28 Cb 1.35 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.33 2kr5 h LEU 28 CO 0.55 0.18 0.00 -0.33 -0.34 0.00 0.00 178.44 178.50 2kr5 h GLU 29 N 0.41 0.00 -0.02 1.25 4.39 -2.00 -2.66 114.58 115.95 2kr5 h GLU 29 Ca 0.43 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.13 2kr5 h GLU 29 Cb 1.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.69 2kr5 h GLU 29 CO -0.15 0.00 -0.09 0.39 -1.16 0.00 0.00 179.01 178.00 2kr5 n GLU 30 N -3.01 1.31 -2.25 2.33 1.02 0.87 -4.89 120.64 116.02 2kr5 n GLU 30 Ca 0.02 -1.21 -0.38 0.00 -0.02 0.00 0.00 57.16 55.56 2kr5 n GLU 30 Cb 0.35 -1.27 -0.03 0.00 -0.02 0.00 0.00 31.44 30.47 2kr5 n GLU 30 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2kr5 s LEU 31 N -1.45 3.25 0.10 -4.62 0.20 -0.22 -4.90 118.68 111.04 2kr5 s LEU 31 Ca 0.16 -0.19 0.04 0.00 0.69 0.00 0.00 54.13 54.83 2kr5 s LEU 31 Cb 0.12 -2.55 -0.04 0.00 -0.43 0.00 0.00 46.19 43.30 2kr5 s LEU 31 CO 0.24 -2.18 0.07 0.42 -0.29 0.00 0.00 176.35 174.61 2kr5 s THR 32 N 7.79 4.36 -1.72 3.68 -4.23 -1.26 -5.00 115.64 119.25 2kr5 s THR 32 Ca 0.55 -0.92 0.31 0.00 -1.18 0.00 0.00 61.69 60.45 2kr5 s THR 32 Cb -0.09 -3.12 0.66 0.00 1.34 0.00 0.00 72.50 71.28 2kr5 s THR 32 CO 0.14 0.07 2.07 0.47 -0.54 0.00 0.00 174.62 176.83 2kr5 n ASP 33 N 0.29 0.14 -0.40 3.99 8.00 -1.26 -2.39 116.55 124.93 2kr5 n ASP 33 Ca -0.09 -0.59 0.12 0.00 0.71 0.00 0.00 54.79 54.94 2kr5 n ASP 33 Cb 0.52 -0.13 0.27 0.00 -0.02 0.00 0.00 41.12 41.76 2kr5 n ASP 33 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2kr5 n ASP 34 N -1.06 1.51 -4.80 -2.24 8.00 -1.26 -3.59 116.55 113.09 2kr5 n ASP 34 Ca 0.18 -1.22 -0.31 0.00 0.71 0.00 0.00 54.79 54.14 2kr5 n ASP 34 Cb 0.20 0.21 0.05 0.00 -0.02 0.00 0.00 41.12 41.56 2kr5 n ASP 34 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2kr5 s SER 35 N -2.39 5.30 -0.11 -2.24 0.01 -1.01 -4.94 113.70 108.32 2kr5 s SER 35 Ca 0.25 1.71 0.01 0.00 1.31 0.00 0.00 55.95 59.24 2kr5 s SER 35 Cb 0.19 -2.51 0.02 0.00 0.21 0.00 0.00 66.02 63.93 2kr5 s SER 35 CO 0.50 -1.50 -0.14 0.21 0.41 0.00 0.00 173.24 172.72 2kr5 s ASN 36 N -3.45 2.38 0.13 2.44 3.84 -1.26 -2.19 114.94 116.83 2kr5 s ASN 36 Ca 0.60 -0.41 -0.20 0.00 0.21 0.00 0.00 52.86 53.06 2kr5 s ASN 36 Cb -0.15 -1.06 -0.02 0.00 -0.55 0.00 0.00 41.25 39.47 2kr5 s ASN 36 CO 0.51 0.00 1.70 -0.26 -2.79 0.00 0.00 177.10 176.26 2kr5 h PHE 37 N 7.49 -0.14 -0.05 0.43 0.04 -0.79 0.34 116.94 124.26 2kr5 h PHE 37 Ca -0.32 0.02 -0.09 0.00 2.80 0.00 0.00 57.97 60.38 2kr5 h PHE 37 Cb 1.17 0.09 -0.01 0.00 2.20 0.00 0.00 35.95 39.40 2kr5 h PHE 37 CO 0.48 -0.10 -0.41 0.00 -0.60 0.00 0.00 178.31 177.68 2kr5 h ALA 38 N 1.18 1.23 0.00 2.45 0.00 -1.81 -0.42 119.26 121.88 2kr5 h ALA 38 Ca 0.10 -0.39 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 2kr5 h ALA 38 Cb 0.17 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2kr5 h ALA 38 CO -0.22 0.55 -0.46 0.22 0.00 0.00 0.00 179.25 179.34 2kr5 h ASP 39 N 0.09 0.00 0.83 0.00 3.58 -1.72 -2.97 116.42 116.23 2kr5 h ASP 39 Ca 0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.46 2kr5 h ASP 39 Cb 0.76 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.81 2kr5 h ASP 39 CO 0.06 0.46 -0.40 0.23 -2.88 0.00 0.00 179.24 176.71 2kr5 n MET 40 N -3.59 0.13 0.00 0.28 2.81 0.05 -4.92 117.12 111.88 2kr5 n MET 40 Ca -0.00 0.05 0.00 0.00 -1.81 0.00 0.00 57.70 55.94 2kr5 n MET 40 Cb 0.55 -1.60 0.00 0.00 -0.71 0.00 0.00 33.22 31.46 2kr5 n MET 40 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2kr5 n GLY 41 N 1.42 1.37 3.58 3.03 0.00 -0.98 -5.04 105.19 108.57 2kr5 n GLY 41 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 2kr5 n GLY 41 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kr5 s ILE 42 N -2.00 3.65 0.67 -0.61 -1.09 -0.22 -4.99 121.20 116.62 2kr5 s ILE 42 Ca 0.00 0.60 -0.02 0.00 -2.23 0.00 0.00 60.65 59.00 2kr5 s ILE 42 Cb 0.00 -4.06 0.14 0.00 -1.58 0.00 0.00 42.46 36.96 2kr5 s ILE 42 CO 0.00 -0.79 0.92 0.47 -1.23 0.00 0.00 174.94 174.31 2kr5 n ASP 43 N 10.14 1.09 -0.10 3.58 8.00 -1.26 -4.60 116.55 133.40 2kr5 n ASP 43 Ca 0.18 -1.95 -0.06 0.00 0.71 0.00 0.00 54.79 53.67 2kr5 n ASP 43 Cb 0.49 -0.61 0.01 0.00 -0.02 0.00 0.00 41.12 40.99 2kr5 n ASP 43 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 2kr5 h SER 44 N -0.64 -0.14 -0.04 -2.24 0.87 -1.96 -0.56 113.55 108.85 2kr5 h SER 44 Ca -0.30 0.08 0.03 0.00 -1.23 0.00 0.00 61.79 60.36 2kr5 h SER 44 Cb 1.09 0.14 -0.06 0.00 -0.44 0.00 0.00 62.40 63.12 2kr5 h SER 44 CO 0.31 -0.03 -0.47 0.25 -0.53 0.00 0.00 176.83 176.36 2kr5 h LEU 45 N 0.10 -1.46 -0.21 2.23 7.12 -1.99 0.16 115.31 121.26 2kr5 h LEU 45 Ca 0.17 0.17 -0.04 0.00 0.13 0.00 0.00 57.88 58.31 2kr5 h LEU 45 Cb 0.23 0.57 -0.01 0.00 -0.53 0.00 0.00 40.66 40.92 2kr5 h LEU 45 CO -0.28 -0.48 -0.02 -1.28 -0.13 0.00 0.00 178.44 176.25 2kr5 h SER 46 N -0.60 0.39 0.20 1.25 0.87 -1.88 -1.53 113.55 112.25 2kr5 h SER 46 Ca 0.04 -0.34 -0.06 0.00 -1.23 0.00 0.00 61.79 60.21 2kr5 h SER 46 Cb 0.68 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.53 2kr5 h SER 46 CO -0.36 0.63 -0.23 0.77 -0.53 0.00 0.00 176.83 177.11 2kr5 h SER 47 N 0.13 0.07 -0.06 6.23 4.64 -0.96 -0.25 113.55 123.35 2kr5 h SER 47 Ca 0.06 -0.02 -0.21 0.00 -0.47 0.00 0.00 61.79 61.15 2kr5 h SER 47 Cb 0.45 -0.02 0.01 0.00 -0.31 0.00 0.00 62.40 62.53 2kr5 h SER 47 CO 0.02 0.31 -0.76 -0.03 -0.87 0.00 0.00 176.83 175.49 2kr5 h MET 48 N 0.07 0.63 0.15 4.77 -1.53 -0.83 -2.95 114.93 115.24 2kr5 h MET 48 Ca 0.01 -0.59 0.01 0.00 -3.44 0.00 0.00 59.70 55.69 2kr5 h MET 48 Cb 0.46 0.15 -0.02 0.00 -0.55 0.00 0.00 31.60 31.64 2kr5 h MET 48 CO 0.03 1.20 -0.18 0.28 0.14 0.00 0.00 176.91 178.39 2kr5 h VAL 49 N 0.27 0.60 -0.37 -5.77 2.07 -0.53 -0.77 116.25 111.76 2kr5 h VAL 49 Ca -0.08 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.52 2kr5 h VAL 49 Cb 1.42 0.60 -0.09 0.00 -1.52 0.00 0.00 31.29 31.71 2kr5 h VAL 49 CO 0.15 0.00 -0.30 0.40 0.02 0.00 0.00 177.57 177.85 2kr5 h ILE 50 N -0.37 0.28 -0.54 4.57 2.04 -1.14 0.25 117.51 122.61 2kr5 h ILE 50 Ca 0.01 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.89 2kr5 h ILE 50 Cb 0.36 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 2kr5 h ILE 50 CO -0.06 0.00 0.35 1.23 0.00 0.00 0.00 178.15 179.67 2kr5 h GLY 51 N -0.24 0.72 1.01 5.37 0.00 -1.34 -1.45 103.07 107.15 2kr5 h GLY 51 Ca 0.17 -0.26 -0.11 0.00 0.00 0.00 0.00 47.33 47.13 2kr5 h GLY 51 CO -0.50 0.24 -0.20 1.76 0.00 0.00 0.00 176.54 177.83 2kr5 h SER 52 N 0.66 0.83 0.83 0.19 0.02 0.42 -2.98 113.55 113.52 2kr5 h SER 52 Ca 0.21 -0.41 -0.01 0.00 -0.84 0.00 0.00 61.79 60.74 2kr5 h SER 52 Cb 0.02 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.33 2kr5 h SER 52 CO -0.05 1.06 -0.02 0.03 -1.14 0.00 0.00 176.83 176.71 2kr5 h ARG 53 N 0.60 0.00 -0.99 3.45 3.08 0.34 -0.12 114.38 120.74 2kr5 h ARG 53 Ca 0.08 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.14 2kr5 h ARG 53 Cb 0.76 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.76 2kr5 h ARG 53 CO 0.06 0.02 0.66 0.74 -1.07 0.00 0.00 179.97 180.38 2kr5 h PHE 54 N 0.00 1.25 0.00 3.04 0.04 -1.14 -0.14 116.94 119.99 2kr5 h PHE 54 Ca -0.00 0.03 -0.12 0.00 2.80 0.00 0.00 57.97 60.67 2kr5 h PHE 54 Cb 0.45 -0.42 -0.02 0.00 2.20 0.00 0.00 35.95 38.16 2kr5 h PHE 54 CO 0.00 0.78 -0.59 0.00 -0.60 0.00 0.00 178.31 177.90 2kr5 h ARG 55 N 1.34 0.00 0.00 1.51 2.47 -1.08 0.11 114.38 118.73 2kr5 h ARG 55 Ca 0.37 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.09 2kr5 h ARG 55 Cb -0.15 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.17 2kr5 h ARG 55 CO -0.08 0.59 -0.05 0.93 0.56 0.00 0.00 179.97 181.93 2kr5 h GLU 56 N 0.00 0.00 0.10 0.04 5.08 -0.81 -3.20 114.58 115.79 2kr5 h GLU 56 Ca -0.01 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.06 2kr5 h GLU 56 Cb 1.15 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 2kr5 h GLU 56 CO 0.08 0.00 -1.45 0.22 -1.00 0.00 0.00 179.01 176.85 2kr5 h ASP 57 N -0.59 0.32 0.04 1.42 3.58 -1.23 -3.37 116.42 116.59 2kr5 h ASP 57 Ca 0.00 -0.43 -0.38 0.00 0.42 0.00 0.00 57.03 56.64 2kr5 h ASP 57 Cb 0.05 -0.10 -0.06 0.00 1.72 0.00 0.00 39.33 40.94 2kr5 h ASP 57 CO 0.00 1.36 -2.34 0.18 -2.88 0.00 0.00 179.24 175.56 2kr5 n LEU 58 N -3.42 2.81 -0.20 2.28 4.32 -1.15 -5.02 117.00 116.62 2kr5 n LEU 58 Ca -0.14 -0.04 0.00 0.00 -0.02 0.00 0.00 56.01 55.82 2kr5 n LEU 58 Cb 1.03 -0.93 0.00 0.00 -1.62 0.00 0.00 43.42 41.90 2kr5 n LEU 58 CO 0.50 0.90 0.00 0.61 -1.22 0.00 0.00 177.39 178.18 2kr5 n GLY 59 N 2.17 0.97 3.73 -0.72 0.00 0.24 -5.01 105.19 106.57 2kr5 n GLY 59 Ca -0.42 -0.48 -0.41 0.00 0.00 0.00 0.00 46.02 44.71 2kr5 n GLY 59 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kr5 s LEU 60 N -0.39 4.46 -1.26 0.99 1.43 -0.45 -4.94 118.68 118.52 2kr5 s LEU 60 Ca 0.00 1.83 -0.14 0.00 -1.03 0.00 0.00 54.13 54.79 2kr5 s LEU 60 Cb 0.00 -3.59 0.14 0.00 0.03 0.00 0.00 46.19 42.77 2kr5 s LEU 60 CO 0.00 -0.16 1.64 0.47 0.23 0.00 0.00 176.35 178.52 2kr5 n ASP 61 N 3.04 5.04 -0.08 2.29 9.92 -1.26 -4.34 116.55 131.16 2kr5 n ASP 61 Ca 0.04 -2.98 -0.06 0.00 -0.53 0.00 0.00 54.79 51.26 2kr5 n ASP 61 Cb 0.49 -1.61 -0.02 0.00 -0.64 0.00 0.00 41.12 39.34 2kr5 n ASP 61 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2kr5 n LEU 62 N 6.05 1.77 0.00 0.64 4.77 -1.26 -5.04 117.00 123.93 2kr5 n LEU 62 Ca 0.41 0.48 0.00 0.00 -0.03 0.00 0.00 56.01 56.87 2kr5 n LEU 62 Cb 0.42 -0.80 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 2kr5 n LEU 62 CO 0.71 -0.39 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 2kr5 n GLY 63 N 1.55 0.76 0.17 -0.72 0.00 -1.26 -4.96 105.19 100.74 2kr5 n GLY 63 Ca -0.10 -1.52 0.06 0.00 0.00 0.00 0.00 46.02 44.46 2kr5 n GLY 63 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kr5 h PRO 64 N 0.00 0.00 -2.22 1.61 0.13 -1.99 -3.39 132.00 126.14 2kr5 h PRO 64 Ca 0.00 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.53 2kr5 h PRO 64 Cb 0.00 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 30.71 2kr5 h PRO 64 CO 0.00 0.30 -0.57 -1.91 -0.23 0.00 0.00 178.00 175.59 2kr5 n GLU 65 N -3.18 2.55 -3.78 0.86 2.13 -1.26 -4.98 120.64 112.99 2kr5 n GLU 65 Ca 0.03 -4.67 -0.37 0.00 0.66 0.00 0.00 57.16 52.80 2kr5 n GLU 65 Cb 0.65 -2.26 -0.13 0.00 0.27 0.00 0.00 31.44 29.97 2kr5 n GLU 65 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 2kr5 s PHE 66 N -2.47 3.22 -0.19 4.31 5.36 -1.26 -5.08 117.98 121.87 2kr5 s PHE 66 Ca 0.40 -1.35 0.01 0.00 -0.96 0.00 0.00 56.93 55.02 2kr5 s PHE 66 Cb 0.14 -2.25 0.03 0.00 -0.34 0.00 0.00 43.02 40.60 2kr5 s PHE 66 CO -0.01 -0.70 -0.17 -1.12 -1.46 0.00 0.00 175.22 171.76 2kr5 s SER 67 N 1.41 3.22 0.52 6.13 0.01 -1.26 -4.36 113.70 119.37 2kr5 s SER 67 Ca -0.01 -0.73 0.26 0.00 1.31 0.00 0.00 55.95 56.79 2kr5 s SER 67 Cb -0.19 -1.41 1.43 0.00 0.21 0.00 0.00 66.02 66.06 2kr5 s SER 67 CO 0.02 -0.04 2.07 -0.07 0.41 0.00 0.00 173.24 175.63 2kr5 h LEU 68 N 7.94 0.00 0.00 2.44 3.38 -1.90 -0.12 115.31 127.06 2kr5 h LEU 68 Ca -0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.57 2kr5 h LEU 68 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2kr5 h LEU 68 CO 0.59 0.12 0.00 0.33 0.09 0.00 0.00 178.44 179.56 2kr5 n PHE 69 N -3.70 0.00 0.00 1.13 7.35 -1.26 -2.30 117.46 118.68 2kr5 n PHE 69 Ca -0.02 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.67 2kr5 n PHE 69 Cb 0.23 -0.22 0.00 0.00 0.35 0.00 0.00 39.48 39.84 2kr5 n PHE 69 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 2kr5 n ILE 70 N -1.22 0.00 -0.16 -2.13 5.41 -0.52 -4.85 119.36 115.89 2kr5 n ILE 70 Ca 0.10 0.00 0.09 0.00 1.00 0.00 0.00 62.75 63.94 2kr5 n ILE 70 Cb 0.13 -0.63 0.22 0.00 -0.71 0.00 0.00 39.64 38.64 2kr5 n ILE 70 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2kr5 n ASP 71 N -2.46 3.34 -3.67 4.38 -0.08 -0.17 -4.97 116.55 112.92 2kr5 n ASP 71 Ca 0.00 -1.97 -0.10 0.00 -1.51 0.00 0.00 54.79 51.21 2kr5 n ASP 71 Cb 0.40 -0.32 -0.05 0.00 2.34 0.00 0.00 41.12 43.49 2kr5 n ASP 71 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kr5 n THR 73 N -0.09 0.00 -1.93 0.00 -2.24 -1.26 -4.58 114.28 104.17 2kr5 n THR 73 Ca -0.16 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.40 2kr5 n THR 73 Cb 0.63 -0.28 0.14 0.00 -2.10 0.00 0.00 70.33 68.72 2kr5 n THR 73 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2kr5 n THR 74 N -2.41 0.00 0.08 4.28 -2.24 -1.26 -0.13 114.28 112.59 2kr5 n THR 74 Ca 0.00 -0.89 -0.23 0.00 -2.27 0.00 0.00 64.05 60.66 2kr5 n THR 74 Cb 0.00 -1.45 -0.15 0.00 -2.10 0.00 0.00 70.33 66.63 2kr5 n THR 74 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2kr5 h VAL 75 N -1.33 1.14 -0.07 2.28 2.07 -1.59 -3.17 116.25 115.58 2kr5 h VAL 75 Ca -0.32 -2.54 0.02 0.00 0.82 0.00 0.00 66.70 64.68 2kr5 h VAL 75 Cb 0.94 2.90 -0.00 0.00 -1.52 0.00 0.00 31.29 33.60 2kr5 h VAL 75 CO 0.25 0.79 0.05 -0.09 0.02 0.00 0.00 177.57 178.59 2kr5 h ARG 76 N -0.05 0.00 -0.34 1.57 9.65 -1.84 -1.01 114.38 122.36 2kr5 h ARG 76 Ca -0.28 0.00 0.04 0.00 -1.10 0.00 0.00 59.98 58.64 2kr5 h ARG 76 Cb 1.97 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 30.53 2kr5 h ARG 76 CO 0.17 0.00 0.23 0.00 2.80 0.00 0.00 179.97 183.18 2kr5 h ALA 77 N 1.96 1.96 0.02 2.80 0.00 -1.86 0.69 119.26 124.83 2kr5 h ALA 77 Ca 0.03 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.74 2kr5 h ALA 77 Cb 0.14 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 17.87 2kr5 h ALA 77 CO -0.00 -0.02 -0.77 1.25 0.00 0.00 0.00 179.25 179.71 2kr5 h LEU 78 N 0.29 0.63 0.16 0.00 6.46 -1.30 -2.53 115.31 119.03 2kr5 h LEU 78 Ca 0.15 -0.78 -0.01 0.00 -0.12 0.00 0.00 57.88 57.12 2kr5 h LEU 78 Cb 0.22 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 39.96 2kr5 h LEU 78 CO -0.03 1.34 -0.08 0.11 -0.62 0.00 0.00 178.44 179.16 2kr5 h LYS 79 N 0.00 -0.20 0.00 1.25 1.79 -1.03 -1.93 116.57 116.44 2kr5 h LYS 79 Ca -0.10 0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.35 2kr5 h LYS 79 Cb 1.48 0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 32.17 2kr5 h LYS 79 CO 0.15 -0.14 -0.14 0.22 -1.08 0.00 0.00 179.45 178.47 2kr5 h ASP 80 N -0.21 0.00 -0.11 0.86 3.58 0.28 0.00 116.42 120.81 2kr5 h ASP 80 Ca -0.02 0.00 -0.21 0.00 0.42 0.00 0.00 57.03 57.22 2kr5 h ASP 80 Cb 0.16 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.22 2kr5 h ASP 80 CO 0.04 0.14 -0.72 0.15 -2.88 0.00 0.00 179.24 175.96 2kr5 h PHE 81 N 0.00 1.00 0.18 0.28 3.57 -1.16 -0.39 116.94 120.42 2kr5 h PHE 81 Ca -0.00 -0.42 -0.27 0.00 3.53 0.00 0.00 57.97 60.81 2kr5 h PHE 81 Cb 0.25 -0.16 0.02 0.00 2.79 0.00 0.00 35.95 38.85 2kr5 h PHE 81 CO 0.00 1.24 -1.22 0.52 -2.23 0.00 0.00 178.31 176.62 2kr5 h MET 82 N 0.53 0.37 0.08 1.11 2.86 -0.55 -3.35 114.93 115.97 2kr5 h MET 82 Ca -0.04 -0.63 -0.18 0.00 -2.06 0.00 0.00 59.70 56.79 2kr5 h MET 82 Cb 1.34 0.24 -0.00 0.00 0.06 0.00 0.00 31.60 33.23 2kr5 h MET 82 CO 0.15 1.30 -0.91 -0.07 1.06 0.00 0.00 176.91 178.44 2kr5 h LEU 83 N -0.16 0.26 0.00 1.22 4.07 -1.16 -0.14 115.31 119.39 2kr5 h LEU 83 Ca -0.23 -0.86 0.00 0.00 0.08 0.00 0.00 57.88 56.87 2kr5 h LEU 83 Cb 1.87 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 43.52 2kr5 h LEU 83 CO 0.17 1.40 0.00 0.61 -1.08 0.00 0.00 178.44 179.54 2kr5 n GLY 84 N 1.64 -0.21 1.70 0.83 0.00 -0.15 -4.57 105.19 104.43 2kr5 n GLY 84 Ca -0.20 -1.46 -0.16 0.00 0.00 0.00 0.00 46.02 44.20 2kr5 n GLY 84 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kr5 n SER 85 N -0.59 3.81 -3.24 1.61 7.64 -1.26 -4.77 113.62 116.83 2kr5 n SER 85 Ca 0.00 -3.75 -0.24 0.00 1.01 0.00 0.00 58.87 55.89 2kr5 n SER 85 Cb 0.00 -0.70 -0.08 0.00 -1.01 0.00 0.00 64.21 62.42 2kr5 n SER 85 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kr5 n GLY 86 N -1.06 2.51 1.46 0.23 0.00 -1.26 -4.91 105.19 102.16 2kr5 n GLY 86 Ca 0.45 -1.41 -0.03 0.00 0.00 0.00 0.00 46.02 45.03 2kr5 n GLY 86 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kr5 n ASP 87 N 1.89 3.59 -1.13 1.61 8.00 -1.26 -4.21 116.55 125.04 2kr5 n ASP 87 Ca 0.24 -2.69 0.08 0.00 0.71 0.00 0.00 54.79 53.12 2kr5 n ASP 87 Cb 0.52 -0.64 0.25 0.00 -0.02 0.00 0.00 41.12 41.23 2kr5 n ASP 87 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kr5 n ALA 88 N 0.03 2.72 -0.57 2.24 0.00 -1.26 -5.29 120.51 118.38 2kr5 n ALA 88 Ca 0.23 -1.06 0.00 0.00 0.00 0.00 0.00 53.44 52.61 2kr5 n ALA 88 Cb 0.95 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.40 2kr5 n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91