#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1krh n ASN 3 N 0.00 -1.03 -4.39 -3.46 2.85 -1.26 -4.96 115.26 103.01 1krh n ASN 3 Ca 0.00 0.00 -0.30 0.00 -0.11 0.00 0.00 54.58 54.17 1krh n ASN 3 Cb 0.00 0.56 -0.14 0.00 1.24 0.00 0.00 39.78 41.44 1krh n ASN 3 CO 0.00 0.00 0.00 -1.00 -2.11 0.00 0.00 177.26 174.15 1krh s HIS 4 N -0.72 2.38 -0.27 1.20 3.76 0.84 -4.93 115.29 117.55 1krh s HIS 4 Ca 0.00 -0.36 -0.15 0.00 -0.15 0.00 0.00 55.06 54.40 1krh s HIS 4 Cb 0.00 -1.37 -0.04 0.00 1.11 0.00 0.00 32.58 32.28 1krh s HIS 4 CO 0.00 0.22 0.36 -1.14 -0.85 0.00 0.00 174.74 173.33 1krh s GLN 5 N -1.54 4.02 -0.08 1.40 2.00 -1.26 -0.32 119.66 123.89 1krh s GLN 5 Ca 0.13 0.03 0.05 0.00 -2.00 0.00 0.00 55.36 53.57 1krh s GLN 5 Cb -0.10 -3.65 -0.00 0.00 0.80 0.00 0.00 33.01 30.06 1krh s GLN 5 CO 0.04 -0.26 -0.23 0.08 -0.50 0.00 0.00 175.29 174.43 1krh s VAL 6 N 2.01 1.92 -0.12 1.34 1.01 0.13 -2.75 120.40 123.95 1krh s VAL 6 Ca 0.15 -0.96 -0.15 0.00 0.00 0.00 0.00 61.98 61.01 1krh s VAL 6 Cb -0.16 -1.65 -0.05 0.00 0.00 0.00 0.00 36.38 34.53 1krh s VAL 6 CO 0.10 0.53 0.37 0.00 0.00 0.00 0.00 175.10 176.10 1krh s ALA 7 N 0.17 3.58 -0.32 5.51 0.00 -0.45 -0.51 121.76 129.74 1krh s ALA 7 Ca -0.12 -0.33 -0.05 0.00 0.00 0.00 0.00 51.96 51.46 1krh s ALA 7 Cb -0.16 -2.46 0.04 0.00 0.00 0.00 0.00 23.12 20.55 1krh s ALA 7 CO 0.06 0.15 0.07 -0.51 0.00 0.00 0.00 175.76 175.54 1krh s LEU 8 N 0.17 4.16 -0.24 0.00 1.43 0.11 -0.97 118.68 123.35 1krh s LEU 8 Ca 0.21 -1.16 -0.13 0.00 -1.03 0.00 0.00 54.13 52.02 1krh s LEU 8 Cb -0.14 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 1krh s LEU 8 CO 0.08 -0.30 0.29 -1.10 0.23 0.00 0.00 176.35 175.54 1krh s GLN 9 N 1.36 4.08 0.41 1.70 -0.21 0.32 -1.54 119.66 125.78 1krh s GLN 9 Ca -0.03 -0.06 0.07 0.00 0.02 0.00 0.00 55.36 55.37 1krh s GLN 9 Cb -0.19 -3.58 0.01 0.00 1.00 0.00 0.00 33.01 30.24 1krh s GLN 9 CO 0.02 -0.07 0.56 -0.06 -2.12 0.00 0.00 175.29 173.61 1krh s PHE 10 N 1.45 2.89 0.41 0.91 0.40 -0.21 -0.31 117.98 123.52 1krh s PHE 10 Ca 0.13 -0.33 0.09 0.00 -0.60 0.00 0.00 56.93 56.22 1krh s PHE 10 Cb -0.15 -2.31 0.86 0.00 0.51 0.00 0.00 43.02 41.93 1krh s PHE 10 CO 0.08 -0.35 1.98 0.93 0.70 0.00 0.00 175.22 178.56 1krh h GLU 11 N 0.66 0.30 -0.23 0.44 5.08 -1.34 -2.63 114.58 116.87 1krh h GLU 11 Ca -0.42 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1krh h GLU 11 Cb 1.28 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1krh h GLU 11 CO 0.47 0.33 0.00 -0.40 -1.00 0.00 0.00 179.01 178.41 1krh n ASP 12 N -4.37 0.23 0.00 1.42 3.85 -1.26 -4.84 116.55 111.58 1krh n ASP 12 Ca 0.00 -1.99 0.00 0.00 -0.71 0.00 0.00 54.79 52.09 1krh n ASP 12 Cb 0.19 -0.12 0.00 0.00 -1.35 0.00 0.00 41.12 39.84 1krh n ASP 12 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1krh n GLY 13 N 0.38 1.29 3.84 6.12 0.00 -0.99 -5.01 105.19 110.82 1krh n GLY 13 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1krh n GLY 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1krh s VAL 14 N -3.43 4.57 -0.04 1.61 1.01 -1.26 -4.88 120.40 117.99 1krh s VAL 14 Ca 0.00 1.12 0.01 0.00 0.00 0.00 0.00 61.98 63.11 1krh s VAL 14 Cb 0.00 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.75 1krh s VAL 14 CO 0.00 -0.40 -0.05 -0.89 0.00 0.00 0.00 175.10 173.76 1krh s THR 15 N -2.26 0.58 -0.03 3.92 2.01 -1.26 -1.04 115.64 117.56 1krh s THR 15 Ca 0.57 -0.17 0.07 0.00 0.31 0.00 0.00 61.69 62.48 1krh s THR 15 Cb -0.10 -0.58 -0.02 0.00 0.01 0.00 0.00 72.50 71.81 1krh s THR 15 CO 0.22 0.23 -0.25 -0.13 -0.69 0.00 0.00 174.62 173.99 1krh s ARG 16 N 0.77 2.23 -0.18 4.92 1.81 -0.59 -4.95 118.95 122.97 1krh s ARG 16 Ca -0.11 -0.91 -0.06 0.00 -1.72 0.00 0.00 55.73 52.93 1krh s ARG 16 Cb -0.14 -2.09 -0.03 0.00 -0.45 0.00 0.00 34.95 32.25 1krh s ARG 16 CO 0.01 0.52 0.02 -0.06 -0.68 0.00 0.00 175.30 175.10 1krh s PHE 17 N -0.52 3.13 0.24 -0.53 0.40 -1.26 0.08 117.98 119.53 1krh s PHE 17 Ca 0.07 -0.14 0.07 0.00 -0.60 0.00 0.00 56.93 56.33 1krh s PHE 17 Cb -0.11 -2.04 -0.05 0.00 0.51 0.00 0.00 43.02 41.33 1krh s PHE 17 CO 0.00 0.02 -0.10 0.96 0.70 0.00 0.00 175.22 176.80 1krh s ILE 18 N 0.47 1.70 -0.06 0.64 -4.36 0.33 -4.96 121.20 114.96 1krh s ILE 18 Ca -0.00 -2.18 -0.13 0.00 -0.26 0.00 0.00 60.65 58.09 1krh s ILE 18 Cb -0.13 -2.24 -0.05 0.00 1.25 0.00 0.00 42.46 41.29 1krh s ILE 18 CO 0.02 -0.45 0.33 0.00 0.24 0.00 0.00 174.94 175.07 1krh s ILE 20 N -0.76 0.76 0.55 0.00 1.01 0.57 -4.87 121.20 118.45 1krh s ILE 20 Ca 0.21 -0.31 -0.20 0.00 0.00 0.00 0.00 60.65 60.34 1krh s ILE 20 Cb -0.15 -0.96 -0.05 0.00 0.01 0.00 0.00 42.46 41.31 1krh s ILE 20 CO 0.09 0.16 1.18 0.00 0.00 0.00 0.00 174.94 176.37 1krh s ALA 21 N 1.80 2.69 0.01 9.38 0.00 -1.26 -0.11 121.76 134.26 1krh s ALA 21 Ca 0.03 0.94 -0.30 0.00 0.00 0.00 0.00 51.96 52.63 1krh s ALA 21 Cb -0.14 -3.41 -0.08 0.00 0.00 0.00 0.00 23.12 19.49 1krh s ALA 21 CO -0.07 -0.93 1.83 -1.14 0.00 0.00 0.00 175.76 175.45 1krh s GLN 22 N -3.19 4.16 0.00 0.00 2.00 -1.26 -1.22 119.66 120.15 1krh s GLN 22 Ca 0.73 2.45 0.00 0.00 -2.00 0.00 0.00 55.36 56.54 1krh s GLN 22 Cb -0.28 -4.03 0.00 0.00 0.80 0.00 0.00 33.01 29.50 1krh s GLN 22 CO 0.31 -0.90 0.00 0.41 -0.50 0.00 0.00 175.29 174.62 1krh n GLY 23 N 4.35 0.38 3.84 2.59 0.00 -1.26 -4.89 105.19 110.19 1krh n GLY 23 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1krh n GLY 23 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1krh s GLU 24 N -0.76 3.97 0.58 1.61 2.12 -0.36 -5.01 118.70 120.85 1krh s GLU 24 Ca 0.00 0.47 -0.13 0.00 0.36 0.00 0.00 54.97 55.66 1krh s GLU 24 Cb 0.00 -3.14 -0.05 0.00 0.26 0.00 0.00 34.13 31.20 1krh s GLU 24 CO 0.00 0.62 1.02 0.95 -0.54 0.00 0.00 175.26 177.31 1krh s THR 25 N -1.20 4.54 0.19 -1.70 -4.23 -1.26 -4.22 115.64 107.75 1krh s THR 25 Ca 0.29 0.99 -0.12 0.00 -1.18 0.00 0.00 61.69 61.66 1krh s THR 25 Cb -0.17 -3.75 0.10 0.00 1.34 0.00 0.00 72.50 70.02 1krh s THR 25 CO 0.16 -0.92 1.77 0.25 -0.54 0.00 0.00 174.62 175.34 1krh h LEU 26 N 0.15 0.29 -0.59 4.79 5.85 -0.64 -1.47 115.31 123.69 1krh h LEU 26 Ca -0.45 0.05 -0.11 0.00 0.84 0.00 0.00 57.88 58.21 1krh h LEU 26 Cb 1.19 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 1krh h LEU 26 CO 0.61 0.19 -0.04 0.77 -0.34 0.00 0.00 178.44 179.63 1krh h SER 27 N 0.44 1.06 -0.44 1.25 4.64 -1.52 -1.26 113.55 117.72 1krh h SER 27 Ca 0.25 -0.32 -0.02 0.00 -0.47 0.00 0.00 61.79 61.22 1krh h SER 27 Cb 0.22 -0.29 -0.02 0.00 -0.31 0.00 0.00 62.40 62.01 1krh h SER 27 CO -0.21 1.13 0.18 0.44 -0.87 0.00 0.00 176.83 177.49 1krh h ASP 28 N 0.96 0.60 -0.40 4.97 5.19 -1.73 -0.21 116.42 125.80 1krh h ASP 28 Ca 0.16 -0.17 -0.02 0.00 -0.62 0.00 0.00 57.03 56.38 1krh h ASP 28 Cb 0.61 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 39.95 1krh h ASP 28 CO 0.04 0.60 0.15 0.00 -3.12 0.00 0.00 179.24 176.91 1krh h ALA 29 N 1.02 0.52 0.10 3.45 0.00 -1.17 0.61 119.26 123.79 1krh h ALA 29 Ca 0.15 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1krh h ALA 29 Cb 0.19 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1krh h ALA 29 CO -0.01 0.13 -0.05 0.00 0.00 0.00 0.00 179.25 179.32 1krh h ALA 30 N 1.00 -0.14 -0.68 0.00 0.00 -1.02 -1.60 119.26 116.83 1krh h ALA 30 Ca 0.13 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1krh h ALA 30 Cb 0.20 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1krh h ALA 30 CO -0.01 -0.53 0.33 1.88 0.00 0.00 0.00 179.25 180.92 1krh h TYR 31 N -0.23 0.95 -0.59 0.00 -1.99 -0.96 0.32 116.97 114.47 1krh h TYR 31 Ca -0.01 -0.03 0.03 0.00 2.00 0.00 0.00 58.73 60.72 1krh h TYR 31 Cb 0.19 -0.30 -0.03 0.00 2.00 0.00 0.00 36.73 38.59 1krh h TYR 31 CO -0.04 0.69 0.39 -0.09 -0.00 0.00 0.00 178.16 179.11 1krh h ARG 32 N 0.96 0.67 -0.69 4.88 2.43 -0.52 -0.81 114.38 121.30 1krh h ARG 32 Ca 0.24 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.34 1krh h ARG 32 Cb 0.09 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 1krh h ARG 32 CO -0.03 0.44 0.04 1.04 -1.51 0.00 0.00 179.97 179.95 1krh n GLN 33 N -4.47 4.00 -3.00 0.20 6.02 -0.63 -4.93 117.38 114.57 1krh n GLN 33 Ca 0.07 -2.53 -0.21 0.00 -0.01 0.00 0.00 57.00 54.32 1krh n GLN 33 Cb 0.14 -2.11 0.04 0.00 1.02 0.00 0.00 30.24 29.33 1krh n GLN 33 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 1krh n GLN 34 N 0.41 -4.79 -3.93 -1.09 7.27 -0.31 -4.97 117.38 109.96 1krh n GLN 34 Ca 0.24 0.86 -0.32 0.00 0.07 0.00 0.00 57.00 57.85 1krh n GLN 34 Cb 1.04 -5.63 -0.14 0.00 2.41 0.00 0.00 30.24 27.93 1krh n GLN 34 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1krh s ILE 35 N -3.16 2.68 -1.33 1.69 1.01 0.01 -4.86 121.20 117.25 1krh s ILE 35 Ca 0.30 -2.63 -0.16 0.00 0.00 0.00 0.00 60.65 58.16 1krh s ILE 35 Cb -0.13 -2.89 0.08 0.00 0.01 0.00 0.00 42.46 39.53 1krh s ILE 35 CO 0.37 -0.70 1.83 0.59 0.00 0.00 0.00 174.94 177.03 1krh n ASN 36 N 3.92 4.73 -4.76 3.58 3.02 -0.16 -3.22 115.26 122.37 1krh n ASN 36 Ca 0.04 -2.92 -0.31 0.00 -0.03 0.00 0.00 54.58 51.36 1krh n ASN 36 Cb 0.39 -1.69 0.10 0.00 -0.61 0.00 0.00 39.78 37.97 1krh n ASN 36 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1krh s ILE 37 N 3.45 3.17 0.16 2.41 -4.36 -1.26 -4.36 121.20 120.40 1krh s ILE 37 Ca 0.50 0.38 -0.34 0.00 -0.26 0.00 0.00 60.65 60.93 1krh s ILE 37 Cb 0.06 -2.84 -0.15 0.00 1.25 0.00 0.00 42.46 40.78 1krh s ILE 37 CO 0.03 -0.50 1.39 -2.65 0.24 0.00 0.00 174.94 173.45 1krh n PRO 38 N -3.62 1.62 -3.58 0.37 -0.02 -1.26 -4.94 135.00 123.57 1krh n PRO 38 Ca 0.09 0.58 -0.05 0.00 -2.02 0.00 0.00 63.50 62.10 1krh n PRO 38 Cb 0.53 -2.23 -0.02 0.00 -0.02 0.00 0.00 33.50 31.76 1krh n PRO 38 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1krh s MET 39 N 0.26 0.49 0.00 -0.52 1.75 -1.26 -3.82 119.30 116.21 1krh s MET 39 Ca 0.77 -0.20 0.00 0.00 -1.25 0.00 0.00 55.69 55.02 1krh s MET 39 Cb -0.79 0.22 0.00 0.00 2.84 0.00 0.00 34.83 37.10 1krh s MET 39 CO 0.46 -0.22 0.00 -3.47 -0.65 0.00 0.00 175.02 171.14 1krh n ASP 40 N -0.18 0.00 -0.00 1.11 -0.08 -1.26 -4.72 116.55 111.42 1krh n ASP 40 Ca -0.03 0.00 0.03 0.00 -1.51 0.00 0.00 54.79 53.28 1krh n ASP 40 Cb 0.60 0.00 0.39 0.00 2.34 0.00 0.00 41.12 44.45 1krh n ASP 40 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1krh n ARG 42 N -4.43 -1.18 0.00 0.00 1.74 -1.26 -4.83 116.66 106.70 1krh n ARG 42 Ca 0.03 0.78 0.00 0.00 -0.77 0.00 0.00 57.85 57.89 1krh n ARG 42 Cb 0.10 -4.89 0.00 0.00 -1.02 0.00 0.00 32.46 26.65 1krh n ARG 42 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1krh n GLU 43 N -1.68 1.02 -2.21 5.56 -0.58 -1.26 -4.96 120.64 116.53 1krh n GLU 43 Ca -0.10 -0.94 -0.07 0.00 -0.42 0.00 0.00 57.16 55.63 1krh n GLU 43 Cb 0.44 -0.93 -0.00 0.00 -0.57 0.00 0.00 31.44 30.38 1krh n GLU 43 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1krh n GLY 44 N -0.24 0.11 0.00 0.62 0.00 -1.26 -4.71 105.19 99.72 1krh n GLY 44 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1krh n GLY 44 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1krh n GLU 45 N -1.72 2.80 0.05 1.61 2.13 -1.26 -1.19 120.64 123.06 1krh n GLU 45 Ca -0.08 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.64 1krh n GLU 45 Cb 0.56 -0.96 -0.13 0.00 0.27 0.00 0.00 31.44 31.18 1krh n GLU 45 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1krh n GLY 47 N 1.47 0.91 0.28 0.00 0.00 -1.26 -4.65 105.19 101.94 1krh n GLY 47 Ca -0.07 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.10 1krh n GLY 47 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1krh h THR 48 N 0.00 0.35 -0.40 2.61 2.02 -1.93 -2.68 112.91 112.88 1krh h THR 48 Ca 0.00 -0.44 0.00 0.00 0.77 0.00 0.00 66.41 66.74 1krh h THR 48 Cb 0.00 1.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 1krh h THR 48 CO 0.00 0.07 0.00 0.00 0.37 0.00 0.00 175.52 175.96 1krh n ARG 50 N 0.67 2.11 -3.84 0.00 0.63 -1.01 -2.19 116.66 113.03 1krh n ARG 50 Ca 0.13 0.75 -0.15 0.00 -0.92 0.00 0.00 57.85 57.66 1krh n ARG 50 Cb 0.35 -2.40 -0.05 0.00 0.45 0.00 0.00 32.46 30.81 1krh n ARG 50 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1krh n ALA 51 N 1.62 0.09 -3.32 5.13 0.00 -0.17 -4.43 120.51 119.42 1krh n ALA 51 Ca 0.10 -1.57 -0.26 0.00 0.00 0.00 0.00 53.44 51.71 1krh n ALA 51 Cb 0.33 1.27 -0.17 0.00 0.00 0.00 0.00 19.45 20.88 1krh n ALA 51 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1krh s PHE 52 N -3.16 1.67 -0.40 0.00 5.36 -0.92 -1.01 117.98 119.53 1krh s PHE 52 Ca 0.30 -0.61 -0.20 0.00 -0.96 0.00 0.00 56.93 55.46 1krh s PHE 52 Cb 0.00 -1.18 0.01 0.00 -0.34 0.00 0.00 43.02 41.51 1krh s PHE 52 CO 0.21 -0.28 0.58 0.00 -1.46 0.00 0.00 175.22 174.27 1krh h GLU 54 N 8.67 0.56 -3.05 0.00 4.81 -0.73 -3.46 114.58 121.37 1krh h GLU 54 Ca -0.26 -0.44 0.01 0.00 -0.13 0.00 0.00 59.36 58.54 1krh h GLU 54 Cb 1.11 0.08 -0.10 0.00 0.63 0.00 0.00 28.75 30.48 1krh h GLU 54 CO 0.84 1.06 0.19 -1.54 -0.73 0.00 0.00 179.01 178.82 1krh s SER 55 N -6.70 -0.43 0.00 1.04 1.04 -1.17 -4.97 113.70 102.51 1krh s SER 55 Ca -0.12 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.05 1krh s SER 55 Cb 0.06 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.81 1krh s SER 55 CO 0.83 -1.09 0.00 0.61 0.98 0.00 0.00 173.24 174.57 1krh n GLY 56 N -0.40 2.49 3.79 7.32 0.00 -1.26 -0.62 105.19 116.51 1krh n GLY 56 Ca -0.12 -1.99 -0.28 0.00 0.00 0.00 0.00 46.02 43.62 1krh n GLY 56 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1krh s ASN 57 N 0.00 5.52 0.06 1.61 0.01 -1.26 -4.98 114.94 115.89 1krh s ASN 57 Ca 0.00 -0.07 -0.27 0.00 -0.71 0.00 0.00 52.86 51.81 1krh s ASN 57 Cb 0.00 -1.46 0.09 0.00 0.41 0.00 0.00 41.25 40.29 1krh s ASN 57 CO 0.00 0.12 0.80 -0.72 -1.51 0.00 0.00 177.10 175.79 1krh s TYR 58 N -1.57 -0.39 -0.12 2.20 -0.85 -1.26 -0.48 117.35 114.87 1krh s TYR 58 Ca 0.30 0.22 -0.01 0.00 -0.52 0.00 0.00 57.07 57.06 1krh s TYR 58 Cb -0.11 0.55 -0.02 0.00 0.38 0.00 0.00 41.96 42.76 1krh s TYR 58 CO 0.23 -0.66 -0.08 -0.51 -1.52 0.00 0.00 175.55 173.01 1krh s ASP 59 N -2.59 4.50 -0.47 -0.18 1.01 0.00 -4.86 116.67 114.08 1krh s ASP 59 Ca 0.04 -0.16 0.07 0.00 0.71 0.00 0.00 52.55 53.21 1krh s ASP 59 Cb -0.01 -1.54 0.25 0.00 1.01 0.00 0.00 42.92 42.63 1krh s ASP 59 CO -0.09 0.22 0.85 0.80 0.21 0.00 0.00 175.17 177.16 1krh n MET 60 N 3.15 0.80 -1.64 8.23 1.56 -1.26 -0.83 117.12 127.13 1krh n MET 60 Ca -0.18 -2.05 -0.59 0.00 -0.27 0.00 0.00 57.70 54.62 1krh n MET 60 Cb 0.53 -1.38 -0.08 0.00 2.15 0.00 0.00 33.22 34.44 1krh n MET 60 CO 0.00 0.00 0.00 -2.30 -0.73 0.00 0.00 175.97 172.94 1krh n PRO 61 N 1.43 0.63 0.31 2.12 -0.02 -1.26 -4.80 135.00 133.41 1krh n PRO 61 Ca 0.11 0.23 0.21 0.00 -2.02 0.00 0.00 63.50 62.03 1krh n PRO 61 Cb 0.62 -1.82 1.09 0.00 -0.02 0.00 0.00 33.50 33.38 1krh n PRO 61 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1krh h GLU 62 N 5.02 0.00 0.00 -0.52 4.11 -2.00 0.48 114.58 121.67 1krh h GLU 62 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 1krh h GLU 62 Cb 1.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.61 1krh h GLU 62 CO 0.84 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 179.67 1krh n ASP 63 N -2.97 0.35 -0.57 3.06 8.00 -1.26 -3.36 116.55 119.80 1krh n ASP 63 Ca -0.02 0.54 0.11 0.00 0.71 0.00 0.00 54.79 56.12 1krh n ASP 63 Cb 0.09 -0.63 0.38 0.00 -0.02 0.00 0.00 41.12 40.94 1krh n ASP 63 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1krh n ASN 64 N -1.83 1.71 -3.71 -2.24 3.02 0.16 -4.91 115.26 107.46 1krh n ASN 64 Ca 0.06 -1.70 -0.10 0.00 -0.03 0.00 0.00 54.58 52.80 1krh n ASN 64 Cb 0.35 -0.10 -0.05 0.00 -0.61 0.00 0.00 39.78 39.37 1krh n ASN 64 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 1krh s TYR 65 N -1.80 -0.09 0.29 3.10 -0.85 -1.21 -4.44 117.35 112.36 1krh s TYR 65 Ca 0.33 -0.25 0.08 0.00 -0.52 0.00 0.00 57.07 56.71 1krh s TYR 65 Cb 0.18 0.23 -0.04 0.00 0.38 0.00 0.00 41.96 42.71 1krh s TYR 65 CO 0.27 -0.74 0.14 0.96 -1.52 0.00 0.00 175.55 174.65 1krh s ILE 66 N -3.84 3.65 0.55 -3.49 -4.36 -0.34 -4.94 121.20 108.44 1krh s ILE 66 Ca 0.06 -1.63 0.32 0.00 -0.26 0.00 0.00 60.65 59.14 1krh s ILE 66 Cb 0.02 -3.09 0.36 0.00 1.25 0.00 0.00 42.46 40.99 1krh s ILE 66 CO -0.08 -0.29 2.23 -0.33 0.24 0.00 0.00 174.94 176.71 1krh h GLU 67 N 1.59 0.00 -0.99 0.37 5.08 -1.89 -1.59 114.58 117.15 1krh h GLU 67 Ca -0.45 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 57.93 1krh h GLU 67 Cb 1.25 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.45 1krh h GLU 67 CO 0.61 0.03 0.65 -0.44 -1.00 0.00 0.00 179.01 178.86 1krh h ASP 68 N 0.00 1.11 0.10 1.42 3.32 -1.92 -3.05 116.42 117.41 1krh h ASP 68 Ca -0.00 -0.02 -0.20 0.00 0.02 0.00 0.00 57.03 56.83 1krh h ASP 68 Cb 0.09 -0.27 0.02 0.00 0.22 0.00 0.00 39.33 39.39 1krh h ASP 68 CO 0.00 0.79 -0.83 0.00 -1.72 0.00 0.00 179.24 177.48 1krh h ALA 69 N 1.38 -0.04 -2.35 3.45 0.00 -1.32 -3.43 119.26 116.94 1krh h ALA 69 Ca 0.37 -0.67 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 1krh h ALA 69 Cb -0.09 0.08 -0.24 0.00 0.00 0.00 0.00 17.79 17.55 1krh h ALA 69 CO -0.10 0.41 -0.14 -1.17 0.00 0.00 0.00 179.25 178.26 1krh s LEU 70 N -8.00 -0.45 0.42 0.00 2.96 -0.89 -4.43 118.68 108.30 1krh s LEU 70 Ca -0.13 1.18 -0.03 0.00 -0.22 0.00 0.00 54.13 54.93 1krh s LEU 70 Cb 0.02 1.85 -0.03 0.00 0.50 0.00 0.00 46.19 48.53 1krh s LEU 70 CO 0.85 -0.21 0.68 0.42 -1.32 0.00 0.00 176.35 176.76 1krh s THR 71 N 1.35 4.96 0.38 3.68 -4.23 -1.24 -3.71 115.64 116.82 1krh s THR 71 Ca -0.08 -0.11 0.06 0.00 -1.18 0.00 0.00 61.69 60.38 1krh s THR 71 Cb -0.06 -3.85 0.28 0.00 1.34 0.00 0.00 72.50 70.20 1krh s THR 71 CO -0.14 -0.71 2.01 -0.65 -0.54 0.00 0.00 174.62 174.59 1krh h PRO 72 N 0.45 0.68 -0.31 3.99 0.11 -1.97 -1.73 132.00 133.22 1krh h PRO 72 Ca -0.48 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.55 1krh h PRO 72 Cb 1.21 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1krh h PRO 72 CO 0.61 0.45 0.04 0.93 -0.21 0.00 0.00 178.00 179.82 1krh h GLU 73 N 0.70 0.52 -0.10 1.05 3.07 -1.99 -1.94 114.58 115.88 1krh h GLU 73 Ca 0.23 -0.15 0.01 0.00 -0.50 0.00 0.00 59.36 58.96 1krh h GLU 73 Cb 0.07 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.91 1krh h GLU 73 CO -0.06 0.63 0.03 0.93 -1.40 0.00 0.00 179.01 179.13 1krh h GLU 74 N 0.34 0.07 -0.93 2.33 5.08 -1.83 -1.86 114.58 117.77 1krh h GLU 74 Ca 0.09 -0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.60 1krh h GLU 74 Cb 0.37 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.52 1krh h GLU 74 CO 0.01 0.05 0.60 0.00 -1.00 0.00 0.00 179.01 178.66 1krh h ALA 75 N 1.07 1.77 -0.05 3.43 0.00 -1.20 0.94 119.26 125.21 1krh h ALA 75 Ca 0.04 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1krh h ALA 75 Cb 0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1krh h ALA 75 CO -0.05 -0.04 -0.48 1.96 0.00 0.00 0.00 179.25 180.64 1krh h GLN 76 N 0.75 0.13 0.00 0.00 4.20 -0.64 -2.74 115.11 116.81 1krh h GLN 76 Ca 0.48 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 59.12 1krh h GLN 76 Cb 0.73 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.51 1krh h GLN 76 CO -0.24 0.59 0.00 1.04 -0.67 0.00 0.00 178.83 179.54 1krh n GLN 77 N -3.96 0.01 0.00 1.46 6.02 0.28 -4.87 117.38 116.31 1krh n GLN 77 Ca -0.02 0.13 0.00 0.00 -0.01 0.00 0.00 57.00 57.10 1krh n GLN 77 Cb 0.52 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.28 1krh n GLN 77 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1krh n GLY 78 N 0.74 0.71 3.79 1.08 0.00 -0.98 -4.97 105.19 105.56 1krh n GLY 78 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 1krh n GLY 78 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1krh s TYR 79 N -2.00 3.07 0.18 1.61 1.51 -0.93 -1.20 117.35 119.59 1krh s TYR 79 Ca 0.00 1.59 -0.01 0.00 -1.01 0.00 0.00 57.07 57.65 1krh s TYR 79 Cb 0.00 -3.10 -0.04 0.00 -0.11 0.00 0.00 41.96 38.71 1krh s TYR 79 CO 0.00 -0.80 0.10 0.14 -1.11 0.00 0.00 175.55 173.88 1krh s VAL 80 N -1.87 0.11 -0.27 0.71 -7.23 -0.18 -4.20 120.40 107.47 1krh s VAL 80 Ca 0.64 -1.97 -0.06 0.00 -1.81 0.00 0.00 61.98 58.79 1krh s VAL 80 Cb -0.18 -2.36 0.00 0.00 0.56 0.00 0.00 36.38 34.40 1krh s VAL 80 CO 0.23 -0.16 0.04 -0.76 -0.31 0.00 0.00 175.10 174.13 1krh s LEU 81 N -3.14 3.52 0.47 1.32 1.43 -1.26 -1.00 118.68 120.01 1krh s LEU 81 Ca 0.34 -0.60 0.20 0.00 -1.03 0.00 0.00 54.13 53.04 1krh s LEU 81 Cb 0.07 -1.83 1.19 0.00 0.03 0.00 0.00 46.19 45.65 1krh s LEU 81 CO 0.09 -0.13 1.94 0.00 0.23 0.00 0.00 176.35 178.48 1krh h ALA 82 N 8.18 2.29 0.00 4.21 0.00 -1.79 0.04 119.26 132.19 1krh h ALA 82 Ca -0.34 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1krh h ALA 82 Cb 1.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1krh h ALA 82 CO 0.60 -0.48 0.00 0.00 0.00 0.00 0.00 179.25 179.37 1krh n GLN 84 N -2.09 4.17 -2.90 0.00 1.13 -0.29 -4.89 117.38 112.51 1krh n GLN 84 Ca 0.04 -0.18 -0.42 0.00 -1.94 0.00 0.00 57.00 54.50 1krh n GLN 84 Cb 0.32 -0.69 -0.04 0.00 0.11 0.00 0.00 30.24 29.93 1krh n GLN 84 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1krh s ARG 86 N 3.06 2.03 0.28 0.00 0.52 -0.01 -0.54 118.95 124.29 1krh s ARG 86 Ca 0.34 -1.97 -0.30 0.00 -0.52 0.00 0.00 55.73 53.29 1krh s ARG 86 Cb -0.14 -3.56 -0.13 0.00 0.52 0.00 0.00 34.95 31.65 1krh s ARG 86 CO 0.13 -1.08 1.36 -2.30 0.02 0.00 0.00 175.30 173.43 1krh n PRO 87 N 4.33 2.05 -0.09 3.54 -0.02 -1.26 -0.82 135.00 142.74 1krh n PRO 87 Ca 0.00 0.73 0.04 0.00 -2.02 0.00 0.00 63.50 62.25 1krh n PRO 87 Cb 0.41 -2.35 0.09 0.00 -0.02 0.00 0.00 33.50 31.62 1krh n PRO 87 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1krh n THR 88 N 1.34 0.69 -3.70 3.45 -2.24 0.36 -4.51 114.28 109.67 1krh n THR 88 Ca 0.09 -0.84 -0.06 0.00 -2.27 0.00 0.00 64.05 60.97 1krh n THR 88 Cb 0.33 0.71 0.02 0.00 -2.10 0.00 0.00 70.33 69.29 1krh n THR 88 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1krh n SER 89 N 0.29 -1.81 -4.76 3.42 3.41 -1.22 -4.91 113.62 108.03 1krh n SER 89 Ca 0.07 -2.19 -0.38 0.00 -0.26 0.00 0.00 58.87 56.10 1krh n SER 89 Cb 0.32 3.01 0.01 0.00 -0.26 0.00 0.00 64.21 67.29 1krh n SER 89 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1krh s ASP 90 N -2.81 5.89 0.24 4.04 1.11 -1.26 -4.65 116.67 119.22 1krh s ASP 90 Ca 0.15 2.61 -0.10 0.00 0.18 0.00 0.00 52.55 55.39 1krh s ASP 90 Cb -0.04 -2.63 -0.01 0.00 1.07 0.00 0.00 42.92 41.31 1krh s ASP 90 CO 0.09 -1.14 0.41 0.00 1.18 0.00 0.00 175.17 175.70 1krh s ALA 91 N -1.35 0.04 -0.06 5.23 0.00 -1.11 -4.17 121.76 120.33 1krh s ALA 91 Ca 0.64 -1.04 0.01 0.00 0.00 0.00 0.00 51.96 51.57 1krh s ALA 91 Cb -0.37 1.13 0.02 0.00 0.00 0.00 0.00 23.12 23.90 1krh s ALA 91 CO 0.45 -0.80 -0.06 0.08 0.00 0.00 0.00 175.76 175.43 1krh s VAL 92 N -4.04 0.72 0.00 0.00 1.01 0.21 -1.34 120.40 116.95 1krh s VAL 92 Ca 0.26 -0.19 0.06 0.00 0.00 0.00 0.00 61.98 62.11 1krh s VAL 92 Cb 0.01 -0.74 -0.02 0.00 0.00 0.00 0.00 36.38 35.63 1krh s VAL 92 CO 0.09 0.28 -0.19 -0.36 0.00 0.00 0.00 175.10 174.92 1krh s PHE 93 N 1.15 1.71 -0.34 5.22 0.40 -0.15 0.01 117.98 125.98 1krh s PHE 93 Ca -0.07 -0.34 -0.14 0.00 -0.60 0.00 0.00 56.93 55.78 1krh s PHE 93 Cb -0.14 -1.08 -0.01 0.00 0.51 0.00 0.00 43.02 42.30 1krh s PHE 93 CO -0.01 0.01 0.30 -0.65 0.70 0.00 0.00 175.22 175.56 1krh s GLN 94 N -0.68 3.52 0.00 0.44 -0.21 0.97 -0.52 119.66 123.17 1krh s GLN 94 Ca 0.07 -0.54 -0.21 0.00 0.02 0.00 0.00 55.36 54.70 1krh s GLN 94 Cb -0.08 -3.81 -0.05 0.00 1.00 0.00 0.00 33.01 30.07 1krh s GLN 94 CO 0.00 -0.49 0.61 0.42 -2.12 0.00 0.00 175.29 173.71 1krh s ILE 95 N 1.86 4.89 0.00 1.08 -1.09 0.58 -2.17 121.20 126.35 1krh s ILE 95 Ca 0.09 1.28 -0.05 0.00 -2.23 0.00 0.00 60.65 59.74 1krh s ILE 95 Cb -0.17 -3.95 -0.23 0.00 -1.58 0.00 0.00 42.46 36.53 1krh s ILE 95 CO 0.11 0.41 3.21 0.00 -1.23 0.00 0.00 174.94 177.44 1krh n GLN 96 N 2.74 1.73 -3.59 2.79 6.02 -1.26 -3.99 117.38 121.82 1krh n GLN 96 Ca -0.06 -0.86 -0.06 0.00 -0.01 0.00 0.00 57.00 56.01 1krh n GLN 96 Cb 0.51 -1.93 -0.02 0.00 1.02 0.00 0.00 30.24 29.83 1krh n GLN 96 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1krh s ALA 97 N 1.25 -1.84 0.52 -1.58 0.00 -1.26 -4.78 121.76 114.06 1krh s ALA 97 Ca 0.58 0.81 -0.09 0.00 0.00 0.00 0.00 51.96 53.26 1krh s ALA 97 Cb 0.28 0.41 -0.04 0.00 0.00 0.00 0.00 23.12 23.76 1krh s ALA 97 CO 0.00 -0.81 0.88 -1.54 0.00 0.00 0.00 175.76 174.29 1krh s SER 98 N -2.61 6.31 0.52 0.00 1.04 -1.26 -1.33 113.70 116.37 1krh s SER 98 Ca 0.08 1.17 0.18 0.00 0.48 0.00 0.00 55.95 57.86 1krh s SER 98 Cb -0.01 -2.35 1.32 0.00 0.10 0.00 0.00 66.02 65.09 1krh s SER 98 CO -0.05 -0.65 2.15 0.77 0.98 0.00 0.00 173.24 176.44 1krh h SER 99 N 0.24 0.00 -0.28 7.02 4.64 -1.92 -2.45 113.55 120.79 1krh h SER 99 Ca -0.46 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.78 1krh h SER 99 Cb 1.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1krh h SER 99 CO 0.62 0.01 -0.14 -0.33 -0.87 0.00 0.00 176.83 176.12 1krh h GLU 100 N 0.00 0.60 0.00 4.77 4.39 -2.01 -2.95 114.58 119.38 1krh h GLU 100 Ca -0.00 -0.26 -0.01 0.00 0.34 0.00 0.00 59.36 59.42 1krh h GLU 100 Cb 0.02 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.66 1krh h GLU 100 CO 0.00 0.84 -0.07 0.28 -1.16 0.00 0.00 179.01 178.90 1krh h VAL 101 N 0.34 1.05 0.00 3.13 2.07 -1.83 -1.30 116.25 119.71 1krh h VAL 101 Ca 0.06 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1krh h VAL 101 Cb 0.66 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1krh h VAL 101 CO 0.04 0.07 0.00 0.00 0.02 0.00 0.00 177.57 177.70 1krh n LYS 103 N -0.73 2.66 -3.93 0.00 5.02 -0.49 -0.99 118.16 119.70 1krh n LYS 103 Ca 0.10 -2.44 -0.21 0.00 -2.02 0.00 0.00 58.31 53.74 1krh n LYS 103 Cb 0.05 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.53 1krh n LYS 103 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1krh s THR 104 N -1.10 4.26 0.10 -0.18 -4.23 -1.14 -5.03 115.64 108.33 1krh s THR 104 Ca 0.41 -1.28 0.07 0.00 -1.18 0.00 0.00 61.69 59.71 1krh s THR 104 Cb 0.22 -3.41 -0.03 0.00 1.34 0.00 0.00 72.50 70.62 1krh s THR 104 CO 0.29 -0.27 -0.18 -0.54 -0.54 0.00 0.00 174.62 173.38 1krh s LYS 105 N -3.95 1.03 0.53 3.99 1.02 -1.26 -4.79 119.74 116.30 1krh s LYS 105 Ca 0.37 -1.12 -0.07 0.00 0.02 0.00 0.00 55.97 55.17 1krh s LYS 105 Cb -0.08 -1.15 -0.04 0.00 -0.52 0.00 0.00 37.83 36.05 1krh s LYS 105 CO 0.27 0.26 0.86 0.96 -0.92 0.00 0.00 175.35 176.77 1krh s ILE 106 N -1.38 4.79 0.15 2.17 -4.36 -1.26 -4.73 121.20 116.58 1krh s ILE 106 Ca 0.05 0.38 -0.11 0.00 -0.26 0.00 0.00 60.65 60.71 1krh s ILE 106 Cb -0.09 -3.85 0.00 0.00 1.25 0.00 0.00 42.46 39.77 1krh s ILE 106 CO 0.04 -0.92 0.32 -1.00 0.24 0.00 0.00 174.94 173.62 1krh s HIS 107 N -2.88 0.21 -0.14 1.37 3.76 -0.20 -4.91 115.29 112.50 1krh s HIS 107 Ca 0.50 -0.58 -0.13 0.00 -0.15 0.00 0.00 55.06 54.70 1krh s HIS 107 Cb -0.10 0.05 -0.05 0.00 1.11 0.00 0.00 32.58 33.59 1krh s HIS 107 CO 0.47 -0.72 0.27 -1.58 -0.85 0.00 0.00 174.74 172.33 1krh s HIS 108 N -3.92 3.50 0.00 1.40 2.46 -1.26 -1.77 115.29 115.71 1krh s HIS 108 Ca 0.12 0.60 0.05 0.00 0.47 0.00 0.00 55.06 56.30 1krh s HIS 108 Cb 0.03 -2.27 -0.03 0.00 -0.13 0.00 0.00 32.58 30.18 1krh s HIS 108 CO -0.04 0.35 -0.15 -0.06 -2.47 0.00 0.00 174.74 172.37 1krh s PHE 109 N 0.11 2.67 -0.07 3.88 0.40 0.13 -4.98 117.98 120.13 1krh s PHE 109 Ca 0.16 -0.18 -0.02 0.00 -0.60 0.00 0.00 56.93 56.29 1krh s PHE 109 Cb -0.13 -1.55 -0.03 0.00 0.51 0.00 0.00 43.02 41.82 1krh s PHE 109 CO 0.04 0.25 0.03 -1.21 0.70 0.00 0.00 175.22 175.02 1krh s GLU 110 N -1.18 3.01 0.00 0.44 0.41 -1.26 -1.93 118.70 118.18 1krh s GLU 110 Ca 0.14 -0.42 0.00 0.00 -0.41 0.00 0.00 54.97 54.28 1krh s GLU 110 Cb -0.11 -2.82 0.00 0.00 -1.78 0.00 0.00 34.13 29.42 1krh s GLU 110 CO 0.04 0.69 0.00 0.41 -0.49 0.00 0.00 175.26 175.91 1krh n GLY 111 N 1.88 1.90 3.05 -1.39 0.00 0.26 -1.79 105.19 109.10 1krh n GLY 111 Ca -0.17 -0.94 -0.13 0.00 0.00 0.00 0.00 46.02 44.78 1krh n GLY 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1krh s THR 112 N -2.85 0.48 -0.63 2.61 -4.23 0.18 -0.54 115.64 110.65 1krh s THR 112 Ca 0.00 -1.03 -0.27 0.00 -1.18 0.00 0.00 61.69 59.21 1krh s THR 112 Cb 0.00 -0.55 0.00 0.00 1.34 0.00 0.00 72.50 73.29 1krh s THR 112 CO 0.00 -0.39 1.57 -0.22 -0.54 0.00 0.00 174.62 175.04 1krh s LEU 113 N -1.52 3.28 0.09 4.79 2.96 0.37 0.64 118.68 129.28 1krh s LEU 113 Ca -0.10 0.10 -0.15 0.00 -0.22 0.00 0.00 54.13 53.76 1krh s LEU 113 Cb -0.10 -2.69 -0.11 0.00 0.50 0.00 0.00 46.19 43.79 1krh s LEU 113 CO 0.00 -2.03 1.37 0.00 -1.32 0.00 0.00 176.35 174.37 1krh h ALA 114 N 12.40 0.37 -2.98 5.97 0.00 -1.38 0.52 119.26 134.15 1krh h ALA 114 Ca -0.27 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.17 1krh h ALA 114 Cb 1.11 -0.06 -0.11 0.00 0.00 0.00 0.00 17.79 18.72 1krh h ALA 114 CO 1.22 0.48 0.19 -0.98 0.00 0.00 0.00 179.25 180.16 1krh s ARG 115 N -4.12 1.33 -0.19 0.00 1.70 -1.20 -4.74 118.95 111.72 1krh s ARG 115 Ca -0.12 -0.56 -0.11 0.00 -0.47 0.00 0.00 55.73 54.47 1krh s ARG 115 Cb 0.08 0.58 0.06 0.00 -0.57 0.00 0.00 34.95 35.11 1krh s ARG 115 CO 0.84 -0.58 0.48 0.54 -1.08 0.00 0.00 175.30 175.50 1krh s VAL 116 N -3.78 -0.02 -0.06 4.99 0.11 -1.26 -1.32 120.40 119.06 1krh s VAL 116 Ca 0.03 0.06 -0.04 0.00 -2.93 0.00 0.00 61.98 59.10 1krh s VAL 116 Cb -0.01 -0.70 0.02 0.00 -1.53 0.00 0.00 36.38 34.16 1krh s VAL 116 CO -0.10 0.03 0.15 -0.70 -3.33 0.00 0.00 175.10 171.15 1krh s GLU 117 N 1.35 0.15 -0.82 1.54 2.12 0.63 -4.99 118.70 118.68 1krh s GLU 117 Ca -0.09 0.27 -0.17 0.00 0.36 0.00 0.00 54.97 55.33 1krh s GLU 117 Cb -0.07 0.00 0.15 0.00 0.26 0.00 0.00 34.13 34.47 1krh s GLU 117 CO -0.13 -0.07 0.92 -0.80 -0.54 0.00 0.00 175.26 174.65 1krh s ASN 118 N 0.44 6.57 0.53 -1.70 0.01 -1.26 -0.92 114.94 118.60 1krh s ASN 118 Ca -0.03 -2.10 0.20 0.00 -0.71 0.00 0.00 52.86 50.23 1krh s ASN 118 Cb -0.04 -2.32 1.36 0.00 0.41 0.00 0.00 41.25 40.66 1krh s ASN 118 CO -0.02 -0.93 2.10 -0.07 -1.51 0.00 0.00 177.10 176.67 1krh h LEU 119 N 9.52 0.00 -7.95 0.60 3.38 -1.65 -3.44 115.31 115.77 1krh h LEU 119 Ca 0.04 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.08 1krh h LEU 119 Cb 1.04 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 1krh h LEU 119 CO 1.00 0.00 0.29 -0.94 0.09 0.00 0.00 178.44 178.88 1krh s SER 120 N -6.67 -0.18 0.23 -0.43 1.04 -1.11 -4.96 113.70 101.62 1krh s SER 120 Ca -0.05 -0.69 0.19 0.00 0.48 0.00 0.00 55.95 55.87 1krh s SER 120 Cb 0.18 0.71 0.90 0.00 0.10 0.00 0.00 66.02 67.91 1krh s SER 120 CO 0.68 -1.34 1.57 0.47 0.98 0.00 0.00 173.24 175.60 1krh n ASP 121 N -0.69 0.47 -0.01 7.02 8.00 -1.26 -2.50 116.55 127.58 1krh n ASP 121 Ca -0.05 0.67 0.06 0.00 0.71 0.00 0.00 54.79 56.18 1krh n ASP 121 Cb 0.59 -0.75 -0.09 0.00 -0.02 0.00 0.00 41.12 40.85 1krh n ASP 121 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1krh n SER 122 N -2.08 2.30 -4.20 -2.24 3.41 -1.26 -4.72 113.62 104.82 1krh n SER 122 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.32 1krh n SER 122 Cb 0.11 1.52 -0.17 0.00 -0.26 0.00 0.00 64.21 65.42 1krh n SER 122 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1krh s THR 123 N -2.81 1.84 -0.00 6.66 2.01 -1.04 0.20 115.64 122.50 1krh s THR 123 Ca -0.04 -0.93 0.08 0.00 0.31 0.00 0.00 61.69 61.11 1krh s THR 123 Cb 0.07 -1.58 -0.02 0.00 0.01 0.00 0.00 72.50 70.98 1krh s THR 123 CO 0.49 0.51 -0.26 -0.63 -0.69 0.00 0.00 174.62 174.04 1krh s ILE 124 N 0.10 2.08 -0.05 1.82 1.01 0.16 -1.57 121.20 124.74 1krh s ILE 124 Ca -0.09 -1.19 0.01 0.00 0.00 0.00 0.00 60.65 59.38 1krh s ILE 124 Cb -0.15 -1.74 0.02 0.00 0.01 0.00 0.00 42.46 40.60 1krh s ILE 124 CO 0.05 0.52 -0.06 0.42 0.00 0.00 0.00 174.94 175.87 1krh s THR 125 N -0.67 0.67 0.06 2.92 -4.23 -0.10 0.48 115.64 114.78 1krh s THR 125 Ca 0.11 -0.18 -0.05 0.00 -1.18 0.00 0.00 61.69 60.39 1krh s THR 125 Cb -0.10 -0.68 -0.02 0.00 1.34 0.00 0.00 72.50 73.04 1krh s THR 125 CO -0.00 0.26 0.08 0.72 -0.54 0.00 0.00 174.62 175.14 1krh s PHE 126 N 1.00 0.32 0.00 3.99 -0.12 -0.97 -0.27 117.98 121.94 1krh s PHE 126 Ca -0.09 -0.77 0.06 0.00 -0.05 0.00 0.00 56.93 56.08 1krh s PHE 126 Cb -0.14 -0.22 -0.02 0.00 -0.63 0.00 0.00 43.02 42.01 1krh s PHE 126 CO -0.00 -0.43 -0.18 -0.51 -0.05 0.00 0.00 175.22 174.04 1krh s ASP 127 N -2.71 2.17 -0.20 1.98 1.01 -0.44 -1.21 116.67 117.28 1krh s ASP 127 Ca 0.03 -0.39 -0.01 0.00 0.71 0.00 0.00 52.55 52.89 1krh s ASP 127 Cb 0.05 -0.22 0.00 0.00 1.01 0.00 0.00 42.92 43.76 1krh s ASP 127 CO -0.09 0.19 -0.12 -0.63 0.21 0.00 0.00 175.17 174.73 1krh s ILE 128 N -0.55 2.77 -0.21 0.77 1.01 0.20 -1.01 121.20 124.17 1krh s ILE 128 Ca 0.07 -0.70 -0.20 0.00 0.00 0.00 0.00 60.65 59.81 1krh s ILE 128 Cb -0.07 -2.22 -0.03 0.00 0.01 0.00 0.00 42.46 40.15 1krh s ILE 128 CO 0.00 0.48 0.60 -1.58 0.00 0.00 0.00 174.94 174.44 1krh s GLN 129 N 1.34 4.18 0.45 2.79 2.00 0.21 -1.84 119.66 128.79 1krh s GLN 129 Ca 0.04 0.54 -0.22 0.00 -2.00 0.00 0.00 55.36 53.73 1krh s GLN 129 Cb -0.14 -3.60 -0.09 0.00 0.80 0.00 0.00 33.01 29.99 1krh s GLN 129 CO -0.07 -0.27 1.04 -0.51 -0.50 0.00 0.00 175.29 174.99 1krh s LEU 130 N 2.02 3.95 0.43 3.68 1.43 -0.86 0.49 118.68 129.82 1krh s LEU 130 Ca 0.27 1.97 -0.14 0.00 -1.03 0.00 0.00 54.13 55.20 1krh s LEU 130 Cb -0.16 -4.42 -0.07 0.00 0.03 0.00 0.00 46.19 41.56 1krh s LEU 130 CO 0.10 -0.68 0.85 -1.81 0.23 0.00 0.00 176.35 175.03 1krh s ASP 131 N -1.82 6.61 0.98 2.29 1.01 -0.74 -4.88 116.67 120.12 1krh s ASP 131 Ca 0.64 1.33 -0.11 0.00 0.71 0.00 0.00 52.55 55.12 1krh s ASP 131 Cb -0.18 -2.40 0.18 0.00 1.01 0.00 0.00 42.92 41.52 1krh s ASP 131 CO 0.23 -0.43 1.11 -0.62 0.21 0.00 0.00 175.17 175.66 1krh s ASP 132 N -2.95 2.47 0.00 0.27 2.15 -1.26 -2.17 116.67 115.18 1krh s ASP 132 Ca 0.55 1.97 0.00 0.00 0.43 0.00 0.00 52.55 55.50 1krh s ASP 132 Cb -0.10 -2.48 0.00 0.00 -0.30 0.00 0.00 42.92 40.03 1krh s ASP 132 CO 0.28 -3.35 0.00 0.61 -0.17 0.00 0.00 175.17 172.55 1krh n GLY 133 N 0.26 2.87 3.70 2.66 0.00 -1.26 -4.96 105.19 108.46 1krh n GLY 133 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1krh n GLY 133 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1krh s GLN 134 N -0.06 4.47 0.57 1.61 -1.52 -0.92 -5.02 119.66 118.79 1krh s GLN 134 Ca 0.00 1.38 -0.19 0.00 -1.95 0.00 0.00 55.36 54.60 1krh s GLN 134 Cb 0.00 -3.51 -0.05 0.00 -0.22 0.00 0.00 33.01 29.24 1krh s GLN 134 CO 0.00 -0.20 1.14 -2.14 -0.25 0.00 0.00 175.29 173.84 1krh s PRO 135 N 1.59 3.20 0.29 2.91 0.02 -1.26 -4.93 135.00 136.82 1krh s PRO 135 Ca 0.49 1.63 -0.30 0.00 0.02 0.00 0.00 61.00 62.85 1krh s PRO 135 Cb -0.19 -1.98 -0.11 0.00 0.02 0.00 0.00 34.50 32.24 1krh s PRO 135 CO 0.22 -0.97 1.48 -0.51 -0.33 0.00 0.00 177.00 176.89 1krh s ASP 136 N -1.82 6.52 -0.03 2.53 1.01 -1.26 -4.94 116.67 118.68 1krh s ASP 136 Ca 0.73 2.83 -0.30 0.00 0.71 0.00 0.00 52.55 56.52 1krh s ASP 136 Cb -0.25 -2.64 -0.03 0.00 1.01 0.00 0.00 42.92 41.02 1krh s ASP 136 CO 0.30 -0.78 1.02 -0.51 0.21 0.00 0.00 175.17 175.40 1krh s ILE 137 N -0.32 4.74 -1.03 0.77 2.07 -1.26 -4.96 121.20 121.22 1krh s ILE 137 Ca 0.58 1.98 -0.10 0.00 -1.41 0.00 0.00 60.65 61.70 1krh s ILE 137 Cb -0.44 -4.27 0.26 0.00 0.13 0.00 0.00 42.46 38.14 1krh s ILE 137 CO 0.49 0.10 1.01 -1.00 -1.91 0.00 0.00 174.94 173.64 1krh s HIS 138 N 1.38 4.13 0.12 3.50 3.76 -1.26 -4.42 115.29 122.50 1krh s HIS 138 Ca 0.52 -2.53 0.06 0.00 -0.15 0.00 0.00 55.06 52.96 1krh s HIS 138 Cb -0.21 -3.82 -0.04 0.00 1.11 0.00 0.00 32.58 29.62 1krh s HIS 138 CO 0.25 -0.95 -0.01 -0.59 -0.85 0.00 0.00 174.74 172.58 1krh s PHE 139 N -0.90 2.91 -0.19 1.40 -0.71 -1.26 -4.82 117.98 114.41 1krh s PHE 139 Ca 0.27 -0.08 -0.14 0.00 -1.04 0.00 0.00 56.93 55.94 1krh s PHE 139 Cb -0.10 -1.48 -0.04 0.00 -1.21 0.00 0.00 43.02 40.19 1krh s PHE 139 CO -0.08 0.48 0.32 -0.51 -1.34 0.00 0.00 175.22 174.08 1krh s LEU 140 N -2.48 4.19 -0.50 -1.99 1.43 -1.26 -4.75 118.68 113.32 1krh s LEU 140 Ca 0.26 0.45 -0.46 0.00 -1.03 0.00 0.00 54.13 53.35 1krh s LEU 140 Cb -0.11 -2.39 -0.20 0.00 0.03 0.00 0.00 46.19 43.52 1krh s LEU 140 CO 0.18 0.02 1.66 0.00 0.23 0.00 0.00 176.35 178.44 1krh n ALA 141 N 4.04 -1.13 0.00 4.21 0.00 -1.26 -1.40 120.51 124.96 1krh n ALA 141 Ca -0.11 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1krh n ALA 141 Cb 0.52 -1.92 0.00 0.00 0.00 0.00 0.00 19.45 18.04 1krh n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1krh n GLY 142 N 4.44 2.13 3.87 0.00 0.00 -1.26 -1.44 105.19 112.92 1krh n GLY 142 Ca 0.34 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.07 1krh n GLY 142 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1krh s GLN 143 N 0.00 1.77 0.31 1.61 -0.21 -0.50 -4.63 119.66 118.02 1krh s GLN 143 Ca 0.00 0.17 0.03 0.00 0.02 0.00 0.00 55.36 55.58 1krh s GLN 143 Cb 0.00 -1.92 -0.06 0.00 1.00 0.00 0.00 33.01 32.03 1krh s GLN 143 CO 0.00 -1.74 0.07 1.52 -2.12 0.00 0.00 175.29 173.02 1krh s TYR 144 N -3.49 1.86 0.09 0.91 -0.85 -0.64 -2.56 117.35 112.67 1krh s TYR 144 Ca 0.62 -1.03 0.03 0.00 -0.52 0.00 0.00 57.07 56.17 1krh s TYR 144 Cb -0.12 -1.19 -0.04 0.00 0.38 0.00 0.00 41.96 40.99 1krh s TYR 144 CO 0.50 -0.09 -0.08 0.14 -1.52 0.00 0.00 175.55 174.50 1krh s VAL 145 N -3.40 0.77 -0.52 -3.49 -7.23 -0.49 -0.49 120.40 105.56 1krh s VAL 145 Ca 0.36 -1.63 -0.17 0.00 -1.81 0.00 0.00 61.98 58.73 1krh s VAL 145 Cb 0.08 -1.31 0.08 0.00 0.56 0.00 0.00 36.38 35.79 1krh s VAL 145 CO 0.15 -0.63 0.55 0.20 -0.31 0.00 0.00 175.10 175.06 1krh s ASN 146 N -2.47 6.19 0.01 4.85 0.01 0.30 -1.26 114.94 122.56 1krh s ASN 146 Ca 0.04 -1.29 -0.29 0.00 -0.71 0.00 0.00 52.86 50.61 1krh s ASN 146 Cb -0.02 -2.25 -0.04 0.00 0.41 0.00 0.00 41.25 39.36 1krh s ASN 146 CO -0.02 -0.86 0.91 -0.69 -1.51 0.00 0.00 177.10 174.94 1krh s VAL 147 N 2.17 4.83 0.20 1.60 1.01 0.32 -1.26 120.40 129.27 1krh s VAL 147 Ca 0.09 1.93 -0.30 0.00 0.00 0.00 0.00 61.98 63.69 1krh s VAL 147 Cb -0.24 -4.26 -0.09 0.00 0.00 0.00 0.00 36.38 31.79 1krh s VAL 147 CO 0.08 0.22 1.39 -0.89 0.00 0.00 0.00 175.10 175.89 1krh s THR 148 N 0.73 2.96 -0.45 3.92 2.01 -0.06 -0.65 115.64 124.11 1krh s THR 148 Ca 0.48 0.77 -0.29 0.00 0.31 0.00 0.00 61.69 62.97 1krh s THR 148 Cb -0.21 -3.49 0.03 0.00 0.01 0.00 0.00 72.50 68.84 1krh s THR 148 CO 0.26 0.11 1.11 -0.22 -0.69 0.00 0.00 174.62 175.19 1krh s LEU 149 N 0.05 3.71 0.11 4.42 2.96 0.07 -4.77 118.68 125.23 1krh s LEU 149 Ca 0.60 0.51 -0.35 0.00 -0.22 0.00 0.00 54.13 54.67 1krh s LEU 149 Cb -0.39 -3.51 -0.18 0.00 0.50 0.00 0.00 46.19 42.61 1krh s LEU 149 CO 0.38 -1.18 0.98 -2.65 -1.32 0.00 0.00 176.35 172.56 1krh n PRO 150 N 7.64 0.41 -0.75 0.98 -0.02 -1.26 -1.28 135.00 140.72 1krh n PRO 150 Ca 0.11 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 1krh n PRO 150 Cb 0.49 -1.53 0.00 0.00 -0.02 0.00 0.00 33.50 32.44 1krh n PRO 150 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1krh n GLY 151 N 1.83 0.82 3.32 -1.23 0.00 -1.26 -5.01 105.19 103.66 1krh n GLY 151 Ca 0.18 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.03 1krh n GLY 151 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1krh n THR 152 N -2.17 0.00 0.70 2.61 -2.24 -0.40 -5.03 114.28 107.75 1krh n THR 152 Ca 0.00 -2.11 0.10 0.00 -2.27 0.00 0.00 64.05 59.76 1krh n THR 152 Cb 0.00 1.16 0.10 0.00 -2.10 0.00 0.00 70.33 69.49 1krh n THR 152 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1krh n THR 153 N -0.61 0.09 -1.62 4.28 -2.24 -1.26 -4.59 114.28 108.32 1krh n THR 153 Ca 0.04 -0.55 -0.30 0.00 -2.27 0.00 0.00 64.05 60.97 1krh n THR 153 Cb 0.60 1.32 0.07 0.00 -2.10 0.00 0.00 70.33 70.22 1krh n THR 153 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1krh s GLU 154 N -1.54 2.38 0.13 -0.78 2.02 -1.26 -4.90 118.70 114.74 1krh s GLU 154 Ca 0.24 0.65 -0.02 0.00 0.02 0.00 0.00 54.97 55.87 1krh s GLU 154 Cb 0.16 -1.95 -0.04 0.00 0.10 0.00 0.00 34.13 32.41 1krh s GLU 154 CO 0.24 -1.42 0.07 0.95 0.02 0.00 0.00 175.26 175.12 1krh s THR 155 N -3.18 0.11 -0.02 3.63 -4.23 -1.26 -0.75 115.64 109.94 1krh s THR 155 Ca 0.60 -1.87 0.01 0.00 -1.18 0.00 0.00 61.69 59.25 1krh s THR 155 Cb -0.14 -2.00 0.01 0.00 1.34 0.00 0.00 72.50 71.72 1krh s THR 155 CO 0.54 -0.48 -0.01 -0.13 -0.54 0.00 0.00 174.62 174.00 1krh s ARG 156 N -4.04 0.28 0.03 3.99 1.81 0.18 -4.87 118.95 116.33 1krh s ARG 156 Ca 0.23 -0.00 -0.30 0.00 -1.72 0.00 0.00 55.73 53.93 1krh s ARG 156 Cb 0.07 -0.38 -0.04 0.00 -0.45 0.00 0.00 34.95 34.16 1krh s ARG 156 CO 0.01 -0.05 1.04 -1.12 -0.68 0.00 0.00 175.30 174.50 1krh s SER 157 N 0.56 7.30 -0.02 0.23 0.01 -1.26 -0.52 113.70 119.99 1krh s SER 157 Ca -0.05 1.77 -0.01 0.00 1.31 0.00 0.00 55.95 58.97 1krh s SER 157 Cb -0.08 -2.57 0.02 0.00 0.21 0.00 0.00 66.02 63.59 1krh s SER 157 CO -0.01 -0.30 0.04 -0.31 0.41 0.00 0.00 173.24 173.07 1krh s TYR 158 N 0.94 -0.02 0.12 2.43 4.12 -0.39 -4.97 117.35 119.59 1krh s TYR 158 Ca 0.53 0.14 -0.27 0.00 0.02 0.00 0.00 57.07 57.50 1krh s TYR 158 Cb -0.23 -0.11 -0.07 0.00 -1.52 0.00 0.00 41.96 40.03 1krh s TYR 158 CO 0.29 -0.06 0.84 -1.12 0.02 0.00 0.00 175.55 175.51 1krh s SER 159 N 0.59 7.38 0.20 2.29 0.01 -1.26 -1.40 113.70 121.51 1krh s SER 159 Ca -0.05 1.64 -0.31 0.00 1.31 0.00 0.00 55.95 58.55 1krh s SER 159 Cb -0.07 -2.52 -0.10 0.00 0.21 0.00 0.00 66.02 63.54 1krh s SER 159 CO -0.02 0.06 1.53 -0.36 0.41 0.00 0.00 173.24 174.87 1krh s PHE 160 N -0.46 3.02 -0.88 2.43 0.40 -1.06 -4.50 117.98 116.92 1krh s PHE 160 Ca 0.40 0.77 0.19 0.00 -0.60 0.00 0.00 56.93 57.68 1krh s PHE 160 Cb -0.23 -3.91 -0.21 0.00 0.51 0.00 0.00 43.02 39.19 1krh s PHE 160 CO 0.27 -3.21 0.80 -1.13 0.70 0.00 0.00 175.22 172.65 1krh n SER 161 N 3.27 0.89 -4.91 1.36 3.41 0.17 -4.11 113.62 113.71 1krh n SER 161 Ca 0.11 -0.94 -0.28 0.00 -0.26 0.00 0.00 58.87 57.50 1krh n SER 161 Cb 0.39 1.01 -0.03 0.00 -0.26 0.00 0.00 64.21 65.32 1krh n SER 161 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1krh s SER 162 N -2.80 6.43 0.27 4.04 1.04 -1.13 -3.79 113.70 117.76 1krh s SER 162 Ca 0.07 0.73 -0.24 0.00 0.48 0.00 0.00 55.95 56.99 1krh s SER 162 Cb 0.14 -2.15 -0.09 0.00 0.10 0.00 0.00 66.02 64.02 1krh s SER 162 CO 0.77 -0.24 0.85 -1.58 0.98 0.00 0.00 173.24 174.03 1krh s GLN 163 N -3.69 4.48 0.40 4.02 0.74 -1.26 -4.67 119.66 119.68 1krh s GLN 163 Ca 0.44 1.16 -0.23 0.00 0.05 0.00 0.00 55.36 56.78 1krh s GLN 163 Cb -0.11 -2.88 -0.13 0.00 1.10 0.00 0.00 33.01 30.99 1krh s GLN 163 CO 0.31 0.35 0.63 -2.30 -0.55 0.00 0.00 175.29 173.74 1krh n PRO 164 N 0.74 0.69 0.00 1.67 -0.02 -1.26 -2.49 135.00 134.32 1krh n PRO 164 Ca -0.00 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1krh n PRO 164 Cb 0.50 -1.58 0.00 0.00 -0.02 0.00 0.00 33.50 32.41 1krh n PRO 164 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1krh n GLY 165 N 1.68 3.02 3.57 -1.23 0.00 -1.26 -4.99 105.19 105.98 1krh n GLY 165 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1krh n GLY 165 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1krh s ASN 166 N -0.14 6.09 0.00 1.61 3.84 -1.04 -4.80 114.94 120.50 1krh s ASN 166 Ca 0.00 0.16 0.00 0.00 0.21 0.00 0.00 52.86 53.23 1krh s ASN 166 Cb 0.00 -2.55 0.00 0.00 -0.55 0.00 0.00 41.25 38.15 1krh s ASN 166 CO 0.00 -1.76 0.70 0.54 -2.79 0.00 0.00 177.10 173.78 1krh n ARG 167 N 8.80 0.00 -3.39 0.43 1.74 -1.26 -3.52 116.66 119.46 1krh n ARG 167 Ca 0.11 0.21 -0.45 0.00 -0.77 0.00 0.00 57.85 56.95 1krh n ARG 167 Cb 0.49 -1.51 -0.05 0.00 -1.02 0.00 0.00 32.46 30.38 1krh n ARG 167 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1krh s LEU 168 N -2.40 6.24 0.11 0.55 2.96 -1.26 -2.02 118.68 122.86 1krh s LEU 168 Ca 0.00 -2.19 -0.20 0.00 -0.22 0.00 0.00 54.13 51.52 1krh s LEU 168 Cb 0.00 -2.15 -0.07 0.00 0.50 0.00 0.00 46.19 44.47 1krh s LEU 168 CO 0.00 -0.70 0.61 0.42 -1.32 0.00 0.00 176.35 175.36 1krh s THR 169 N 0.95 4.68 0.14 3.68 -4.23 -0.76 -4.86 115.64 115.24 1krh s THR 169 Ca 0.10 1.25 0.09 0.00 -1.18 0.00 0.00 61.69 61.94 1krh s THR 169 Cb -0.22 -3.91 -0.04 0.00 1.34 0.00 0.00 72.50 69.67 1krh s THR 169 CO -0.02 0.49 -0.20 -0.83 -0.54 0.00 0.00 174.62 173.52 1krh s GLY 170 N -1.23 1.37 0.03 3.99 0.00 -1.26 -0.63 107.32 109.60 1krh s GLY 170 Ca 0.32 -1.42 -0.04 0.00 0.00 0.00 0.00 44.72 43.58 1krh s GLY 170 CO 0.20 -1.45 0.06 -1.36 0.00 0.00 0.00 173.10 170.56 1krh s PHE 171 N -1.68 0.24 -0.21 1.90 0.40 -0.35 0.44 117.98 118.72 1krh s PHE 171 Ca 0.13 -0.55 0.01 0.00 -0.60 0.00 0.00 56.93 55.92 1krh s PHE 171 Cb -0.07 -0.17 0.05 0.00 0.51 0.00 0.00 43.02 43.33 1krh s PHE 171 CO 0.06 -0.33 -0.10 0.08 0.70 0.00 0.00 175.22 175.63 1krh s VAL 172 N -2.46 1.71 -0.00 -0.44 1.01 -1.26 -2.29 120.40 116.67 1krh s VAL 172 Ca -0.06 -1.13 0.06 0.00 0.00 0.00 0.00 61.98 60.84 1krh s VAL 172 Cb -0.02 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 1krh s VAL 172 CO -0.04 0.11 -0.18 -0.69 0.00 0.00 0.00 175.10 174.29 1krh s VAL 173 N 1.35 1.44 0.18 2.92 1.01 0.18 -4.82 120.40 122.65 1krh s VAL 173 Ca -0.03 -0.84 -0.30 0.00 0.00 0.00 0.00 61.98 60.81 1krh s VAL 173 Cb -0.17 -1.21 -0.08 0.00 0.00 0.00 0.00 36.38 34.92 1krh s VAL 173 CO -0.08 0.35 1.11 -0.60 0.00 0.00 0.00 175.10 175.89 1krh s ARG 174 N -0.56 4.58 -0.89 2.72 6.06 -1.26 0.35 118.95 129.95 1krh s ARG 174 Ca 0.07 1.74 -0.24 0.00 -2.50 0.00 0.00 55.73 54.79 1krh s ARG 174 Cb -0.07 -3.27 0.05 0.00 0.06 0.00 0.00 34.95 31.72 1krh s ARG 174 CO -0.00 0.05 1.33 1.21 -2.50 0.00 0.00 175.30 175.39 1krh s ASN 175 N -0.08 6.37 -0.33 -2.12 3.04 0.13 -4.86 114.94 117.09 1krh s ASN 175 Ca 0.50 -1.12 -0.29 0.00 0.04 0.00 0.00 52.86 51.98 1krh s ASN 175 Cb -0.30 -2.54 0.01 0.00 -1.54 0.00 0.00 41.25 36.88 1krh s ASN 175 CO 0.35 -1.58 1.23 -0.69 -3.04 0.00 0.00 177.10 173.37 1krh s VAL 176 N 4.98 4.23 0.08 -5.21 1.01 -1.26 -4.84 120.40 119.38 1krh s VAL 176 Ca 0.39 1.38 -0.35 0.00 0.00 0.00 0.00 61.98 63.40 1krh s VAL 176 Cb -0.04 -4.28 -0.15 0.00 0.00 0.00 0.00 36.38 31.91 1krh s VAL 176 CO 0.00 -0.56 1.54 -2.65 0.00 0.00 0.00 175.10 173.43 1krh n PRO 177 N 7.31 1.72 -0.94 2.72 -0.02 -1.26 0.01 135.00 144.54 1krh n PRO 177 Ca 0.14 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 1krh n PRO 177 Cb 0.47 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 1krh n PRO 177 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1krh n GLN 178 N 3.59 -0.51 -2.51 -0.52 7.27 -1.26 -4.99 117.38 118.45 1krh n GLN 178 Ca 0.19 0.13 -0.40 0.00 0.07 0.00 0.00 57.00 56.99 1krh n GLN 178 Cb 0.24 -3.60 -0.04 0.00 2.41 0.00 0.00 30.24 29.24 1krh n GLN 178 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 1krh s GLY 179 N -2.00 3.04 0.03 1.69 0.00 0.10 -4.96 107.32 105.22 1krh s GLY 179 Ca 0.00 0.85 -0.25 0.00 0.00 0.00 0.00 44.72 45.32 1krh s GLY 179 CO 0.00 1.43 1.46 0.50 0.00 0.00 0.00 173.10 176.49 1krh h LYS 180 N 3.70 -0.20 -0.48 2.90 1.57 -1.94 0.09 116.57 122.22 1krh h LYS 180 Ca -0.47 0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.20 1krh h LYS 180 Cb 1.21 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.55 1krh h LYS 180 CO 0.66 0.05 -0.21 1.98 -0.57 0.00 0.00 179.45 181.37 1krh h MET 181 N -0.44 0.98 -0.93 3.15 4.05 -1.96 -2.05 114.93 117.74 1krh h MET 181 Ca -0.02 -0.42 0.06 0.00 -0.28 0.00 0.00 59.70 59.04 1krh h MET 181 Cb 0.34 -0.03 -0.06 0.00 -0.80 0.00 0.00 31.60 31.05 1krh h MET 181 CO 0.03 1.09 0.59 0.77 0.23 0.00 0.00 176.91 179.63 1krh h SER 182 N 0.83 0.95 0.42 1.39 0.02 -1.85 0.03 113.55 115.33 1krh h SER 182 Ca 0.11 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 1krh h SER 182 Cb 0.78 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.14 1krh h SER 182 CO 0.07 0.61 -0.20 -0.08 -1.14 0.00 0.00 176.83 176.08 1krh h GLU 183 N 1.09 -0.55 -0.16 3.45 4.57 -0.74 -0.86 114.58 121.38 1krh h GLU 183 Ca 0.40 0.04 0.04 0.00 -1.18 0.00 0.00 59.36 58.66 1krh h GLU 183 Cb 0.14 0.12 -0.07 0.00 -0.16 0.00 0.00 28.75 28.79 1krh h GLU 183 CO -0.16 -0.28 -0.48 -0.92 -1.18 0.00 0.00 179.01 175.99 1krh h TYR 184 N -0.74 -1.39 -0.16 0.92 3.20 -0.88 -0.36 116.97 117.56 1krh h TYR 184 Ca -0.06 0.06 0.01 0.00 3.14 0.00 0.00 58.73 61.88 1krh h TYR 184 Cb 0.52 0.63 -0.01 0.00 1.54 0.00 0.00 36.73 39.41 1krh h TYR 184 CO -0.01 -0.51 0.07 -0.07 -1.64 0.00 0.00 178.16 176.01 1krh h LEU 185 N -0.52 0.10 -0.66 2.82 3.38 -0.99 0.96 115.31 120.41 1krh h LEU 185 Ca 0.06 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 1krh h LEU 185 Cb 0.65 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1krh h LEU 185 CO -0.44 0.08 -0.48 0.77 0.09 0.00 0.00 178.44 178.47 1krh h SER 186 N 0.16 0.00 0.00 -0.43 4.64 -1.00 -3.39 113.55 113.52 1krh h SER 186 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1krh h SER 186 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1krh h SER 186 CO -0.05 0.48 -0.01 0.52 -0.87 0.00 0.00 176.83 176.90 1krh n VAL 187 N -3.49 0.89 -0.02 0.95 0.31 -0.16 -4.92 118.33 111.89 1krh n VAL 187 Ca 0.00 0.29 -0.18 0.00 -0.01 0.00 0.00 64.34 64.45 1krh n VAL 187 Cb 0.60 -1.43 -0.07 0.00 -0.91 0.00 0.00 33.84 32.03 1krh n VAL 187 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1krh h GLN 188 N -0.01 0.80 -6.40 5.55 4.20 -1.45 -3.46 115.11 114.33 1krh h GLN 188 Ca 0.00 -0.66 -0.63 0.00 0.06 0.00 0.00 58.65 57.42 1krh h GLN 188 Cb 0.01 0.14 0.07 0.00 0.30 0.00 0.00 27.48 28.00 1krh h GLN 188 CO 0.00 1.27 0.49 0.00 -0.67 0.00 0.00 178.83 179.92 1krh n ALA 189 N -2.61 -0.03 -2.82 3.87 0.00 0.33 -5.00 120.51 114.24 1krh n ALA 189 Ca -0.08 0.46 -0.14 0.00 0.00 0.00 0.00 53.44 53.69 1krh n ALA 189 Cb 0.76 -2.15 -0.13 0.00 0.00 0.00 0.00 19.45 17.92 1krh n ALA 189 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1krh s LYS 190 N 0.08 0.40 0.27 0.00 1.02 -1.26 -4.97 119.74 115.27 1krh s LYS 190 Ca 0.76 -0.38 -0.30 0.00 0.02 0.00 0.00 55.97 56.07 1krh s LYS 190 Cb -0.80 -0.28 -0.13 0.00 -0.52 0.00 0.00 37.83 36.09 1krh s LYS 190 CO 0.48 0.07 1.28 0.00 -0.92 0.00 0.00 175.35 176.25 1krh n ALA 191 N 2.38 0.73 0.00 5.17 0.00 -1.26 -2.19 120.51 125.34 1krh n ALA 191 Ca -0.17 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1krh n ALA 191 Cb 0.57 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.82 1krh n ALA 191 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1krh n GLY 192 N 1.61 2.57 3.76 0.00 0.00 0.17 -5.00 105.19 108.31 1krh n GLY 192 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 1krh n GLY 192 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1krh s ASP 193 N -1.55 5.93 0.19 1.61 1.11 -0.93 -4.65 116.67 118.37 1krh s ASP 193 Ca 0.00 2.49 -0.30 0.00 0.18 0.00 0.00 52.55 54.92 1krh s ASP 193 Cb 0.00 -2.62 -0.08 0.00 1.07 0.00 0.00 42.92 41.30 1krh s ASP 193 CO 0.00 -1.10 0.96 -0.54 1.18 0.00 0.00 175.17 175.67 1krh s LYS 194 N -2.68 4.78 0.05 8.23 3.01 -1.26 0.14 119.74 132.00 1krh s LYS 194 Ca 0.65 1.49 0.04 0.00 -1.01 0.00 0.00 55.97 57.13 1krh s LYS 194 Cb -0.34 -3.32 -0.02 0.00 -1.01 0.00 0.00 37.83 33.14 1krh s LYS 194 CO 0.41 0.37 -0.11 -1.64 0.51 0.00 0.00 175.35 174.89 1krh s MET 195 N -0.67 0.68 0.04 1.68 -1.94 0.30 -4.79 119.30 114.60 1krh s MET 195 Ca 0.44 -0.79 -0.09 0.00 -1.71 0.00 0.00 55.69 53.54 1krh s MET 195 Cb -0.25 -0.58 0.00 0.00 2.01 0.00 0.00 34.83 36.01 1krh s MET 195 CO 0.31 0.13 0.18 -1.54 -0.01 0.00 0.00 175.02 174.09 1krh s SER 196 N -1.47 0.06 0.16 3.03 1.04 -1.26 0.90 113.70 116.15 1krh s SER 196 Ca -0.05 -0.40 -0.15 0.00 0.48 0.00 0.00 55.95 55.83 1krh s SER 196 Cb -0.09 0.28 0.02 0.00 0.10 0.00 0.00 66.02 66.33 1krh s SER 196 CO 0.01 -0.55 0.43 0.72 0.98 0.00 0.00 173.24 174.83 1krh s PHE 197 N -2.60 -0.07 0.04 5.02 -0.12 -0.81 -0.88 117.98 118.56 1krh s PHE 197 Ca -0.05 -0.27 0.07 0.00 -0.05 0.00 0.00 56.93 56.64 1krh s PHE 197 Cb -0.01 0.26 -0.03 0.00 -0.63 0.00 0.00 43.02 42.61 1krh s PHE 197 CO -0.04 -0.79 -0.21 0.99 -0.05 0.00 0.00 175.22 175.12 1krh s THR 198 N -3.86 1.71 -5.00 -4.49 2.01 -0.39 0.22 115.64 105.85 1krh s THR 198 Ca 0.08 -1.21 0.00 0.00 0.31 0.00 0.00 61.69 60.87 1krh s THR 198 Cb 0.01 -1.48 0.00 0.00 0.01 0.00 0.00 72.50 71.04 1krh s THR 198 CO -0.06 0.23 0.00 0.61 -0.69 0.00 0.00 174.62 174.71 1krh n GLY 199 N 1.87 -0.04 3.87 4.40 0.00 -0.73 -0.54 105.19 114.02 1krh n GLY 199 Ca -0.17 -1.26 -0.30 0.00 0.00 0.00 0.00 46.02 44.28 1krh n GLY 199 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1krh s PRO 200 N -2.00 3.03 0.20 1.61 0.04 -1.26 -1.03 135.00 135.59 1krh s PRO 200 Ca 0.00 0.60 0.05 0.00 0.04 0.00 0.00 61.00 61.69 1krh s PRO 200 Cb 0.00 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.46 1krh s PRO 200 CO 0.00 -0.94 -0.07 -0.06 0.04 0.00 0.00 177.00 175.97 1krh s PHE 201 N -3.27 1.50 0.00 0.56 0.08 0.36 -4.76 117.98 112.45 1krh s PHE 201 Ca 0.57 -0.78 0.00 0.00 0.12 0.00 0.00 56.93 56.85 1krh s PHE 201 Cb -0.11 -0.80 0.00 0.00 -0.57 0.00 0.00 43.02 41.54 1krh s PHE 201 CO 0.53 0.10 0.00 0.41 -0.10 0.00 0.00 175.22 176.16 1krh n GLY 202 N -0.34 3.03 0.98 4.36 0.00 -1.26 -1.62 105.19 110.35 1krh n GLY 202 Ca -0.08 -1.50 0.11 0.00 0.00 0.00 0.00 46.02 44.55 1krh n GLY 202 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1krh n SER 203 N 0.00 3.08 -4.44 1.61 3.41 -1.26 -4.83 113.62 111.19 1krh n SER 203 Ca 0.00 -1.95 -0.44 0.00 -0.26 0.00 0.00 58.87 56.22 1krh n SER 203 Cb 0.00 -0.10 -0.08 0.00 -0.26 0.00 0.00 64.21 63.77 1krh n SER 203 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1krh s PHE 204 N -1.70 3.17 0.13 7.33 5.36 -1.26 -4.93 117.98 126.07 1krh s PHE 204 Ca 0.30 -0.61 -0.25 0.00 -0.96 0.00 0.00 56.93 55.42 1krh s PHE 204 Cb 0.20 -3.11 0.07 0.00 -0.34 0.00 0.00 43.02 39.84 1krh s PHE 204 CO 0.29 -0.80 0.85 1.52 -1.46 0.00 0.00 175.22 175.61 1krh s TYR 205 N 2.06 -0.27 0.04 10.12 -0.85 -1.26 -3.14 117.35 124.05 1krh s TYR 205 Ca 0.10 0.01 -0.30 0.00 -0.52 0.00 0.00 57.07 56.35 1krh s TYR 205 Cb -0.20 0.61 -0.08 0.00 0.38 0.00 0.00 41.96 42.67 1krh s TYR 205 CO 0.11 -0.81 1.77 -1.17 -1.52 0.00 0.00 175.55 173.93 1krh s LEU 206 N -2.77 4.38 0.00 -3.49 2.96 -0.52 -5.00 118.68 114.24 1krh s LEU 206 Ca 0.08 2.53 0.04 0.00 -0.22 0.00 0.00 54.13 56.55 1krh s LEU 206 Cb -0.02 -3.55 0.06 0.00 0.50 0.00 0.00 46.19 43.19 1krh s LEU 206 CO -0.03 -0.96 0.47 0.54 -1.32 0.00 0.00 176.35 175.05 1krh n ARG 207 N 6.55 0.61 -1.91 1.98 3.00 -1.26 -4.92 116.66 120.70 1krh n ARG 207 Ca 0.18 -1.64 -0.42 0.00 -0.01 0.00 0.00 57.85 55.95 1krh n ARG 207 Cb 0.41 -0.21 -0.03 0.00 0.00 0.00 0.00 32.46 32.63 1krh n ARG 207 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1krh s ASP 208 N -3.05 6.60 -1.18 0.55 1.01 -1.26 -4.87 116.67 114.46 1krh s ASP 208 Ca 0.34 2.43 -0.21 0.00 0.71 0.00 0.00 52.55 55.82 1krh s ASP 208 Cb -0.02 -2.55 -0.01 0.00 1.01 0.00 0.00 42.92 41.35 1krh s ASP 208 CO 0.22 -0.93 1.82 -0.69 0.21 0.00 0.00 175.17 175.80 1krh s VAL 209 N 3.47 3.78 -2.12 -1.27 1.01 -1.26 -4.62 120.40 119.39 1krh s VAL 209 Ca 0.76 -1.21 0.17 0.00 0.00 0.00 0.00 61.98 61.71 1krh s VAL 209 Cb -0.38 -4.79 0.17 0.00 0.00 0.00 0.00 36.38 31.38 1krh s VAL 209 CO 0.33 -1.45 1.08 2.29 0.00 0.00 0.00 175.10 177.35 1krh n LYS 210 N 8.44 1.55 -3.83 2.72 2.85 -1.26 -4.51 118.16 124.11 1krh n LYS 210 Ca 0.45 -1.61 -0.07 0.00 -1.05 0.00 0.00 58.31 56.02 1krh n LYS 210 Cb 0.47 -1.34 0.00 0.00 -0.65 0.00 0.00 35.03 33.51 1krh n LYS 210 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 177.40 176.37 1krh s ARG 211 N -1.41 1.93 0.44 -1.58 1.70 -1.26 -4.93 118.95 113.84 1krh s ARG 211 Ca 0.22 -1.17 -0.25 0.00 -0.47 0.00 0.00 55.73 54.05 1krh s ARG 211 Cb 0.15 0.59 -0.09 0.00 -0.57 0.00 0.00 34.95 35.03 1krh s ARG 211 CO 0.22 -0.90 1.40 -2.30 -1.08 0.00 0.00 175.30 172.65 1krh n PRO 212 N -0.51 2.21 -4.33 3.89 -0.02 -1.26 -4.64 135.00 130.34 1krh n PRO 212 Ca -0.06 0.78 -0.24 0.00 -2.02 0.00 0.00 63.50 61.97 1krh n PRO 212 Cb 0.60 -2.58 -0.08 0.00 -0.02 0.00 0.00 33.50 31.41 1krh n PRO 212 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1krh s VAL 213 N -1.19 3.00 -0.19 -1.45 1.01 0.18 -1.50 120.40 120.26 1krh s VAL 213 Ca 0.61 -2.02 -0.04 0.00 0.00 0.00 0.00 61.98 60.53 1krh s VAL 213 Cb -0.46 -2.73 0.09 0.00 0.00 0.00 0.00 36.38 33.28 1krh s VAL 213 CO 0.58 -0.32 0.26 -0.22 0.00 0.00 0.00 175.10 175.39 1krh s LEU 214 N -3.66 -0.24 -0.10 3.92 2.96 -0.45 -2.04 118.68 119.08 1krh s LEU 214 Ca 0.32 0.05 -0.04 0.00 -0.22 0.00 0.00 54.13 54.24 1krh s LEU 214 Cb -0.04 0.58 -0.04 0.00 0.50 0.00 0.00 46.19 47.19 1krh s LEU 214 CO 0.19 -0.30 0.07 -0.04 -1.32 0.00 0.00 176.35 174.95 1krh s MET 215 N 2.38 3.20 -0.16 1.98 -1.94 0.92 -0.95 119.30 124.73 1krh s MET 215 Ca 0.07 -0.28 -0.01 0.00 -1.71 0.00 0.00 55.69 53.76 1krh s MET 215 Cb -0.15 -2.98 0.04 0.00 2.01 0.00 0.00 34.83 33.76 1krh s MET 215 CO -0.12 0.74 -0.04 -0.51 -0.01 0.00 0.00 175.02 175.09 1krh s LEU 216 N -0.96 1.51 -0.01 -0.03 1.43 0.89 -1.52 118.68 119.98 1krh s LEU 216 Ca 0.14 -0.66 0.07 0.00 -1.03 0.00 0.00 54.13 52.66 1krh s LEU 216 Cb -0.12 -0.84 -0.02 0.00 0.03 0.00 0.00 46.19 45.24 1krh s LEU 216 CO 0.03 -0.20 -0.23 0.00 0.23 0.00 0.00 176.35 176.18 1krh s ALA 217 N 1.68 2.33 -0.09 4.21 0.00 -0.57 -1.22 121.76 128.11 1krh s ALA 217 Ca 0.01 -1.11 0.01 0.00 0.00 0.00 0.00 51.96 50.87 1krh s ALA 217 Cb -0.15 -0.66 0.02 0.00 0.00 0.00 0.00 23.12 22.33 1krh s ALA 217 CO -0.07 0.54 -0.11 0.20 0.00 0.00 0.00 175.76 176.32 1krh s GLY 218 N -0.78 0.82 0.00 0.00 0.00 -0.44 -0.85 107.32 106.07 1krh s GLY 218 Ca 0.11 -0.49 0.00 0.00 0.00 0.00 0.00 44.72 44.34 1krh s GLY 218 CO 0.00 0.37 0.00 0.61 0.00 0.00 0.00 173.10 174.08 1krh n GLY 219 N 4.24 3.23 0.00 0.20 0.00 -0.47 -0.55 105.19 111.83 1krh n GLY 219 Ca -0.19 -0.25 0.07 0.00 0.00 0.00 0.00 46.02 45.65 1krh n GLY 219 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1krh n THR 220 N 0.00 0.00 0.19 2.61 -2.24 -1.26 -2.79 114.28 110.79 1krh n THR 220 Ca 0.00 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.80 1krh n THR 220 Cb 0.00 -0.62 0.10 0.00 -2.10 0.00 0.00 70.33 67.72 1krh n THR 220 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1krh n GLY 221 N 0.12 -0.48 0.17 3.38 0.00 0.28 -0.65 105.19 108.01 1krh n GLY 221 Ca 0.11 -0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.24 1krh n GLY 221 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1krh h ILE 222 N 0.00 0.00 0.07 -0.61 6.09 -1.72 -3.36 117.51 117.97 1krh h ILE 222 Ca 0.00 -0.51 0.02 0.00 -1.37 0.00 0.00 64.86 63.00 1krh h ILE 222 Cb 0.05 1.43 -0.05 0.00 0.47 0.00 0.00 36.82 38.71 1krh h ILE 222 CO 0.00 0.00 -0.52 0.00 -3.07 0.00 0.00 178.15 174.56 1krh h ALA 223 N 2.25 -0.95 -0.83 0.18 0.00 -1.18 -1.74 119.26 116.99 1krh h ALA 223 Ca 0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1krh h ALA 223 Cb 0.63 0.91 -0.04 0.00 0.00 0.00 0.00 17.79 19.29 1krh h ALA 223 CO 0.00 -1.11 0.51 -1.00 0.00 0.00 0.00 179.25 177.65 1krh h PRO 224 N -0.71 1.11 0.00 0.00 0.13 -1.71 -2.08 132.00 128.74 1krh h PRO 224 Ca 0.01 -0.09 -0.01 0.00 -0.87 0.00 0.00 66.00 65.03 1krh h PRO 224 Cb 0.74 -0.24 -0.00 0.00 0.13 0.00 0.00 31.00 31.63 1krh h PRO 224 CO -0.32 0.77 -0.05 0.74 -0.23 0.00 0.00 178.00 178.91 1krh h PHE 225 N 1.14 0.00 -0.09 1.56 -1.00 -1.68 -0.10 116.94 116.77 1krh h PHE 225 Ca 0.30 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.98 1krh h PHE 225 Cb -0.07 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.48 1krh h PHE 225 CO 0.00 0.05 -0.41 -0.07 -1.61 0.00 0.00 178.31 176.27 1krh h LEU 226 N 0.00 0.20 0.08 1.54 3.38 -0.60 0.20 115.31 120.11 1krh h LEU 226 Ca -0.00 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1krh h LEU 226 Cb 0.10 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1krh h LEU 226 CO 0.01 0.59 -0.04 -1.28 0.09 0.00 0.00 178.44 177.81 1krh h SER 227 N 0.16 -0.09 -0.91 -0.43 0.87 -1.00 -2.81 113.55 109.34 1krh h SER 227 Ca 0.01 -0.46 0.14 0.00 -1.23 0.00 0.00 61.79 60.25 1krh h SER 227 Cb 0.80 0.02 -0.09 0.00 -0.44 0.00 0.00 62.40 62.70 1krh h SER 227 CO 0.06 0.45 0.52 0.24 -0.53 0.00 0.00 176.83 177.57 1krh h MET 228 N -0.67 0.75 -0.06 2.24 2.86 -0.98 -1.88 114.93 117.19 1krh h MET 228 Ca -0.01 -0.05 -0.13 0.00 -2.06 0.00 0.00 59.70 57.45 1krh h MET 228 Cb 0.54 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 1krh h MET 228 CO 0.02 0.50 -0.56 -0.07 1.06 0.00 0.00 176.91 177.86 1krh h LEU 229 N 0.77 0.21 -1.20 1.22 3.38 -0.99 0.29 115.31 118.98 1krh h LEU 229 Ca 0.48 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 58.28 1krh h LEU 229 Cb 0.59 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1krh h LEU 229 CO -0.32 0.72 -0.27 1.56 0.09 0.00 0.00 178.44 180.23 1krh h GLN 230 N 0.14 0.00 0.15 1.13 4.20 -1.08 -3.19 115.11 116.46 1krh h GLN 230 Ca -0.00 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.35 1krh h GLN 230 Cb 1.03 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.80 1krh h GLN 230 CO 0.08 0.27 -1.88 0.28 -0.67 0.00 0.00 178.83 176.91 1krh h VAL 231 N 0.00 0.77 0.00 -0.54 2.07 -1.11 -3.40 116.25 114.04 1krh h VAL 231 Ca -0.00 -2.43 -0.02 0.00 0.82 0.00 0.00 66.70 65.07 1krh h VAL 231 Cb 0.72 2.62 -0.00 0.00 -1.52 0.00 0.00 31.29 33.11 1krh h VAL 231 CO 0.03 0.88 -0.09 0.25 0.02 0.00 0.00 177.57 178.67 1krh h LEU 232 N 0.09 0.00 0.00 2.57 5.85 -0.97 -2.99 115.31 119.87 1krh h LEU 232 Ca -0.39 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.33 1krh h LEU 232 Cb 2.06 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.09 1krh h LEU 232 CO 0.13 0.09 0.00 -1.84 -0.34 0.00 0.00 178.44 176.48 1krh n GLU 233 N -3.21 0.16 -0.11 1.25 0.28 -1.21 -1.43 120.64 116.37 1krh n GLU 233 Ca 0.01 0.10 -0.25 0.00 -0.16 0.00 0.00 57.16 56.85 1krh n GLU 233 Cb 0.37 -1.50 -0.11 0.00 1.43 0.00 0.00 31.44 31.63 1krh n GLU 233 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1krh n GLN 234 N -1.39 0.60 0.23 3.44 6.02 -1.13 -4.31 117.38 120.83 1krh n GLN 234 Ca 0.08 0.37 0.11 0.00 -0.01 0.00 0.00 57.00 57.55 1krh n GLN 234 Cb 0.22 -1.60 0.47 0.00 1.02 0.00 0.00 30.24 30.34 1krh n GLN 234 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1krh h LYS 235 N -0.83 0.00 -0.39 -1.09 3.64 -1.61 -3.49 116.57 112.80 1krh h LYS 235 Ca -0.54 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 58.88 1krh h LYS 235 Cb 1.56 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.37 1krh h LYS 235 CO -0.28 0.18 -0.07 0.41 -2.27 0.00 0.00 179.45 177.42 1krh n GLY 236 N 0.24 -1.42 3.10 5.01 0.00 -0.51 -4.99 105.19 106.62 1krh n GLY 236 Ca 0.01 -1.49 -0.12 0.00 0.00 0.00 0.00 46.02 44.41 1krh n GLY 236 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1krh s SER 237 N -2.91 -0.28 0.11 1.61 0.15 -1.26 -4.93 113.70 106.19 1krh s SER 237 Ca 0.00 0.54 0.24 0.00 0.70 0.00 0.00 55.95 57.43 1krh s SER 237 Cb 0.00 0.48 0.26 0.00 -1.71 0.00 0.00 66.02 65.04 1krh s SER 237 CO 0.00 -0.14 1.24 -0.33 1.20 0.00 0.00 173.24 175.21 1krh h GLU 238 N 6.61 0.00 -5.69 5.44 4.39 -1.94 -3.47 114.58 119.92 1krh h GLU 238 Ca -0.35 0.00 -0.51 0.00 0.34 0.00 0.00 59.36 58.84 1krh h GLU 238 Cb 1.17 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 29.68 1krh h GLU 238 CO 0.36 0.00 -0.71 -1.01 -1.16 0.00 0.00 179.01 176.49 1krh s HIS 239 N -3.19 1.99 0.28 4.33 3.76 -1.26 -5.04 115.29 116.16 1krh s HIS 239 Ca 0.05 -0.58 -0.29 0.00 -0.15 0.00 0.00 55.06 54.09 1krh s HIS 239 Cb 0.13 -1.03 -0.10 0.00 1.11 0.00 0.00 32.58 32.70 1krh s HIS 239 CO 0.74 0.41 1.19 -2.14 -0.85 0.00 0.00 174.74 174.09 1krh s PRO 240 N -3.65 4.51 -0.10 8.40 0.02 -1.26 -4.84 135.00 138.08 1krh s PRO 240 Ca 0.28 1.96 0.02 0.00 0.02 0.00 0.00 61.00 63.28 1krh s PRO 240 Cb 0.01 -3.16 0.01 0.00 0.02 0.00 0.00 34.50 31.39 1krh s PRO 240 CO 0.11 0.02 -0.15 0.08 -0.33 0.00 0.00 177.00 176.73 1krh s VAL 241 N -0.95 1.45 -0.02 3.83 1.01 -1.25 0.50 120.40 124.97 1krh s VAL 241 Ca 0.48 -0.62 0.05 0.00 0.00 0.00 0.00 61.98 61.89 1krh s VAL 241 Cb -0.35 -1.33 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 1krh s VAL 241 CO 0.44 0.43 -0.17 -0.13 0.00 0.00 0.00 175.10 175.68 1krh s ARG 242 N 0.97 1.47 -0.05 2.72 0.52 -0.86 -3.67 118.95 120.04 1krh s ARG 242 Ca -0.07 -0.60 0.06 0.00 -0.52 0.00 0.00 55.73 54.60 1krh s ARG 242 Cb -0.15 -1.38 -0.01 0.00 0.52 0.00 0.00 34.95 33.93 1krh s ARG 242 CO -0.01 0.33 -0.24 -1.17 0.02 0.00 0.00 175.30 174.23 1krh s LEU 243 N -0.26 2.15 -0.23 2.53 2.96 -0.83 -0.05 118.68 124.95 1krh s LEU 243 Ca 0.03 -0.47 0.02 0.00 -0.22 0.00 0.00 54.13 53.50 1krh s LEU 243 Cb -0.08 -1.39 0.05 0.00 0.50 0.00 0.00 46.19 45.27 1krh s LEU 243 CO 0.00 0.26 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.48 1krh s VAL 244 N -0.27 2.00 -0.42 1.68 1.01 -0.58 -1.07 120.40 122.75 1krh s VAL 244 Ca -0.00 -1.34 -0.11 0.00 0.00 0.00 0.00 61.98 60.54 1krh s VAL 244 Cb -0.13 -2.05 0.07 0.00 0.00 0.00 0.00 36.38 34.27 1krh s VAL 244 CO 0.03 0.13 0.28 0.12 0.00 0.00 0.00 175.10 175.66 1krh s PHE 245 N 1.22 3.31 -0.12 5.22 5.99 0.97 -1.51 117.98 133.05 1krh s PHE 245 Ca -0.04 -1.33 -0.04 0.00 0.00 0.00 0.00 56.93 55.53 1krh s PHE 245 Cb -0.18 -2.93 -0.03 0.00 0.00 0.00 0.00 43.02 39.88 1krh s PHE 245 CO -0.07 -0.81 0.01 0.20 -0.00 0.00 0.00 175.22 174.55 1krh s GLY 246 N 2.14 1.85 0.17 13.12 0.00 -0.03 -0.37 107.32 124.19 1krh s GLY 246 Ca 0.03 -0.79 0.02 0.00 0.00 0.00 0.00 44.72 43.99 1krh s GLY 246 CO 0.04 -0.32 -0.02 -1.34 0.00 0.00 0.00 173.10 171.45 1krh s VAL 247 N -0.37 0.80 -0.03 1.40 -7.23 0.02 -1.37 120.40 113.62 1krh s VAL 247 Ca 0.07 -1.99 -0.24 0.00 -1.81 0.00 0.00 61.98 58.02 1krh s VAL 247 Cb -0.12 -2.05 -0.21 0.00 0.56 0.00 0.00 36.38 34.55 1krh s VAL 247 CO 0.02 -0.55 1.12 0.74 -0.31 0.00 0.00 175.10 176.13 1krh h THR 248 N 2.71 1.48 -4.15 5.32 2.02 -1.95 -1.01 112.91 117.33 1krh h THR 248 Ca -0.37 -1.73 -0.14 0.00 0.77 0.00 0.00 66.41 64.94 1krh h THR 248 Cb 1.20 2.50 -0.14 0.00 -1.74 0.00 0.00 68.15 69.98 1krh h THR 248 CO 0.63 0.48 -0.47 0.00 0.37 0.00 0.00 175.52 176.53 1krh s GLN 249 N -3.50 1.08 0.38 6.66 -2.07 -1.26 -1.02 119.66 119.93 1krh s GLN 249 Ca -0.15 -1.32 0.12 0.00 -1.82 0.00 0.00 55.36 52.19 1krh s GLN 249 Cb 0.02 0.32 0.92 0.00 -1.09 0.00 0.00 33.01 33.18 1krh s GLN 249 CO 0.74 -0.36 1.88 -0.44 -1.32 0.00 0.00 175.29 175.78 1krh h ASP 250 N 2.67 0.55 0.29 12.60 3.32 -1.93 -1.56 116.42 132.36 1krh h ASP 250 Ca -0.33 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.76 1krh h ASP 250 Cb 1.22 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.70 1krh h ASP 250 CO 0.52 0.27 0.00 0.00 -1.72 0.00 0.00 179.24 178.31 1krh n ASP 252 N -1.44 0.62 -4.75 0.00 8.00 -0.59 -4.58 116.55 113.81 1krh n ASP 252 Ca 0.03 -0.15 -0.40 0.00 0.71 0.00 0.00 54.79 54.98 1krh n ASP 252 Cb 0.10 0.45 0.02 0.00 -0.02 0.00 0.00 41.12 41.67 1krh n ASP 252 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1krh n LEU 253 N -1.86 5.05 -3.49 0.64 4.77 -0.74 -4.91 117.00 116.46 1krh n LEU 253 Ca 0.03 1.11 -0.16 0.00 -0.03 0.00 0.00 56.01 56.96 1krh n LEU 253 Cb 0.40 -1.59 -0.05 0.00 -2.33 0.00 0.00 43.42 39.86 1krh n LEU 253 CO 0.38 -0.24 0.44 0.54 -1.33 0.00 0.00 177.39 177.18 1krh s VAL 254 N -1.20 0.00 -1.95 4.08 0.11 -1.26 -4.95 120.40 115.23 1krh s VAL 254 Ca 0.62 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.67 1krh s VAL 254 Cb -0.45 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.40 1krh s VAL 254 CO 0.57 0.00 0.00 0.00 -3.33 0.00 0.00 175.10 172.34 1krh n ALA 255 N 0.49 -0.41 -0.18 1.54 0.00 -1.26 -4.89 120.51 115.81 1krh n ALA 255 Ca -0.18 0.26 -0.11 0.00 0.00 0.00 0.00 53.44 53.41 1krh n ALA 255 Cb 0.60 -2.03 0.01 0.00 0.00 0.00 0.00 19.45 18.02 1krh n ALA 255 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1krh h LEU 256 N 0.00 1.03 0.01 0.00 3.38 -1.98 0.11 115.31 117.86 1krh h LEU 256 Ca -0.43 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.18 1krh h LEU 256 Cb 1.31 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1krh h LEU 256 CO 0.58 1.16 -0.01 -0.33 0.09 0.00 0.00 178.44 179.93 1krh h GLU 257 N 0.90 -0.02 -0.27 1.13 3.07 -2.00 0.72 114.58 118.10 1krh h GLU 257 Ca 0.13 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 59.03 1krh h GLU 257 Cb 0.71 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.59 1krh h GLU 257 CO 0.05 0.06 0.09 0.37 -1.40 0.00 0.00 179.01 178.18 1krh h GLN 258 N -0.09 0.20 -0.72 2.33 4.15 -1.93 -2.77 115.11 116.28 1krh h GLN 258 Ca -0.00 -0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.36 1krh h GLN 258 Cb 0.08 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.70 1krh h GLN 258 CO 0.00 0.13 0.25 -0.07 -1.93 0.00 0.00 178.83 177.22 1krh h LEU 259 N 0.20 1.00 -1.58 -2.39 3.38 -0.51 -2.35 115.31 113.07 1krh h LEU 259 Ca 0.12 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1krh h LEU 259 Cb 0.10 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1krh h LEU 259 CO -0.13 0.91 0.16 0.44 0.09 0.00 0.00 178.44 179.91 1krh h ASP 260 N 1.05 0.39 0.22 -0.43 3.32 -0.62 -2.72 116.42 117.63 1krh h ASP 260 Ca 0.24 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 1krh h ASP 260 Cb 0.25 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1krh h ASP 260 CO -0.01 0.33 -0.11 0.00 -1.72 0.00 0.00 179.24 177.73 1krh h ALA 261 N 1.73 -0.30 -0.83 3.45 0.00 -1.16 -1.28 119.26 120.88 1krh h ALA 261 Ca 0.11 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.04 1krh h ALA 261 Cb 0.04 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 1krh h ALA 261 CO -0.02 -0.67 0.54 -0.07 0.00 0.00 0.00 179.25 179.04 1krh h LEU 262 N -0.30 0.75 -0.69 0.00 3.38 -1.40 2.30 115.31 119.35 1krh h LEU 262 Ca -0.03 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 1krh h LEU 262 Cb 0.23 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1krh h LEU 262 CO 0.05 0.46 -0.58 -0.61 0.09 0.00 0.00 178.44 177.85 1krh h GLN 263 N 0.84 0.24 0.00 1.13 4.15 -1.30 0.91 115.11 121.08 1krh h GLN 263 Ca 0.37 -0.16 -0.14 0.00 0.77 0.00 0.00 58.65 59.49 1krh h GLN 263 Cb 0.35 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.04 1krh h GLN 263 CO -0.14 0.75 -0.93 0.37 -1.93 0.00 0.00 178.83 176.94 1krh h GLN 264 N 0.18 0.00 -0.13 1.69 4.15 0.03 -3.39 115.11 117.65 1krh h GLN 264 Ca -0.00 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.34 1krh h GLN 264 Cb 1.07 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.75 1krh h GLN 264 CO 0.09 0.68 -0.28 -0.22 -1.93 0.00 0.00 178.83 177.18 1krh h LYS 265 N -1.00 0.23 -4.94 1.69 3.64 0.37 -3.40 116.57 113.16 1krh h LYS 265 Ca -0.22 -0.08 -0.67 0.00 -1.27 0.00 0.00 60.65 58.41 1krh h LYS 265 Cb 1.02 -0.02 -0.32 0.00 -0.41 0.00 0.00 32.23 32.50 1krh h LYS 265 CO -0.13 0.50 -0.76 -0.51 -2.27 0.00 0.00 179.45 176.28 1krh s LEU 266 N -8.49 3.02 0.44 5.20 1.43 0.31 -5.00 118.68 115.59 1krh s LEU 266 Ca -0.05 -0.78 0.17 0.00 -1.03 0.00 0.00 54.13 52.45 1krh s LEU 266 Cb 0.14 -1.65 1.00 0.00 0.03 0.00 0.00 46.19 45.71 1krh s LEU 266 CO 0.75 -0.10 1.94 -0.65 0.23 0.00 0.00 176.35 178.53 1krh h PRO 267 N 8.02 0.00 -0.99 1.29 0.11 -1.78 -3.15 132.00 135.50 1krh h PRO 267 Ca -0.35 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.76 1krh h PRO 267 Cb 1.12 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1krh h PRO 267 CO 0.59 0.24 0.00 -2.67 -0.21 0.00 0.00 178.00 175.95 1krh n TRP 268 N -4.04 0.04 -3.83 0.65 4.27 -1.26 -4.83 117.44 108.44 1krh n TRP 268 Ca -0.02 -0.03 -0.13 0.00 -3.89 0.00 0.00 57.50 53.43 1krh n TRP 268 Cb 0.31 -0.11 -0.14 0.00 -1.36 0.00 0.00 31.31 30.01 1krh n TRP 268 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 1krh s PHE 269 N -1.00 -0.06 0.00 -2.67 5.36 -1.19 -3.92 117.98 114.50 1krh s PHE 269 Ca 0.01 0.18 0.00 0.00 -0.96 0.00 0.00 56.93 56.17 1krh s PHE 269 Cb 0.01 -0.04 -0.00 0.00 -0.34 0.00 0.00 43.02 42.65 1krh s PHE 269 CO 0.00 -0.06 -0.01 -1.83 -1.46 0.00 0.00 175.22 171.87 1krh s GLU 270 N 0.35 0.08 0.02 10.12 -1.05 -1.24 -4.20 118.70 122.77 1krh s GLU 270 Ca -0.03 -0.09 -0.07 0.00 -0.15 0.00 0.00 54.97 54.63 1krh s GLU 270 Cb -0.04 -0.04 -0.00 0.00 -0.44 0.00 0.00 34.13 33.61 1krh s GLU 270 CO -0.01 0.01 0.13 1.52 0.95 0.00 0.00 175.26 177.86 1krh s TYR 271 N -0.17 0.08 0.02 4.83 -0.85 -1.26 -1.96 117.35 118.05 1krh s TYR 271 Ca -0.01 -0.24 0.05 0.00 -0.52 0.00 0.00 57.07 56.34 1krh s TYR 271 Cb -0.01 -0.07 -0.02 0.00 0.38 0.00 0.00 41.96 42.24 1krh s TYR 271 CO -0.00 -0.32 -0.15 1.03 -1.52 0.00 0.00 175.55 174.59 1krh s ARG 272 N -1.79 1.03 -0.09 -3.49 0.52 -0.23 -4.99 118.95 109.91 1krh s ARG 272 Ca -0.12 -0.69 -0.02 0.00 -0.52 0.00 0.00 55.73 54.39 1krh s ARG 272 Cb -0.06 -1.04 -0.03 0.00 0.52 0.00 0.00 34.95 34.35 1krh s ARG 272 CO -0.00 0.27 -0.02 0.95 0.02 0.00 0.00 175.30 176.51 1krh s THR 273 N -0.68 4.13 -0.06 0.02 -4.23 -1.26 -0.02 115.64 113.53 1krh s THR 273 Ca 0.03 -0.31 0.03 0.00 -1.18 0.00 0.00 61.69 60.26 1krh s THR 273 Cb -0.07 -2.74 0.01 0.00 1.34 0.00 0.00 72.50 71.04 1krh s THR 273 CO 0.01 0.59 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.85 1krh s VAL 274 N -0.67 1.22 -0.15 2.29 1.01 0.50 -3.77 120.40 120.83 1krh s VAL 274 Ca 0.10 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.55 1krh s VAL 274 Cb -0.12 -1.09 0.00 0.00 0.00 0.00 0.00 36.38 35.17 1krh s VAL 274 CO 0.02 0.37 -0.18 -0.69 0.00 0.00 0.00 175.10 174.62 1krh s VAL 275 N 0.49 2.46 0.19 2.92 1.01 -0.30 -0.80 120.40 126.37 1krh s VAL 275 Ca -0.12 -0.84 -0.10 0.00 0.00 0.00 0.00 61.98 60.92 1krh s VAL 275 Cb -0.15 -2.02 0.10 0.00 0.00 0.00 0.00 36.38 34.31 1krh s VAL 275 CO 0.04 0.53 1.72 0.00 0.00 0.00 0.00 175.10 177.38 1krh h ALA 276 N 7.31 0.88 -2.62 5.51 0.00 -0.80 -0.84 119.26 128.71 1krh h ALA 276 Ca -0.33 -0.22 -0.60 0.00 0.00 0.00 0.00 54.91 53.77 1krh h ALA 276 Cb 1.19 -0.26 -0.39 0.00 0.00 0.00 0.00 17.79 18.33 1krh h ALA 276 CO 0.56 0.56 -0.84 -1.01 0.00 0.00 0.00 179.25 178.52 1krh s HIS 277 N -5.40 1.79 0.44 0.00 3.76 -0.19 -4.26 115.29 111.44 1krh s HIS 277 Ca -0.12 -2.56 -0.20 0.00 -0.15 0.00 0.00 55.06 52.02 1krh s HIS 277 Cb 0.14 -1.46 -0.10 0.00 1.11 0.00 0.00 32.58 32.26 1krh s HIS 277 CO 0.83 -0.75 0.96 0.00 -0.85 0.00 0.00 174.74 174.93 1krh s ALA 278 N -0.25 3.03 0.00 -1.40 0.00 -1.26 -4.38 121.76 117.51 1krh s ALA 278 Ca 0.29 0.38 0.00 0.00 0.00 0.00 0.00 51.96 52.63 1krh s ALA 278 Cb -0.02 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 19.95 1krh s ALA 278 CO -0.16 0.06 0.22 0.39 0.00 0.00 0.00 175.76 176.26 1krh n GLU 279 N -0.78 3.42 -3.68 0.00 -0.58 -1.26 -5.03 120.64 112.73 1krh n GLU 279 Ca 0.07 -0.22 -0.22 0.00 -0.42 0.00 0.00 57.16 56.38 1krh n GLU 279 Cb 0.54 -0.71 -0.01 0.00 -0.57 0.00 0.00 31.44 30.69 1krh n GLU 279 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1krh s SER 280 N -0.55 6.26 0.01 1.62 0.15 -1.26 -5.04 113.70 114.89 1krh s SER 280 Ca 0.00 0.19 0.22 0.00 0.70 0.00 0.00 55.95 57.06 1krh s SER 280 Cb 0.00 -1.85 -0.18 0.00 -1.71 0.00 0.00 66.02 62.28 1krh s SER 280 CO 0.00 -0.21 0.77 0.00 1.20 0.00 0.00 173.24 175.00 1krh n GLN 281 N -1.59 0.39 -2.95 5.44 10.64 -1.26 -4.61 117.38 123.44 1krh n GLN 281 Ca -0.06 -0.08 -0.29 0.00 -1.83 0.00 0.00 57.00 54.74 1krh n GLN 281 Cb 0.57 -1.55 -0.04 0.00 -0.86 0.00 0.00 30.24 28.36 1krh n GLN 281 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 1krh n HIS 282 N -2.01 3.81 -3.62 2.61 8.25 -1.26 -5.00 115.22 118.00 1krh n HIS 282 Ca -0.00 -3.79 -0.13 0.00 -0.26 0.00 0.00 57.72 53.53 1krh n HIS 282 Cb 0.47 -0.61 -0.07 0.00 1.12 0.00 0.00 29.99 30.90 1krh n HIS 282 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 1krh s GLU 283 N -3.48 0.79 0.47 -0.41 -1.05 -1.26 -5.15 118.70 108.62 1krh s GLU 283 Ca 0.46 0.86 -0.24 0.00 -0.15 0.00 0.00 54.97 55.90 1krh s GLU 283 Cb 0.25 0.39 -0.08 0.00 -0.44 0.00 0.00 34.13 34.25 1krh s GLU 283 CO -0.12 -0.11 1.31 0.54 0.95 0.00 0.00 175.26 177.83 1krh n ARG 284 N 2.43 1.89 -4.46 -4.83 1.74 -1.25 -4.88 116.66 107.31 1krh n ARG 284 Ca -0.14 0.68 -0.31 0.00 -0.77 0.00 0.00 57.85 57.31 1krh n ARG 284 Cb 0.55 -2.48 -0.11 0.00 -1.02 0.00 0.00 32.46 29.41 1krh n ARG 284 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1krh s LYS 285 N -2.47 2.23 0.00 5.56 1.02 -1.26 -1.15 119.74 123.67 1krh s LYS 285 Ca 0.65 -0.92 0.00 0.00 0.02 0.00 0.00 55.97 55.71 1krh s LYS 285 Cb -0.46 -2.32 0.00 0.00 -0.52 0.00 0.00 37.83 34.53 1krh s LYS 285 CO 0.55 0.55 0.00 0.41 -0.92 0.00 0.00 175.35 175.94 1krh n GLY 286 N 1.27 0.20 3.34 -3.33 0.00 -0.32 -4.82 105.19 101.54 1krh n GLY 286 Ca -0.15 -1.88 -0.18 0.00 0.00 0.00 0.00 46.02 43.81 1krh n GLY 286 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1krh s TYR 287 N -0.57 1.63 0.21 1.61 1.51 -1.26 -2.39 117.35 118.09 1krh s TYR 287 Ca 0.00 -0.75 -0.16 0.00 -1.01 0.00 0.00 57.07 55.16 1krh s TYR 287 Cb 0.00 -0.88 0.22 0.00 -0.11 0.00 0.00 41.96 41.20 1krh s TYR 287 CO 0.00 0.16 1.60 0.28 -1.11 0.00 0.00 175.55 176.48 1krh h VAL 288 N 2.51 0.23 -0.08 0.71 2.07 -1.94 -0.95 116.25 118.80 1krh h VAL 288 Ca -0.38 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.16 1krh h VAL 288 Cb 1.22 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1krh h VAL 288 CO 0.64 0.00 0.17 0.71 0.02 0.00 0.00 177.57 179.11 1krh h THR 289 N -0.06 0.23 -0.02 2.57 1.35 -1.98 -0.84 112.91 114.15 1krh h THR 289 Ca 0.30 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.16 1krh h THR 289 Cb 0.54 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 1krh h THR 289 CO -0.72 0.00 -0.02 0.61 -0.25 0.00 0.00 175.52 175.14 1krh n GLY 290 N -1.26 0.19 0.56 5.82 0.00 -0.36 -4.17 105.19 105.96 1krh n GLY 290 Ca -0.01 -0.50 0.06 0.00 0.00 0.00 0.00 46.02 45.57 1krh n GLY 290 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1krh n HIS 291 N 0.39 0.00 -3.34 1.61 8.25 -0.32 -4.95 115.22 116.85 1krh n HIS 291 Ca 0.17 -0.96 -0.45 0.00 -0.26 0.00 0.00 57.72 56.22 1krh n HIS 291 Cb 0.41 -0.17 -0.06 0.00 1.12 0.00 0.00 29.99 31.29 1krh n HIS 291 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1krh s ILE 292 N -2.12 5.11 0.34 1.59 1.01 -1.21 -5.01 121.20 120.90 1krh s ILE 292 Ca 0.30 -1.49 -0.29 0.00 0.00 0.00 0.00 60.65 59.17 1krh s ILE 292 Cb 0.29 -4.27 -0.11 0.00 0.01 0.00 0.00 42.46 38.39 1krh s ILE 292 CO -0.04 -0.84 1.46 -1.61 0.00 0.00 0.00 174.94 173.91 1krh s GLU 293 N 1.58 4.19 0.13 2.79 0.41 -1.26 -4.92 118.70 121.61 1krh s GLU 293 Ca 0.03 2.46 -0.28 0.00 -0.41 0.00 0.00 54.97 56.78 1krh s GLU 293 Cb -0.29 -3.02 -0.08 0.00 -1.78 0.00 0.00 34.13 28.96 1krh s GLU 293 CO 0.03 -0.46 1.47 -0.92 -0.49 0.00 0.00 175.26 174.89 1krh h TYR 294 N 3.64 -1.56 0.00 1.61 3.20 -2.02 0.16 116.97 122.00 1krh h TYR 294 Ca -0.49 0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.47 1krh h TYR 294 Cb 1.23 0.76 0.00 0.00 1.54 0.00 0.00 36.73 40.26 1krh h TYR 294 CO 0.56 -0.37 0.13 -0.40 -1.64 0.00 0.00 178.16 176.44 1krh n ASP 295 N -4.97 0.00 0.03 -2.11 5.68 -1.26 -0.24 116.55 113.68 1krh n ASP 295 Ca -0.01 0.37 0.14 0.00 -0.50 0.00 0.00 54.79 54.79 1krh n ASP 295 Cb 0.26 -0.37 0.53 0.00 -1.14 0.00 0.00 41.12 40.39 1krh n ASP 295 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1krh n TRP 296 N -1.37 0.28 0.86 2.11 7.02 0.54 -3.21 117.44 123.68 1krh n TRP 296 Ca -0.00 0.08 0.09 0.00 -1.02 0.00 0.00 57.50 56.66 1krh n TRP 296 Cb 0.13 -0.62 -0.12 0.00 -2.42 0.00 0.00 31.31 28.28 1krh n TRP 296 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 1krh n LEU 297 N -1.74 0.86 -4.17 -0.99 4.77 0.67 -4.73 117.00 111.67 1krh n LEU 297 Ca 0.06 -0.46 -0.33 0.00 -0.03 0.00 0.00 56.01 55.26 1krh n LEU 297 Cb 0.37 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.42 1krh n LEU 297 CO 0.29 0.21 -0.14 -3.20 -1.33 0.00 0.00 177.39 173.22 1krh n ASN 298 N -1.53 -1.88 -0.88 -1.43 5.15 -1.20 -1.37 115.26 112.12 1krh n ASN 298 Ca 0.03 -1.05 -0.12 0.00 -0.60 0.00 0.00 54.58 52.84 1krh n ASN 298 Cb 0.33 -2.66 -0.05 0.00 -0.53 0.00 0.00 39.78 36.87 1krh n ASN 298 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1krh n GLY 299 N -1.68 1.11 0.00 8.20 0.00 -1.26 -1.98 105.19 109.58 1krh n GLY 299 Ca -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1krh n GLY 299 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1krh n GLY 300 N 0.09 2.29 2.72 -0.02 0.00 -0.47 -5.00 105.19 104.81 1krh n GLY 300 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 1krh n GLY 300 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1krh n GLU 301 N -0.48 3.06 -3.55 1.61 -0.58 -0.84 -2.30 120.64 117.56 1krh n GLU 301 Ca 0.00 -2.75 -0.11 0.00 -0.42 0.00 0.00 57.16 53.88 1krh n GLU 301 Cb 0.00 -3.19 -0.03 0.00 -0.57 0.00 0.00 31.44 27.65 1krh n GLU 301 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1krh s VAL 302 N 2.58 0.04 -0.27 2.62 0.11 -1.26 -4.36 120.40 119.87 1krh s VAL 302 Ca 0.47 -0.35 -0.04 0.00 -2.93 0.00 0.00 61.98 59.13 1krh s VAL 302 Cb 0.14 -1.11 0.02 0.00 -1.53 0.00 0.00 36.38 33.89 1krh s VAL 302 CO -0.07 -0.18 0.01 -1.81 -3.33 0.00 0.00 175.10 169.71 1krh s ASP 303 N -2.78 4.70 -0.18 3.54 -0.00 -0.56 -0.01 116.67 121.37 1krh s ASP 303 Ca 0.02 -0.77 -0.08 0.00 -0.00 0.00 0.00 52.55 51.73 1krh s ASP 303 Cb 0.01 -1.77 -0.04 0.00 -0.00 0.00 0.00 42.92 41.12 1krh s ASP 303 CO -0.12 -0.15 0.07 -0.69 -0.00 0.00 0.00 175.17 174.28 1krh s VAL 304 N 1.41 4.85 -0.12 -1.27 1.01 0.33 -1.33 120.40 125.28 1krh s VAL 304 Ca 0.02 -0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.01 1krh s VAL 304 Cb -0.17 -3.19 -0.00 0.00 0.00 0.00 0.00 36.38 33.02 1krh s VAL 304 CO -0.01 0.46 -0.20 -0.31 0.00 0.00 0.00 175.10 175.04 1krh s TYR 305 N 0.35 2.67 -0.06 5.22 1.51 -0.12 -0.66 117.35 126.26 1krh s TYR 305 Ca 0.04 -0.99 0.02 0.00 -1.01 0.00 0.00 57.07 55.12 1krh s TYR 305 Cb -0.12 -1.78 0.02 0.00 -0.11 0.00 0.00 41.96 39.96 1krh s TYR 305 CO -0.00 -0.41 -0.09 -1.17 -1.11 0.00 0.00 175.55 172.77 1krh s LEU 306 N 0.48 1.50 -0.12 -1.29 2.96 0.33 -0.08 118.68 122.47 1krh s LEU 306 Ca -0.13 -0.22 -0.09 0.00 -0.22 0.00 0.00 54.13 53.46 1krh s LEU 306 Cb -0.17 -0.66 0.04 0.00 0.50 0.00 0.00 46.19 45.90 1krh s LEU 306 CO 0.05 -0.01 0.30 0.00 -1.32 0.00 0.00 176.35 175.37 1krh n GLY 308 N 3.41 -1.10 3.71 0.00 0.00 -1.12 -1.33 105.19 108.76 1krh n GLY 308 Ca -0.17 -1.01 -0.32 0.00 0.00 0.00 0.00 46.02 44.52 1krh n GLY 308 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1krh s PRO 309 N -1.17 1.62 0.16 1.61 0.02 -1.26 -1.02 135.00 134.95 1krh s PRO 309 Ca 0.00 1.57 -0.22 0.00 0.02 0.00 0.00 61.00 62.38 1krh s PRO 309 Cb 0.00 -1.79 0.05 0.00 0.02 0.00 0.00 34.50 32.78 1krh s PRO 309 CO 0.00 -2.19 1.63 0.28 -0.33 0.00 0.00 177.00 176.39 1krh h VAL 310 N -1.17 0.37 -1.01 3.83 2.07 -1.91 -1.05 116.25 117.38 1krh h VAL 310 Ca -0.45 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.10 1krh h VAL 310 Cb 1.27 0.37 -0.06 0.00 -1.52 0.00 0.00 31.29 31.36 1krh h VAL 310 CO 0.46 0.00 0.66 -0.65 0.02 0.00 0.00 177.57 178.06 1krh h PRO 311 N -0.22 1.27 -0.24 1.57 0.11 -1.96 -0.58 132.00 131.96 1krh h PRO 311 Ca 0.16 -0.08 -0.02 0.00 0.11 0.00 0.00 66.00 66.17 1krh h PRO 311 Cb 0.46 -0.29 -0.01 0.00 0.11 0.00 0.00 31.00 31.28 1krh h PRO 311 CO -0.43 0.84 0.05 1.98 -0.21 0.00 0.00 178.00 180.23 1krh h MET 312 N 1.31 0.39 -0.41 1.05 1.85 -1.80 -1.13 114.93 116.18 1krh h MET 312 Ca 0.39 -0.10 0.00 0.00 -0.61 0.00 0.00 59.70 59.39 1krh h MET 312 Cb -0.05 -0.05 -0.02 0.00 0.43 0.00 0.00 31.60 31.91 1krh h MET 312 CO -0.11 0.50 0.26 0.28 -0.40 0.00 0.00 176.91 177.44 1krh h VAL 313 N 0.21 1.12 -0.35 -5.77 2.07 -0.85 -1.67 116.25 111.01 1krh h VAL 313 Ca 0.07 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 67.29 1krh h VAL 313 Cb 0.29 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1krh h VAL 313 CO 0.00 0.12 -0.00 -0.33 0.02 0.00 0.00 177.57 177.38 1krh h GLU 314 N 0.55 0.54 -0.50 1.57 4.39 -1.00 -0.46 114.58 119.67 1krh h GLU 314 Ca 0.15 -0.12 -0.05 0.00 0.34 0.00 0.00 59.36 59.68 1krh h GLU 314 Cb -0.03 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.52 1krh h GLU 314 CO -0.03 0.57 0.12 0.00 -1.16 0.00 0.00 179.01 178.51 1krh h ALA 315 N 1.48 0.67 -0.41 3.43 0.00 -0.76 0.38 119.26 124.06 1krh h ALA 315 Ca 0.11 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1krh h ALA 315 Cb 0.34 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1krh h ALA 315 CO 0.01 0.36 -0.06 0.28 0.00 0.00 0.00 179.25 179.85 1krh h VAL 316 N 0.70 1.27 -0.51 0.00 2.07 -0.90 -0.92 116.25 117.96 1krh h VAL 316 Ca 0.16 -1.12 -0.05 0.00 0.82 0.00 0.00 66.70 66.50 1krh h VAL 316 Cb 0.34 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1krh h VAL 316 CO 0.00 0.38 0.09 0.03 0.02 0.00 0.00 177.57 178.09 1krh h ARG 317 N 0.58 0.79 -0.37 1.57 3.08 -0.90 0.14 114.38 119.27 1krh h ARG 317 Ca 0.11 -0.17 -0.11 0.00 0.07 0.00 0.00 59.98 59.88 1krh h ARG 317 Cb 0.57 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 1krh h ARG 317 CO 0.03 0.74 -0.21 1.03 -1.07 0.00 0.00 179.97 180.49 1krh h SER 318 N 0.76 0.72 -0.08 7.04 0.87 -0.71 -1.72 113.55 120.43 1krh h SER 318 Ca 0.16 -0.25 -0.02 0.00 -1.23 0.00 0.00 61.79 60.46 1krh h SER 318 Cb 0.33 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.09 1krh h SER 318 CO 0.00 0.92 -0.01 -0.25 -0.53 0.00 0.00 176.83 176.96 1krh h TRP 319 N 0.63 0.17 -0.59 2.24 7.01 -0.38 -1.18 115.95 123.86 1krh h TRP 319 Ca 0.09 -0.04 0.07 0.00 2.11 0.00 0.00 58.89 61.12 1krh h TRP 319 Cb 0.70 -0.04 -0.06 0.00 -2.10 0.00 0.00 29.16 27.66 1krh h TRP 319 CO 0.03 0.46 0.28 -0.07 -2.79 0.00 0.00 178.44 176.36 1krh h LEU 320 N -0.16 0.37 0.46 0.65 3.38 -0.66 0.33 115.31 119.68 1krh h LEU 320 Ca 0.02 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1krh h LEU 320 Cb 0.40 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1krh h LEU 320 CO 0.01 0.24 -0.22 -0.78 0.09 0.00 0.00 178.44 177.78 1krh h ASP 321 N 0.52 -0.53 -0.98 -0.43 3.58 -1.23 -0.66 116.42 116.70 1krh h ASP 321 Ca 0.28 -0.02 0.10 0.00 0.42 0.00 0.00 57.03 57.81 1krh h ASP 321 Cb 0.24 0.14 -0.07 0.00 1.72 0.00 0.00 39.33 41.35 1krh h ASP 321 CO -0.22 -0.33 0.62 0.74 -2.88 0.00 0.00 179.24 177.18 1krh h THR 322 N -0.69 0.98 0.00 2.25 2.02 -0.89 -0.23 112.91 116.35 1krh h THR 322 Ca -0.06 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.77 1krh h THR 322 Cb 0.51 -0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 1krh h THR 322 CO 0.10 0.19 0.00 1.56 0.37 0.00 0.00 175.52 177.74 1krh h GLN 323 N 1.02 0.00 0.00 6.66 1.08 -0.83 -3.46 115.11 119.57 1krh h GLN 323 Ca 0.46 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.66 1krh h GLN 323 Cb 0.38 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.81 1krh h GLN 323 CO -0.22 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.07 1krh n GLY 324 N 0.11 0.54 3.66 3.46 0.00 -0.10 -5.01 105.19 107.85 1krh n GLY 324 Ca 0.01 -0.68 -0.43 0.00 0.00 0.00 0.00 46.02 44.92 1krh n GLY 324 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1krh s ILE 325 N -2.00 4.29 -0.44 -0.61 1.01 -0.30 -4.98 121.20 118.16 1krh s ILE 325 Ca 0.00 1.56 0.02 0.00 0.00 0.00 0.00 60.65 62.24 1krh s ILE 325 Cb 0.00 -4.01 0.13 0.00 0.01 0.00 0.00 42.46 38.59 1krh s ILE 325 CO 0.00 -0.13 0.23 -1.10 0.00 0.00 0.00 174.94 173.94 1krh s GLN 326 N 3.41 1.35 0.99 2.79 -0.21 -1.26 -4.59 119.66 122.14 1krh s GLN 326 Ca 0.54 -2.03 -0.11 0.00 0.02 0.00 0.00 55.36 53.78 1krh s GLN 326 Cb -0.22 -2.46 0.19 0.00 1.00 0.00 0.00 33.01 31.51 1krh s GLN 326 CO 0.15 -1.14 1.09 -2.14 -2.12 0.00 0.00 175.29 171.13 1krh s PRO 327 N 0.36 0.47 0.17 2.91 0.02 -1.26 -4.75 135.00 132.91 1krh s PRO 327 Ca 0.17 1.06 -0.10 0.00 0.02 0.00 0.00 61.00 62.15 1krh s PRO 327 Cb -0.24 -1.70 0.04 0.00 0.02 0.00 0.00 34.50 32.62 1krh s PRO 327 CO -0.01 -2.85 1.61 0.00 -0.33 0.00 0.00 177.00 175.42 1krh h ALA 328 N -2.01 0.76 -2.73 -1.55 0.00 -0.00 -3.43 119.26 110.30 1krh h ALA 328 Ca -0.51 -0.32 -0.14 0.00 0.00 0.00 0.00 54.91 53.94 1krh h ALA 328 Cb 1.29 -0.21 -0.28 0.00 0.00 0.00 0.00 17.79 18.60 1krh h ALA 328 CO 0.49 0.62 -0.37 -0.80 0.00 0.00 0.00 179.25 179.19 1krh s ASN 329 N -6.55 -0.33 -0.17 0.00 0.01 -1.18 -5.03 114.94 101.69 1krh s ASN 329 Ca -0.12 0.80 0.01 0.00 -0.71 0.00 0.00 52.86 52.84 1krh s ASN 329 Cb 0.13 0.78 0.02 0.00 0.41 0.00 0.00 41.25 42.59 1krh s ASN 329 CO 0.85 -0.20 -0.17 0.12 -1.51 0.00 0.00 177.10 176.20 1krh s PHE 330 N 1.67 2.56 0.01 2.20 5.36 -1.26 -0.51 117.98 128.01 1krh s PHE 330 Ca -0.07 -1.53 0.08 0.00 -0.96 0.00 0.00 56.93 54.45 1krh s PHE 330 Cb -0.10 -1.79 -0.02 0.00 -0.34 0.00 0.00 43.02 40.78 1krh s PHE 330 CO -0.11 -0.76 -0.24 -0.51 -1.46 0.00 0.00 175.22 172.14 1krh s LEU 331 N 1.36 2.10 0.06 6.12 1.43 0.16 -5.00 118.68 124.91 1krh s LEU 331 Ca 0.04 -0.49 -0.08 0.00 -1.03 0.00 0.00 54.13 52.57 1krh s LEU 331 Cb -0.14 -1.21 -0.00 0.00 0.03 0.00 0.00 46.19 44.87 1krh s LEU 331 CO -0.11 0.27 0.17 0.72 0.23 0.00 0.00 176.35 177.62 1krh s PHE 332 N -0.66 0.14 -0.04 0.29 -0.12 -1.26 -0.51 117.98 115.82 1krh s PHE 332 Ca 0.10 -0.47 -0.00 0.00 -0.05 0.00 0.00 56.93 56.50 1krh s PHE 332 Cb -0.09 -0.07 0.03 0.00 -0.63 0.00 0.00 43.02 42.25 1krh s PHE 332 CO 0.00 -0.47 0.01 -2.00 -0.05 0.00 0.00 175.22 172.72 1krh s GLU 333 N -3.18 0.27 -0.18 1.99 2.56 0.16 -4.79 118.70 115.53 1krh s GLU 333 Ca -0.00 0.14 -0.07 0.00 0.00 0.00 0.00 54.97 55.03 1krh s GLU 333 Cb 0.02 -0.55 -0.04 0.00 2.00 0.00 0.00 34.13 35.56 1krh s GLU 333 CO -0.07 -0.19 0.06 0.15 -0.56 0.00 0.00 175.26 174.64 1krh s LYS 334 N 1.35 3.94 -1.20 4.30 1.02 -1.26 -2.79 119.74 125.11 1krh s LYS 334 Ca -0.05 -0.35 -0.14 0.00 0.02 0.00 0.00 55.97 55.45 1krh s LYS 334 Cb -0.13 -3.19 0.17 0.00 -0.52 0.00 0.00 37.83 34.16 1krh s LYS 334 CO -0.02 0.29 1.42 -0.06 -0.92 0.00 0.00 175.35 176.05 1krh s PHE 335 N 0.33 3.51 0.49 3.18 0.40 -0.19 -4.91 117.98 120.78 1krh s PHE 335 Ca 0.03 -2.12 0.04 0.00 -0.60 0.00 0.00 56.93 54.27 1krh s PHE 335 Cb -0.12 -4.30 0.02 0.00 0.51 0.00 0.00 43.02 39.13 1krh s PHE 335 CO 0.00 -1.39 0.68 -1.54 0.70 0.00 0.00 175.22 173.68 1krh s SER 336 N 2.82 5.47 0.37 1.36 1.04 -1.26 -4.11 113.70 119.39 1krh s SER 336 Ca 0.42 -0.15 -0.27 0.00 0.48 0.00 0.00 55.95 56.43 1krh s SER 336 Cb -0.03 -0.84 -0.09 0.00 0.10 0.00 0.00 66.02 65.15 1krh s SER 336 CO -0.00 -0.95 1.30 0.00 0.98 0.00 0.00 173.24 174.56 1krh s ALA 337 N -2.58 3.36 0.00 5.32 0.00 -1.26 -4.98 121.76 121.62 1krh s ALA 337 Ca 0.56 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.75 1krh s ALA 337 Cb -0.10 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1krh s ALA 337 CO 0.36 -0.72 0.00 0.27 0.00 0.00 0.00 175.76 175.67