#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 -4.33 -3.46 2.85 -1.26 -4.96 115.26 103.07 1krh n ASN 3 Ca 0.00 0.00 -0.29 0.00 -0.11 0.00 0.00 54.58 54.18 1krh n ASN 3 Cb 0.00 0.53 -0.14 0.00 1.24 0.00 0.00 39.78 41.41 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 -0.60 2.17 -0.20 1.20 3.76 0.39 -4.95 115.29 117.07 1krh s HIS 4 Ca 0.00 -0.40 -0.18 0.00 -0.15 0.00 0.00 55.06 54.33 1krh s HIS 4 Cb 0.00 -1.28 -0.03 0.00 1.11 0.00 0.00 32.58 32.38 1krh s HIS 4 CO 0.00 0.15 0.49 -1.14 -0.85 0.00 0.00 174.74 173.39 1krh s GLN 5 N -1.37 4.19 -0.06 1.40 2.00 -1.26 -0.59 119.66 123.96 1krh s GLN 5 Ca 0.11 0.36 0.03 0.00 -2.00 0.00 0.00 55.36 53.86 1krh s GLN 5 Cb -0.10 -3.55 0.01 0.00 0.80 0.00 0.00 33.01 30.16 1krh s GLN 5 CO 0.03 -0.12 -0.14 0.08 -0.50 0.00 0.00 175.29 174.63 1krh s VAL 6 N 1.54 1.27 -0.07 1.34 1.01 0.07 -2.40 120.40 123.16 1krh s VAL 6 Ca 0.23 -0.59 -0.14 0.00 0.00 0.00 0.00 61.98 61.48 1krh s VAL 6 Cb -0.15 -1.13 -0.05 0.00 0.00 0.00 0.00 36.38 35.05 1krh s VAL 6 CO 0.09 0.38 0.36 0.00 0.00 0.00 0.00 175.10 175.93 1krh s ALA 7 N 0.41 3.67 -0.27 5.51 0.00 -0.09 -0.46 121.76 130.52 1krh s ALA 7 Ca -0.11 -0.32 -0.01 0.00 0.00 0.00 0.00 51.96 51.52 1krh s ALA 7 Cb -0.14 -2.37 0.04 0.00 0.00 0.00 0.00 23.12 20.65 1krh s ALA 7 CO 0.03 0.34 -0.05 -0.51 0.00 0.00 0.00 175.76 175.58 1krh s LEU 8 N -0.47 3.50 -0.24 0.00 1.43 0.88 -0.85 118.68 122.94 1krh s LEU 8 Ca 0.21 -1.13 -0.12 0.00 -1.03 0.00 0.00 54.13 52.06 1krh s LEU 8 Cb -0.15 -1.66 -0.05 0.00 0.03 0.00 0.00 46.19 44.37 1krh s LEU 8 CO 0.09 -0.19 0.24 -1.10 0.23 0.00 0.00 176.35 175.62 1krh s GLN 9 N 1.25 4.08 0.35 1.70 -0.21 0.73 -1.64 119.66 125.93 1krh s GLN 9 Ca -0.04 -0.13 0.07 0.00 0.02 0.00 0.00 55.36 55.28 1krh s GLN 9 Cb -0.18 -3.56 -0.01 0.00 1.00 0.00 0.00 33.01 30.25 1krh s GLN 9 CO -0.03 -0.01 0.42 -0.06 -2.12 0.00 0.00 175.29 173.48 1krh s PHE 10 N 1.26 2.97 0.55 0.91 0.40 -0.28 -0.70 117.98 123.09 1krh s PHE 10 Ca 0.11 -0.29 0.38 0.00 -0.60 0.00 0.00 56.93 56.52 1krh s PHE 10 Cb -0.14 -2.00 2.04 0.00 0.51 0.00 0.00 43.02 43.43 1krh s PHE 10 CO 0.06 -0.01 2.26 0.93 0.70 0.00 0.00 175.22 179.17 1krh h GLU 11 N 0.99 0.00 -0.73 0.44 5.08 -1.51 -2.42 114.58 116.42 1krh h GLU 11 Ca -0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1krh h GLU 11 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1krh h GLU 11 CO 0.54 0.02 0.00 -0.40 -1.00 0.00 0.00 179.01 178.17 1krh n ASP 12 N -3.34 3.80 -0.35 1.42 3.85 -1.26 -4.87 116.55 115.79 1krh n ASP 12 Ca -0.02 -2.53 -0.05 0.00 -0.71 0.00 0.00 54.79 51.48 1krh n ASP 12 Cb 0.12 -0.59 -0.02 0.00 -1.35 0.00 0.00 41.12 39.28 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 0.44 0.70 3.89 6.12 0.00 -0.91 -5.01 105.19 110.42 1krh n GLY 13 Ca 0.17 -0.37 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.99 5.38 -0.05 1.61 1.01 -1.25 -4.94 120.40 120.16 1krh s VAL 14 Ca 0.00 0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.06 1krh s VAL 14 Cb 0.00 -3.53 -0.00 0.00 0.00 0.00 0.00 36.38 32.85 1krh s VAL 14 CO 0.00 0.38 -0.17 -0.89 0.00 0.00 0.00 175.10 174.42 1krh s THR 15 N -1.27 1.44 -0.03 3.92 2.01 -1.26 -1.12 115.64 119.33 1krh s THR 15 Ca 0.26 -0.71 0.06 0.00 0.31 0.00 0.00 61.69 61.61 1krh s THR 15 Cb -0.13 -1.25 -0.01 0.00 0.01 0.00 0.00 72.50 71.12 1krh s THR 15 CO 0.16 0.42 -0.21 -0.13 -0.69 0.00 0.00 174.62 174.16 1krh s ARG 16 N 0.15 1.87 -0.17 4.92 1.81 -0.65 -4.96 118.95 121.92 1krh s ARG 16 Ca -0.07 -0.77 -0.04 0.00 -1.72 0.00 0.00 55.73 53.13 1krh s ARG 16 Cb -0.13 -1.74 -0.03 0.00 -0.45 0.00 0.00 34.95 32.60 1krh s ARG 16 CO 0.03 0.42 -0.02 -0.06 -0.68 0.00 0.00 175.30 174.99 1krh s PHE 17 N -0.37 3.04 0.29 -0.53 0.40 -1.26 -0.08 117.98 119.47 1krh s PHE 17 Ca 0.05 -0.34 0.07 0.00 -0.60 0.00 0.00 56.93 56.11 1krh s PHE 17 Cb -0.10 -2.01 -0.06 0.00 0.51 0.00 0.00 43.02 41.36 1krh s PHE 17 CO 0.00 -0.10 -0.07 0.96 0.70 0.00 0.00 175.22 176.71 1krh s ILE 18 N 0.61 1.80 -0.15 0.64 -4.36 0.39 -4.95 121.20 115.19 1krh s ILE 18 Ca -0.01 -2.15 -0.08 0.00 -0.26 0.00 0.00 60.65 58.14 1krh s ILE 18 Cb -0.14 -2.49 -0.04 0.00 1.25 0.00 0.00 42.46 41.04 1krh s ILE 18 CO 0.02 -0.28 0.13 0.00 0.24 0.00 0.00 174.94 175.05 1krh s ILE 20 N -0.50 1.07 0.53 0.00 1.01 0.24 -4.88 121.20 118.67 1krh s ILE 20 Ca 0.12 -0.34 -0.19 0.00 0.00 0.00 0.00 60.65 60.24 1krh s ILE 20 Cb -0.12 -1.07 -0.06 0.00 0.01 0.00 0.00 42.46 41.22 1krh s ILE 20 CO 0.02 0.37 1.09 0.00 0.00 0.00 0.00 174.94 176.42 1krh s ALA 21 N 1.55 2.75 0.03 9.38 0.00 -1.26 -0.46 121.76 133.74 1krh s ALA 21 Ca 0.02 0.71 -0.30 0.00 0.00 0.00 0.00 51.96 52.39 1krh s ALA 21 Cb -0.13 -3.31 -0.08 0.00 0.00 0.00 0.00 23.12 19.60 1krh s ALA 21 CO -0.07 -0.64 1.77 -1.14 0.00 0.00 0.00 175.76 175.69 1krh s GLN 22 N -3.35 4.17 0.00 0.00 2.00 -1.26 -1.10 119.66 120.11 1krh s GLN 22 Ca 0.70 2.41 0.00 0.00 -2.00 0.00 0.00 55.36 56.47 1krh s GLN 22 Cb -0.21 -3.88 0.00 0.00 0.80 0.00 0.00 33.01 29.72 1krh s GLN 22 CO 0.26 -0.85 0.00 0.41 -0.50 0.00 0.00 175.29 174.61 1krh n GLY 23 N 4.23 1.27 3.80 2.59 0.00 -1.26 -4.86 105.19 110.96 1krh n GLY 23 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.73 4.28 0.61 1.61 2.12 -0.26 -5.01 118.70 121.32 1krh s GLU 24 Ca 0.00 0.83 -0.12 0.00 0.36 0.00 0.00 54.97 56.04 1krh s GLU 24 Cb 0.00 -3.21 -0.04 0.00 0.26 0.00 0.00 34.13 31.14 1krh s GLU 24 CO 0.00 0.60 1.03 0.95 -0.54 0.00 0.00 175.26 177.30 1krh s THR 25 N -1.16 4.56 0.16 -1.70 -4.23 -1.26 -4.15 115.64 107.86 1krh s THR 25 Ca 0.32 0.92 -0.15 0.00 -1.18 0.00 0.00 61.69 61.59 1krh s THR 25 Cb -0.20 -3.76 0.04 0.00 1.34 0.00 0.00 72.50 69.91 1krh s THR 25 CO 0.21 -1.00 1.77 0.25 -0.54 0.00 0.00 174.62 175.31 1krh h LEU 26 N -0.10 0.26 -0.67 4.79 5.85 -0.49 -1.46 115.31 123.49 1krh h LEU 26 Ca -0.45 0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.22 1krh h LEU 26 Cb 1.19 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.18 1krh h LEU 26 CO 0.61 0.19 0.08 0.77 -0.34 0.00 0.00 178.44 179.75 1krh h SER 27 N 0.39 1.06 -0.50 1.25 4.64 -1.55 -0.87 113.55 117.97 1krh h SER 27 Ca 0.18 -0.27 -0.04 0.00 -0.47 0.00 0.00 61.79 61.19 1krh h SER 27 Cb 0.10 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 61.89 1krh h SER 27 CO -0.14 1.07 0.17 0.44 -0.87 0.00 0.00 176.83 177.50 1krh h ASP 28 N 1.02 0.72 -0.37 4.97 5.19 -1.75 -0.93 116.42 125.28 1krh h ASP 28 Ca 0.20 -0.20 -0.05 0.00 -0.62 0.00 0.00 57.03 56.35 1krh h ASP 28 Cb 0.48 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.79 1krh h ASP 28 CO 0.02 0.72 0.02 0.00 -3.12 0.00 0.00 179.24 176.88 1krh h ALA 29 N 1.02 0.49 0.24 3.45 0.00 -1.11 -0.69 119.26 122.66 1krh h ALA 29 Ca 0.16 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1krh h ALA 29 Cb 0.26 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1krh h ALA 29 CO -0.01 0.24 -0.13 0.00 0.00 0.00 0.00 179.25 179.36 1krh h ALA 30 N 0.88 -0.34 -0.68 0.00 0.00 -1.01 -2.04 119.26 116.07 1krh h ALA 30 Ca 0.11 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1krh h ALA 30 Cb 0.43 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1krh h ALA 30 CO 0.02 -0.69 0.30 1.88 0.00 0.00 0.00 179.25 180.76 1krh h TYR 31 N -0.34 0.98 -0.74 0.00 -1.99 -1.13 0.76 116.97 114.50 1krh h TYR 31 Ca -0.03 -0.05 0.05 0.00 2.00 0.00 0.00 58.73 60.70 1krh h TYR 31 Cb 0.27 -0.30 -0.04 0.00 2.00 0.00 0.00 36.73 38.65 1krh h TYR 31 CO -0.07 0.73 0.49 -0.09 -0.00 0.00 0.00 178.16 179.21 1krh h ARG 32 N 0.97 0.82 -0.68 4.88 2.43 -0.86 -0.26 114.38 121.67 1krh h ARG 32 Ca 0.23 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.35 1krh h ARG 32 Cb 0.13 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1krh h ARG 32 CO -0.03 0.54 0.01 1.04 -1.51 0.00 0.00 179.97 180.02 1krh n GLN 33 N -4.47 4.06 -2.46 0.20 6.02 -0.77 -4.93 117.38 115.03 1krh n GLN 33 Ca 0.10 -2.48 -0.19 0.00 -0.01 0.00 0.00 57.00 54.42 1krh n GLN 33 Cb 0.18 -2.11 -0.00 0.00 1.02 0.00 0.00 30.24 29.33 1krh n GLN 33 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1krh n GLN 34 N 0.47 -2.03 -3.78 -1.09 6.02 -0.11 -4.97 117.38 111.89 1krh n GLN 34 Ca 0.22 0.91 -0.36 0.00 -0.01 0.00 0.00 57.00 57.76 1krh n GLN 34 Cb 1.01 -5.49 -0.11 0.00 1.02 0.00 0.00 30.24 26.66 1krh n GLN 34 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1krh s ILE 35 N -2.98 3.29 -1.26 5.09 1.01 0.19 -4.81 121.20 121.73 1krh s ILE 35 Ca 0.05 -2.28 -0.16 0.00 0.00 0.00 0.00 60.65 58.26 1krh s ILE 35 Cb -0.02 -3.24 0.11 0.00 0.01 0.00 0.00 42.46 39.31 1krh s ILE 35 CO 0.06 -0.72 1.62 0.20 0.00 0.00 0.00 174.94 176.09 1krh s ASN 36 N 1.51 6.92 0.72 3.58 0.01 0.10 -3.20 114.94 124.58 1krh s ASN 36 Ca 0.10 -2.64 -0.13 0.00 -0.71 0.00 0.00 52.86 49.48 1krh s ASN 36 Cb -0.22 -2.51 0.03 0.00 0.41 0.00 0.00 41.25 38.96 1krh s ASN 36 CO -0.04 -1.01 1.10 0.27 -1.51 0.00 0.00 177.10 175.91 1krh s ILE 37 N 3.22 3.27 0.17 0.60 -4.36 -1.26 -4.26 121.20 118.58 1krh s ILE 37 Ca 0.49 0.50 -0.34 0.00 -0.26 0.00 0.00 60.65 61.04 1krh s ILE 37 Cb 0.01 -3.00 -0.15 0.00 1.25 0.00 0.00 42.46 40.58 1krh s ILE 37 CO 0.05 -0.46 1.33 -2.65 0.24 0.00 0.00 174.94 173.45 1krh n PRO 38 N -3.00 1.52 -3.64 0.37 -0.02 -1.26 -4.95 135.00 124.01 1krh n PRO 38 Ca 0.10 0.54 -0.05 0.00 -2.02 0.00 0.00 63.50 62.08 1krh n PRO 38 Cb 0.52 -2.16 -0.02 0.00 -0.02 0.00 0.00 33.50 31.83 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 0.03 0.90 0.00 -0.52 1.75 -1.26 -3.79 119.30 116.41 1krh s MET 39 Ca 0.76 -0.44 0.00 0.00 -1.25 0.00 0.00 55.69 54.76 1krh s MET 39 Cb -0.80 0.34 0.00 0.00 2.84 0.00 0.00 34.83 37.21 1krh s MET 39 CO 0.48 -0.40 0.00 -3.47 -0.65 0.00 0.00 175.02 170.98 1krh n ASP 40 N -0.37 0.00 0.19 1.11 -0.08 -1.26 -4.73 116.55 111.42 1krh n ASP 40 Ca -0.07 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.27 1krh n ASP 40 Cb 0.61 0.00 0.51 0.00 2.34 0.00 0.00 41.12 44.58 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 -4.39 -1.39 -0.04 0.00 1.74 -1.26 -4.80 116.66 106.53 1krh n ARG 42 Ca -0.02 0.35 0.03 0.00 -0.77 0.00 0.00 57.85 57.44 1krh n ARG 42 Cb 0.19 -4.51 0.04 0.00 -1.02 0.00 0.00 32.46 27.16 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 -0.11 2.21 -2.49 5.56 -0.58 -1.26 -4.93 120.64 119.05 1krh n GLU 43 Ca 0.00 -1.78 -0.14 0.00 -0.42 0.00 0.00 57.16 54.83 1krh n GLU 43 Cb 0.35 -1.12 0.01 0.00 -0.57 0.00 0.00 31.44 30.11 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 -0.76 -0.13 0.00 0.62 0.00 -1.26 -4.71 105.19 98.96 1krh n GLY 44 Ca 0.05 -0.27 0.01 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.53 0.49 -0.03 1.61 2.13 -1.26 -1.57 120.64 119.48 1krh n GLU 45 Ca -0.12 -0.01 0.02 0.00 0.66 0.00 0.00 57.16 57.71 1krh n GLU 45 Cb 0.60 -1.04 -0.15 0.00 0.27 0.00 0.00 31.44 31.12 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 1.45 0.61 0.23 0.00 0.00 -1.26 -4.70 105.19 101.52 1krh n GLY 47 Ca -0.15 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.97 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 0.61 -0.41 2.61 2.02 -1.92 -2.92 112.91 112.90 1krh h THR 48 Ca 0.00 -0.95 0.00 0.00 0.77 0.00 0.00 66.41 66.23 1krh h THR 48 Cb 0.10 1.62 0.00 0.00 -1.74 0.00 0.00 68.15 68.13 1krh h THR 48 CO 0.00 0.20 0.00 0.00 0.37 0.00 0.00 175.52 176.09 1krh n ARG 50 N 0.70 1.77 -4.19 0.00 0.63 -1.11 -2.34 116.66 112.13 1krh n ARG 50 Ca 0.14 0.63 -0.14 0.00 -0.92 0.00 0.00 57.85 57.56 1krh n ARG 50 Cb 0.39 -2.25 -0.08 0.00 0.45 0.00 0.00 32.46 30.97 1krh n ARG 50 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1krh s ALA 51 N -0.00 1.14 -0.09 5.13 0.00 0.61 -4.40 121.76 124.16 1krh s ALA 51 Ca 0.71 -1.68 0.04 0.00 0.00 0.00 0.00 51.96 51.02 1krh s ALA 51 Cb -0.72 1.35 0.00 0.00 0.00 0.00 0.00 23.12 23.75 1krh s ALA 51 CO 0.49 -0.67 -0.22 0.12 0.00 0.00 0.00 175.76 175.49 1krh s PHE 52 N -3.81 2.35 -0.45 0.00 5.36 -0.72 -0.17 117.98 120.54 1krh s PHE 52 Ca 0.37 -0.92 -0.21 0.00 -0.96 0.00 0.00 56.93 55.21 1krh s PHE 52 Cb 0.04 -1.58 0.03 0.00 -0.34 0.00 0.00 43.02 41.17 1krh s PHE 52 CO 0.17 -0.37 0.65 0.00 -1.46 0.00 0.00 175.22 174.21 1krh h GLU 54 N 8.90 0.48 -2.07 0.00 4.81 -0.96 -3.46 114.58 122.29 1krh h GLU 54 Ca -0.26 -0.33 0.09 0.00 -0.13 0.00 0.00 59.36 58.73 1krh h GLU 54 Cb 1.09 0.05 -0.18 0.00 0.63 0.00 0.00 28.75 30.35 1krh h GLU 54 CO 0.91 0.95 0.50 -1.54 -0.73 0.00 0.00 179.01 179.09 1krh s SER 55 N -6.94 -0.38 0.00 1.04 1.04 -1.12 -4.97 113.70 102.37 1krh s SER 55 Ca -0.07 0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.51 1krh s SER 55 Cb 0.11 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.60 1krh s SER 55 CO 0.84 -0.54 0.00 0.61 0.98 0.00 0.00 173.24 175.12 1krh n GLY 56 N 0.07 2.86 3.91 7.32 0.00 -1.26 -0.76 105.19 117.34 1krh n GLY 56 Ca -0.10 -2.00 -0.31 0.00 0.00 0.00 0.00 46.02 43.61 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 6.41 -0.02 1.61 0.01 -1.26 -5.00 114.94 116.68 1krh s ASN 57 Ca 0.00 0.39 -0.29 0.00 -0.71 0.00 0.00 52.86 52.25 1krh s ASN 57 Cb 0.00 -2.01 0.09 0.00 0.41 0.00 0.00 41.25 39.74 1krh s ASN 57 CO 0.00 0.13 0.78 -0.72 -1.51 0.00 0.00 177.10 175.78 1krh s TYR 58 N -1.56 -0.49 -0.12 2.20 -0.85 -1.26 -0.74 117.35 114.52 1krh s TYR 58 Ca 0.37 0.62 -0.03 0.00 -0.52 0.00 0.00 57.07 57.51 1krh s TYR 58 Cb -0.13 0.48 -0.03 0.00 0.38 0.00 0.00 41.96 42.66 1krh s TYR 58 CO 0.27 -0.59 0.00 -0.51 -1.52 0.00 0.00 175.55 173.20 1krh s ASP 59 N -1.82 5.20 -0.49 -0.18 1.01 0.08 -4.90 116.67 115.57 1krh s ASP 59 Ca -0.02 0.07 0.06 0.00 0.71 0.00 0.00 52.55 53.37 1krh s ASP 59 Cb -0.01 -1.62 0.23 0.00 1.01 0.00 0.00 42.92 42.53 1krh s ASP 59 CO -0.01 0.30 0.82 0.80 0.21 0.00 0.00 175.17 177.29 1krh n MET 60 N 2.66 0.70 -1.65 8.23 1.56 -1.26 -0.85 117.12 126.51 1krh n MET 60 Ca -0.18 -1.89 -0.54 0.00 -0.27 0.00 0.00 57.70 54.82 1krh n MET 60 Cb 0.53 -1.46 -0.06 0.00 2.15 0.00 0.00 33.22 34.37 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 2.02 1.23 0.33 2.12 -0.02 -1.26 -4.84 135.00 134.58 1krh n PRO 61 Ca 0.12 0.45 0.23 0.00 -2.02 0.00 0.00 63.50 62.28 1krh n PRO 61 Cb 0.60 -2.12 1.21 0.00 -0.02 0.00 0.00 33.50 33.17 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 5.97 0.00 0.00 -0.52 4.11 -2.00 -0.50 114.58 121.64 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 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1krh h GLU 62 CO 0.87 0.00 0.00 -0.44 0.07 0.00 0.00 179.01 179.51 1krh h ASP 63 N 0.00 0.00 -0.39 3.06 3.32 -2.04 -3.21 116.42 117.17 1krh h ASP 63 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1krh h ASP 63 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1krh h ASP 63 CO 0.00 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.11 1krh n ASN 64 N -2.56 2.46 -3.51 6.45 3.02 -0.19 -4.90 115.26 116.02 1krh n ASN 64 Ca 0.03 -2.11 -0.11 0.00 -0.03 0.00 0.00 54.58 52.37 1krh n ASN 64 Cb 0.37 -0.34 -0.02 0.00 -0.61 0.00 0.00 39.78 39.18 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 -1.57 -0.44 0.36 3.10 -0.85 -1.21 -4.42 117.35 112.33 1krh s TYR 65 Ca 0.28 0.18 0.08 0.00 -0.52 0.00 0.00 57.07 57.09 1krh s TYR 65 Cb 0.16 0.53 -0.04 0.00 0.38 0.00 0.00 41.96 42.99 1krh s TYR 65 CO 0.16 -0.88 0.17 0.96 -1.52 0.00 0.00 175.55 174.44 1krh s ILE 66 N -3.78 2.81 0.45 -3.49 -4.36 -0.61 -4.94 121.20 107.27 1krh s ILE 66 Ca 0.03 -1.68 0.29 0.00 -0.26 0.00 0.00 60.65 59.03 1krh s ILE 66 Cb -0.01 -2.98 0.31 0.00 1.25 0.00 0.00 42.46 41.03 1krh s ILE 66 CO -0.10 -0.12 2.12 -0.33 0.24 0.00 0.00 174.94 176.74 1krh h GLU 67 N 1.49 0.00 -0.35 0.37 5.08 -1.90 -1.52 114.58 117.75 1krh h GLU 67 Ca -0.43 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 57.96 1krh h GLU 67 Cb 1.25 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 1krh h GLU 67 CO 0.64 0.09 0.24 -0.44 -1.00 0.00 0.00 179.01 178.54 1krh h ASP 68 N 0.00 0.29 0.09 1.42 3.32 -1.91 -3.05 116.42 116.58 1krh h ASP 68 Ca -0.00 -0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.74 1krh h ASP 68 Cb 0.26 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 1krh h ASP 68 CO 0.01 0.20 -1.63 0.00 -1.72 0.00 0.00 179.24 176.10 1krh h ALA 69 N 1.80 0.31 -2.40 3.45 0.00 -1.40 -3.41 119.26 117.61 1krh h ALA 69 Ca 0.15 -1.26 -0.06 0.00 0.00 0.00 0.00 54.91 53.74 1krh h ALA 69 Cb 0.17 0.65 -0.24 0.00 0.00 0.00 0.00 17.79 18.37 1krh h ALA 69 CO -0.03 1.01 -0.17 -1.17 0.00 0.00 0.00 179.25 178.88 1krh s LEU 70 N -7.42 -0.41 0.40 0.00 2.96 -0.86 -4.29 118.68 109.07 1krh s LEU 70 Ca -0.23 1.13 -0.04 0.00 -0.22 0.00 0.00 54.13 54.77 1krh s LEU 70 Cb 0.06 1.75 -0.04 0.00 0.50 0.00 0.00 46.19 48.46 1krh s LEU 70 CO 0.72 -0.21 0.68 0.42 -1.32 0.00 0.00 176.35 176.64 1krh s THR 71 N 1.44 4.97 0.39 3.68 -4.23 -1.25 -3.90 115.64 116.74 1krh s THR 71 Ca -0.09 0.02 0.06 0.00 -1.18 0.00 0.00 61.69 60.50 1krh s THR 71 Cb -0.07 -3.83 0.28 0.00 1.34 0.00 0.00 72.50 70.22 1krh s THR 71 CO -0.15 -0.65 2.02 -0.65 -0.54 0.00 0.00 174.62 174.65 1krh h PRO 72 N 0.72 0.63 -0.75 3.99 0.11 -1.97 -1.42 132.00 133.32 1krh h PRO 72 Ca -0.48 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.54 1krh h PRO 72 Cb 1.20 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 1krh h PRO 72 CO 0.62 0.42 0.26 0.93 -0.21 0.00 0.00 178.00 180.03 1krh h GLU 73 N 0.65 1.14 -0.36 1.05 3.07 -1.99 -1.09 114.58 117.06 1krh h GLU 73 Ca 0.22 -0.23 -0.07 0.00 -0.50 0.00 0.00 59.36 58.78 1krh h GLU 73 Cb 0.06 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 27.78 1krh h GLU 73 CO -0.06 0.95 -0.03 0.93 -1.40 0.00 0.00 179.01 179.41 1krh h GLU 74 N 1.09 0.65 -0.79 2.33 5.08 -1.71 -2.59 114.58 118.65 1krh h GLU 74 Ca 0.24 -0.22 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1krh h GLU 74 Cb 0.27 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 1krh h GLU 74 CO -0.01 0.78 0.52 0.00 -1.00 0.00 0.00 179.01 179.30 1krh h ALA 75 N 0.85 1.01 -0.29 3.43 0.00 -1.02 -1.72 119.26 121.52 1krh h ALA 75 Ca 0.10 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1krh h ALA 75 Cb 0.51 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1krh h ALA 75 CO 0.02 0.39 0.03 1.96 0.00 0.00 0.00 179.25 181.66 1krh h GLN 76 N 1.05 0.42 0.00 0.00 4.20 -1.08 -1.95 115.11 117.75 1krh h GLN 76 Ca 0.29 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.93 1krh h GLN 76 Cb -0.10 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.61 1krh h GLN 76 CO -0.07 0.43 0.00 1.04 -0.67 0.00 0.00 178.83 179.55 1krh n GLN 77 N -4.34 0.18 0.00 1.46 6.02 -0.76 -4.90 117.38 115.04 1krh n GLN 77 Ca 0.01 0.25 0.00 0.00 -0.01 0.00 0.00 57.00 57.25 1krh n GLN 77 Cb 0.19 -1.75 0.00 0.00 1.02 0.00 0.00 30.24 29.70 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 0.83 0.86 3.80 1.08 0.00 -0.73 -4.97 105.19 106.04 1krh n GLY 78 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 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 3.12 0.15 1.61 1.51 -0.72 -0.92 117.35 120.09 1krh s TYR 79 Ca 0.00 1.60 -0.00 0.00 -1.01 0.00 0.00 57.07 57.66 1krh s TYR 79 Cb 0.00 -3.06 -0.04 0.00 -0.11 0.00 0.00 41.96 38.75 1krh s TYR 79 CO 0.00 -0.67 0.04 0.14 -1.11 0.00 0.00 175.55 173.95 1krh s VAL 80 N -1.90 0.31 -0.30 0.71 -7.23 0.76 -4.22 120.40 108.53 1krh s VAL 80 Ca 0.64 -1.93 -0.10 0.00 -1.81 0.00 0.00 61.98 58.78 1krh s VAL 80 Cb -0.17 -2.07 -0.02 0.00 0.56 0.00 0.00 36.38 34.68 1krh s VAL 80 CO 0.21 -0.47 0.15 -0.76 -0.31 0.00 0.00 175.10 173.93 1krh s LEU 81 N -3.09 4.02 0.50 1.32 1.43 -1.26 -0.28 118.68 121.32 1krh s LEU 81 Ca 0.24 -0.39 0.17 0.00 -1.03 0.00 0.00 54.13 53.12 1krh s LEU 81 Cb 0.07 -2.02 1.23 0.00 0.03 0.00 0.00 46.19 45.51 1krh s LEU 81 CO 0.03 -0.15 2.09 0.00 0.23 0.00 0.00 176.35 178.54 1krh h ALA 82 N 8.35 2.09 0.00 4.21 0.00 -1.81 0.18 119.26 132.28 1krh h ALA 82 Ca -0.34 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1krh h ALA 82 Cb 1.16 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1krh h ALA 82 CO 0.60 -0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.71 1krh n GLN 84 N -2.46 1.59 -3.09 0.00 1.13 -0.37 -4.89 117.38 109.29 1krh n GLN 84 Ca 0.03 -0.39 -0.41 0.00 -1.94 0.00 0.00 57.00 54.29 1krh n GLN 84 Cb 0.31 -0.87 -0.06 0.00 0.11 0.00 0.00 30.24 29.73 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 2.39 1.86 0.35 0.00 0.52 -0.03 -0.23 118.95 123.81 1krh s ARG 86 Ca 0.27 -1.84 -0.29 0.00 -0.52 0.00 0.00 55.73 53.35 1krh s ARG 86 Cb -0.16 -3.48 -0.11 0.00 0.52 0.00 0.00 34.95 31.72 1krh s ARG 86 CO 0.09 -1.04 1.54 -2.14 0.02 0.00 0.00 175.30 173.77 1krh s PRO 87 N 1.06 4.10 -0.03 3.54 0.02 -1.26 -0.74 135.00 141.69 1krh s PRO 87 Ca 0.09 2.60 0.07 0.00 0.02 0.00 0.00 61.00 63.77 1krh s PRO 87 Cb -0.22 -2.98 0.16 0.00 0.02 0.00 0.00 34.50 31.49 1krh s PRO 87 CO -0.05 -0.59 1.12 0.25 -0.33 0.00 0.00 177.00 177.40 1krh n THR 88 N 1.03 1.20 -3.83 0.99 -2.24 0.08 -4.55 114.28 106.95 1krh n THR 88 Ca 0.03 -1.22 -0.06 0.00 -2.27 0.00 0.00 64.05 60.54 1krh n THR 88 Cb 0.38 0.36 0.01 0.00 -2.10 0.00 0.00 70.33 68.98 1krh n THR 88 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1krh s SER 89 N -1.30 -0.04 0.58 3.42 1.04 -1.23 -4.90 113.70 111.27 1krh s SER 89 Ca 0.14 -0.85 -0.20 0.00 0.48 0.00 0.00 55.95 55.52 1krh s SER 89 Cb 0.09 0.68 -0.04 0.00 0.10 0.00 0.00 66.02 66.86 1krh s SER 89 CO 0.06 -1.34 1.28 -1.81 0.98 0.00 0.00 173.24 172.41 1krh s ASP 90 N -3.15 5.12 0.28 7.02 1.11 -1.26 -4.67 116.67 121.12 1krh s ASP 90 Ca 0.17 2.57 -0.14 0.00 0.18 0.00 0.00 52.55 55.33 1krh s ASP 90 Cb -0.04 -2.62 0.01 0.00 1.07 0.00 0.00 42.92 41.34 1krh s ASP 90 CO 0.08 -1.65 0.57 0.00 1.18 0.00 0.00 175.17 175.35 1krh s ALA 91 N -1.44 -0.42 -0.06 5.23 0.00 -1.01 -4.29 121.76 119.77 1krh s ALA 91 Ca 0.76 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.92 1krh s ALA 91 Cb -0.36 0.98 0.02 0.00 0.00 0.00 0.00 23.12 23.77 1krh s ALA 91 CO 0.40 -0.91 -0.03 0.08 0.00 0.00 0.00 175.76 175.30 1krh s VAL 92 N -3.69 0.55 -0.01 0.00 1.01 0.06 -0.92 120.40 117.41 1krh s VAL 92 Ca 0.20 -0.07 0.07 0.00 0.00 0.00 0.00 61.98 62.18 1krh s VAL 92 Cb -0.02 -0.62 -0.02 0.00 0.00 0.00 0.00 36.38 35.72 1krh s VAL 92 CO 0.10 0.26 -0.21 -0.36 0.00 0.00 0.00 175.10 174.89 1krh s PHE 93 N 1.36 1.87 -0.32 5.22 0.40 -0.03 -0.29 117.98 126.19 1krh s PHE 93 Ca -0.04 -0.36 -0.13 0.00 -0.60 0.00 0.00 56.93 55.81 1krh s PHE 93 Cb -0.13 -1.20 -0.03 0.00 0.51 0.00 0.00 43.02 42.17 1krh s PHE 93 CO -0.03 -0.02 0.24 -0.65 0.70 0.00 0.00 175.22 175.47 1krh s GLN 94 N -0.56 3.66 0.04 0.44 -0.21 0.76 -0.19 119.66 123.60 1krh s GLN 94 Ca 0.08 -0.50 -0.18 0.00 0.02 0.00 0.00 55.36 54.78 1krh s GLN 94 Cb -0.08 -3.76 -0.06 0.00 1.00 0.00 0.00 33.01 30.11 1krh s GLN 94 CO -0.01 -0.37 0.51 0.42 -2.12 0.00 0.00 175.29 173.73 1krh s ILE 95 N 1.77 4.86 -0.91 1.08 -1.09 0.12 -1.76 121.20 125.27 1krh s ILE 95 Ca 0.07 1.08 -0.07 0.00 -2.23 0.00 0.00 60.65 59.51 1krh s ILE 95 Cb -0.17 -3.84 -0.08 0.00 -1.58 0.00 0.00 42.46 36.80 1krh s ILE 95 CO 0.11 0.55 3.01 0.00 -1.23 0.00 0.00 174.94 177.38 1krh n GLN 96 N 1.87 3.19 -3.58 2.79 6.02 -1.26 -4.14 117.38 122.27 1krh n GLN 96 Ca -0.11 -2.13 -0.05 0.00 -0.01 0.00 0.00 57.00 54.70 1krh n GLN 96 Cb 0.51 -2.43 -0.02 0.00 1.02 0.00 0.00 30.24 29.32 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 0.56 -2.00 0.63 -1.58 0.00 -1.26 -4.77 121.76 113.32 1krh s ALA 97 Ca 0.64 1.29 -0.10 0.00 0.00 0.00 0.00 51.96 53.80 1krh s ALA 97 Cb 0.25 0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.46 1krh s ALA 97 CO -0.08 -0.68 1.01 -1.54 0.00 0.00 0.00 175.76 174.47 1krh s SER 98 N -2.37 5.90 0.42 0.00 1.04 -1.26 -1.81 113.70 115.62 1krh s SER 98 Ca 0.09 1.17 0.12 0.00 0.48 0.00 0.00 55.95 57.81 1krh s SER 98 Cb -0.00 -2.17 0.92 0.00 0.10 0.00 0.00 66.02 64.87 1krh s SER 98 CO -0.05 -1.01 1.98 0.77 0.98 0.00 0.00 173.24 175.90 1krh h SER 99 N -0.34 0.13 -0.37 7.02 4.64 -1.92 -2.68 113.55 120.03 1krh h SER 99 Ca -0.45 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 60.84 1krh h SER 99 Cb 1.22 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 63.26 1krh h SER 99 CO 0.62 0.26 0.17 -0.33 -0.87 0.00 0.00 176.83 176.69 1krh h GLU 100 N 0.13 0.54 -0.62 4.77 4.39 -2.01 -2.74 114.58 119.04 1krh h GLU 100 Ca 0.03 -0.08 0.02 0.00 0.34 0.00 0.00 59.36 59.67 1krh h GLU 100 Cb 0.29 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 1krh h GLU 100 CO 0.02 0.49 0.41 0.28 -1.16 0.00 0.00 179.01 179.05 1krh h VAL 101 N 0.46 1.11 0.00 3.13 2.07 -1.86 -1.57 116.25 119.58 1krh h VAL 101 Ca 0.13 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1krh h VAL 101 Cb 0.13 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.17 1krh h VAL 101 CO -0.01 0.14 0.00 0.00 0.02 0.00 0.00 177.57 177.72 1krh n LYS 103 N -0.90 2.10 -3.17 0.00 5.02 -0.59 -0.72 118.16 119.90 1krh n LYS 103 Ca 0.14 -1.71 -0.20 0.00 -2.02 0.00 0.00 58.31 54.52 1krh n LYS 103 Cb 0.06 -1.46 0.01 0.00 -0.02 0.00 0.00 35.03 33.62 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 -2.08 3.82 0.07 -0.18 -4.23 -0.94 -5.01 115.64 107.09 1krh s THR 104 Ca 0.27 -0.78 0.04 0.00 -1.18 0.00 0.00 61.69 60.04 1krh s THR 104 Cb 0.20 -3.36 -0.03 0.00 1.34 0.00 0.00 72.50 70.65 1krh s THR 104 CO 0.35 -0.19 -0.12 -0.54 -0.54 0.00 0.00 174.62 173.57 1krh s LYS 105 N -4.38 0.76 0.55 3.99 1.02 -1.26 -4.76 119.74 115.65 1krh s LYS 105 Ca 0.48 -0.94 -0.08 0.00 0.02 0.00 0.00 55.97 55.45 1krh s LYS 105 Cb -0.10 -0.66 -0.04 0.00 -0.52 0.00 0.00 37.83 36.51 1krh s LYS 105 CO 0.34 0.14 0.91 0.96 -0.92 0.00 0.00 175.35 176.78 1krh s ILE 106 N -1.48 4.80 0.26 2.17 -4.36 -1.26 -4.78 121.20 116.55 1krh s ILE 106 Ca -0.03 0.53 -0.08 0.00 -0.26 0.00 0.00 60.65 60.81 1krh s ILE 106 Cb -0.09 -3.86 -0.01 0.00 1.25 0.00 0.00 42.46 39.75 1krh s ILE 106 CO 0.02 -0.99 0.41 -1.00 0.24 0.00 0.00 174.94 173.61 1krh s HIS 107 N -2.96 0.66 -0.09 1.37 3.76 -0.55 -4.92 115.29 112.56 1krh s HIS 107 Ca 0.51 -0.97 -0.04 0.00 -0.15 0.00 0.00 55.06 54.41 1krh s HIS 107 Cb -0.11 -0.01 -0.04 0.00 1.11 0.00 0.00 32.58 33.54 1krh s HIS 107 CO 0.49 -0.96 0.07 -1.58 -0.85 0.00 0.00 174.74 171.91 1krh s HIS 108 N -3.84 3.35 0.01 1.40 2.46 -1.26 -1.48 115.29 115.93 1krh s HIS 108 Ca 0.27 0.33 0.05 0.00 0.47 0.00 0.00 55.06 56.19 1krh s HIS 108 Cb 0.01 -1.85 -0.02 0.00 -0.13 0.00 0.00 32.58 30.60 1krh s HIS 108 CO 0.12 0.59 -0.16 -0.06 -2.47 0.00 0.00 174.74 172.75 1krh s PHE 109 N -0.97 1.46 -0.06 3.88 0.40 0.10 -4.99 117.98 117.80 1krh s PHE 109 Ca 0.15 -0.31 0.00 0.00 -0.60 0.00 0.00 56.93 56.17 1krh s PHE 109 Cb -0.12 -0.91 -0.03 0.00 0.51 0.00 0.00 43.02 42.47 1krh s PHE 109 CO 0.04 0.01 -0.03 -1.21 0.70 0.00 0.00 175.22 174.73 1krh s GLU 110 N -0.71 2.83 0.10 0.44 0.41 -1.26 -1.56 118.70 118.95 1krh s GLU 110 Ca 0.05 -0.51 -0.04 0.00 -0.41 0.00 0.00 54.97 54.06 1krh s GLU 110 Cb -0.07 -2.67 0.01 0.00 -1.78 0.00 0.00 34.13 29.62 1krh s GLU 110 CO 0.00 0.67 0.20 0.41 -0.49 0.00 0.00 175.26 176.06 1krh n GLY 111 N 2.05 1.78 3.08 -1.39 0.00 0.23 -1.08 105.19 109.87 1krh n GLY 111 Ca -0.18 -1.09 -0.16 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.75 0.76 -0.31 2.61 -4.23 -0.11 -0.78 115.64 110.83 1krh s THR 112 Ca 0.04 -0.91 -0.28 0.00 -1.18 0.00 0.00 61.69 59.36 1krh s THR 112 Cb -0.01 -0.74 -0.02 0.00 1.34 0.00 0.00 72.50 73.07 1krh s THR 112 CO 0.03 -0.14 1.77 -0.22 -0.54 0.00 0.00 174.62 175.52 1krh s LEU 113 N -1.16 3.57 0.08 4.79 2.96 0.77 -0.65 118.68 129.03 1krh s LEU 113 Ca -0.03 1.37 0.14 0.00 -0.22 0.00 0.00 54.13 55.39 1krh s LEU 113 Cb -0.08 -3.53 -0.14 0.00 0.50 0.00 0.00 46.19 42.95 1krh s LEU 113 CO 0.01 -1.63 0.95 0.00 -1.32 0.00 0.00 176.35 174.36 1krh h ALA 114 N 12.50 0.65 -1.85 5.97 0.00 -1.40 0.54 119.26 135.67 1krh h ALA 114 Ca -0.34 -0.96 -0.01 0.00 0.00 0.00 0.00 54.91 53.60 1krh h ALA 114 Cb 1.17 0.22 -0.21 0.00 0.00 0.00 0.00 17.79 18.96 1krh h ALA 114 CO 1.02 1.10 0.29 0.50 0.00 0.00 0.00 179.25 182.17 1krh s ARG 115 N -2.81 0.83 -0.15 0.00 3.52 -1.23 -4.82 118.95 114.29 1krh s ARG 115 Ca -0.02 0.44 -0.09 0.00 -0.13 0.00 0.00 55.73 55.94 1krh s ARG 115 Cb 0.08 0.40 0.05 0.00 -1.56 0.00 0.00 34.95 33.93 1krh s ARG 115 CO 0.81 -0.21 0.37 0.54 -0.81 0.00 0.00 175.30 176.00 1krh s VAL 116 N -0.63 -0.03 -0.04 7.11 0.11 -1.26 -0.95 120.40 124.71 1krh s VAL 116 Ca -0.05 0.10 -0.05 0.00 -2.93 0.00 0.00 61.98 59.05 1krh s VAL 116 Cb -0.02 -0.55 0.01 0.00 -1.53 0.00 0.00 36.38 34.29 1krh s VAL 116 CO 0.04 0.04 0.12 -0.70 -3.33 0.00 0.00 175.10 171.27 1krh s GLU 117 N 1.24 0.19 -0.75 1.54 2.12 0.10 -5.00 118.70 118.14 1krh s GLU 117 Ca -0.08 0.09 -0.18 0.00 0.36 0.00 0.00 54.97 55.15 1krh s GLU 117 Cb -0.08 0.09 0.13 0.00 0.26 0.00 0.00 34.13 34.53 1krh s GLU 117 CO -0.10 -0.03 0.86 -0.80 -0.54 0.00 0.00 175.26 174.65 1krh s ASN 118 N -0.14 6.44 0.34 -1.70 0.01 -1.26 -1.30 114.94 117.32 1krh s ASN 118 Ca -0.02 -1.86 0.01 0.00 -0.71 0.00 0.00 52.86 50.29 1krh s ASN 118 Cb -0.02 -2.32 0.58 0.00 0.41 0.00 0.00 41.25 39.91 1krh s ASN 118 CO 0.00 -1.01 1.98 -0.07 -1.51 0.00 0.00 177.10 176.50 1krh h LEU 119 N 9.73 0.76 0.00 0.60 3.38 -1.42 -3.45 115.31 124.91 1krh h LEU 119 Ca -0.07 -0.03 -0.18 0.00 0.09 0.00 0.00 57.88 57.69 1krh h LEU 119 Cb 1.06 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.58 1krh h LEU 119 CO 1.04 0.57 0.03 -1.54 0.09 0.00 0.00 178.44 178.63 1krh n SER 120 N -4.41 -1.78 0.14 -0.43 3.41 -1.08 -4.97 113.62 104.49 1krh n SER 120 Ca 0.06 -2.79 0.12 0.00 -0.26 0.00 0.00 58.87 56.00 1krh n SER 120 Cb 0.06 3.13 0.51 0.00 -0.26 0.00 0.00 64.21 67.65 1krh n SER 120 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1krh n ASP 121 N -1.58 0.69 -0.01 4.04 8.00 -1.26 -3.14 116.55 123.29 1krh n ASP 121 Ca -0.03 0.68 0.07 0.00 0.71 0.00 0.00 54.79 56.21 1krh n ASP 121 Cb 0.60 -0.82 -0.10 0.00 -0.02 0.00 0.00 41.12 40.78 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 -2.27 1.82 -4.13 -2.24 3.41 -1.26 -4.70 113.62 104.25 1krh n SER 122 Ca 0.02 -0.10 -0.29 0.00 -0.26 0.00 0.00 58.87 58.24 1krh n SER 122 Cb 0.22 1.53 -0.17 0.00 -0.26 0.00 0.00 64.21 65.53 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 -2.83 1.65 -0.04 6.66 2.01 -1.19 -0.16 115.64 121.74 1krh s THR 123 Ca -0.04 -0.78 0.07 0.00 0.31 0.00 0.00 61.69 61.25 1krh s THR 123 Cb 0.09 -1.45 -0.02 0.00 0.01 0.00 0.00 72.50 71.13 1krh s THR 123 CO 0.55 0.47 -0.24 -0.63 -0.69 0.00 0.00 174.62 174.08 1krh s ILE 124 N 0.48 2.21 -0.01 1.82 1.01 0.99 -0.97 121.20 126.72 1krh s ILE 124 Ca -0.17 -1.03 0.05 0.00 0.00 0.00 0.00 60.65 59.50 1krh s ILE 124 Cb -0.17 -1.79 -0.01 0.00 0.01 0.00 0.00 42.46 40.50 1krh s ILE 124 CO 0.07 0.58 -0.16 0.42 0.00 0.00 0.00 174.94 175.84 1krh s THR 125 N -0.43 1.25 0.05 2.92 -4.23 -0.42 0.32 115.64 115.10 1krh s THR 125 Ca 0.04 -0.68 -0.16 0.00 -1.18 0.00 0.00 61.69 59.72 1krh s THR 125 Cb -0.12 -1.04 0.03 0.00 1.34 0.00 0.00 72.50 72.71 1krh s THR 125 CO 0.01 0.35 0.36 0.72 -0.54 0.00 0.00 174.62 175.52 1krh s PHE 126 N -0.37 -0.18 -0.02 3.99 -0.12 -0.96 -0.72 117.98 119.61 1krh s PHE 126 Ca 0.06 0.06 0.08 0.00 -0.05 0.00 0.00 56.93 57.08 1krh s PHE 126 Cb -0.06 0.16 -0.02 0.00 -0.63 0.00 0.00 43.02 42.46 1krh s PHE 126 CO -0.01 -0.55 -0.25 -0.51 -0.05 0.00 0.00 175.22 173.86 1krh s ASP 127 N -2.10 3.14 -0.22 1.98 1.01 -0.12 -1.29 116.67 119.06 1krh s ASP 127 Ca -0.04 -0.46 -0.01 0.00 0.71 0.00 0.00 52.55 52.74 1krh s ASP 127 Cb -0.01 -0.37 0.01 0.00 1.01 0.00 0.00 42.92 43.57 1krh s ASP 127 CO -0.04 0.32 -0.09 -0.63 0.21 0.00 0.00 175.17 174.94 1krh s ILE 128 N -0.64 2.78 -0.20 0.77 1.01 -0.07 -0.98 121.20 123.86 1krh s ILE 128 Ca 0.10 -0.86 -0.19 0.00 0.00 0.00 0.00 60.65 59.70 1krh s ILE 128 Cb -0.10 -2.31 -0.03 0.00 0.01 0.00 0.00 42.46 40.03 1krh s ILE 128 CO -0.01 0.35 0.57 -1.58 0.00 0.00 0.00 174.94 174.28 1krh s GLN 129 N 1.36 4.19 0.32 2.79 2.00 0.17 -1.04 119.66 129.45 1krh s GLN 129 Ca 0.03 0.50 -0.29 0.00 -2.00 0.00 0.00 55.36 53.60 1krh s GLN 129 Cb -0.15 -3.58 -0.11 0.00 0.80 0.00 0.00 33.01 29.98 1krh s GLN 129 CO -0.06 -0.21 1.41 -0.51 -0.50 0.00 0.00 175.29 175.42 1krh s LEU 130 N 1.81 4.38 0.60 3.68 1.43 -0.71 -0.93 118.68 128.94 1krh s LEU 130 Ca 0.26 2.82 -0.18 0.00 -1.03 0.00 0.00 54.13 56.00 1krh s LEU 130 Cb -0.16 -3.65 -0.03 0.00 0.03 0.00 0.00 46.19 42.39 1krh s LEU 130 CO 0.10 -0.71 1.17 -1.81 0.23 0.00 0.00 176.35 175.33 1krh s ASP 131 N -0.12 5.24 0.27 2.29 1.01 -0.24 -4.86 116.67 120.26 1krh s ASP 131 Ca 0.53 2.26 -0.30 0.00 0.71 0.00 0.00 52.55 55.75 1krh s ASP 131 Cb -0.43 -2.58 -0.13 0.00 1.01 0.00 0.00 42.92 40.79 1krh s ASP 131 CO 0.54 -1.55 1.45 -0.67 0.21 0.00 0.00 175.17 175.15 1krh n ASP 132 N -1.74 3.13 0.00 0.27 2.03 -1.26 -1.34 116.55 117.64 1krh n ASP 132 Ca 0.12 1.16 0.00 0.00 0.52 0.00 0.00 54.79 56.59 1krh n ASP 132 Cb 0.50 -1.49 0.00 0.00 -0.72 0.00 0.00 41.12 39.41 1krh n ASP 132 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1krh n GLY 133 N 1.91 2.29 3.73 0.27 0.00 -1.26 -5.03 105.19 107.09 1krh n GLY 133 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.55 4.62 0.75 1.61 -1.52 -0.45 -5.02 119.66 119.10 1krh s GLN 134 Ca 0.00 1.58 -0.12 0.00 -1.95 0.00 0.00 55.36 54.86 1krh s GLN 134 Cb 0.00 -3.34 0.05 0.00 -0.22 0.00 0.00 33.01 29.49 1krh s GLN 134 CO 0.00 0.10 1.12 -1.25 -0.25 0.00 0.00 175.29 175.00 1krh s PRO 135 N 0.05 2.28 0.60 2.91 0.04 -1.26 -4.92 135.00 134.69 1krh s PRO 135 Ca 0.49 1.35 -0.18 0.00 0.04 0.00 0.00 61.00 62.71 1krh s PRO 135 Cb -0.26 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.36 1krh s PRO 135 CO 0.31 -1.65 1.15 -0.51 0.04 0.00 0.00 177.00 176.34 1krh s ASP 136 N -2.89 5.36 -0.24 6.66 1.01 -1.26 -5.00 116.67 120.30 1krh s ASP 136 Ca 0.65 2.19 -0.10 0.00 0.71 0.00 0.00 52.55 55.99 1krh s ASP 136 Cb -0.20 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.10 1krh s ASP 136 CO 0.50 -1.47 0.16 -0.51 0.21 0.00 0.00 175.17 174.06 1krh s ILE 137 N -1.90 5.31 -0.42 0.77 2.07 -1.26 -5.04 121.20 120.74 1krh s ILE 137 Ca 0.72 0.16 -0.20 0.00 -1.41 0.00 0.00 60.65 59.93 1krh s ILE 137 Cb -0.25 -3.48 0.02 0.00 0.13 0.00 0.00 42.46 38.88 1krh s ILE 137 CO 0.33 0.34 0.60 -1.00 -1.91 0.00 0.00 174.94 173.30 1krh s HIS 138 N 1.15 3.10 0.15 3.50 3.76 -1.26 -4.63 115.29 121.06 1krh s HIS 138 Ca 0.07 -0.03 0.02 0.00 -0.15 0.00 0.00 55.06 54.97 1krh s HIS 138 Cb -0.14 -3.22 -0.04 0.00 1.11 0.00 0.00 32.58 30.28 1krh s HIS 138 CO 0.05 -0.79 -0.03 -0.59 -0.85 0.00 0.00 174.74 172.54 1krh s PHE 139 N 2.68 1.14 -0.15 1.40 -0.71 -1.26 -4.62 117.98 116.46 1krh s PHE 139 Ca 0.21 -0.96 -0.07 0.00 -1.04 0.00 0.00 56.93 55.07 1krh s PHE 139 Cb -0.15 -0.64 -0.04 0.00 -1.21 0.00 0.00 43.02 40.98 1krh s PHE 139 CO 0.17 -0.16 0.09 -0.51 -1.34 0.00 0.00 175.22 173.48 1krh s LEU 140 N -3.14 4.06 -0.28 -1.99 1.43 -1.26 -4.70 118.68 112.80 1krh s LEU 140 Ca 0.20 0.27 -0.40 0.00 -1.03 0.00 0.00 54.13 53.17 1krh s LEU 140 Cb 0.05 -2.00 -0.15 0.00 0.03 0.00 0.00 46.19 44.12 1krh s LEU 140 CO 0.01 0.30 1.80 0.00 0.23 0.00 0.00 176.35 178.69 1krh n ALA 141 N 2.71 -0.01 0.00 4.21 0.00 -1.26 -1.25 120.51 124.91 1krh n ALA 141 Ca -0.18 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1krh n ALA 141 Cb 0.53 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.72 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 4.47 2.14 3.82 0.00 0.00 -1.26 -2.44 105.19 111.93 1krh n GLY 142 Ca 0.28 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.01 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 1.90 0.33 1.61 -0.21 -0.38 -4.70 119.66 118.20 1krh s GLN 143 Ca 0.00 0.45 0.05 0.00 0.02 0.00 0.00 55.36 55.88 1krh s GLN 143 Cb 0.00 -1.91 -0.06 0.00 1.00 0.00 0.00 33.01 32.03 1krh s GLN 143 CO 0.00 -1.71 0.02 1.52 -2.12 0.00 0.00 175.29 173.00 1krh s TYR 144 N -3.27 2.06 0.09 0.91 -0.85 -0.43 -2.49 117.35 113.37 1krh s TYR 144 Ca 0.61 -0.83 0.05 0.00 -0.52 0.00 0.00 57.07 56.38 1krh s TYR 144 Cb -0.14 -1.33 -0.03 0.00 0.38 0.00 0.00 41.96 40.85 1krh s TYR 144 CO 0.53 0.16 -0.13 0.14 -1.52 0.00 0.00 175.55 174.74 1krh s VAL 145 N -3.11 1.09 -0.52 -3.49 -7.23 -0.35 -0.25 120.40 106.54 1krh s VAL 145 Ca 0.34 -1.49 -0.19 0.00 -1.81 0.00 0.00 61.98 58.83 1krh s VAL 145 Cb 0.08 -1.24 0.06 0.00 0.56 0.00 0.00 36.38 35.84 1krh s VAL 145 CO 0.15 -0.37 0.65 0.20 -0.31 0.00 0.00 175.10 175.41 1krh s ASN 146 N -2.11 6.22 0.07 4.85 0.01 0.30 -1.33 114.94 122.95 1krh s ASN 146 Ca 0.02 -0.98 -0.27 0.00 -0.71 0.00 0.00 52.86 50.93 1krh s ASN 146 Cb -0.07 -2.30 -0.05 0.00 0.41 0.00 0.00 41.25 39.24 1krh s ASN 146 CO 0.02 -0.94 0.85 -0.69 -1.51 0.00 0.00 177.10 174.83 1krh s VAL 147 N 2.68 4.65 0.24 1.60 1.01 -0.01 -1.27 120.40 129.30 1krh s VAL 147 Ca 0.15 1.82 -0.30 0.00 0.00 0.00 0.00 61.98 63.65 1krh s VAL 147 Cb -0.20 -4.20 -0.09 0.00 0.00 0.00 0.00 36.38 31.89 1krh s VAL 147 CO 0.11 0.33 1.30 -0.89 0.00 0.00 0.00 175.10 175.96 1krh s THR 148 N 0.04 3.08 -0.39 3.92 2.01 -0.19 -0.61 115.64 123.49 1krh s THR 148 Ca 0.42 0.94 -0.26 0.00 0.31 0.00 0.00 61.69 63.11 1krh s THR 148 Cb -0.22 -3.60 0.02 0.00 0.01 0.00 0.00 72.50 68.71 1krh s THR 148 CO 0.26 0.17 0.94 -0.22 -0.69 0.00 0.00 174.62 175.07 1krh s LEU 149 N -0.63 3.98 0.11 4.42 2.96 -0.17 -4.77 118.68 124.57 1krh s LEU 149 Ca 0.54 0.48 -0.35 0.00 -0.22 0.00 0.00 54.13 54.58 1krh s LEU 149 Cb -0.37 -3.27 -0.18 0.00 0.50 0.00 0.00 46.19 42.88 1krh s LEU 149 CO 0.42 -0.92 1.04 -2.65 -1.32 0.00 0.00 176.35 172.92 1krh n PRO 150 N 6.92 0.56 -0.64 0.98 -0.02 -1.26 -1.63 135.00 139.91 1krh n PRO 150 Ca 0.07 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 1krh n PRO 150 Cb 0.48 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 32.33 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 1.90 1.30 2.70 -1.23 0.00 -1.26 -5.00 105.19 103.59 1krh n GLY 151 Ca 0.18 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.02 1krh n GLY 151 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1krh n THR 152 N -2.00 0.00 -0.08 2.61 5.66 -0.65 -5.04 114.28 114.79 1krh n THR 152 Ca 0.00 -2.00 0.08 0.00 -3.05 0.00 0.00 64.05 59.08 1krh n THR 152 Cb 0.00 0.90 0.20 0.00 -1.55 0.00 0.00 70.33 69.88 1krh n THR 152 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1krh n THR 153 N -0.61 0.80 -2.37 1.09 -2.24 -1.26 -4.66 114.28 105.04 1krh n THR 153 Ca 0.03 -0.90 -0.27 0.00 -2.27 0.00 0.00 64.05 60.63 1krh n THR 153 Cb 0.50 0.67 0.03 0.00 -2.10 0.00 0.00 70.33 69.43 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 -1.08 2.98 0.24 -0.78 2.02 -1.26 -4.96 118.70 115.86 1krh s GLU 154 Ca 0.32 0.06 0.02 0.00 0.02 0.00 0.00 54.97 55.38 1krh s GLU 154 Cb 0.17 -2.26 -0.05 0.00 0.10 0.00 0.00 34.13 32.09 1krh s GLU 154 CO 0.23 -0.68 0.06 0.95 0.02 0.00 0.00 175.26 175.85 1krh s THR 155 N -3.00 0.64 -0.02 3.63 -4.23 -1.26 -1.00 115.64 110.39 1krh s THR 155 Ca 0.54 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.05 1krh s THR 155 Cb -0.11 -2.49 0.03 0.00 1.34 0.00 0.00 72.50 71.27 1krh s THR 155 CO 0.46 -0.14 0.02 -0.13 -0.54 0.00 0.00 174.62 174.29 1krh s ARG 156 N -3.99 0.07 0.11 3.99 1.81 0.22 -4.85 118.95 116.31 1krh s ARG 156 Ca 0.34 0.15 -0.30 0.00 -1.72 0.00 0.00 55.73 54.19 1krh s ARG 156 Cb 0.07 -0.32 -0.06 0.00 -0.45 0.00 0.00 34.95 34.18 1krh s ARG 156 CO 0.11 -0.16 1.19 -1.12 -0.68 0.00 0.00 175.30 174.64 1krh s SER 157 N 1.05 7.10 -0.02 0.23 0.01 -1.26 -0.83 113.70 119.97 1krh s SER 157 Ca -0.09 2.08 -0.01 0.00 1.31 0.00 0.00 55.95 59.24 1krh s SER 157 Cb -0.13 -2.59 0.01 0.00 0.21 0.00 0.00 66.02 63.52 1krh s SER 157 CO -0.03 -0.42 0.05 -0.31 0.41 0.00 0.00 173.24 172.95 1krh s TYR 158 N 0.64 -0.04 -0.05 2.43 1.51 -0.44 -4.96 117.35 116.44 1krh s TYR 158 Ca 0.56 0.16 -0.24 0.00 -1.01 0.00 0.00 57.07 56.55 1krh s TYR 158 Cb -0.30 -0.05 -0.04 0.00 -0.11 0.00 0.00 41.96 41.46 1krh s TYR 158 CO 0.32 -0.05 0.72 -1.12 -1.11 0.00 0.00 175.55 174.30 1krh s SER 159 N 0.37 7.03 0.24 2.29 0.01 -1.26 -1.21 113.70 121.17 1krh s SER 159 Ca -0.03 1.24 -0.31 0.00 1.31 0.00 0.00 55.95 58.16 1krh s SER 159 Cb -0.04 -2.42 -0.11 0.00 0.21 0.00 0.00 66.02 63.65 1krh s SER 159 CO -0.01 -0.11 1.58 -0.36 0.41 0.00 0.00 173.24 174.75 1krh s PHE 160 N 0.72 2.90 -0.72 2.43 0.40 -1.04 -4.52 117.98 118.16 1krh s PHE 160 Ca 0.38 0.72 0.19 0.00 -0.60 0.00 0.00 56.93 57.62 1krh s PHE 160 Cb -0.18 -4.00 -0.22 0.00 0.51 0.00 0.00 43.02 39.12 1krh s PHE 160 CO 0.19 -3.50 0.73 -1.13 0.70 0.00 0.00 175.22 172.21 1krh n SER 161 N 2.93 0.82 -4.92 1.36 3.41 -0.00 -4.10 113.62 113.12 1krh n SER 161 Ca 0.11 -0.76 -0.26 0.00 -0.26 0.00 0.00 58.87 57.70 1krh n SER 161 Cb 0.38 1.18 0.02 0.00 -0.26 0.00 0.00 64.21 65.53 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 -3.07 5.74 0.31 4.04 1.04 -1.22 -3.10 113.70 117.44 1krh s SER 162 Ca 0.04 0.66 -0.07 0.00 0.48 0.00 0.00 55.95 57.06 1krh s SER 162 Cb 0.14 -1.75 -0.06 0.00 0.10 0.00 0.00 66.02 64.45 1krh s SER 162 CO 0.78 -0.91 0.60 0.00 0.98 0.00 0.00 173.24 174.69 1krh s GLN 163 N -4.86 3.68 0.29 4.02 -2.07 -1.26 -4.60 119.66 114.86 1krh s GLN 163 Ca 0.52 0.14 -0.29 0.00 -1.82 0.00 0.00 55.36 53.90 1krh s GLN 163 Cb -0.10 -2.59 -0.13 0.00 -1.09 0.00 0.00 33.01 29.10 1krh s GLN 163 CO 0.44 0.17 1.25 -2.30 -1.32 0.00 0.00 175.29 173.52 1krh n PRO 164 N -0.94 1.87 0.00 9.60 -0.02 -1.26 -2.02 135.00 142.23 1krh n PRO 164 Ca -0.01 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 1krh n PRO 164 Cb 0.54 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 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 1.33 3.31 3.62 -1.23 0.00 -1.26 -5.03 105.19 105.93 1krh n GLY 165 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.32 6.76 0.02 1.61 3.84 -0.85 -4.89 114.94 121.11 1krh s ASN 166 Ca 0.00 0.71 0.19 0.00 0.21 0.00 0.00 52.86 53.97 1krh s ASN 166 Cb 0.00 -2.53 0.79 0.00 -0.55 0.00 0.00 41.25 38.96 1krh s ASN 166 CO 0.00 -1.02 1.59 0.54 -2.79 0.00 0.00 177.10 175.43 1krh n ARG 167 N 7.21 0.02 -3.22 0.43 1.74 -1.26 -3.74 116.66 117.85 1krh n ARG 167 Ca 0.11 0.21 -0.46 0.00 -0.77 0.00 0.00 57.85 56.94 1krh n ARG 167 Cb 0.48 -1.53 -0.02 0.00 -1.02 0.00 0.00 32.46 30.37 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 -3.14 6.24 0.47 0.55 2.96 -1.26 -1.73 118.68 122.77 1krh s LEU 168 Ca 0.08 -2.68 -0.21 0.00 -0.22 0.00 0.00 54.13 51.11 1krh s LEU 168 Cb 0.12 -2.26 -0.08 0.00 0.50 0.00 0.00 46.19 44.46 1krh s LEU 168 CO 0.34 -0.66 1.05 0.42 -1.32 0.00 0.00 176.35 176.19 1krh s THR 169 N 0.63 3.69 0.12 3.68 -4.23 -0.21 -4.85 115.64 114.47 1krh s THR 169 Ca 0.24 1.11 0.06 0.00 -1.18 0.00 0.00 61.69 61.93 1krh s THR 169 Cb -0.08 -3.48 -0.04 0.00 1.34 0.00 0.00 72.50 70.24 1krh s THR 169 CO -0.09 -0.17 -0.15 -0.83 -0.54 0.00 0.00 174.62 172.84 1krh s GLY 170 N -1.85 1.12 0.04 3.99 0.00 -1.26 -0.90 107.32 108.45 1krh s GLY 170 Ca 0.66 -1.29 -0.05 0.00 0.00 0.00 0.00 44.72 44.04 1krh s GLY 170 CO 0.23 -1.34 0.09 -1.36 0.00 0.00 0.00 173.10 170.72 1krh s PHE 171 N -1.95 0.20 -0.15 1.90 0.40 -0.41 -0.82 117.98 117.15 1krh s PHE 171 Ca 0.09 -0.50 -0.00 0.00 -0.60 0.00 0.00 56.93 55.91 1krh s PHE 171 Cb -0.06 -0.14 0.03 0.00 0.51 0.00 0.00 43.02 43.36 1krh s PHE 171 CO 0.04 -0.36 -0.07 0.08 0.70 0.00 0.00 175.22 175.61 1krh s VAL 172 N -2.54 1.19 -0.01 -0.44 1.01 -1.26 -2.27 120.40 116.08 1krh s VAL 172 Ca -0.06 -0.57 0.06 0.00 0.00 0.00 0.00 61.98 61.42 1krh s VAL 172 Cb -0.02 -1.28 -0.02 0.00 0.00 0.00 0.00 36.38 35.07 1krh s VAL 172 CO -0.04 0.24 -0.20 -0.69 0.00 0.00 0.00 175.10 174.41 1krh s VAL 173 N 1.61 1.58 0.00 2.92 1.01 0.15 -4.87 120.40 122.80 1krh s VAL 173 Ca 0.02 -0.89 -0.29 0.00 0.00 0.00 0.00 61.98 60.82 1krh s VAL 173 Cb -0.14 -1.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 1krh s VAL 173 CO -0.08 0.42 0.94 -0.60 0.00 0.00 0.00 175.10 175.78 1krh s ARG 174 N -0.54 4.55 -0.78 2.72 6.06 -1.26 -0.01 118.95 129.69 1krh s ARG 174 Ca 0.08 1.36 -0.26 0.00 -2.50 0.00 0.00 55.73 54.40 1krh s ARG 174 Cb -0.08 -3.45 0.03 0.00 0.06 0.00 0.00 34.95 31.51 1krh s ARG 174 CO -0.00 -0.02 1.32 1.21 -2.50 0.00 0.00 175.30 175.31 1krh s ASN 175 N 0.91 6.19 -0.20 -2.12 3.04 0.77 -4.87 114.94 118.66 1krh s ASN 175 Ca 0.50 -0.58 -0.25 0.00 0.04 0.00 0.00 52.86 52.57 1krh s ASN 175 Cb -0.21 -2.56 -0.01 0.00 -1.54 0.00 0.00 41.25 36.93 1krh s ASN 175 CO 0.27 -1.81 0.83 -0.69 -3.04 0.00 0.00 177.10 172.67 1krh s VAL 176 N 5.72 4.86 0.15 -5.21 1.01 -1.26 -4.82 120.40 120.85 1krh s VAL 176 Ca 0.37 1.62 -0.34 0.00 0.00 0.00 0.00 61.98 63.63 1krh s VAL 176 Cb -0.07 -4.13 -0.14 0.00 0.00 0.00 0.00 36.38 32.04 1krh s VAL 176 CO 0.11 -0.01 1.58 -2.65 0.00 0.00 0.00 175.10 174.13 1krh n PRO 177 N 5.53 2.11 -0.95 2.72 -0.02 -1.26 -0.51 135.00 142.63 1krh n PRO 177 Ca 0.05 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1krh n PRO 177 Cb 0.48 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 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 3.45 -0.71 -2.58 -0.52 7.27 -1.26 -4.99 117.38 118.04 1krh n GLN 178 Ca 0.17 0.18 -0.38 0.00 0.07 0.00 0.00 57.00 57.03 1krh n GLN 178 Cb 0.28 -3.80 -0.05 0.00 2.41 0.00 0.00 30.24 29.08 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 2.92 -0.01 1.69 0.00 0.34 -4.98 107.32 105.29 1krh s GLY 179 Ca 0.00 0.73 -0.24 0.00 0.00 0.00 0.00 44.72 45.22 1krh s GLY 179 CO 0.00 1.25 1.12 0.50 0.00 0.00 0.00 173.10 175.97 1krh h LYS 180 N 3.32 -0.38 -0.46 2.90 1.57 -1.94 -0.58 116.57 121.00 1krh h LYS 180 Ca -0.47 0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.26 1krh h LYS 180 Cb 1.21 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.58 1krh h LYS 180 CO 0.65 -0.05 -0.03 1.98 -0.57 0.00 0.00 179.45 181.44 1krh h MET 181 N -0.82 0.78 -0.94 3.15 4.05 -1.97 -1.83 114.93 117.36 1krh h MET 181 Ca -0.04 -0.22 0.01 0.00 -0.28 0.00 0.00 59.70 59.17 1krh h MET 181 Cb 0.51 -0.09 -0.05 0.00 -0.80 0.00 0.00 31.60 31.18 1krh h MET 181 CO 0.07 0.81 0.62 0.77 0.23 0.00 0.00 176.91 179.40 1krh h SER 182 N 0.73 1.09 -0.19 1.39 0.02 -1.86 0.09 113.55 114.81 1krh h SER 182 Ca 0.14 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 1krh h SER 182 Cb 0.48 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 1krh h SER 182 CO 0.02 0.79 0.02 -0.08 -1.14 0.00 0.00 176.83 176.44 1krh h GLU 183 N 1.28 0.32 0.36 3.45 4.57 -0.75 -0.85 114.58 122.96 1krh h GLU 183 Ca 0.34 -0.09 -0.01 0.00 -1.18 0.00 0.00 59.36 58.43 1krh h GLU 183 Cb -0.14 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.40 1krh h GLU 183 CO -0.07 0.50 -0.26 -0.92 -1.18 0.00 0.00 179.01 177.07 1krh h TYR 184 N 0.09 -0.70 -0.62 0.92 3.20 -0.91 -1.20 116.97 117.76 1krh h TYR 184 Ca 0.06 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.90 1krh h TYR 184 Cb 0.34 0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.84 1krh h TYR 184 CO 0.02 -0.40 0.32 -0.07 -1.64 0.00 0.00 178.16 176.40 1krh h LEU 185 N -0.62 0.80 0.00 2.82 3.38 -0.99 0.94 115.31 121.64 1krh h LEU 185 Ca -0.03 -0.12 -0.18 0.00 0.09 0.00 0.00 57.88 57.64 1krh h LEU 185 Cb 0.53 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1krh h LEU 185 CO 0.00 0.69 -0.87 0.77 0.09 0.00 0.00 178.44 179.12 1krh h SER 186 N 0.85 0.00 0.00 -0.43 4.64 -1.11 -3.39 113.55 114.11 1krh h SER 186 Ca 0.22 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.50 1krh h SER 186 Cb 0.09 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 1krh h SER 186 CO -0.03 0.86 -1.13 0.52 -0.87 0.00 0.00 176.83 176.18 1krh n VAL 187 N -3.31 0.13 0.07 0.95 0.31 -0.46 -4.91 118.33 111.11 1krh n VAL 187 Ca 0.00 -0.04 -0.23 0.00 -0.01 0.00 0.00 64.34 64.07 1krh n VAL 187 Cb 0.89 -1.30 -0.15 0.00 -0.91 0.00 0.00 33.84 32.37 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 -0.07 0.38 -6.48 5.55 4.20 -1.29 -3.48 115.11 113.92 1krh h GLN 188 Ca -0.06 -0.65 -0.61 0.00 0.06 0.00 0.00 58.65 57.39 1krh h GLN 188 Cb 1.06 0.24 0.09 0.00 0.30 0.00 0.00 27.48 29.17 1krh h GLN 188 CO -0.03 1.31 0.41 0.00 -0.67 0.00 0.00 178.83 179.85 1krh n ALA 189 N -2.86 0.22 -2.88 3.87 0.00 0.32 -5.02 120.51 114.15 1krh n ALA 189 Ca -0.24 0.43 -0.12 0.00 0.00 0.00 0.00 53.44 53.51 1krh n ALA 189 Cb 1.03 -2.14 -0.13 0.00 0.00 0.00 0.00 19.45 18.21 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 -0.61 0.30 0.26 0.00 1.02 -1.26 -4.98 119.74 114.47 1krh s LYS 190 Ca 0.68 -0.40 -0.30 0.00 0.02 0.00 0.00 55.97 55.97 1krh s LYS 190 Cb -0.73 -0.11 -0.13 0.00 -0.52 0.00 0.00 37.83 36.33 1krh s LYS 190 CO 0.53 0.02 1.29 0.00 -0.92 0.00 0.00 175.35 176.26 1krh n ALA 191 N 2.22 0.72 0.00 5.17 0.00 -1.26 -1.79 120.51 125.57 1krh n ALA 191 Ca -0.18 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.66 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 1.67 2.89 3.74 0.00 0.00 0.19 -4.98 105.19 108.69 1krh n GLY 192 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 1krh n GLY 192 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1krh n ASP 193 N 0.00 3.05 -4.73 1.61 9.92 -0.74 -4.60 116.55 121.06 1krh n ASP 193 Ca 0.00 1.11 -0.41 0.00 -0.53 0.00 0.00 54.79 54.96 1krh n ASP 193 Cb 0.00 -1.57 -0.04 0.00 -0.64 0.00 0.00 41.12 38.87 1krh n ASP 193 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1krh s LYS 194 N -2.39 4.59 0.12 -1.24 3.01 -1.26 -0.16 119.74 122.41 1krh s LYS 194 Ca 0.62 1.63 0.04 0.00 -1.01 0.00 0.00 55.97 57.24 1krh s LYS 194 Cb -0.47 -3.33 -0.04 0.00 -1.01 0.00 0.00 37.83 32.98 1krh s LYS 194 CO 0.57 0.05 -0.09 -1.64 0.51 0.00 0.00 175.35 174.75 1krh s MET 195 N 0.05 0.95 0.06 1.68 -1.94 0.04 -4.86 119.30 115.28 1krh s MET 195 Ca 0.50 -1.35 -0.21 0.00 -1.71 0.00 0.00 55.69 52.92 1krh s MET 195 Cb -0.27 -0.49 0.05 0.00 2.01 0.00 0.00 34.83 36.12 1krh s MET 195 CO 0.32 0.05 0.49 -1.54 -0.01 0.00 0.00 175.02 174.33 1krh s SER 196 N -2.97 -0.39 0.12 3.03 1.04 -1.26 -0.60 113.70 112.67 1krh s SER 196 Ca 0.13 0.08 -0.14 0.00 0.48 0.00 0.00 55.95 56.50 1krh s SER 196 Cb 0.02 0.48 0.02 0.00 0.10 0.00 0.00 66.02 66.64 1krh s SER 196 CO -0.01 -0.74 0.35 0.72 0.98 0.00 0.00 173.24 174.54 1krh s PHE 197 N -2.66 -0.07 0.02 5.02 -0.12 -0.60 -1.03 117.98 118.54 1krh s PHE 197 Ca -0.04 -0.28 0.08 0.00 -0.05 0.00 0.00 56.93 56.64 1krh s PHE 197 Cb -0.00 0.17 -0.02 0.00 -0.63 0.00 0.00 43.02 42.53 1krh s PHE 197 CO -0.03 -0.68 -0.24 0.99 -0.05 0.00 0.00 175.22 175.20 1krh s THR 198 N -3.83 1.96 -5.00 -4.49 2.01 -0.40 0.03 115.64 105.92 1krh s THR 198 Ca 0.05 -1.23 0.00 0.00 0.31 0.00 0.00 61.69 60.82 1krh s THR 198 Cb 0.03 -1.67 0.00 0.00 0.01 0.00 0.00 72.50 70.87 1krh s THR 198 CO -0.11 0.40 0.00 0.61 -0.69 0.00 0.00 174.62 174.83 1krh n GLY 199 N 2.04 -0.35 3.88 4.40 0.00 -0.55 -0.54 105.19 114.08 1krh n GLY 199 Ca -0.17 -1.16 -0.30 0.00 0.00 0.00 0.00 46.02 44.40 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 3.24 0.21 1.61 0.04 -1.26 -1.49 135.00 135.35 1krh s PRO 200 Ca 0.00 0.54 0.05 0.00 0.04 0.00 0.00 61.00 61.63 1krh s PRO 200 Cb 0.00 -2.09 -0.05 0.00 0.04 0.00 0.00 34.50 32.40 1krh s PRO 200 CO 0.00 -0.74 -0.07 -0.06 0.04 0.00 0.00 177.00 176.16 1krh s PHE 201 N -3.21 1.56 0.00 0.56 0.08 0.65 -4.81 117.98 112.82 1krh s PHE 201 Ca 0.56 -0.76 0.00 0.00 0.12 0.00 0.00 56.93 56.84 1krh s PHE 201 Cb -0.11 -0.83 0.00 0.00 -0.57 0.00 0.00 43.02 41.51 1krh s PHE 201 CO 0.52 0.13 0.00 0.41 -0.10 0.00 0.00 175.22 176.18 1krh n GLY 202 N -0.37 2.54 1.01 4.36 0.00 -1.26 -1.31 105.19 110.16 1krh n GLY 202 Ca -0.07 -1.58 0.10 0.00 0.00 0.00 0.00 46.02 44.47 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 3.21 -4.48 1.61 3.41 -1.26 -4.86 113.62 111.25 1krh n SER 203 Ca 0.00 -1.93 -0.43 0.00 -0.26 0.00 0.00 58.87 56.25 1krh n SER 203 Cb 0.00 -0.20 -0.08 0.00 -0.26 0.00 0.00 64.21 63.67 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 -1.40 3.14 0.07 7.33 5.36 -1.26 -4.95 117.98 126.27 1krh s PHE 204 Ca 0.33 -0.36 -0.27 0.00 -0.96 0.00 0.00 56.93 55.67 1krh s PHE 204 Cb 0.20 -3.05 0.09 0.00 -0.34 0.00 0.00 43.02 39.92 1krh s PHE 204 CO 0.28 -0.77 1.02 1.52 -1.46 0.00 0.00 175.22 175.82 1krh s TYR 205 N 2.29 -0.15 0.02 10.12 -0.85 -1.26 -3.31 117.35 124.20 1krh s TYR 205 Ca 0.14 -0.06 -0.30 0.00 -0.52 0.00 0.00 57.07 56.33 1krh s TYR 205 Cb -0.17 0.59 -0.09 0.00 0.38 0.00 0.00 41.96 42.68 1krh s TYR 205 CO 0.14 -0.63 1.97 -1.17 -1.52 0.00 0.00 175.55 174.34 1krh s LEU 206 N -2.82 4.39 0.34 -3.49 2.96 -1.02 -5.01 118.68 114.03 1krh s LEU 206 Ca 0.11 2.63 0.06 0.00 -0.22 0.00 0.00 54.13 56.71 1krh s LEU 206 Cb -0.00 -3.53 -0.01 0.00 0.50 0.00 0.00 46.19 43.15 1krh s LEU 206 CO -0.02 -1.09 0.48 -0.13 -1.32 0.00 0.00 176.35 174.27 1krh s ARG 207 N 4.54 3.12 0.19 1.98 3.00 -1.26 -4.96 118.95 125.56 1krh s ARG 207 Ca 0.89 -0.98 -0.32 0.00 0.00 0.00 0.00 55.73 55.31 1krh s ARG 207 Cb -0.42 -2.81 -0.15 0.00 0.00 0.00 0.00 34.95 31.57 1krh s ARG 207 CO 0.41 0.05 1.28 -0.25 0.00 0.00 0.00 175.30 176.79 1krh n ASP 208 N -1.66 1.93 -4.50 0.23 8.00 -1.26 -4.85 116.55 114.44 1krh n ASP 208 Ca -0.00 1.14 -0.43 0.00 0.71 0.00 0.00 54.79 56.21 1krh n ASP 208 Cb 0.58 -1.30 -0.03 0.00 -0.02 0.00 0.00 41.12 40.36 1krh n ASP 208 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1krh s VAL 209 N -0.06 4.39 -1.28 2.53 1.01 -1.26 -4.73 120.40 121.00 1krh s VAL 209 Ca 0.72 -1.21 0.13 0.00 0.00 0.00 0.00 61.98 61.62 1krh s VAL 209 Cb -0.78 -4.89 0.30 0.00 0.00 0.00 0.00 36.38 31.01 1krh s VAL 209 CO 0.50 -1.68 1.20 2.29 0.00 0.00 0.00 175.10 177.41 1krh n LYS 210 N 7.53 2.29 -3.80 2.72 2.85 -1.26 -4.64 118.16 123.86 1krh n LYS 210 Ca 0.27 -1.92 -0.05 0.00 -1.05 0.00 0.00 58.31 55.56 1krh n LYS 210 Cb 0.50 -1.31 -0.01 0.00 -0.65 0.00 0.00 35.03 33.56 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 -1.03 1.43 0.63 -1.58 1.70 -1.26 -5.05 118.95 113.78 1krh s ARG 211 Ca 0.25 -0.80 -0.18 0.00 -0.47 0.00 0.00 55.73 54.53 1krh s ARG 211 Cb 0.14 0.48 -0.04 0.00 -0.57 0.00 0.00 34.95 34.96 1krh s ARG 211 CO 0.18 -0.65 0.97 -2.30 -1.08 0.00 0.00 175.30 172.42 1krh n PRO 212 N -0.48 0.83 -4.97 3.89 -0.02 -1.26 -4.74 135.00 128.25 1krh n PRO 212 Ca -0.05 0.33 -0.29 0.00 -2.02 0.00 0.00 63.50 61.47 1krh n PRO 212 Cb 0.60 -2.19 -0.15 0.00 -0.02 0.00 0.00 33.50 31.74 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 -1.55 1.91 -0.16 -1.45 1.01 -0.43 -1.13 120.40 118.60 1krh s VAL 213 Ca 0.77 -1.17 0.00 0.00 0.00 0.00 0.00 61.98 61.57 1krh s VAL 213 Cb -0.40 -1.62 0.03 0.00 0.00 0.00 0.00 36.38 34.39 1krh s VAL 213 CO 0.46 0.41 -0.10 -0.22 0.00 0.00 0.00 175.10 175.65 1krh s LEU 214 N -0.91 1.70 -0.17 3.92 2.96 0.04 -1.17 118.68 125.05 1krh s LEU 214 Ca 0.10 -0.57 -0.06 0.00 -0.22 0.00 0.00 54.13 53.37 1krh s LEU 214 Cb -0.09 -1.07 -0.04 0.00 0.50 0.00 0.00 46.19 45.49 1krh s LEU 214 CO 0.01 -0.11 0.03 -0.04 -1.32 0.00 0.00 176.35 174.91 1krh s MET 215 N 1.54 3.87 -0.21 1.98 -1.94 0.78 -0.70 119.30 124.62 1krh s MET 215 Ca 0.03 -0.40 0.01 0.00 -1.71 0.00 0.00 55.69 53.62 1krh s MET 215 Cb -0.14 -3.11 0.04 0.00 2.01 0.00 0.00 34.83 33.63 1krh s MET 215 CO -0.09 0.27 -0.12 -0.51 -0.01 0.00 0.00 175.02 174.57 1krh s LEU 216 N 0.33 2.53 -0.04 -0.03 1.43 0.12 -0.57 118.68 122.45 1krh s LEU 216 Ca 0.01 -0.98 0.07 0.00 -1.03 0.00 0.00 54.13 52.19 1krh s LEU 216 Cb -0.13 -1.34 -0.02 0.00 0.03 0.00 0.00 46.19 44.73 1krh s LEU 216 CO 0.01 -0.14 -0.23 0.00 0.23 0.00 0.00 176.35 176.22 1krh s ALA 217 N 1.31 2.26 -0.12 4.21 0.00 -0.26 -1.33 121.76 127.84 1krh s ALA 217 Ca -0.02 -1.07 0.02 0.00 0.00 0.00 0.00 51.96 50.88 1krh s ALA 217 Cb -0.17 -0.67 0.02 0.00 0.00 0.00 0.00 23.12 22.30 1krh s ALA 217 CO -0.08 0.50 -0.16 0.20 0.00 0.00 0.00 175.76 176.22 1krh s GLY 218 N -0.50 1.12 0.00 0.00 0.00 -0.35 -0.28 107.32 107.31 1krh s GLY 218 Ca 0.06 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 43.95 1krh s GLY 218 CO 0.01 0.26 0.00 0.61 0.00 0.00 0.00 173.10 173.97 1krh n GLY 219 N 4.31 3.59 0.00 0.20 0.00 0.18 -0.61 105.19 112.87 1krh n GLY 219 Ca -0.19 -0.09 0.08 0.00 0.00 0.00 0.00 46.02 45.82 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 0.31 2.61 -2.24 -1.26 -2.78 114.28 110.92 1krh n THR 220 Ca 0.00 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.82 1krh n THR 220 Cb 0.00 -0.40 0.19 0.00 -2.10 0.00 0.00 70.33 68.01 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 0.47 -0.73 0.22 3.38 0.00 0.22 -1.37 105.19 107.38 1krh n GLY 221 Ca 0.11 -0.03 0.07 0.00 0.00 0.00 0.00 46.02 46.18 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 0.91 -0.56 -0.61 6.09 -1.72 -3.34 117.51 118.27 1krh h ILE 222 Ca 0.00 -0.96 0.06 0.00 -1.37 0.00 0.00 64.86 62.59 1krh h ILE 222 Cb 0.13 1.56 -0.09 0.00 0.47 0.00 0.00 36.82 38.89 1krh h ILE 222 CO 0.00 0.25 -0.50 0.00 -3.07 0.00 0.00 178.15 174.82 1krh h ALA 223 N 1.75 -0.63 -0.28 0.18 0.00 -1.51 -1.17 119.26 117.60 1krh h ALA 223 Ca -0.00 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1krh h ALA 223 Cb 0.54 1.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.50 1krh h ALA 223 CO 0.03 -0.92 0.18 -1.00 0.00 0.00 0.00 179.25 177.55 1krh h PRO 224 N -0.21 0.35 -0.02 0.00 0.13 -1.71 -1.76 132.00 128.77 1krh h PRO 224 Ca 0.09 -0.02 -0.07 0.00 -0.87 0.00 0.00 66.00 65.13 1krh h PRO 224 Cb 0.46 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.50 1krh h PRO 224 CO -0.64 0.23 -0.32 0.74 -0.23 0.00 0.00 178.00 177.78 1krh h PHE 225 N 0.36 0.04 -0.57 1.56 -1.00 -1.43 -0.46 116.94 115.44 1krh h PHE 225 Ca 0.10 -0.01 -0.07 0.00 2.81 0.00 0.00 57.97 60.80 1krh h PHE 225 Cb -0.02 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 39.51 1krh h PHE 225 CO -0.00 0.35 0.06 -0.07 -1.61 0.00 0.00 178.31 177.05 1krh h LEU 226 N 0.03 0.89 0.09 1.54 3.38 -0.63 0.19 115.31 120.80 1krh h LEU 226 Ca 0.00 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 1krh h LEU 226 Cb 0.58 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1krh h LEU 226 CO 0.04 0.91 -0.05 -1.28 0.09 0.00 0.00 178.44 178.16 1krh h SER 227 N 0.87 -0.11 -0.81 -0.43 0.87 -1.29 -2.23 113.55 110.42 1krh h SER 227 Ca 0.17 -0.26 0.06 0.00 -1.23 0.00 0.00 61.79 60.53 1krh h SER 227 Cb 0.43 0.03 -0.06 0.00 -0.44 0.00 0.00 62.40 62.36 1krh h SER 227 CO 0.01 0.20 0.50 0.24 -0.53 0.00 0.00 176.83 177.26 1krh h MET 228 N -0.43 0.89 0.00 2.24 2.86 -0.82 -2.25 114.93 117.42 1krh h MET 228 Ca -0.01 -0.05 -0.10 0.00 -2.06 0.00 0.00 59.70 57.48 1krh h MET 228 Cb 0.36 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 1krh h MET 228 CO 0.02 0.59 -0.46 -0.07 1.06 0.00 0.00 176.91 178.05 1krh h LEU 229 N 0.92 0.00 -0.43 1.22 3.38 -0.58 -0.79 115.31 119.02 1krh h LEU 229 Ca 0.35 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.21 1krh h LEU 229 Cb 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1krh h LEU 229 CO -0.17 0.46 -0.19 1.56 0.09 0.00 0.00 178.44 180.19 1krh h GLN 230 N 0.00 0.90 -0.13 1.13 4.20 -0.83 0.74 115.11 121.12 1krh h GLN 230 Ca -0.00 -0.38 -0.02 0.00 0.06 0.00 0.00 58.65 58.30 1krh h GLN 230 Cb 0.84 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.58 1krh h GLN 230 CO 0.06 1.04 0.02 0.28 -0.67 0.00 0.00 178.83 179.55 1krh h VAL 231 N 0.73 1.23 -0.02 -0.54 2.07 -1.17 -2.99 116.25 115.56 1krh h VAL 231 Ca 0.10 -0.72 -0.07 0.00 0.82 0.00 0.00 66.70 66.83 1krh h VAL 231 Cb 0.76 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 1krh h VAL 231 CO 0.06 0.21 -0.31 0.25 0.02 0.00 0.00 177.57 177.81 1krh h LEU 232 N -0.01 0.04 -1.34 2.57 5.85 -1.08 -1.40 115.31 119.94 1krh h LEU 232 Ca 0.04 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 1krh h LEU 232 Cb 0.31 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1krh h LEU 232 CO 0.00 0.35 0.24 -0.08 -0.34 0.00 0.00 178.44 178.61 1krh h GLU 233 N 0.03 0.70 0.05 1.25 4.81 -0.70 0.35 114.58 121.07 1krh h GLU 233 Ca 0.00 -0.08 -0.29 0.00 -0.13 0.00 0.00 59.36 58.86 1krh h GLU 233 Cb 0.56 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.77 1krh h GLU 233 CO 0.04 0.54 -1.58 1.96 -0.73 0.00 0.00 179.01 179.24 1krh h GLN 234 N 0.70 0.10 0.05 1.92 4.20 -1.36 -3.36 115.11 117.37 1krh h GLN 234 Ca 0.18 -0.17 -0.23 0.00 0.06 0.00 0.00 58.65 58.49 1krh h GLN 234 Cb 0.07 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 1krh h GLN 234 CO -0.02 0.82 -1.05 -0.22 -0.67 0.00 0.00 178.83 177.69 1krh h LYS 235 N 0.03 0.21 0.00 1.46 3.64 -1.04 -3.50 116.57 117.36 1krh h LYS 235 Ca -0.25 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 58.84 1krh h LYS 235 Cb 1.98 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.90 1krh h LYS 235 CO 0.11 1.08 0.00 0.41 -2.27 0.00 0.00 179.45 178.78 1krh n GLY 236 N 1.23 -0.01 3.11 5.01 0.00 0.12 -5.05 105.19 109.61 1krh n GLY 236 Ca -0.05 -1.80 -0.13 0.00 0.00 0.00 0.00 46.02 44.04 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 -1.93 -0.21 0.00 1.61 0.15 -1.26 -4.88 113.70 107.17 1krh s SER 237 Ca 0.00 0.39 0.25 0.00 0.70 0.00 0.00 55.95 57.29 1krh s SER 237 Cb 0.00 0.43 0.53 0.00 -1.71 0.00 0.00 66.02 65.27 1krh s SER 237 CO 0.00 -0.11 1.43 -0.62 1.20 0.00 0.00 173.24 175.14 1krh n GLU 238 N 2.80 0.93 -4.11 5.44 -0.58 -1.26 -4.93 120.64 118.93 1krh n GLU 238 Ca -0.14 -0.63 -0.10 0.00 -0.42 0.00 0.00 57.16 55.87 1krh n GLU 238 Cb 0.58 -1.49 -0.10 0.00 -0.57 0.00 0.00 31.44 29.86 1krh n GLU 238 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 1krh s HIS 239 N -2.50 0.69 0.47 -0.32 3.76 -1.26 -5.04 115.29 111.09 1krh s HIS 239 Ca 0.22 -0.86 -0.23 0.00 -0.15 0.00 0.00 55.06 54.04 1krh s HIS 239 Cb 0.19 -0.43 -0.07 0.00 1.11 0.00 0.00 32.58 33.38 1krh s HIS 239 CO 0.54 -0.21 1.24 -1.25 -0.85 0.00 0.00 174.74 174.20 1krh s PRO 240 N -3.30 3.65 -0.11 8.40 0.04 -1.26 -4.87 135.00 137.54 1krh s PRO 240 Ca 0.05 1.96 -0.00 0.00 0.04 0.00 0.00 61.00 63.04 1krh s PRO 240 Cb 0.02 -2.44 0.02 0.00 0.04 0.00 0.00 34.50 32.15 1krh s PRO 240 CO -0.05 -0.70 -0.08 0.08 0.04 0.00 0.00 177.00 176.29 1krh s VAL 241 N -1.43 1.04 -0.04 -0.36 1.01 0.36 -1.32 120.40 119.66 1krh s VAL 241 Ca 0.64 -0.30 0.05 0.00 0.00 0.00 0.00 61.98 62.37 1krh s VAL 241 Cb -0.33 -1.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.99 1krh s VAL 241 CO 0.41 0.37 -0.19 -0.13 0.00 0.00 0.00 175.10 175.56 1krh s ARG 242 N 1.63 1.85 -0.07 2.72 0.52 -0.32 -2.49 118.95 122.79 1krh s ARG 242 Ca 0.03 -0.67 0.04 0.00 -0.52 0.00 0.00 55.73 54.62 1krh s ARG 242 Cb -0.13 -1.63 -0.01 0.00 0.52 0.00 0.00 34.95 33.70 1krh s ARG 242 CO -0.07 0.30 -0.20 -1.17 0.02 0.00 0.00 175.30 174.17 1krh s LEU 243 N -0.08 2.34 -0.26 2.53 2.96 -0.53 -0.15 118.68 125.49 1krh s LEU 243 Ca -0.02 -0.41 0.00 0.00 -0.22 0.00 0.00 54.13 53.48 1krh s LEU 243 Cb -0.11 -1.46 0.04 0.00 0.50 0.00 0.00 46.19 45.16 1krh s LEU 243 CO 0.02 0.24 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.52 1krh s VAL 244 N -0.13 2.56 -0.43 1.68 1.01 0.26 -0.68 120.40 124.67 1krh s VAL 244 Ca -0.03 -1.34 -0.10 0.00 0.00 0.00 0.00 61.98 60.51 1krh s VAL 244 Cb -0.14 -2.40 0.08 0.00 0.00 0.00 0.00 36.38 33.92 1krh s VAL 244 CO 0.04 0.07 0.28 0.12 0.00 0.00 0.00 175.10 175.61 1krh s PHE 245 N 1.22 3.32 -0.14 5.22 5.99 0.49 -1.10 117.98 132.97 1krh s PHE 245 Ca -0.04 -1.41 -0.05 0.00 0.00 0.00 0.00 56.93 55.43 1krh s PHE 245 Cb -0.18 -2.98 -0.04 0.00 0.00 0.00 0.00 43.02 39.82 1krh s PHE 245 CO -0.05 -0.83 0.04 0.20 -0.00 0.00 0.00 175.22 174.58 1krh s GLY 246 N 2.18 1.90 0.15 13.12 0.00 0.61 -0.58 107.32 124.70 1krh s GLY 246 Ca 0.03 -0.76 0.03 0.00 0.00 0.00 0.00 44.72 44.02 1krh s GLY 246 CO 0.03 -0.21 -0.05 -1.34 0.00 0.00 0.00 173.10 171.53 1krh s VAL 247 N -0.20 0.88 0.08 1.40 -7.23 -0.01 -0.65 120.40 114.67 1krh s VAL 247 Ca 0.07 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.09 1krh s VAL 247 Cb -0.12 -1.95 -0.22 0.00 0.56 0.00 0.00 36.38 34.65 1krh s VAL 247 CO 0.02 -0.65 1.21 0.74 -0.31 0.00 0.00 175.10 176.11 1krh h THR 248 N 2.77 1.29 -3.59 5.32 2.02 -1.95 -0.83 112.91 117.93 1krh h THR 248 Ca -0.36 -2.17 -0.06 0.00 0.77 0.00 0.00 66.41 64.59 1krh h THR 248 Cb 1.19 2.30 -0.11 0.00 -1.74 0.00 0.00 68.15 69.79 1krh h THR 248 CO 0.64 0.67 -0.15 0.00 0.37 0.00 0.00 175.52 177.05 1krh s GLN 249 N -3.41 1.25 0.42 6.66 -2.07 -1.26 -0.97 119.66 120.28 1krh s GLN 249 Ca -0.10 -1.01 0.16 0.00 -1.82 0.00 0.00 55.36 52.59 1krh s GLN 249 Cb 0.07 0.45 1.06 0.00 -1.09 0.00 0.00 33.01 33.49 1krh s GLN 249 CO 0.91 -0.50 1.90 -0.44 -1.32 0.00 0.00 175.29 175.84 1krh h ASP 250 N 2.38 0.40 0.26 12.60 3.32 -1.93 -0.98 116.42 132.48 1krh h ASP 250 Ca -0.30 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.78 1krh h ASP 250 Cb 1.24 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1krh h ASP 250 CO 0.43 0.19 0.00 0.00 -1.72 0.00 0.00 179.24 178.15 1krh n ASP 252 N -1.32 1.11 -4.73 0.00 8.00 -0.37 -4.53 116.55 114.70 1krh n ASP 252 Ca 0.05 -0.91 -0.42 0.00 0.71 0.00 0.00 54.79 54.23 1krh n ASP 252 Cb 0.10 0.54 -0.03 0.00 -0.02 0.00 0.00 41.12 41.71 1krh n ASP 252 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1krh s LEU 253 N -2.79 4.38 -0.01 0.64 1.43 -0.78 -4.93 118.68 116.63 1krh s LEU 253 Ca 0.14 2.57 -0.16 0.00 -1.03 0.00 0.00 54.13 55.65 1krh s LEU 253 Cb 0.17 -3.61 0.03 0.00 0.03 0.00 0.00 46.19 42.81 1krh s LEU 253 CO 0.70 -0.71 0.35 0.54 0.23 0.00 0.00 176.35 177.46 1krh s VAL 254 N 0.46 0.06 -1.40 -1.59 0.11 -1.26 -4.93 120.40 111.84 1krh s VAL 254 Ca 0.62 -0.46 0.00 0.00 -2.93 0.00 0.00 61.98 59.22 1krh s VAL 254 Cb -0.41 -0.71 0.00 0.00 -1.53 0.00 0.00 36.38 33.73 1krh s VAL 254 CO 0.38 -0.25 0.00 0.00 -3.33 0.00 0.00 175.10 171.90 1krh n ALA 255 N 1.11 -0.20 -0.04 1.54 0.00 -1.26 -4.91 120.51 116.75 1krh n ALA 255 Ca -0.21 0.21 -0.02 0.00 0.00 0.00 0.00 53.44 53.43 1krh n ALA 255 Cb 0.57 -1.53 0.25 0.00 0.00 0.00 0.00 19.45 18.74 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 0.58 -0.47 0.00 3.38 -1.98 -0.52 115.31 116.30 1krh h LEU 256 Ca -0.27 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.52 1krh h LEU 256 Cb 0.91 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 1krh h LEU 256 CO 0.40 0.65 0.05 -0.33 0.09 0.00 0.00 178.44 179.30 1krh h GLU 257 N 0.59 0.79 -0.46 1.13 3.07 -1.98 0.21 114.58 117.92 1krh h GLU 257 Ca 0.12 -0.22 -0.03 0.00 -0.50 0.00 0.00 59.36 58.73 1krh h GLU 257 Cb 0.37 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.17 1krh h GLU 257 CO 0.01 0.81 0.18 0.37 -1.40 0.00 0.00 179.01 178.99 1krh h GLN 258 N 0.65 0.69 -0.22 2.33 4.15 -1.87 -1.03 115.11 119.80 1krh h GLN 258 Ca 0.14 -0.13 -0.17 0.00 0.77 0.00 0.00 58.65 59.26 1krh h GLN 258 Cb 0.42 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 28.00 1krh h GLN 258 CO 0.01 0.63 -0.56 -0.07 -1.93 0.00 0.00 178.83 176.92 1krh h LEU 259 N 0.61 0.77 -0.79 -2.39 3.38 -0.94 -2.55 115.31 113.40 1krh h LEU 259 Ca 0.15 -0.42 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 1krh h LEU 259 Cb 0.20 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1krh h LEU 259 CO -0.01 1.17 0.33 0.44 0.09 0.00 0.00 178.44 180.46 1krh h ASP 260 N 0.53 1.08 -0.77 -0.43 3.32 -0.42 -1.69 116.42 118.03 1krh h ASP 260 Ca 0.01 -0.17 -0.03 0.00 0.02 0.00 0.00 57.03 56.86 1krh h ASP 260 Cb 1.13 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 40.37 1krh h ASP 260 CO 0.11 0.95 0.36 0.00 -1.72 0.00 0.00 179.24 178.94 1krh h ALA 261 N 1.17 1.16 -0.36 3.45 0.00 -1.09 -1.37 119.26 122.22 1krh h ALA 261 Ca 0.26 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1krh h ALA 261 Cb 0.20 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1krh h ALA 261 CO -0.02 0.63 0.07 -0.07 0.00 0.00 0.00 179.25 179.85 1krh h LEU 262 N 1.12 0.57 -0.98 0.00 3.38 -1.01 -1.81 115.31 116.58 1krh h LEU 262 Ca 0.27 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 1krh h LEU 262 Cb 0.13 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1krh h LEU 262 CO -0.03 0.67 -0.07 -0.61 0.09 0.00 0.00 178.44 178.49 1krh h GLN 263 N 0.44 0.66 -0.16 1.13 4.15 -1.05 0.18 115.11 120.47 1krh h GLN 263 Ca 0.11 -0.19 -0.17 0.00 0.77 0.00 0.00 58.65 59.17 1krh h GLN 263 Cb 0.34 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 27.96 1krh h GLN 263 CO 0.01 0.73 -0.62 0.37 -1.93 0.00 0.00 178.83 177.39 1krh h GLN 264 N 0.61 0.55 0.10 1.69 4.15 -1.14 -3.33 115.11 117.74 1krh h GLN 264 Ca 0.12 -0.38 -0.30 0.00 0.77 0.00 0.00 58.65 58.86 1krh h GLN 264 Cb 0.49 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.22 1krh h GLN 264 CO 0.03 1.00 -1.50 -0.22 -1.93 0.00 0.00 178.83 176.20 1krh h LYS 265 N 0.40 0.21 -4.76 1.69 3.64 -1.10 -3.45 116.57 113.20 1krh h LYS 265 Ca -0.01 -0.37 -0.67 0.00 -1.27 0.00 0.00 60.65 58.33 1krh h LYS 265 Cb 1.18 0.14 -0.21 0.00 -0.41 0.00 0.00 32.23 32.92 1krh h LYS 265 CO 0.12 1.07 -0.53 -0.51 -2.27 0.00 0.00 179.45 177.32 1krh s LEU 266 N -6.90 4.23 0.45 5.20 1.43 0.60 -4.97 118.68 118.71 1krh s LEU 266 Ca -0.08 -0.48 0.11 0.00 -1.03 0.00 0.00 54.13 52.65 1krh s LEU 266 Cb 0.07 -2.04 1.02 0.00 0.03 0.00 0.00 46.19 45.26 1krh s LEU 266 CO 0.85 -0.20 2.06 -0.65 0.23 0.00 0.00 176.35 178.64 1krh h PRO 267 N 8.39 0.36 -0.00 1.29 0.11 -1.87 -2.46 132.00 137.82 1krh h PRO 267 Ca -0.32 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1krh h PRO 267 Cb 1.15 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1krh h PRO 267 CO 0.62 0.24 -0.10 -2.67 -0.21 0.00 0.00 178.00 175.88 1krh n TRP 268 N -4.49 0.00 -4.71 0.65 4.27 -1.26 -4.87 117.44 107.03 1krh n TRP 268 Ca 0.03 0.00 -0.33 0.00 -3.89 0.00 0.00 57.50 53.31 1krh n TRP 268 Cb 0.15 -0.17 -0.12 0.00 -1.36 0.00 0.00 31.31 29.81 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 -2.44 2.83 -0.05 -2.67 5.36 -0.93 -0.49 117.98 119.59 1krh s PHE 269 Ca 0.30 -0.06 -0.21 0.00 -0.96 0.00 0.00 56.93 56.00 1krh s PHE 269 Cb 0.20 -1.66 0.04 0.00 -0.34 0.00 0.00 43.02 41.26 1krh s PHE 269 CO 0.47 0.28 0.47 -1.83 -1.46 0.00 0.00 175.22 173.14 1krh s GLU 270 N -0.87 0.80 0.06 10.12 -1.05 -1.04 -4.57 118.70 122.15 1krh s GLU 270 Ca 0.13 0.09 -0.07 0.00 -0.15 0.00 0.00 54.97 54.96 1krh s GLU 270 Cb -0.11 0.37 -0.01 0.00 -0.44 0.00 0.00 34.13 33.94 1krh s GLU 270 CO 0.02 -0.22 0.14 1.52 0.95 0.00 0.00 175.26 177.67 1krh s TYR 271 N -1.06 0.19 -0.02 4.83 -0.85 -1.26 -1.45 117.35 117.73 1krh s TYR 271 Ca -0.11 -0.56 0.02 0.00 -0.52 0.00 0.00 57.07 55.90 1krh s TYR 271 Cb -0.03 -0.11 0.00 0.00 0.38 0.00 0.00 41.96 42.20 1krh s TYR 271 CO 0.06 -0.46 -0.06 1.03 -1.52 0.00 0.00 175.55 174.59 1krh s ARG 272 N -3.33 0.66 0.00 -3.49 0.52 0.15 -4.95 118.95 108.51 1krh s ARG 272 Ca 0.01 -0.22 -0.02 0.00 -0.52 0.00 0.00 55.73 54.99 1krh s ARG 272 Cb 0.03 -0.65 -0.04 0.00 0.52 0.00 0.00 34.95 34.81 1krh s ARG 272 CO -0.08 0.09 0.16 0.95 0.02 0.00 0.00 175.30 176.44 1krh s THR 273 N 0.14 5.25 -0.05 0.02 -4.23 -1.26 -0.38 115.64 115.12 1krh s THR 273 Ca -0.01 -0.25 0.00 0.00 -1.18 0.00 0.00 61.69 60.24 1krh s THR 273 Cb -0.06 -3.46 0.03 0.00 1.34 0.00 0.00 72.50 70.35 1krh s THR 273 CO -0.00 0.31 -0.02 -0.69 -0.54 0.00 0.00 174.62 173.68 1krh s VAL 274 N -1.32 0.39 -0.18 2.29 1.01 0.25 -3.99 120.40 118.85 1krh s VAL 274 Ca 0.27 0.02 -0.02 0.00 0.00 0.00 0.00 61.98 62.25 1krh s VAL 274 Cb -0.12 -0.48 -0.01 0.00 0.00 0.00 0.00 36.38 35.77 1krh s VAL 274 CO 0.19 0.22 -0.10 -0.69 0.00 0.00 0.00 175.10 174.72 1krh s VAL 275 N 1.31 3.09 0.19 2.92 1.01 -0.41 -0.83 120.40 127.69 1krh s VAL 275 Ca -0.05 -0.61 -0.11 0.00 0.00 0.00 0.00 61.98 61.21 1krh s VAL 275 Cb -0.13 -2.36 0.10 0.00 0.00 0.00 0.00 36.38 33.99 1krh s VAL 275 CO -0.02 0.48 1.78 0.00 0.00 0.00 0.00 175.10 177.34 1krh h ALA 276 N 7.52 0.84 -2.35 5.51 0.00 -0.92 -1.74 119.26 128.12 1krh h ALA 276 Ca -0.36 -0.13 -0.59 0.00 0.00 0.00 0.00 54.91 53.83 1krh h ALA 276 Cb 1.18 -0.26 -0.40 0.00 0.00 0.00 0.00 17.79 18.31 1krh h ALA 276 CO 0.59 0.39 -0.84 0.72 0.00 0.00 0.00 179.25 180.11 1krh n HIS 277 N -4.49 1.23 -2.36 0.00 8.25 -0.14 -4.27 115.22 113.44 1krh n HIS 277 Ca 0.05 -3.80 -0.39 0.00 -0.26 0.00 0.00 57.72 53.32 1krh n HIS 277 Cb 0.12 -0.31 -0.03 0.00 1.12 0.00 0.00 29.99 30.89 1krh n HIS 277 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1krh s ALA 278 N -1.28 3.28 -0.52 -1.41 0.00 -1.25 -4.51 121.76 116.08 1krh s ALA 278 Ca 0.34 0.95 0.05 0.00 0.00 0.00 0.00 51.96 53.30 1krh s ALA 278 Cb 0.09 -3.36 0.02 0.00 0.00 0.00 0.00 23.12 19.87 1krh s ALA 278 CO -0.12 -0.38 0.54 0.39 0.00 0.00 0.00 175.76 176.19 1krh n GLU 279 N 0.55 1.22 -4.01 0.00 -0.58 -1.26 -5.00 120.64 111.56 1krh n GLU 279 Ca 0.02 -0.59 -0.27 0.00 -0.42 0.00 0.00 57.16 55.89 1krh n GLU 279 Cb 0.46 -1.00 -0.05 0.00 -0.57 0.00 0.00 31.44 30.29 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 -0.68 5.93 0.00 1.62 0.15 -1.26 -5.04 113.70 114.42 1krh s SER 280 Ca 0.05 0.05 0.26 0.00 0.70 0.00 0.00 55.95 57.00 1krh s SER 280 Cb 0.04 -1.69 0.57 0.00 -1.71 0.00 0.00 66.02 63.23 1krh s SER 280 CO 0.09 0.09 1.47 0.00 1.20 0.00 0.00 173.24 176.09 1krh n GLN 281 N -0.22 1.72 -2.40 5.44 10.64 -1.26 -4.45 117.38 126.85 1krh n GLN 281 Ca -0.07 -1.24 -0.23 0.00 -1.83 0.00 0.00 57.00 53.63 1krh n GLN 281 Cb 0.53 -1.47 0.01 0.00 -0.86 0.00 0.00 30.24 28.45 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 0.44 2.89 -3.73 2.61 8.25 -1.26 -5.03 115.22 119.40 1krh n HIS 282 Ca 0.15 -2.81 -0.13 0.00 -0.26 0.00 0.00 57.72 54.67 1krh n HIS 282 Cb 0.45 -0.19 -0.10 0.00 1.12 0.00 0.00 29.99 31.28 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 -3.52 0.50 0.39 -0.41 -1.05 -1.26 -5.14 118.70 108.21 1krh s GLU 283 Ca 0.45 0.60 -0.26 0.00 -0.15 0.00 0.00 54.97 55.61 1krh s GLU 283 Cb 0.41 0.24 -0.11 0.00 -0.44 0.00 0.00 34.13 34.22 1krh s GLU 283 CO -0.10 -0.06 1.26 0.54 0.95 0.00 0.00 175.26 177.85 1krh n ARG 284 N 2.88 1.97 -4.41 -4.83 1.74 -1.26 -4.86 116.66 107.89 1krh n ARG 284 Ca -0.13 0.70 -0.32 0.00 -0.77 0.00 0.00 57.85 57.32 1krh n ARG 284 Cb 0.57 -2.33 -0.10 0.00 -1.02 0.00 0.00 32.46 29.58 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 -2.05 2.63 0.00 5.56 1.02 -1.26 -1.28 119.74 124.36 1krh s LYS 285 Ca 0.59 -0.68 0.00 0.00 0.02 0.00 0.00 55.97 55.90 1krh s LYS 285 Cb -0.54 -2.56 0.00 0.00 -0.52 0.00 0.00 37.83 34.22 1krh s LYS 285 CO 0.60 0.61 0.00 0.41 -0.92 0.00 0.00 175.35 176.05 1krh n GLY 286 N 1.55 0.33 3.47 -3.33 0.00 -0.65 -4.84 105.19 101.71 1krh n GLY 286 Ca -0.15 -1.84 -0.23 0.00 0.00 0.00 0.00 46.02 43.80 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 -1.25 2.09 0.16 1.61 1.51 -1.26 -2.68 117.35 117.52 1krh s TYR 287 Ca 0.00 -0.65 -0.17 0.00 -1.01 0.00 0.00 57.07 55.24 1krh s TYR 287 Cb 0.00 -1.21 0.07 0.00 -0.11 0.00 0.00 41.96 40.72 1krh s TYR 287 CO 0.00 0.36 1.68 0.28 -1.11 0.00 0.00 175.55 176.77 1krh h VAL 288 N 2.19 0.67 -0.96 0.71 2.07 -1.95 -2.37 116.25 116.61 1krh h VAL 288 Ca -0.41 -0.01 0.13 0.00 0.82 0.00 0.00 66.70 67.24 1krh h VAL 288 Cb 1.24 0.64 -0.08 0.00 -1.52 0.00 0.00 31.29 31.57 1krh h VAL 288 CO 0.68 0.00 0.61 0.71 0.02 0.00 0.00 177.57 179.60 1krh h THR 289 N 0.03 0.87 0.00 2.57 1.35 -1.98 -0.44 112.91 115.31 1krh h THR 289 Ca 0.17 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 1krh h THR 289 Cb 0.26 -0.06 0.00 0.00 -1.73 0.00 0.00 68.15 66.62 1krh h THR 289 CO -0.35 0.16 0.00 0.61 -0.25 0.00 0.00 175.52 175.69 1krh n GLY 290 N -1.38 -0.99 0.39 5.82 0.00 -0.90 -3.44 105.19 104.70 1krh n GLY 290 Ca 0.19 -0.12 0.07 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.22 0.00 -3.28 1.61 8.25 -0.18 -4.94 115.22 115.46 1krh n HIS 291 Ca 0.13 -1.07 -0.44 0.00 -0.26 0.00 0.00 57.72 56.08 1krh n HIS 291 Cb 0.16 -0.18 -0.07 0.00 1.12 0.00 0.00 29.99 31.02 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 -2.59 5.07 0.28 1.59 1.01 -1.19 -5.01 121.20 120.36 1krh s ILE 292 Ca 0.32 -0.76 -0.30 0.00 0.00 0.00 0.00 60.65 59.91 1krh s ILE 292 Cb 0.30 -4.20 -0.11 0.00 0.01 0.00 0.00 42.46 38.46 1krh s ILE 292 CO -0.02 -0.67 1.53 -0.70 0.00 0.00 0.00 174.94 175.08 1krh s GLU 293 N 2.11 4.18 0.19 2.79 2.12 -1.26 -4.91 118.70 123.92 1krh s GLU 293 Ca 0.09 2.47 -0.16 0.00 0.36 0.00 0.00 54.97 57.74 1krh s GLU 293 Cb -0.21 -3.05 0.17 0.00 0.26 0.00 0.00 34.13 31.30 1krh s GLU 293 CO 0.09 -0.54 1.63 -0.92 -0.54 0.00 0.00 175.26 174.98 1krh h TYR 294 N 4.78 -0.39 0.00 5.30 3.20 -2.01 -0.42 116.97 127.44 1krh h TYR 294 Ca -0.47 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.45 1krh h TYR 294 Cb 1.22 0.25 0.00 0.00 1.54 0.00 0.00 36.73 39.74 1krh h TYR 294 CO 0.59 -0.26 0.00 0.38 -1.64 0.00 0.00 178.16 177.22 1krh h ASP 295 N -0.04 0.00 0.69 -2.11 3.04 -2.01 -1.89 116.42 114.09 1krh h ASP 295 Ca 0.25 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.04 1krh h ASP 295 Cb 0.43 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.72 1krh h ASP 295 CO -0.57 0.00 0.00 -0.50 -2.04 0.00 0.00 179.24 176.13 1krh h TRP 296 N 0.00 0.00 -0.00 4.15 4.06 -1.43 -1.08 115.95 121.65 1krh h TRP 296 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1krh h TRP 296 Cb 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.42 1krh h TRP 296 CO 0.00 0.00 -0.45 1.28 -3.56 0.00 0.00 178.44 175.71 1krh n LEU 297 N -2.40 0.68 -4.26 -4.49 4.77 -0.71 -4.78 117.00 105.80 1krh n LEU 297 Ca 0.01 -0.10 -0.31 0.00 -0.03 0.00 0.00 56.01 55.58 1krh n LEU 297 Cb 0.22 -0.20 -0.08 0.00 -2.33 0.00 0.00 43.42 41.03 1krh n LEU 297 CO 0.20 0.15 -0.37 -3.20 -1.33 0.00 0.00 177.39 172.84 1krh n ASN 298 N -1.25 0.18 -1.80 -1.43 5.15 -0.41 -0.33 115.26 115.38 1krh n ASN 298 Ca 0.07 -1.20 -0.17 0.00 -0.60 0.00 0.00 54.58 52.68 1krh n ASN 298 Cb 0.34 -1.97 -0.05 0.00 -0.53 0.00 0.00 39.78 37.57 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 -2.24 0.92 0.00 8.20 0.00 -1.26 -1.09 105.19 109.72 1krh n GLY 299 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.51 3.30 2.75 -0.02 0.00 0.55 -4.97 105.19 106.30 1krh n GLY 300 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.67 2.77 -3.59 1.61 -0.58 -0.25 -1.81 120.64 117.11 1krh n GLU 301 Ca 0.00 -2.55 -0.14 0.00 -0.42 0.00 0.00 57.16 54.05 1krh n GLU 301 Cb 0.00 -3.26 -0.06 0.00 -0.57 0.00 0.00 31.44 27.55 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 3.31 0.03 -0.22 2.62 0.11 -1.26 -4.14 120.40 120.85 1krh s VAL 302 Ca 0.48 -0.25 -0.04 0.00 -2.93 0.00 0.00 61.98 59.24 1krh s VAL 302 Cb 0.14 -0.95 -0.01 0.00 -1.53 0.00 0.00 36.38 34.03 1krh s VAL 302 CO -0.08 -0.14 -0.02 -1.81 -3.33 0.00 0.00 175.10 169.73 1krh s ASP 303 N -1.81 4.53 -0.18 3.54 -0.00 -0.28 -1.37 116.67 121.09 1krh s ASP 303 Ca -0.07 -0.32 -0.06 0.00 -0.00 0.00 0.00 52.55 52.10 1krh s ASP 303 Cb -0.01 -1.78 -0.03 0.00 -0.00 0.00 0.00 42.92 41.10 1krh s ASP 303 CO 0.00 0.00 0.02 -0.69 -0.00 0.00 0.00 175.17 174.50 1krh s VAL 304 N 1.36 4.28 -0.12 -1.27 1.01 -0.18 -0.78 120.40 124.70 1krh s VAL 304 Ca 0.04 -0.21 0.03 0.00 0.00 0.00 0.00 61.98 61.85 1krh s VAL 304 Cb -0.14 -2.92 0.00 0.00 0.00 0.00 0.00 36.38 33.32 1krh s VAL 304 CO -0.01 0.45 -0.23 -0.31 0.00 0.00 0.00 175.10 175.01 1krh s TYR 305 N 0.61 2.62 -0.05 5.22 1.51 0.13 -0.70 117.35 126.69 1krh s TYR 305 Ca 0.01 -1.19 0.02 0.00 -1.01 0.00 0.00 57.07 54.90 1krh s TYR 305 Cb -0.14 -1.77 0.01 0.00 -0.11 0.00 0.00 41.96 39.96 1krh s TYR 305 CO 0.02 -0.51 -0.10 -1.17 -1.11 0.00 0.00 175.55 172.67 1krh s LEU 306 N 0.58 1.62 -0.14 -1.29 2.96 0.03 0.14 118.68 122.58 1krh s LEU 306 Ca -0.13 -0.25 -0.12 0.00 -0.22 0.00 0.00 54.13 53.42 1krh s LEU 306 Cb -0.17 -0.71 0.04 0.00 0.50 0.00 0.00 46.19 45.85 1krh s LEU 306 CO 0.03 0.03 0.36 0.00 -1.32 0.00 0.00 176.35 175.46 1krh n GLY 308 N 3.21 -1.25 3.70 0.00 0.00 -1.14 -1.21 105.19 108.48 1krh n GLY 308 Ca -0.16 -0.98 -0.31 0.00 0.00 0.00 0.00 46.02 44.57 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 -0.89 1.35 0.17 1.61 0.02 -1.26 -0.87 135.00 135.11 1krh s PRO 309 Ca 0.00 1.50 -0.17 0.00 0.02 0.00 0.00 61.00 62.35 1krh s PRO 309 Cb 0.00 -1.77 0.10 0.00 0.02 0.00 0.00 34.50 32.85 1krh s PRO 309 CO 0.00 -2.38 1.67 0.28 -0.33 0.00 0.00 177.00 176.24 1krh h VAL 310 N -1.60 0.61 -0.63 3.83 2.07 -1.92 -1.77 116.25 116.84 1krh h VAL 310 Ca -0.43 -0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.12 1krh h VAL 310 Cb 1.26 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 31.58 1krh h VAL 310 CO 0.44 0.00 0.37 -0.65 0.02 0.00 0.00 177.57 177.75 1krh h PRO 311 N 0.01 0.68 -0.53 1.57 0.11 -1.95 -0.72 132.00 131.17 1krh h PRO 311 Ca 0.20 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.22 1krh h PRO 311 Cb 0.30 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.23 1krh h PRO 311 CO -0.41 0.45 0.17 1.98 -0.21 0.00 0.00 178.00 179.98 1krh h MET 312 N 0.70 0.82 -0.34 1.05 1.85 -1.85 -0.80 114.93 116.36 1krh h MET 312 Ca 0.27 -0.18 -0.02 0.00 -0.61 0.00 0.00 59.70 59.16 1krh h MET 312 Cb 0.09 -0.12 -0.01 0.00 0.43 0.00 0.00 31.60 31.99 1krh h MET 312 CO -0.14 0.76 0.12 0.28 -0.40 0.00 0.00 176.91 177.53 1krh h VAL 313 N 0.73 1.19 -0.25 -5.77 2.07 -0.89 -1.61 116.25 111.73 1krh h VAL 313 Ca 0.17 -0.61 -0.08 0.00 0.82 0.00 0.00 66.70 67.00 1krh h VAL 313 Cb 0.28 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1krh h VAL 313 CO -0.01 0.21 -0.18 -0.33 0.02 0.00 0.00 177.57 177.29 1krh h GLU 314 N 0.40 0.43 -0.42 1.57 4.39 -1.02 -0.96 114.58 118.97 1krh h GLU 314 Ca 0.11 -0.13 -0.04 0.00 0.34 0.00 0.00 59.36 59.64 1krh h GLU 314 Cb 0.21 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 1krh h GLU 314 CO -0.01 0.60 0.11 0.00 -1.16 0.00 0.00 179.01 178.55 1krh h ALA 315 N 1.42 0.55 -0.64 3.43 0.00 -0.83 -0.16 119.26 123.04 1krh h ALA 315 Ca 0.07 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1krh h ALA 315 Cb 0.54 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1krh h ALA 315 CO 0.04 0.22 0.04 0.28 0.00 0.00 0.00 179.25 179.82 1krh h VAL 316 N 0.54 1.27 -0.64 0.00 2.07 -1.02 -1.53 116.25 116.93 1krh h VAL 316 Ca 0.13 -1.12 -0.04 0.00 0.82 0.00 0.00 66.70 66.49 1krh h VAL 316 Cb 0.29 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1krh h VAL 316 CO -0.00 0.41 0.24 0.03 0.02 0.00 0.00 177.57 178.27 1krh h ARG 317 N 1.01 0.97 -0.58 1.57 3.08 -0.87 0.22 114.38 119.78 1krh h ARG 317 Ca 0.19 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1krh h ARG 317 Cb 0.52 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.39 1krh h ARG 317 CO 0.02 0.83 0.30 1.03 -1.07 0.00 0.00 179.97 181.08 1krh h SER 318 N 0.91 0.74 -0.28 7.04 0.87 -0.84 -1.30 113.55 120.68 1krh h SER 318 Ca 0.21 -0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1krh h SER 318 Cb 0.23 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 1krh h SER 318 CO -0.01 0.63 0.17 -0.25 -0.53 0.00 0.00 176.83 176.84 1krh h TRP 319 N 0.78 0.37 -0.53 2.24 7.01 -0.85 0.80 115.95 125.77 1krh h TRP 319 Ca 0.20 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.23 1krh h TRP 319 Cb 0.07 -0.12 -0.04 0.00 -2.10 0.00 0.00 29.16 26.97 1krh h TRP 319 CO -0.01 0.27 0.30 -0.07 -2.79 0.00 0.00 178.44 176.15 1krh h LEU 320 N 0.35 0.48 -0.12 0.65 3.38 -0.68 -0.25 115.31 119.13 1krh h LEU 320 Ca 0.10 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1krh h LEU 320 Cb 0.01 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1krh h LEU 320 CO -0.02 0.33 0.04 -0.78 0.09 0.00 0.00 178.44 178.10 1krh h ASP 321 N 0.60 0.17 -0.16 -0.43 3.58 -0.89 -0.62 116.42 118.66 1krh h ASP 321 Ca 0.22 -0.19 -0.05 0.00 0.42 0.00 0.00 57.03 57.43 1krh h ASP 321 Cb 0.06 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.05 1krh h ASP 321 CO -0.12 0.31 -0.03 0.74 -2.88 0.00 0.00 179.24 177.27 1krh h THR 322 N 0.01 1.19 0.00 2.25 2.02 -0.63 -1.94 112.91 115.81 1krh h THR 322 Ca 0.04 -0.77 0.00 0.00 0.77 0.00 0.00 66.41 66.45 1krh h THR 322 Cb 0.20 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1krh h THR 322 CO -0.00 0.26 0.00 1.56 0.37 0.00 0.00 175.52 177.70 1krh h GLN 323 N 0.42 0.00 -0.32 6.66 1.08 -0.94 -3.47 115.11 118.54 1krh h GLN 323 Ca 0.09 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.24 1krh h GLN 323 Cb 0.33 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.76 1krh h GLN 323 CO 0.01 0.00 -0.06 0.41 -0.95 0.00 0.00 178.83 178.24 1krh n GLY 324 N 0.93 0.31 3.60 3.46 0.00 -0.73 -5.01 105.19 107.76 1krh n GLY 324 Ca 0.04 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.12 4.77 -0.41 -0.61 1.01 -0.31 -5.01 121.20 118.53 1krh s ILE 325 Ca 0.00 1.07 0.04 0.00 0.00 0.00 0.00 60.65 61.75 1krh s ILE 325 Cb 0.00 -4.17 0.11 0.00 0.01 0.00 0.00 42.46 38.42 1krh s ILE 325 CO 0.00 -0.31 0.14 -1.10 0.00 0.00 0.00 174.94 173.67 1krh s GLN 326 N 3.00 1.61 0.76 2.79 -0.21 -1.26 -4.64 119.66 121.71 1krh s GLN 326 Ca 0.32 -2.12 -0.11 0.00 0.02 0.00 0.00 55.36 53.47 1krh s GLN 326 Cb -0.14 -3.12 0.05 0.00 1.00 0.00 0.00 33.01 30.80 1krh s GLN 326 CO 0.14 -1.02 1.10 -2.14 -2.12 0.00 0.00 175.29 171.25 1krh s PRO 327 N 0.47 2.28 0.22 2.91 0.02 -1.26 -4.71 135.00 134.92 1krh s PRO 327 Ca 0.14 1.26 -0.09 0.00 0.02 0.00 0.00 61.00 62.32 1krh s PRO 327 Cb -0.22 -1.89 0.19 0.00 0.02 0.00 0.00 34.50 32.60 1krh s PRO 327 CO -0.06 -1.64 1.89 0.00 -0.33 0.00 0.00 177.00 176.87 1krh h ALA 328 N -0.92 1.03 -3.45 -1.55 0.00 -0.43 -3.42 119.26 110.52 1krh h ALA 328 Ca -0.44 -0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.21 1krh h ALA 328 Cb 1.24 -0.32 -0.27 0.00 0.00 0.00 0.00 17.79 18.44 1krh h ALA 328 CO 0.51 0.42 -0.59 -0.80 0.00 0.00 0.00 179.25 178.79 1krh s ASN 329 N -5.92 -0.11 -0.11 0.00 0.01 -1.21 -5.05 114.94 102.55 1krh s ASN 329 Ca -0.13 0.22 -0.01 0.00 -0.71 0.00 0.00 52.86 52.24 1krh s ASN 329 Cb 0.16 0.22 0.03 0.00 0.41 0.00 0.00 41.25 42.07 1krh s ASN 329 CO 0.79 -0.04 -0.04 0.12 -1.51 0.00 0.00 177.10 176.41 1krh s PHE 330 N 0.13 1.26 -0.02 2.20 5.36 -1.26 -1.01 117.98 124.63 1krh s PHE 330 Ca -0.01 -0.63 0.06 0.00 -0.96 0.00 0.00 56.93 55.40 1krh s PHE 330 Cb -0.01 -1.11 -0.01 0.00 -0.34 0.00 0.00 43.02 41.54 1krh s PHE 330 CO -0.00 -0.48 -0.21 -0.51 -1.46 0.00 0.00 175.22 172.56 1krh s LEU 331 N 1.78 2.03 0.09 6.12 1.43 0.12 -5.00 118.68 125.25 1krh s LEU 331 Ca 0.04 -0.39 -0.05 0.00 -1.03 0.00 0.00 54.13 52.70 1krh s LEU 331 Cb -0.13 -1.11 -0.02 0.00 0.03 0.00 0.00 46.19 44.96 1krh s LEU 331 CO -0.07 0.25 0.11 0.72 0.23 0.00 0.00 176.35 177.59 1krh s PHE 332 N -0.43 0.40 -0.08 0.29 -0.12 -1.26 -0.79 117.98 116.00 1krh s PHE 332 Ca 0.06 -0.86 -0.03 0.00 -0.05 0.00 0.00 56.93 56.05 1krh s PHE 332 Cb -0.09 -0.23 0.04 0.00 -0.63 0.00 0.00 43.02 42.12 1krh s PHE 332 CO -0.00 -0.51 0.17 -2.00 -0.05 0.00 0.00 175.22 172.83 1krh s GLU 333 N -3.92 0.09 -0.18 1.99 2.56 -0.24 -4.78 118.70 114.21 1krh s GLU 333 Ca 0.10 0.48 -0.09 0.00 0.00 0.00 0.00 54.97 55.46 1krh s GLU 333 Cb 0.06 -0.19 -0.05 0.00 2.00 0.00 0.00 34.13 35.95 1krh s GLU 333 CO -0.07 -0.22 0.12 0.15 -0.56 0.00 0.00 175.26 174.67 1krh s LYS 334 N 1.65 4.01 -1.23 4.30 1.02 -1.26 -2.90 119.74 125.33 1krh s LYS 334 Ca -0.04 -0.23 -0.14 0.00 0.02 0.00 0.00 55.97 55.57 1krh s LYS 334 Cb -0.12 -3.33 0.16 0.00 -0.52 0.00 0.00 37.83 34.02 1krh s LYS 334 CO -0.06 0.38 1.50 1.19 -0.92 0.00 0.00 175.35 177.43 1krh n PHE 335 N 3.26 4.82 -2.98 3.18 3.01 -0.05 -4.91 117.46 123.78 1krh n PHE 335 Ca -0.17 -3.27 -0.22 0.00 1.01 0.00 0.00 57.45 54.79 1krh n PHE 335 Cb 0.53 -2.23 0.01 0.00 -0.01 0.00 0.00 39.48 37.78 1krh n PHE 335 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1krh s SER 336 N 2.86 5.78 0.38 4.37 1.04 -1.26 -4.01 113.70 122.85 1krh s SER 336 Ca 0.44 0.21 -0.28 0.00 0.48 0.00 0.00 55.95 56.81 1krh s SER 336 Cb -0.01 -1.43 -0.10 0.00 0.10 0.00 0.00 66.02 64.57 1krh s SER 336 CO 0.01 -0.73 1.42 0.00 0.98 0.00 0.00 173.24 174.92 1krh s ALA 337 N -2.55 3.49 0.00 5.32 0.00 -1.26 -4.99 121.76 121.78 1krh s ALA 337 Ca 0.49 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.90 1krh s ALA 337 Cb -0.10 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.46 1krh s ALA 337 CO 0.37 -0.94 0.00 0.27 0.00 0.00 0.00 175.76 175.46