#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1krx n GLN 2 N 0.00 1.78 -0.60 0.03 7.27 -1.26 -4.80 117.38 119.80 1krx n GLN 2 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 57.00 57.01 1krx n GLN 2 Cb 0.00 -0.83 -0.09 0.00 2.41 0.00 0.00 30.24 31.72 1krx n GLN 2 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 1krx n ARG 3 N -1.17 1.20 -2.01 3.69 3.00 -1.26 -4.79 116.66 115.33 1krx n ARG 3 Ca 0.00 -0.53 -0.26 0.00 -0.00 0.00 0.00 57.85 57.05 1krx n ARG 3 Cb 0.00 -1.70 -0.07 0.00 0.00 0.00 0.00 32.46 30.69 1krx n ARG 3 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1krx s GLY 4 N 2.27 0.01 -0.23 5.14 0.00 -1.26 -4.42 107.32 108.83 1krx s GLY 4 Ca 0.36 -1.98 -0.02 0.00 0.00 0.00 0.00 44.72 43.07 1krx s GLY 4 CO 0.00 3.64 -0.07 -0.42 0.00 0.00 0.00 173.10 176.25 1krx s ILE 5 N 11.64 2.96 -0.22 0.90 -1.09 -1.26 -0.92 121.20 133.21 1krx s ILE 5 Ca 0.70 -0.80 -0.07 0.00 -2.23 0.00 0.00 60.65 58.26 1krx s ILE 5 Cb -0.02 -2.41 -0.03 0.00 -1.58 0.00 0.00 42.46 38.42 1krx s ILE 5 CO 0.12 0.34 0.05 0.54 -1.23 0.00 0.00 174.94 174.76 1krx s VAL 6 N 1.38 4.34 -0.02 2.92 0.11 0.25 0.61 120.40 130.00 1krx s VAL 6 Ca 0.03 -0.17 0.05 0.00 -2.93 0.00 0.00 61.98 58.96 1krx s VAL 6 Cb -0.15 -2.99 -0.03 0.00 -1.53 0.00 0.00 36.38 31.68 1krx s VAL 6 CO -0.05 0.39 -0.17 0.26 -3.33 0.00 0.00 175.10 172.20 1krx s TRP 7 N 1.12 2.60 -0.04 1.54 0.52 -1.08 -1.81 118.94 121.80 1krx s TRP 7 Ca 0.04 -0.23 0.03 0.00 0.02 0.00 0.00 56.10 55.96 1krx s TRP 7 Cb -0.14 -1.56 0.00 0.00 -1.15 0.00 0.00 33.47 30.62 1krx s TRP 7 CO 0.03 0.17 -0.13 0.08 0.02 0.00 0.00 176.95 177.11 1krx s VAL 8 N -0.77 1.15 -0.26 4.03 1.01 0.19 -0.49 120.40 125.25 1krx s VAL 8 Ca 0.12 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.56 1krx s VAL 8 Cb -0.10 -1.00 0.07 0.00 0.00 0.00 0.00 36.38 35.34 1krx s VAL 8 CO 0.02 0.34 -0.05 -0.69 0.00 0.00 0.00 175.10 174.72 1krx s VAL 9 N 0.14 1.79 0.00 2.92 1.01 0.20 -0.07 120.40 126.38 1krx s VAL 9 Ca -0.04 -1.51 0.00 0.00 0.00 0.00 0.00 61.98 60.43 1krx s VAL 9 Cb -0.10 -2.05 0.00 0.00 0.00 0.00 0.00 36.38 34.22 1krx s VAL 9 CO 0.01 -0.17 0.00 -0.67 0.00 0.00 0.00 175.10 174.27 1krx n ASP 10 N 4.55 0.04 0.00 3.32 2.03 -1.10 0.14 116.55 125.53 1krx n ASP 10 Ca -0.10 0.00 0.05 0.00 0.52 0.00 0.00 54.79 55.26 1krx n ASP 10 Cb 0.43 0.00 0.27 0.00 -0.72 0.00 0.00 41.12 41.10 1krx n ASP 10 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1krx n ASP 11 N 0.00 0.00 0.00 1.67 8.00 -1.26 -4.51 116.55 120.45 1krx n ASP 11 Ca 0.00 -0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.44 1krx n ASP 11 Cb 0.00 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 40.95 1krx n ASP 11 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1krx n ASP 12 N -1.15 0.00 0.00 -2.24 -0.08 -1.26 -4.67 116.55 107.15 1krx n ASP 12 Ca 0.06 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.34 1krx n ASP 12 Cb 0.06 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.52 1krx n ASP 12 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1krx n SER 13 N -0.70 0.00 0.05 1.67 2.88 -1.26 0.42 113.62 116.68 1krx n SER 13 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 1krx n SER 13 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1krx n SER 13 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1krx h SER 14 N 0.00 -0.47 0.03 -3.46 0.02 -2.00 0.34 113.55 108.01 1krx h SER 14 Ca 0.00 0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 60.98 1krx h SER 14 Cb 0.00 0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 1krx h SER 14 CO 0.00 -0.22 -0.11 0.40 -1.14 0.00 0.00 176.83 175.76 1krx h ILE 15 N -0.26 1.16 0.16 3.27 1.08 -0.36 -2.84 117.51 119.72 1krx h ILE 15 Ca 0.06 -0.69 -0.01 0.00 -0.39 0.00 0.00 64.86 63.83 1krx h ILE 15 Cb 0.33 1.19 0.00 0.00 -3.07 0.00 0.00 36.82 35.27 1krx h ILE 15 CO -0.17 0.21 -0.08 -0.09 -0.69 0.00 0.00 178.15 177.34 1krx h ARG 16 N 0.19 -0.21 -0.84 2.37 2.43 -1.25 -2.83 114.38 114.24 1krx h ARG 16 Ca 0.04 0.01 0.16 0.00 -0.81 0.00 0.00 59.98 59.38 1krx h ARG 16 Cb 0.33 0.05 -0.10 0.00 -0.42 0.00 0.00 29.97 29.82 1krx h ARG 16 CO 0.02 0.21 0.41 2.35 -1.51 0.00 0.00 179.97 181.45 1krx h TRP 17 N -0.87 0.70 0.42 2.20 7.01 -0.31 0.64 115.95 125.73 1krx h TRP 17 Ca -0.02 0.04 -0.02 0.00 2.11 0.00 0.00 58.89 60.99 1krx h TRP 17 Cb 0.52 -0.18 0.00 0.00 -2.10 0.00 0.00 29.16 27.40 1krx h TRP 17 CO 0.08 0.12 -0.20 0.28 -2.79 0.00 0.00 178.44 175.93 1krx h VAL 18 N 0.55 0.00 0.00 2.65 2.07 -1.60 -3.15 116.25 116.78 1krx h VAL 18 Ca 0.47 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.70 1krx h VAL 18 Cb 0.72 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1krx h VAL 18 CO -0.40 0.00 -0.06 -0.07 0.02 0.00 0.00 177.57 177.06 1krx h LEU 19 N -0.84 0.00 0.44 2.57 3.38 -1.37 -1.05 115.31 118.44 1krx h LEU 19 Ca -0.06 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1krx h LEU 19 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1krx h LEU 19 CO 0.09 0.06 -0.21 1.05 0.09 0.00 0.00 178.44 179.52 1krx h GLU 20 N 0.00 -0.57 0.04 1.13 4.11 0.22 -2.76 114.58 116.75 1krx h GLU 20 Ca -0.00 0.04 -0.09 0.00 0.07 0.00 0.00 59.36 59.38 1krx h GLU 20 Cb 0.34 0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.73 1krx h GLU 20 CO 0.01 -0.26 -0.36 0.00 0.07 0.00 0.00 179.01 178.47 1krx h ARG 21 N -0.97 0.18 0.54 1.06 2.47 -1.52 -2.60 114.38 113.53 1krx h ARG 21 Ca -0.06 -0.24 -0.02 0.00 -1.26 0.00 0.00 59.98 58.40 1krx h ARG 21 Cb 0.57 0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.95 1krx h ARG 21 CO 0.10 1.03 -0.42 0.00 0.56 0.00 0.00 179.97 181.25 1krx h ALA 22 N 0.16 -0.98 0.00 0.04 0.00 -1.35 -1.02 119.26 116.11 1krx h ALA 22 Ca -0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1krx h ALA 22 Cb 1.19 0.56 -0.00 0.00 0.00 0.00 0.00 17.79 19.53 1krx h ALA 22 CO 0.07 -1.08 -0.06 -0.07 0.00 0.00 0.00 179.25 178.11 1krx h LEU 23 N -0.93 0.00 -1.51 0.00 3.38 -1.66 0.55 115.31 115.14 1krx h LEU 23 Ca -0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1krx h LEU 23 Cb 0.79 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 1krx h LEU 23 CO 0.00 0.06 0.21 0.00 0.09 0.00 0.00 178.44 178.80 1krx h ALA 24 N 1.94 1.62 0.00 1.53 0.00 -0.91 0.55 119.26 123.99 1krx h ALA 24 Ca -0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1krx h ALA 24 Cb 0.11 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1krx h ALA 24 CO 0.01 0.31 -0.19 0.78 0.00 0.00 0.00 179.25 180.16 1krx h GLY 25 N 0.63 0.00 2.00 0.00 0.00 0.37 -1.80 103.07 104.27 1krx h GLY 25 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1krx h GLY 25 CO -0.02 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.52 1krx h ALA 26 N 1.81 1.00 0.00 3.60 0.00 -0.79 -3.47 119.26 121.41 1krx h ALA 26 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1krx h ALA 26 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1krx h ALA 26 CO 0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.68 1krx n GLY 27 N 0.88 1.58 3.50 0.00 0.00 -0.67 -5.12 105.19 105.36 1krx n GLY 27 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 1krx n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1krx s LEU 28 N 0.00 2.33 -0.43 0.99 1.02 -1.17 -4.81 118.68 116.62 1krx s LEU 28 Ca 0.00 -1.39 -0.12 0.00 0.02 0.00 0.00 54.13 52.64 1krx s LEU 28 Cb 0.00 -0.49 0.06 0.00 0.02 0.00 0.00 46.19 45.78 1krx s LEU 28 CO 0.00 -0.59 0.30 -0.89 0.02 0.00 0.00 176.35 175.19 1krx s THR 29 N -3.16 4.67 -0.35 5.49 2.01 -0.10 -3.99 115.64 120.22 1krx s THR 29 Ca 0.35 -1.16 -0.11 0.00 0.31 0.00 0.00 61.69 61.09 1krx s THR 29 Cb 0.09 -3.78 0.01 0.00 0.01 0.00 0.00 72.50 68.83 1krx s THR 29 CO 0.16 -0.47 0.19 0.00 -0.69 0.00 0.00 174.62 173.80 1krx s THR 31 N 1.58 2.09 0.17 0.00 -1.32 -0.75 -4.39 115.64 113.03 1krx s THR 31 Ca 0.03 -2.10 0.07 0.00 -1.21 0.00 0.00 61.69 58.49 1krx s THR 31 Cb -0.18 -2.04 -0.04 0.00 -1.51 0.00 0.00 72.50 68.72 1krx s THR 31 CO 0.07 -0.32 -0.15 0.42 -2.21 0.00 0.00 174.62 172.43 1krx s THR 32 N -2.18 1.63 0.26 5.08 -4.23 -1.25 0.54 115.64 115.49 1krx s THR 32 Ca 0.21 -2.04 0.01 0.00 -1.18 0.00 0.00 61.69 58.70 1krx s THR 32 Cb -0.05 -1.88 -0.04 0.00 1.34 0.00 0.00 72.50 71.86 1krx s THR 32 CO 0.09 -0.51 0.12 -0.36 -0.54 0.00 0.00 174.62 173.43 1krx s PHE 33 N -2.63 1.49 0.05 3.99 0.40 0.90 -4.92 117.98 117.25 1krx s PHE 33 Ca 0.18 -1.28 -0.24 0.00 -0.60 0.00 0.00 56.93 54.99 1krx s PHE 33 Cb -0.02 -0.82 -0.16 0.00 0.51 0.00 0.00 43.02 42.52 1krx s PHE 33 CO 0.05 -0.46 1.54 1.05 0.70 0.00 0.00 175.22 178.11 1krx h GLU 34 N 2.37 0.04 -2.72 0.44 4.11 -1.89 -2.91 114.58 114.01 1krx h GLU 34 Ca -0.36 -0.01 0.09 0.00 0.07 0.00 0.00 59.36 59.15 1krx h GLU 34 Cb 1.25 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 30.41 1krx h GLU 34 CO 0.56 0.24 0.33 1.21 0.07 0.00 0.00 179.01 181.42 1krx s ASN 35 N -5.44 -0.30 0.58 3.06 2.47 -1.26 -4.29 114.94 109.75 1krx s ASN 35 Ca -0.14 -0.37 0.37 0.00 0.42 0.00 0.00 52.86 53.14 1krx s ASN 35 Cb 0.04 0.60 1.39 0.00 -1.45 0.00 0.00 41.25 41.83 1krx s ASN 35 CO 0.67 -1.07 1.55 1.23 -3.72 0.00 0.00 177.10 175.77 1krx h GLY 36 N 2.00 0.00 0.85 1.21 0.00 -1.88 0.50 103.07 105.76 1krx h GLY 36 Ca -0.24 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 1krx h GLY 36 CO 0.27 0.00 0.05 -0.57 0.00 0.00 0.00 176.54 176.29 1krx h ASN 37 N 0.00 0.24 -0.28 0.19 -0.00 -1.95 -3.05 115.58 110.74 1krx h ASN 37 Ca 0.63 -0.21 0.07 0.00 -0.00 0.00 0.00 56.30 56.79 1krx h ASN 37 Cb 2.93 -0.06 -0.07 0.00 -0.00 0.00 0.00 38.32 41.12 1krx h ASN 37 CO -0.01 0.38 -0.20 -0.08 -0.00 0.00 0.00 177.43 177.53 1krx h GLU 38 N 0.09 -0.17 -0.96 6.67 4.57 -0.37 -0.71 114.58 123.69 1krx h GLU 38 Ca 0.05 0.01 0.23 0.00 -1.18 0.00 0.00 59.36 58.47 1krx h GLU 38 Cb 0.23 0.04 -0.12 0.00 -0.16 0.00 0.00 28.75 28.74 1krx h GLU 38 CO -0.00 -0.11 0.53 0.28 -1.18 0.00 0.00 179.01 178.52 1krx h VAL 39 N -0.18 0.54 -0.58 0.32 2.07 -1.53 0.11 116.25 117.00 1krx h VAL 39 Ca 0.15 -0.18 0.12 0.00 0.82 0.00 0.00 66.70 67.60 1krx h VAL 39 Cb 0.41 -0.05 -0.10 0.00 -1.52 0.00 0.00 31.29 30.03 1krx h VAL 39 CO -0.38 0.10 0.01 -0.07 0.02 0.00 0.00 177.57 177.24 1krx h LEU 40 N 0.54 -0.24 -0.08 2.57 3.38 -1.02 1.04 115.31 121.49 1krx h LEU 40 Ca 0.61 0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.71 1krx h LEU 40 Cb 1.13 0.25 -0.00 0.00 0.09 0.00 0.00 40.66 42.12 1krx h LEU 40 CO -0.48 -0.10 0.03 0.00 0.09 0.00 0.00 178.44 177.98 1krx h ALA 41 N 1.52 0.11 -0.64 1.53 0.00 -0.71 -2.99 119.26 118.07 1krx h ALA 41 Ca 0.30 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 1krx h ALA 41 Cb 0.48 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1krx h ALA 41 CO -0.49 -0.30 0.16 0.00 0.00 0.00 0.00 179.25 178.62 1krx h ALA 42 N 0.85 0.85 0.00 0.00 0.00 -0.74 -2.74 119.26 117.48 1krx h ALA 42 Ca 0.03 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1krx h ALA 42 Cb 0.19 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1krx h ALA 42 CO -0.00 0.56 -0.00 -0.07 0.00 0.00 0.00 179.25 179.73 1krx h LEU 43 N 0.95 0.00 -1.14 0.00 3.38 0.12 -2.36 115.31 116.26 1krx h LEU 43 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1krx h LEU 43 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1krx h LEU 43 CO 0.00 0.00 0.11 0.00 0.09 0.00 0.00 178.44 178.64 1krx n ALA 44 N -2.12 0.89 -0.09 1.53 0.00 -1.03 -1.69 120.51 117.99 1krx n ALA 44 Ca -0.03 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1krx n ALA 44 Cb 0.10 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1krx n ALA 44 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1krx n SER 45 N -2.12 0.22 -3.69 0.00 7.64 -0.89 -5.10 113.62 109.67 1krx n SER 45 Ca -0.01 -0.56 -0.06 0.00 1.01 0.00 0.00 58.87 59.25 1krx n SER 45 Cb 0.13 0.49 -0.02 0.00 -1.01 0.00 0.00 64.21 63.81 1krx n SER 45 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1krx s LYS 46 N -0.49 1.29 -0.04 1.43 2.20 -0.68 -5.16 119.74 118.28 1krx s LYS 46 Ca 0.00 -0.65 -0.01 0.00 -0.36 0.00 0.00 55.97 54.94 1krx s LYS 46 Cb 0.00 0.48 0.03 0.00 -1.51 0.00 0.00 37.83 36.83 1krx s LYS 46 CO 0.00 -0.58 0.04 0.99 -0.36 0.00 0.00 175.35 175.44 1krx s THR 47 N -3.48 0.01 0.54 3.43 2.01 -1.26 -4.03 115.64 112.86 1krx s THR 47 Ca 0.09 0.32 -0.16 0.00 0.31 0.00 0.00 61.69 62.26 1krx s THR 47 Cb -0.02 -0.22 -0.07 0.00 0.01 0.00 0.00 72.50 72.20 1krx s THR 47 CO -0.01 0.18 1.00 -2.16 -0.69 0.00 0.00 174.62 172.94 1krx s PRO 48 N 1.90 3.83 0.33 4.92 0.04 -1.26 -4.89 135.00 139.88 1krx s PRO 48 Ca 0.02 0.95 0.17 0.00 0.04 0.00 0.00 61.00 62.18 1krx s PRO 48 Cb -0.12 -2.12 0.43 0.00 0.04 0.00 0.00 34.50 32.73 1krx s PRO 48 CO -0.03 -0.37 1.61 -0.44 0.04 0.00 0.00 177.00 177.81 1krx h ASP 49 N 0.68 0.00 -2.15 6.66 3.32 -0.04 -3.41 116.42 121.48 1krx h ASP 49 Ca -0.46 0.00 -0.42 0.00 0.02 0.00 0.00 57.03 56.16 1krx h ASP 49 Cb 1.19 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 40.40 1krx h ASP 49 CO 0.61 0.44 -0.73 0.54 -1.72 0.00 0.00 179.24 178.39 1krx s VAL 50 N -3.33 -0.21 0.20 -1.35 0.11 -1.18 -4.74 120.40 109.90 1krx s VAL 50 Ca 0.02 -1.13 -0.18 0.00 -2.93 0.00 0.00 61.98 57.75 1krx s VAL 50 Cb 0.10 -0.82 -0.08 0.00 -1.53 0.00 0.00 36.38 34.05 1krx s VAL 50 CO 0.71 -0.69 0.67 -0.22 -3.33 0.00 0.00 175.10 172.24 1krx s LEU 51 N 1.42 4.35 -0.03 2.54 2.96 -0.49 -2.62 118.68 126.81 1krx s LEU 51 Ca 0.16 1.32 0.05 0.00 -0.22 0.00 0.00 54.13 55.44 1krx s LEU 51 Cb -0.17 -3.47 -0.01 0.00 0.50 0.00 0.00 46.19 43.04 1krx s LEU 51 CO -0.05 0.06 -0.18 -0.76 -1.32 0.00 0.00 176.35 174.10 1krx s LEU 52 N -1.94 1.97 -0.02 -0.68 1.43 0.36 0.32 118.68 120.11 1krx s LEU 52 Ca 0.41 -0.34 0.02 0.00 -1.03 0.00 0.00 54.13 53.19 1krx s LEU 52 Cb -0.16 -0.96 0.01 0.00 0.03 0.00 0.00 46.19 45.10 1krx s LEU 52 CO 0.20 0.19 -0.07 -0.44 0.23 0.00 0.00 176.35 176.46 1krx s SER 53 N -0.18 1.01 1.20 2.29 0.01 0.41 0.58 113.70 119.01 1krx s SER 53 Ca 0.01 -0.15 -0.17 0.00 1.31 0.00 0.00 55.95 56.95 1krx s SER 53 Cb -0.09 -0.28 0.28 0.00 0.21 0.00 0.00 66.02 66.14 1krx s SER 53 CO 0.01 0.04 1.06 -0.62 0.41 0.00 0.00 173.24 174.14 1krx s ASP 54 N 0.26 0.89 -0.47 2.44 2.15 0.37 -2.65 116.67 119.66 1krx s ASP 54 Ca -0.04 0.93 0.06 0.00 0.43 0.00 0.00 52.55 53.93 1krx s ASP 54 Cb -0.08 -1.38 0.20 0.00 -0.30 0.00 0.00 42.92 41.35 1krx s ASP 54 CO 0.00 -4.17 0.62 0.00 -0.17 0.00 0.00 175.17 171.45 1krx n ILE 55 N -4.84 -0.42 0.00 4.11 3.06 -1.26 -4.49 119.36 115.52 1krx n ILE 55 Ca 0.09 -2.02 0.00 0.00 -2.50 0.00 0.00 62.75 58.32 1krx n ILE 55 Cb 0.58 0.04 0.00 0.00 0.54 0.00 0.00 39.64 40.81 1krx n ILE 55 CO 0.00 0.00 0.00 -1.14 -2.50 0.00 0.00 176.55 172.91 1krx n ARG 56 N 2.62 0.00 0.05 9.51 0.63 -0.28 -4.37 116.66 124.83 1krx n ARG 56 Ca 0.21 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.14 1krx n ARG 56 Cb 0.54 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.45 1krx n ARG 56 CO 0.00 0.00 0.00 -0.12 -2.51 0.00 0.00 177.63 175.00 1krx n MET 57 N 0.00 0.00 0.00 -0.14 1.56 -1.02 -5.04 117.12 112.48 1krx n MET 57 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 1krx n MET 57 Cb 0.00 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.37 1krx n MET 57 CO 0.00 0.00 0.00 -0.35 -0.73 0.00 0.00 175.97 174.89 1krx n PRO 58 N -2.73 0.39 0.43 2.12 -0.04 -1.24 -4.88 135.00 129.05 1krx n PRO 58 Ca 0.00 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.29 1krx n PRO 58 Cb 0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.38 1krx n PRO 58 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1krx h GLY 59 N -0.15 -1.17 -3.76 0.55 0.00 -2.01 -3.17 103.07 93.37 1krx h GLY 59 Ca 0.00 0.43 -0.24 0.00 0.00 0.00 0.00 47.33 47.52 1krx h GLY 59 CO 0.00 -0.42 0.05 1.03 0.00 0.00 0.00 176.54 177.20 1krx n MET 60 N -5.35 1.80 0.00 4.80 2.81 -1.26 -4.90 117.12 115.02 1krx n MET 60 Ca -0.14 -1.17 0.00 0.00 -1.81 0.00 0.00 57.70 54.58 1krx n MET 60 Cb 0.44 -1.70 0.00 0.00 -0.71 0.00 0.00 33.22 31.25 1krx n MET 60 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1krx n ASP 61 N 1.43 0.00 0.00 7.83 8.00 -1.20 -1.18 116.55 131.43 1krx n ASP 61 Ca 0.31 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.81 1krx n ASP 61 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.76 1krx n ASP 61 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1krx n GLY 62 N 0.00 0.00 0.34 0.44 0.00 -1.26 -1.13 105.19 103.58 1krx n GLY 62 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.20 1krx n GLY 62 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1krx h LEU 63 N 0.00 0.00 -0.87 0.99 4.07 -1.44 0.11 115.31 118.17 1krx h LEU 63 Ca 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.92 1krx h LEU 63 Cb 0.05 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.75 1krx h LEU 63 CO 0.00 0.00 0.29 0.00 -1.08 0.00 0.00 178.44 177.65 1krx h ALA 64 N 1.72 1.10 -0.76 1.53 0.00 -1.84 -2.36 119.26 118.64 1krx h ALA 64 Ca 0.04 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1krx h ALA 64 Cb 0.41 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1krx h ALA 64 CO -0.00 0.64 0.51 -0.07 0.00 0.00 0.00 179.25 180.32 1krx h LEU 65 N 1.09 0.85 -0.73 0.00 -0.00 -1.09 -1.66 115.31 113.77 1krx h LEU 65 Ca 0.25 -0.02 0.01 0.00 -0.00 0.00 0.00 57.88 58.12 1krx h LEU 65 Cb 0.22 -0.21 -0.04 0.00 -0.00 0.00 0.00 40.66 40.63 1krx h LEU 65 CO -0.02 0.60 0.48 -0.07 -0.00 0.00 0.00 178.44 179.43 1krx h LEU 66 N 1.00 0.82 -0.64 1.67 -0.00 -1.43 -1.52 115.31 115.20 1krx h LEU 66 Ca 0.29 -0.02 0.06 0.00 -0.00 0.00 0.00 57.88 58.22 1krx h LEU 66 Cb -0.05 -0.20 -0.06 0.00 -0.00 0.00 0.00 40.66 40.35 1krx h LEU 66 CO -0.07 0.59 0.34 0.50 -0.00 0.00 0.00 178.44 179.79 1krx h LYS 67 N 0.97 0.60 -0.74 1.13 3.64 -1.18 -1.63 116.57 119.35 1krx h LYS 67 Ca 0.27 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.56 1krx h LYS 67 Cb -0.09 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.56 1krx h LYS 67 CO -0.07 0.40 0.26 1.96 -2.27 0.00 0.00 179.45 179.74 1krx h GLN 68 N 0.62 1.13 -0.00 1.90 4.20 -1.18 -2.73 115.11 119.04 1krx h GLN 68 Ca 0.29 -0.22 0.02 0.00 0.06 0.00 0.00 58.65 58.80 1krx h GLN 68 Cb 0.22 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 1krx h GLN 68 CO -0.20 0.94 -0.10 0.82 -0.67 0.00 0.00 178.83 179.62 1krx h ILE 69 N 1.09 0.75 0.00 2.54 2.04 -0.37 -1.80 117.51 121.76 1krx h ILE 69 Ca 0.24 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.09 1krx h ILE 69 Cb 0.26 0.75 -0.00 0.00 -0.74 0.00 0.00 36.82 37.08 1krx h ILE 69 CO -0.01 0.00 -0.09 0.07 0.00 0.00 0.00 178.15 178.12 1krx h LYS 70 N -0.17 0.00 -0.02 2.37 2.10 -1.34 0.33 116.57 119.84 1krx h LYS 70 Ca 0.04 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.69 1krx h LYS 70 Cb 0.22 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.55 1krx h LYS 70 CO -0.10 0.09 0.01 0.37 -2.00 0.00 0.00 179.45 177.81 1krx h GLN 71 N 0.00 0.03 0.00 0.07 4.15 -1.01 -3.32 115.11 115.03 1krx h GLN 71 Ca -0.00 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.39 1krx h GLN 71 Cb 0.30 -0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.98 1krx h GLN 71 CO 0.01 0.25 -1.96 0.54 -1.93 0.00 0.00 178.83 175.74 1krx n ARG 72 N -4.96 0.66 -4.56 1.69 1.74 -1.13 -4.96 116.66 105.14 1krx n ARG 72 Ca -0.07 -0.17 -0.30 0.00 -0.77 0.00 0.00 57.85 56.54 1krx n ARG 72 Cb 0.13 -1.54 -0.12 0.00 -1.02 0.00 0.00 32.46 29.91 1krx n ARG 72 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1krx s HIS 73 N -3.46 2.53 0.00 -1.55 3.76 0.11 -5.07 115.29 111.62 1krx s HIS 73 Ca -0.08 -0.27 0.00 0.00 -0.15 0.00 0.00 55.06 54.56 1krx s HIS 73 Cb 0.13 -1.42 0.00 0.00 1.11 0.00 0.00 32.58 32.41 1krx s HIS 73 CO 0.90 0.29 0.72 -0.35 -0.85 0.00 0.00 174.74 175.44 1krx n PRO 74 N 1.32 0.00 -2.90 8.40 -0.04 -1.26 -4.04 135.00 136.47 1krx n PRO 74 Ca -0.16 0.25 -0.12 0.00 -0.04 0.00 0.00 63.50 63.42 1krx n PRO 74 Cb 0.52 -1.22 0.04 0.00 -0.04 0.00 0.00 33.50 32.80 1krx n PRO 74 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1krx n MET 75 N -1.19 1.03 -1.99 0.54 2.81 -1.25 -4.55 117.12 112.52 1krx n MET 75 Ca 0.00 -2.66 -0.42 0.00 -1.81 0.00 0.00 57.70 52.80 1krx n MET 75 Cb 0.00 -1.22 -0.03 0.00 -0.71 0.00 0.00 33.22 31.26 1krx n MET 75 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 1krx s LEU 76 N -2.54 4.20 -0.11 4.03 0.20 -1.26 -4.48 118.68 118.72 1krx s LEU 76 Ca 0.30 2.11 -0.30 0.00 0.69 0.00 0.00 54.13 56.93 1krx s LEU 76 Cb 0.35 -3.53 -0.08 0.00 -0.43 0.00 0.00 46.19 42.49 1krx s LEU 76 CO -0.06 -1.05 2.08 -2.65 -0.29 0.00 0.00 176.35 174.39 1krx n PRO 77 N 7.33 2.29 -4.19 0.98 -0.02 -1.26 -3.60 135.00 136.53 1krx n PRO 77 Ca 0.18 0.76 -0.30 0.00 -2.02 0.00 0.00 63.50 62.12 1krx n PRO 77 Cb 0.43 -3.01 -0.09 0.00 -0.02 0.00 0.00 33.50 30.81 1krx n PRO 77 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1krx s VAL 78 N 6.17 3.63 -0.12 -1.45 1.01 -1.22 -1.40 120.40 127.02 1krx s VAL 78 Ca 0.96 -1.17 -0.03 0.00 0.00 0.00 0.00 61.98 61.75 1krx s VAL 78 Cb -0.46 -2.71 0.04 0.00 0.00 0.00 0.00 36.38 33.25 1krx s VAL 78 CO 0.41 0.11 0.04 -0.63 0.00 0.00 0.00 175.10 175.03 1krx s ILE 79 N -1.27 0.25 0.20 2.22 1.01 0.15 0.21 121.20 123.98 1krx s ILE 79 Ca 0.23 -0.07 -0.07 0.00 0.00 0.00 0.00 60.65 60.75 1krx s ILE 79 Cb -0.11 -0.61 -0.06 0.00 0.01 0.00 0.00 42.46 41.68 1krx s ILE 79 CO 0.16 0.02 0.48 -0.63 0.00 0.00 0.00 174.94 174.96 1krx s ILE 80 N 2.00 5.05 -0.02 2.92 -1.09 -1.12 0.15 121.20 129.10 1krx s ILE 80 Ca 0.03 0.20 0.12 0.00 -2.23 0.00 0.00 60.65 58.78 1krx s ILE 80 Cb -0.14 -3.64 -0.03 0.00 -1.58 0.00 0.00 42.46 37.07 1krx s ILE 80 CO -0.06 -0.07 1.42 0.00 -1.23 0.00 0.00 174.94 175.00 1krx h MET 81 N 2.49 0.00 -4.35 2.79 -0.00 -1.70 1.84 114.93 116.01 1krx h MET 81 Ca -0.47 0.00 -0.20 0.00 -0.00 0.00 0.00 59.70 59.03 1krx h MET 81 Cb 1.17 0.00 -0.13 0.00 -0.00 0.00 0.00 31.60 32.64 1krx h MET 81 CO 0.70 0.66 -0.47 0.99 -0.00 0.00 0.00 176.91 178.79 1krx s THR 82 N -2.96 0.00 -0.34 -0.10 2.01 -0.10 0.19 115.64 114.34 1krx s THR 82 Ca 0.02 -1.84 0.11 0.00 0.31 0.00 0.00 61.69 60.30 1krx s THR 82 Cb 0.09 -2.43 0.45 0.00 0.01 0.00 0.00 72.50 70.62 1krx s THR 82 CO 0.77 0.00 1.10 0.00 -0.69 0.00 0.00 174.62 175.79 1krx n ALA 83 N -0.32 4.29 -1.01 7.40 0.00 -1.25 -4.61 120.51 125.00 1krx n ALA 83 Ca 0.01 -3.66 -0.09 0.00 0.00 0.00 0.00 53.44 49.70 1krx n ALA 83 Cb 0.65 -0.62 0.12 0.00 0.00 0.00 0.00 19.45 19.60 1krx n ALA 83 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1krx n HIS 84 N -0.47 -3.40 -2.67 0.00 8.25 -1.26 -4.67 115.22 111.00 1krx n HIS 84 Ca 0.29 -0.48 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 1krx n HIS 84 Cb 0.80 -0.56 0.00 0.00 1.12 0.00 0.00 29.99 31.36 1krx n HIS 84 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1krx n SER 85 N -3.93 -2.45 -4.55 0.41 2.88 -1.26 -4.30 113.62 100.40 1krx n SER 85 Ca 0.07 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.24 1krx n SER 85 Cb 0.29 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.71 1krx n SER 85 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1krx n ASP 86 N -3.47 2.38 0.29 -3.46 5.75 -1.26 -4.79 116.55 111.99 1krx n ASP 86 Ca 0.00 -0.41 0.18 0.00 -0.01 0.00 0.00 54.79 54.55 1krx n ASP 86 Cb 0.00 -1.57 0.92 0.00 -1.03 0.00 0.00 41.12 39.44 1krx n ASP 86 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1krx h LEU 87 N 18.95 0.00 -0.76 -2.12 7.12 -1.83 -2.70 115.31 133.96 1krx h LEU 87 Ca -0.26 0.00 0.17 0.00 0.13 0.00 0.00 57.88 57.93 1krx h LEU 87 Cb 1.27 0.00 -0.12 0.00 -0.53 0.00 0.00 40.66 41.28 1krx h LEU 87 CO 1.14 0.00 0.16 0.44 -0.13 0.00 0.00 178.44 180.05 1krx h ASP 88 N 0.00 -0.05 0.74 1.25 3.32 -1.95 0.46 116.42 120.19 1krx h ASP 88 Ca 0.04 0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1krx h ASP 88 Cb 0.48 0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.26 1krx h ASP 88 CO -0.00 -0.08 0.00 0.00 -1.72 0.00 0.00 179.24 177.44 1krx h ALA 89 N 1.65 1.00 0.30 3.45 0.00 -1.82 -2.79 119.26 121.05 1krx h ALA 89 Ca 0.44 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.33 1krx h ALA 89 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1krx h ALA 89 CO -0.56 0.00 -0.14 0.00 0.00 0.00 0.00 179.25 178.55 1krx h ALA 90 N 2.03 -0.40 -0.85 0.00 0.00 -0.24 -2.09 119.26 117.71 1krx h ALA 90 Ca 0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1krx h ALA 90 Cb 0.37 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1krx h ALA 90 CO 0.00 -0.59 0.42 0.28 0.00 0.00 0.00 179.25 179.36 1krx h VAL 91 N -0.67 1.26 0.00 0.00 2.07 -1.45 0.15 116.25 117.61 1krx h VAL 91 Ca -0.04 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1krx h VAL 91 Cb 0.47 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1krx h VAL 91 CO 0.07 0.31 0.00 0.77 0.02 0.00 0.00 177.57 178.74 1krx h SER 92 N 1.21 0.00 0.17 0.57 4.64 -1.44 -2.79 113.55 115.91 1krx h SER 92 Ca 0.29 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.61 1krx h SER 92 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1krx h SER 92 CO -0.04 0.00 -0.08 0.00 -0.87 0.00 0.00 176.83 175.84 1krx h ALA 93 N 2.09 -0.22 -0.86 5.18 0.00 -0.23 -2.58 119.26 122.63 1krx h ALA 93 Ca 0.00 -0.14 0.20 0.00 0.00 0.00 0.00 54.91 54.97 1krx h ALA 93 Cb 0.13 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 1krx h ALA 93 CO 0.00 -0.23 0.57 1.88 0.00 0.00 0.00 179.25 181.47 1krx h TYR 94 N -1.01 0.46 -0.01 0.00 0.05 -1.37 1.48 116.97 116.57 1krx h TYR 94 Ca -0.02 0.01 -0.20 0.00 0.05 0.00 0.00 58.73 58.57 1krx h TYR 94 Cb 0.35 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 37.94 1krx h TYR 94 CO 0.05 0.13 -0.86 -0.56 -1.05 0.00 0.00 178.16 175.87 1krx h GLN 95 N 0.35 0.25 -0.24 4.88 -0.00 -1.61 -3.17 115.11 115.57 1krx h GLN 95 Ca 0.44 -0.26 0.00 0.00 -0.00 0.00 0.00 58.65 58.82 1krx h GLN 95 Cb 1.15 0.07 0.00 0.00 -0.00 0.00 0.00 27.48 28.70 1krx h GLN 95 CO -0.14 0.97 0.00 0.00 -0.00 0.00 0.00 178.83 179.66 1krx n GLN 96 N -3.70 2.38 0.00 0.06 10.64 0.38 -4.93 117.38 122.22 1krx n GLN 96 Ca -0.04 -2.06 0.00 0.00 -1.83 0.00 0.00 57.00 53.07 1krx n GLN 96 Cb 0.79 -1.49 0.00 0.00 -0.86 0.00 0.00 30.24 28.68 1krx n GLN 96 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1krx n GLY 97 N 1.43 0.86 3.64 2.61 0.00 0.48 -3.81 105.19 110.40 1krx n GLY 97 Ca 0.17 -0.43 -0.04 0.00 0.00 0.00 0.00 46.02 45.72 1krx n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1krx s ALA 98 N 0.00 -2.17 -0.08 4.61 0.00 -0.88 -3.38 121.76 119.87 1krx s ALA 98 Ca 0.00 2.12 -0.21 0.00 0.00 0.00 0.00 51.96 53.87 1krx s ALA 98 Cb 0.00 -1.62 -0.17 0.00 0.00 0.00 0.00 23.12 21.33 1krx s ALA 98 CO 0.00 -0.32 0.79 0.35 0.00 0.00 0.00 175.76 176.58 1krx h PHE 99 N 5.58 -0.11 -0.76 0.00 3.57 -0.51 -3.34 116.94 121.37 1krx h PHE 99 Ca -0.28 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.21 1krx h PHE 99 Cb 1.19 0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.97 1krx h PHE 99 CO 0.17 0.42 0.00 -3.47 -2.23 0.00 0.00 178.31 173.20 1krx n ASP 100 N -4.82 0.00 -4.19 0.41 2.03 -1.16 -4.98 116.55 103.84 1krx n ASP 100 Ca -0.07 -0.69 -0.25 0.00 0.52 0.00 0.00 54.79 54.29 1krx n ASP 100 Cb 0.29 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.53 1krx n ASP 100 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1krx s TYR 101 N -2.39 1.66 0.07 -0.67 1.51 -1.26 -2.78 117.35 113.49 1krx s TYR 101 Ca 0.00 -0.32 0.01 0.00 -1.01 0.00 0.00 57.07 55.76 1krx s TYR 101 Cb 0.00 -1.06 -0.04 0.00 -0.11 0.00 0.00 41.96 40.75 1krx s TYR 101 CO 0.00 -0.02 0.17 -1.17 -1.11 0.00 0.00 175.55 173.42 1krx s LEU 102 N -0.49 4.17 0.10 -1.29 2.96 0.63 -4.92 118.68 119.83 1krx s LEU 102 Ca 0.07 0.16 -0.15 0.00 -0.22 0.00 0.00 54.13 53.99 1krx s LEU 102 Cb -0.07 -2.79 -0.08 0.00 0.50 0.00 0.00 46.19 43.75 1krx s LEU 102 CO -0.01 0.16 1.44 -0.65 -1.32 0.00 0.00 176.35 175.98 1krx h PRO 103 N 3.07 0.67 0.00 0.98 0.11 -1.73 -0.24 132.00 134.86 1krx h PRO 103 Ca -0.46 -0.32 0.00 0.00 0.11 0.00 0.00 66.00 65.33 1krx h PRO 103 Cb 1.16 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1krx h PRO 103 CO 0.72 0.92 0.00 1.17 -0.21 0.00 0.00 178.00 180.60 1krx n LYS 104 N -4.33 0.00 -0.83 1.05 0.00 0.50 -4.11 118.16 110.44 1krx n LYS 104 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 58.31 57.93 1krx n LYS 104 Cb 0.42 0.00 0.11 0.00 0.00 0.00 0.00 35.03 35.56 1krx n LYS 104 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 1krx n PRO 105 N 0.00 -0.58 0.00 1.64 -0.02 -1.26 -4.83 135.00 129.94 1krx n PRO 105 Ca 0.00 -0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 1krx n PRO 105 Cb 0.00 -1.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 1krx n PRO 105 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1krx n PHE 106 N -3.61 0.00 -0.91 6.00 7.35 -1.26 -4.91 117.46 120.12 1krx n PHE 106 Ca 0.02 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.72 1krx n PHE 106 Cb 0.60 0.00 -0.00 0.00 0.35 0.00 0.00 39.48 40.43 1krx n PHE 106 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 1krx n ASP 107 N 0.00 -1.40 0.01 -2.13 5.68 -1.26 -1.31 116.55 116.14 1krx n ASP 107 Ca 0.00 0.07 -0.13 0.00 -0.50 0.00 0.00 54.79 54.23 1krx n ASP 107 Cb 0.00 -0.28 -0.09 0.00 -1.14 0.00 0.00 41.12 39.61 1krx n ASP 107 CO 0.00 0.00 0.00 0.40 -1.33 0.00 0.00 177.20 176.27 1krx h ILE 108 N -0.06 1.24 -0.25 2.12 5.03 -1.95 0.96 117.51 124.60 1krx h ILE 108 Ca 0.00 -0.92 0.06 0.00 -0.12 0.00 0.00 64.86 63.89 1krx h ILE 108 Cb 0.06 1.85 -0.07 0.00 -3.03 0.00 0.00 36.82 35.62 1krx h ILE 108 CO 0.00 0.23 -0.30 0.44 -0.68 0.00 0.00 178.15 177.84 1krx h ASP 109 N -0.46 -0.97 0.95 1.72 5.19 -1.97 1.40 116.42 122.28 1krx h ASP 109 Ca -0.01 0.16 -0.22 0.00 -0.62 0.00 0.00 57.03 56.35 1krx h ASP 109 Cb 0.42 0.44 -0.03 0.00 0.18 0.00 0.00 39.33 40.34 1krx h ASP 109 CO 0.01 -0.33 -1.03 -0.33 -3.12 0.00 0.00 179.24 174.44 1krx h GLU 110 N -0.31 0.03 0.00 3.56 4.39 -1.28 -2.73 114.58 118.25 1krx h GLU 110 Ca 0.13 -0.06 -0.08 0.00 0.34 0.00 0.00 59.36 59.70 1krx h GLU 110 Cb 0.52 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 1krx h GLU 110 CO -0.42 1.03 -0.45 0.00 -1.16 0.00 0.00 179.01 178.00 1krx h ALA 111 N 0.95 0.09 -0.20 3.43 0.00 0.52 -3.11 119.26 120.94 1krx h ALA 111 Ca -0.03 -0.69 -0.00 0.00 0.00 0.00 0.00 54.91 54.19 1krx h ALA 111 Cb 1.80 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.85 1krx h ALA 111 CO 0.14 0.26 0.11 0.28 0.00 0.00 0.00 179.25 180.05 1krx h VAL 112 N -1.00 1.06 0.17 0.00 2.07 0.18 0.38 116.25 119.11 1krx h VAL 112 Ca -0.12 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1krx h VAL 112 Cb 0.98 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1krx h VAL 112 CO -0.07 0.06 -0.09 0.00 0.02 0.00 0.00 177.57 177.49 1krx h ALA 113 N 1.86 -0.24 0.00 1.67 0.00 -1.47 -1.66 119.26 119.42 1krx h ALA 113 Ca 0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1krx h ALA 113 Cb -0.00 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1krx h ALA 113 CO -0.01 -0.64 -0.06 1.25 0.00 0.00 0.00 179.25 179.79 1krx h LEU 114 N -0.25 0.00 0.01 0.00 5.85 -1.24 -2.74 115.31 116.94 1krx h LEU 114 Ca -0.02 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1krx h LEU 114 Cb 0.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.23 1krx h LEU 114 CO 0.03 0.06 -0.00 1.62 -0.34 0.00 0.00 178.44 179.80 1krx h VAL 115 N 0.00 1.46 -0.43 1.05 3.04 0.04 -2.51 116.25 118.92 1krx h VAL 115 Ca -0.00 -2.00 -0.13 0.00 -1.01 0.00 0.00 66.70 63.56 1krx h VAL 115 Cb 0.81 2.72 -0.01 0.00 -2.01 0.00 0.00 31.29 32.80 1krx h VAL 115 CO 0.01 0.48 -0.23 -0.33 -1.01 0.00 0.00 177.57 176.49 1krx h GLU 116 N -0.95 0.91 0.00 4.17 5.08 -1.42 -2.30 114.58 120.06 1krx h GLU 116 Ca -0.00 -0.41 -0.05 0.00 -1.00 0.00 0.00 59.36 57.90 1krx h GLU 116 Cb 0.80 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 1krx h GLU 116 CO 0.00 1.06 -0.22 0.00 -1.00 0.00 0.00 179.01 178.85 1krx h ARG 117 N 0.74 0.00 0.22 2.33 2.47 -1.63 0.33 114.38 118.83 1krx h ARG 117 Ca 0.09 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.80 1krx h ARG 117 Cb 0.80 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.12 1krx h ARG 117 CO 0.07 0.22 -0.10 0.00 0.56 0.00 0.00 179.97 180.72 1krx h ALA 118 N 1.78 -0.29 -0.08 0.04 0.00 -1.13 -1.63 119.26 117.95 1krx h ALA 118 Ca -0.00 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 1krx h ALA 118 Cb 0.50 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1krx h ALA 118 CO 0.03 -0.37 -0.28 0.82 0.00 0.00 0.00 179.25 179.45 1krx h ILE 119 N -0.87 1.24 -0.31 0.00 2.04 -1.35 -2.61 117.51 115.64 1krx h ILE 119 Ca -0.03 -1.11 -0.08 0.00 1.00 0.00 0.00 64.86 64.64 1krx h ILE 119 Cb 0.51 1.49 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 1krx h ILE 119 CO 0.05 0.33 -0.10 -1.28 0.00 0.00 0.00 178.15 177.15 1krx h SER 120 N 0.13 0.62 0.55 1.72 0.87 -0.97 -2.83 113.55 113.65 1krx h SER 120 Ca 0.02 -0.38 -0.03 0.00 -1.23 0.00 0.00 61.79 60.17 1krx h SER 120 Cb 0.57 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.36 1krx h SER 120 CO 0.04 0.86 -0.15 0.45 -0.53 0.00 0.00 176.83 177.50 1krx h HIS 121 N 0.38 0.00 -0.39 2.24 3.86 -1.09 -2.82 115.15 117.33 1krx h HIS 121 Ca 0.07 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.14 1krx h HIS 121 Cb 0.60 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.07 1krx h HIS 121 CO 0.05 0.15 -0.34 1.88 0.86 0.00 0.00 177.93 180.54 1krx h TYR 122 N 0.00 1.08 -2.66 2.45 0.05 -1.23 -3.45 116.97 113.22 1krx h TYR 122 Ca -0.00 -0.31 -0.19 0.00 0.05 0.00 0.00 58.73 58.27 1krx h TYR 122 Cb 0.47 -0.23 0.09 0.00 1.01 0.00 0.00 36.73 38.06 1krx h TYR 122 CO 0.00 1.13 0.14 1.04 -1.05 0.00 0.00 178.16 179.42 1krx n GLN 123 N -4.11 -1.18 -0.56 4.88 6.02 -1.06 -5.12 117.38 116.24 1krx n GLN 123 Ca -0.02 -0.90 0.00 0.00 -0.01 0.00 0.00 57.00 56.07 1krx n GLN 123 Cb 0.52 -0.69 0.00 0.00 1.02 0.00 0.00 30.24 31.09 1krx n GLN 123 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44