#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1krx s GLN 2 N 0.00 3.53 0.02 0.03 2.00 -1.26 -5.03 119.66 118.95 1krx s GLN 2 Ca 0.00 0.11 -0.22 0.00 -2.00 0.00 0.00 55.36 53.25 1krx s GLN 2 Cb 0.00 -2.43 -0.12 0.00 0.80 0.00 0.00 33.01 31.26 1krx s GLN 2 CO 0.00 -0.14 1.09 0.07 -0.50 0.00 0.00 175.29 175.81 1krx h ARG 3 N 0.33 -0.76 0.00 1.67 0.11 -2.03 -3.48 114.38 110.22 1krx h ARG 3 Ca -0.47 0.05 0.00 0.00 0.10 0.00 0.00 59.98 59.66 1krx h ARG 3 Cb 1.21 0.17 0.00 0.00 1.11 0.00 0.00 29.97 32.46 1krx h ARG 3 CO 0.62 -0.51 0.00 0.41 0.10 0.00 0.00 179.97 180.59 1krx n GLY 4 N -0.72 1.25 2.85 0.08 0.00 -1.26 -4.89 105.19 102.49 1krx n GLY 4 Ca -0.10 0.31 -0.28 0.00 0.00 0.00 0.00 46.02 45.95 1krx n GLY 4 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1krx s ILE 5 N 0.00 0.97 -0.11 -0.61 -1.09 -1.26 -0.08 121.20 119.02 1krx s ILE 5 Ca 0.00 -0.68 -0.03 0.00 -2.23 0.00 0.00 60.65 57.71 1krx s ILE 5 Cb 0.00 -1.27 -0.03 0.00 -1.58 0.00 0.00 42.46 39.58 1krx s ILE 5 CO 0.00 -0.01 -0.01 0.54 -1.23 0.00 0.00 174.94 174.22 1krx s VAL 6 N 1.67 4.16 -0.11 2.92 0.11 0.41 -0.08 120.40 129.48 1krx s VAL 6 Ca -0.01 -0.29 0.03 0.00 -2.93 0.00 0.00 61.98 58.78 1krx s VAL 6 Cb -0.16 -2.78 0.01 0.00 -1.53 0.00 0.00 36.38 31.92 1krx s VAL 6 CO -0.07 0.56 -0.20 0.26 -3.33 0.00 0.00 175.10 172.31 1krx s TRP 7 N -0.38 2.34 -0.09 1.54 0.52 -1.05 -2.37 118.94 119.44 1krx s TRP 7 Ca 0.07 -1.06 0.04 0.00 0.02 0.00 0.00 56.10 55.17 1krx s TRP 7 Cb -0.12 -1.61 -0.01 0.00 -1.15 0.00 0.00 33.47 30.58 1krx s TRP 7 CO 0.02 -0.48 -0.21 0.08 0.02 0.00 0.00 176.95 176.38 1krx s VAL 8 N 0.67 2.38 -0.33 4.03 1.01 0.17 -0.24 120.40 128.10 1krx s VAL 8 Ca -0.12 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 60.94 1krx s VAL 8 Cb -0.16 -1.92 0.08 0.00 0.00 0.00 0.00 36.38 34.37 1krx s VAL 8 CO 0.03 0.56 0.04 -0.69 0.00 0.00 0.00 175.10 175.03 1krx s VAL 9 N 0.12 2.71 0.00 2.92 1.01 0.51 0.13 120.40 127.80 1krx s VAL 9 Ca -0.10 -1.84 0.00 0.00 0.00 0.00 0.00 61.98 60.04 1krx s VAL 9 Cb -0.16 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.48 1krx s VAL 9 CO 0.06 -0.35 0.00 -0.67 0.00 0.00 0.00 175.10 174.14 1krx n ASP 10 N 4.48 0.00 0.00 3.32 -0.08 -0.95 0.16 116.55 123.48 1krx n ASP 10 Ca -0.06 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.22 1krx n ASP 10 Cb 0.42 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.88 1krx n ASP 10 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1krx n ASP 11 N 0.00 0.00 0.00 1.67 2.03 -1.21 -4.47 116.55 114.57 1krx n ASP 11 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1krx n ASP 11 Cb 0.00 -0.73 0.00 0.00 -0.72 0.00 0.00 41.12 39.67 1krx n ASP 11 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1krx n ASP 12 N 0.00 -0.20 0.00 1.67 5.75 -1.23 -4.37 116.55 118.16 1krx n ASP 12 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1krx n ASP 12 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1krx n ASP 12 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1krx n SER 13 N -3.74 0.00 0.26 -1.12 2.88 -1.26 0.13 113.62 110.77 1krx n SER 13 Ca 0.00 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.38 1krx n SER 13 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 1krx n SER 13 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1krx h SER 14 N 0.00 -1.05 0.02 -3.46 0.87 -1.94 0.35 113.55 108.33 1krx h SER 14 Ca 0.00 0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1krx h SER 14 Cb 0.00 0.35 -0.00 0.00 -0.44 0.00 0.00 62.40 62.31 1krx h SER 14 CO 0.00 -0.55 -0.00 0.40 -0.53 0.00 0.00 176.83 176.15 1krx h ILE 15 N -0.83 0.08 0.05 2.23 1.08 -0.53 -2.78 117.51 116.80 1krx h ILE 15 Ca -0.04 -0.01 -0.00 0.00 -0.39 0.00 0.00 64.86 64.42 1krx h ILE 15 Cb 0.73 1.01 0.00 0.00 -3.07 0.00 0.00 36.82 35.49 1krx h ILE 15 CO -0.04 0.00 -0.03 -0.09 -0.69 0.00 0.00 178.15 177.30 1krx h ARG 16 N 0.00 -0.07 -0.94 2.37 2.43 -0.92 -3.10 114.38 114.15 1krx h ARG 16 Ca -0.00 0.00 0.22 0.00 -0.81 0.00 0.00 59.98 59.39 1krx h ARG 16 Cb 0.01 0.02 -0.12 0.00 -0.42 0.00 0.00 29.97 29.46 1krx h ARG 16 CO 0.00 0.06 0.50 2.35 -1.51 0.00 0.00 179.97 181.38 1krx h TRP 17 N -1.01 0.85 0.47 2.20 7.01 -0.14 0.55 115.95 125.89 1krx h TRP 17 Ca -0.01 0.04 -0.02 0.00 2.11 0.00 0.00 58.89 61.01 1krx h TRP 17 Cb 0.17 -0.23 0.00 0.00 -2.10 0.00 0.00 29.16 27.00 1krx h TRP 17 CO 0.03 0.06 -0.23 0.28 -2.79 0.00 0.00 178.44 175.79 1krx h VAL 18 N 0.54 0.29 0.00 2.65 2.07 -1.65 -3.06 116.25 117.09 1krx h VAL 18 Ca 0.58 -0.53 -0.06 0.00 0.82 0.00 0.00 66.70 67.52 1krx h VAL 18 Cb 1.05 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1krx h VAL 18 CO -0.47 0.05 -0.27 0.25 0.02 0.00 0.00 177.57 177.16 1krx h LEU 19 N -1.04 0.00 0.48 2.57 5.85 -1.39 -2.98 115.31 118.79 1krx h LEU 19 Ca -0.07 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 1krx h LEU 19 Cb 0.58 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.61 1krx h LEU 19 CO 0.11 0.27 -0.23 1.05 -0.34 0.00 0.00 178.44 179.30 1krx h GLU 20 N 0.00 -0.62 0.22 1.25 4.11 0.03 -1.32 114.58 118.25 1krx h GLU 20 Ca -0.00 0.04 -0.00 0.00 0.07 0.00 0.00 59.36 59.47 1krx h GLU 20 Cb 0.70 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 1krx h GLU 20 CO 0.03 -0.32 -0.17 0.00 0.07 0.00 0.00 179.01 178.63 1krx h ARG 21 N -1.03 -0.38 -0.50 1.06 2.47 -1.60 0.34 114.38 114.75 1krx h ARG 21 Ca -0.07 0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.67 1krx h ARG 21 Cb 0.58 0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.97 1krx h ARG 21 CO 0.11 -0.25 0.25 0.00 0.56 0.00 0.00 179.97 180.63 1krx h ALA 22 N 0.36 1.50 0.00 0.04 0.00 -1.64 -1.70 119.26 117.82 1krx h ALA 22 Ca -0.01 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 1krx h ALA 22 Cb 0.35 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1krx h ALA 22 CO -0.01 0.40 -0.75 1.25 0.00 0.00 0.00 179.25 180.15 1krx h LEU 23 N 0.70 0.00 -1.16 0.00 7.12 -0.95 -3.01 115.31 118.00 1krx h LEU 23 Ca 0.18 0.00 -0.08 0.00 0.13 0.00 0.00 57.88 58.11 1krx h LEU 23 Cb 0.06 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.18 1krx h LEU 23 CO -0.03 0.75 -0.27 0.00 -0.13 0.00 0.00 178.44 178.76 1krx h ALA 24 N 1.25 1.30 0.00 1.25 0.00 0.54 -1.66 119.26 121.95 1krx h ALA 24 Ca -0.01 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1krx h ALA 24 Cb 1.41 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1krx h ALA 24 CO 0.10 0.48 -0.12 0.78 0.00 0.00 0.00 179.25 180.48 1krx h GLY 25 N 0.99 0.00 2.00 0.00 0.00 -1.23 -0.94 103.07 103.89 1krx h GLY 25 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1krx h GLY 25 CO 0.04 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.58 1krx n ALA 26 N -2.27 2.16 0.00 3.60 0.00 -0.63 -4.91 120.51 118.46 1krx n ALA 26 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1krx n ALA 26 Cb 0.25 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.24 1krx n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1krx n GLY 27 N 1.05 1.35 3.40 0.00 0.00 -0.36 -5.11 105.19 105.52 1krx n GLY 27 Ca 0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 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 1.93 -0.03 0.99 1.02 -1.18 -4.59 118.68 116.82 1krx s LEU 28 Ca 0.00 -1.41 -0.09 0.00 0.02 0.00 0.00 54.13 52.65 1krx s LEU 28 Cb 0.00 -0.18 -0.05 0.00 0.02 0.00 0.00 46.19 45.98 1krx s LEU 28 CO 0.00 -0.69 0.27 -0.89 0.02 0.00 0.00 176.35 175.06 1krx s THR 29 N -3.48 5.28 -0.13 5.49 2.01 0.89 -3.82 115.64 121.87 1krx s THR 29 Ca 0.36 0.39 -0.00 0.00 0.31 0.00 0.00 61.69 62.75 1krx s THR 29 Cb 0.08 -3.56 0.03 0.00 0.01 0.00 0.00 72.50 69.06 1krx s THR 29 CO 0.15 0.51 -0.10 0.00 -0.69 0.00 0.00 174.62 174.49 1krx s THR 31 N 1.61 0.84 0.31 0.00 -1.32 -1.00 -4.81 115.64 111.26 1krx s THR 31 Ca 0.04 -0.39 0.08 0.00 -1.21 0.00 0.00 61.69 60.21 1krx s THR 31 Cb -0.13 -0.74 -0.04 0.00 -1.51 0.00 0.00 72.50 70.08 1krx s THR 31 CO -0.09 0.26 0.19 0.42 -2.21 0.00 0.00 174.62 173.18 1krx s THR 32 N 0.20 3.59 0.28 5.08 -4.23 -1.25 -0.66 115.64 118.65 1krx s THR 32 Ca -0.03 -1.55 0.03 0.00 -1.18 0.00 0.00 61.69 58.96 1krx s THR 32 Cb -0.09 -3.13 -0.04 0.00 1.34 0.00 0.00 72.50 70.58 1krx s THR 32 CO 0.01 -0.25 0.17 -0.36 -0.54 0.00 0.00 174.62 173.65 1krx s PHE 33 N -2.30 1.52 0.04 3.99 0.40 0.12 -4.91 117.98 116.84 1krx s PHE 33 Ca 0.37 -1.42 -0.31 0.00 -0.60 0.00 0.00 56.93 54.97 1krx s PHE 33 Cb -0.05 -0.76 -0.17 0.00 0.51 0.00 0.00 43.02 42.54 1krx s PHE 33 CO 0.24 -0.60 1.33 1.05 0.70 0.00 0.00 175.22 177.94 1krx h GLU 34 N 2.30 -1.09 0.00 0.44 -0.00 -1.92 -2.52 114.58 111.79 1krx h GLU 34 Ca -0.33 0.07 0.00 0.00 -0.00 0.00 0.00 59.36 59.11 1krx h GLU 34 Cb 1.25 0.25 0.00 0.00 -0.00 0.00 0.00 28.75 30.24 1krx h GLU 34 CO 0.50 -0.73 0.00 -1.71 -0.00 0.00 0.00 179.01 177.07 1krx n ASN 35 N -5.41 0.00 0.00 3.06 5.15 -1.26 -3.35 115.26 113.45 1krx n ASN 35 Ca -0.14 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.84 1krx n ASN 35 Cb 0.45 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.70 1krx n ASN 35 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1krx n GLY 36 N -0.40 -1.85 0.49 8.20 0.00 -1.26 -1.41 105.19 108.96 1krx n GLY 36 Ca 0.00 0.67 0.30 0.00 0.00 0.00 0.00 46.02 46.99 1krx n GLY 36 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1krx h ASN 37 N 0.00 0.00 0.68 1.61 -0.26 -1.98 -1.25 115.58 114.38 1krx h ASN 37 Ca 0.00 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.71 1krx h ASN 37 Cb 0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.25 1krx h ASN 37 CO 0.00 0.00 -0.46 -0.08 -1.06 0.00 0.00 177.43 175.83 1krx h GLU 38 N 0.00 -1.04 -0.69 0.81 4.22 -1.98 -2.57 114.58 113.33 1krx h GLU 38 Ca 0.44 0.07 0.14 0.00 0.08 0.00 0.00 59.36 60.09 1krx h GLU 38 Cb 2.08 0.24 -0.10 0.00 0.50 0.00 0.00 28.75 31.47 1krx h GLU 38 CO -0.00 -0.69 0.18 0.28 -2.18 0.00 0.00 179.01 176.59 1krx h VAL 39 N -1.08 0.59 -0.96 0.32 2.07 -1.62 0.21 116.25 115.78 1krx h VAL 39 Ca -0.09 -0.10 0.27 0.00 0.82 0.00 0.00 66.70 67.60 1krx h VAL 39 Cb 0.88 0.27 -0.14 0.00 -1.52 0.00 0.00 31.29 30.78 1krx h VAL 39 CO 0.06 0.05 0.47 -0.07 0.02 0.00 0.00 177.57 178.10 1krx h LEU 40 N 0.30 0.40 -0.11 2.57 3.38 -1.42 1.89 115.31 122.32 1krx h LEU 40 Ca 0.37 0.18 -0.03 0.00 0.09 0.00 0.00 57.88 58.49 1krx h LEU 40 Cb 0.59 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 1krx h LEU 40 CO -0.45 -0.07 -0.04 0.00 0.09 0.00 0.00 178.44 177.97 1krx h ALA 41 N 1.79 0.15 -0.04 1.53 0.00 -0.57 -3.03 119.26 119.09 1krx h ALA 41 Ca 0.64 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 55.19 1krx h ALA 41 Cb 1.35 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1krx h ALA 41 CO -0.58 -0.09 -0.56 0.00 0.00 0.00 0.00 179.25 178.03 1krx h ALA 42 N 0.66 1.00 0.00 0.00 0.00 -0.43 -2.96 119.26 117.54 1krx h ALA 42 Ca 0.03 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1krx h ALA 42 Cb 0.48 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1krx h ALA 42 CO 0.01 0.70 -0.06 -0.07 0.00 0.00 0.00 179.25 179.83 1krx h LEU 43 N 0.09 0.00 -2.63 0.00 3.38 0.29 -1.45 115.31 114.99 1krx h LEU 43 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1krx h LEU 43 Cb 1.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 1krx h LEU 43 CO 0.08 0.06 0.12 0.00 0.09 0.00 0.00 178.44 178.79 1krx h ALA 44 N 1.94 1.13 -0.00 1.53 0.00 -1.40 -1.67 119.26 120.79 1krx h ALA 44 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1krx h ALA 44 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1krx h ALA 44 CO 0.01 -0.12 -0.05 0.43 0.00 0.00 0.00 179.25 179.52 1krx n SER 45 N -3.01 0.21 -3.56 0.00 7.64 -0.61 -5.06 113.62 109.23 1krx n SER 45 Ca -0.03 -0.61 -0.12 0.00 1.01 0.00 0.00 58.87 59.13 1krx n SER 45 Cb 0.18 0.85 -0.04 0.00 -1.01 0.00 0.00 64.21 64.19 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 -0.96 1.11 -0.14 1.43 2.20 -0.63 -5.15 119.74 117.60 1krx s LYS 46 Ca 0.01 -0.47 -0.04 0.00 -0.36 0.00 0.00 55.97 55.11 1krx s LYS 46 Cb 0.01 0.50 0.05 0.00 -1.51 0.00 0.00 37.83 36.88 1krx s LYS 46 CO 0.04 -0.44 0.07 0.99 -0.36 0.00 0.00 175.35 175.65 1krx s THR 47 N -3.27 0.06 0.71 3.43 2.01 -1.26 -3.85 115.64 113.47 1krx s THR 47 Ca -0.01 -0.09 -0.11 0.00 0.31 0.00 0.00 61.69 61.79 1krx s THR 47 Cb 0.00 -0.57 0.02 0.00 0.01 0.00 0.00 72.50 71.96 1krx s THR 47 CO -0.08 -0.13 1.07 -2.16 -0.69 0.00 0.00 174.62 172.63 1krx s PRO 48 N 2.08 2.79 0.48 4.92 0.04 -1.26 -4.96 135.00 139.09 1krx s PRO 48 Ca 0.02 0.72 0.28 0.00 0.04 0.00 0.00 61.00 62.06 1krx s PRO 48 Cb -0.15 -1.99 0.92 0.00 0.04 0.00 0.00 34.50 33.32 1krx s PRO 48 CO -0.07 -1.14 1.82 -0.44 0.04 0.00 0.00 177.00 177.20 1krx h ASP 49 N -0.74 0.00 -5.21 6.66 5.19 -0.87 -3.44 116.42 118.00 1krx h ASP 49 Ca -0.45 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 55.87 1krx h ASP 49 Cb 1.23 0.00 -0.13 0.00 0.18 0.00 0.00 39.33 40.62 1krx h ASP 49 CO 0.60 0.07 -0.28 0.54 -3.12 0.00 0.00 179.24 177.05 1krx s VAL 50 N -3.50 0.08 0.04 -1.35 0.11 -1.05 -4.46 120.40 110.27 1krx s VAL 50 Ca 0.03 -1.23 -0.18 0.00 -2.93 0.00 0.00 61.98 57.67 1krx s VAL 50 Cb 0.08 -1.66 0.03 0.00 -1.53 0.00 0.00 36.38 33.31 1krx s VAL 50 CO 0.61 -0.36 0.40 -0.22 -3.33 0.00 0.00 175.10 172.20 1krx s LEU 51 N -2.92 0.44 -0.05 2.54 2.96 0.24 -2.52 118.68 119.37 1krx s LEU 51 Ca 0.13 0.01 -0.01 0.00 -0.22 0.00 0.00 54.13 54.04 1krx s LEU 51 Cb 0.03 1.70 0.03 0.00 0.50 0.00 0.00 46.19 48.45 1krx s LEU 51 CO -0.04 -0.64 0.02 -0.76 -1.32 0.00 0.00 176.35 173.62 1krx s LEU 52 N -1.92 0.53 -0.01 -0.68 1.43 0.67 0.95 118.68 119.64 1krx s LEU 52 Ca -0.06 -0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.04 1krx s LEU 52 Cb -0.01 -0.27 -0.04 0.00 0.03 0.00 0.00 46.19 45.90 1krx s LEU 52 CO -0.01 -0.20 0.03 -0.44 0.23 0.00 0.00 176.35 175.96 1krx s SER 53 N 1.85 5.33 0.08 2.29 0.01 0.31 0.19 113.70 123.76 1krx s SER 53 Ca 0.02 0.05 0.27 0.00 1.31 0.00 0.00 55.95 57.60 1krx s SER 53 Cb -0.12 -1.45 1.06 0.00 0.21 0.00 0.00 66.02 65.71 1krx s SER 53 CO -0.04 0.28 1.85 -0.67 0.41 0.00 0.00 173.24 175.07 1krx n ASP 54 N 1.35 0.29 -1.22 2.44 2.03 0.43 -1.76 116.55 120.11 1krx n ASP 54 Ca -0.14 0.53 0.05 0.00 0.52 0.00 0.00 54.79 55.75 1krx n ASP 54 Cb 0.53 -0.61 -0.03 0.00 -0.72 0.00 0.00 41.12 40.29 1krx n ASP 54 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1krx n ILE 55 N -1.77 -1.18 -1.17 5.18 3.06 -1.24 -4.69 119.36 117.54 1krx n ILE 55 Ca 0.06 0.73 0.00 0.00 -2.50 0.00 0.00 62.75 61.04 1krx n ILE 55 Cb 0.36 -1.17 0.00 0.00 0.54 0.00 0.00 39.64 39.37 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 -3.06 0.00 0.06 9.51 0.63 0.23 -4.77 116.66 119.26 1krx n ARG 56 Ca -0.03 0.39 0.00 0.00 -0.92 0.00 0.00 57.85 57.29 1krx n ARG 56 Cb 0.35 -1.17 0.00 0.00 0.45 0.00 0.00 32.46 32.08 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 -0.67 0.00 0.00 -0.14 1.56 -0.46 -4.97 117.12 112.44 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 0.28 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.65 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 -2.69 0.90 -0.12 2.12 -0.04 -1.24 -4.86 135.00 129.08 1krx n PRO 58 Ca 0.00 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.48 1krx n PRO 58 Cb 0.00 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 33.53 1krx n PRO 58 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1krx n GLY 59 N 1.56 0.44 2.70 0.55 0.00 -1.26 -3.70 105.19 105.48 1krx n GLY 59 Ca 0.00 -0.18 -0.06 0.00 0.00 0.00 0.00 46.02 45.78 1krx n GLY 59 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1krx n MET 60 N 0.02 1.26 0.00 1.61 2.81 -1.26 -4.98 117.12 116.57 1krx n MET 60 Ca 0.05 -2.33 0.00 0.00 -1.81 0.00 0.00 57.70 53.62 1krx n MET 60 Cb 0.24 -0.49 0.00 0.00 -0.71 0.00 0.00 33.22 32.26 1krx n MET 60 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 1krx n ASP 61 N -0.57 0.00 0.00 7.83 5.75 -1.24 -1.09 116.55 127.23 1krx n ASP 61 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.77 1krx n ASP 61 Cb 0.84 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.93 1krx n ASP 61 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1krx n GLY 62 N 0.00 0.00 0.30 6.12 0.00 -1.26 0.74 105.19 111.09 1krx n GLY 62 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.14 0.99 4.07 -1.44 -0.89 115.31 116.90 1krx h LEU 63 Ca 0.00 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.89 1krx h LEU 63 Cb 0.80 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.52 1krx h LEU 63 CO 0.00 0.00 -0.11 0.00 -1.08 0.00 0.00 178.44 177.25 1krx h ALA 64 N 2.01 1.28 -0.53 1.53 0.00 -1.73 -2.65 119.26 119.17 1krx h ALA 64 Ca 0.00 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.69 1krx h ALA 64 Cb 0.18 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1krx h ALA 64 CO 0.00 0.47 0.28 -0.07 0.00 0.00 0.00 179.25 179.94 1krx h LEU 65 N 0.44 0.42 -0.51 0.00 -0.00 -1.45 -1.73 115.31 112.47 1krx h LEU 65 Ca 0.08 0.02 0.08 0.00 -0.00 0.00 0.00 57.88 58.07 1krx h LEU 65 Cb 0.47 -0.06 -0.07 0.00 -0.00 0.00 0.00 40.66 41.00 1krx h LEU 65 CO 0.03 0.29 0.14 -0.07 -0.00 0.00 0.00 178.44 178.82 1krx h LEU 66 N 0.55 0.07 -0.77 1.67 3.38 -1.56 -0.88 115.31 117.77 1krx h LEU 66 Ca 0.23 0.08 0.14 0.00 0.09 0.00 0.00 57.88 58.42 1krx h LEU 66 Cb 0.11 0.09 -0.09 0.00 0.09 0.00 0.00 40.66 40.87 1krx h LEU 66 CO -0.15 0.07 0.34 0.50 0.09 0.00 0.00 178.44 179.29 1krx h LYS 67 N 0.29 0.49 -0.55 1.13 3.64 -1.24 0.22 116.57 120.54 1krx h LYS 67 Ca 0.26 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.52 1krx h LYS 67 Cb 0.32 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 1krx h LYS 67 CO -0.30 0.32 -0.01 1.96 -2.27 0.00 0.00 179.45 179.15 1krx h GLN 68 N 0.50 0.95 -0.70 1.90 1.08 -0.80 -2.57 115.11 115.47 1krx h GLN 68 Ca 0.42 -0.29 -0.02 0.00 -1.45 0.00 0.00 58.65 57.31 1krx h GLN 68 Cb 0.61 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.91 1krx h GLN 68 CO -0.38 0.94 0.37 0.82 -0.95 0.00 0.00 178.83 179.63 1krx h ILE 69 N 0.88 1.22 0.00 2.54 1.08 0.04 -2.57 117.51 120.69 1krx h ILE 69 Ca 0.16 -0.59 -0.08 0.00 -0.39 0.00 0.00 64.86 63.96 1krx h ILE 69 Cb 0.52 0.33 -0.01 0.00 -3.07 0.00 0.00 36.82 34.59 1krx h ILE 69 CO 0.03 0.25 -0.38 0.07 -0.69 0.00 0.00 178.15 177.43 1krx h LYS 70 N 0.97 0.00 -0.42 2.37 5.09 -0.99 0.39 116.57 123.98 1krx h LYS 70 Ca 0.24 0.00 -0.14 0.00 0.09 0.00 0.00 60.65 60.84 1krx h LYS 70 Cb 0.07 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.39 1krx h LYS 70 CO -0.04 0.38 -0.29 1.96 -2.09 0.00 0.00 179.45 179.38 1krx h GLN 71 N 0.00 0.93 0.00 0.07 4.20 -1.05 -3.40 115.11 115.86 1krx h GLN 71 Ca -0.00 -0.43 -0.16 0.00 0.06 0.00 0.00 58.65 58.12 1krx h GLN 71 Cb 0.82 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.57 1krx h GLN 71 CO 0.05 1.09 -1.36 0.54 -0.67 0.00 0.00 178.83 178.47 1krx n ARG 72 N -4.09 0.37 -2.97 1.46 3.00 -1.13 -5.02 116.66 108.29 1krx n ARG 72 Ca -0.01 0.15 -0.36 0.00 -0.01 0.00 0.00 57.85 57.63 1krx n ARG 72 Cb 0.49 -1.13 -0.06 0.00 0.00 0.00 0.00 32.46 31.76 1krx n ARG 72 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1krx s HIS 73 N -2.46 3.62 0.00 -1.55 3.76 0.14 -5.04 115.29 113.76 1krx s HIS 73 Ca -0.22 1.54 0.00 0.00 -0.15 0.00 0.00 55.06 56.23 1krx s HIS 73 Cb 0.06 -2.74 0.00 0.00 1.11 0.00 0.00 32.58 31.01 1krx s HIS 73 CO 0.30 0.24 0.34 -0.35 -0.85 0.00 0.00 174.74 174.43 1krx n PRO 74 N 0.50 0.00 -2.44 8.40 -0.04 -1.26 -3.92 135.00 136.23 1krx n PRO 74 Ca 0.00 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.28 1krx n PRO 74 Cb 0.51 -0.84 0.02 0.00 -0.04 0.00 0.00 33.50 33.15 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 -0.50 2.76 -1.57 0.54 2.81 -1.22 -4.56 117.12 115.37 1krx n MET 75 Ca 0.00 -4.01 -0.42 0.00 -1.81 0.00 0.00 57.70 51.47 1krx n MET 75 Cb 0.00 -1.96 -0.04 0.00 -0.71 0.00 0.00 33.22 30.52 1krx n MET 75 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 1krx n LEU 76 N -0.48 2.81 -4.63 4.03 -0.00 -1.26 -4.64 117.00 112.83 1krx n LEU 76 Ca 0.29 0.01 -0.44 0.00 -0.00 0.00 0.00 56.01 55.87 1krx n LEU 76 Cb 0.80 -1.52 -0.04 0.00 -0.00 0.00 0.00 43.42 42.66 1krx n LEU 76 CO 0.30 -0.96 1.67 -2.65 -0.00 0.00 0.00 177.39 175.75 1krx n PRO 77 N 8.78 2.32 -4.24 1.96 -0.02 -1.23 -4.10 135.00 138.47 1krx n PRO 77 Ca 0.34 0.79 -0.28 0.00 -2.02 0.00 0.00 63.50 62.32 1krx n PRO 77 Cb 0.45 -2.95 -0.09 0.00 -0.02 0.00 0.00 33.50 30.88 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 5.73 3.40 -0.13 -1.45 1.01 -1.26 0.81 120.40 128.50 1krx s VAL 78 Ca 0.95 -1.41 -0.04 0.00 0.00 0.00 0.00 61.98 61.48 1krx s VAL 78 Cb -0.50 -2.64 0.06 0.00 0.00 0.00 0.00 36.38 33.30 1krx s VAL 78 CO 0.43 0.00 0.15 -0.63 0.00 0.00 0.00 175.10 175.05 1krx s ILE 79 N -1.46 -0.22 -0.13 2.22 1.01 0.27 0.24 121.20 123.13 1krx s ILE 79 Ca 0.24 0.11 -0.15 0.00 0.00 0.00 0.00 60.65 60.84 1krx s ILE 79 Cb -0.10 -0.45 -0.05 0.00 0.01 0.00 0.00 42.46 41.87 1krx s ILE 79 CO 0.15 -0.05 0.37 -0.63 0.00 0.00 0.00 174.94 174.78 1krx s ILE 80 N 2.25 5.23 -1.36 2.92 -1.09 -1.17 0.11 121.20 128.10 1krx s ILE 80 Ca 0.04 0.73 0.23 0.00 -2.23 0.00 0.00 60.65 59.42 1krx s ILE 80 Cb -0.14 -3.71 0.37 0.00 -1.58 0.00 0.00 42.46 37.40 1krx s ILE 80 CO -0.08 0.39 1.76 1.15 -1.23 0.00 0.00 174.94 176.93 1krx n MET 81 N 3.38 0.28 -3.89 2.79 0.00 -0.72 0.81 117.12 119.77 1krx n MET 81 Ca -0.10 0.07 -0.09 0.00 0.00 0.00 0.00 57.70 57.58 1krx n MET 81 Cb 0.52 -1.50 -0.08 0.00 0.00 0.00 0.00 33.22 32.16 1krx n MET 81 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 1krx s THR 82 N -2.64 0.14 -0.32 3.17 2.01 -0.87 -0.51 115.64 116.63 1krx s THR 82 Ca 0.20 -1.17 0.18 0.00 0.31 0.00 0.00 61.69 61.21 1krx s THR 82 Cb 0.15 -1.20 0.46 0.00 0.01 0.00 0.00 72.50 71.93 1krx s THR 82 CO 0.36 -0.65 1.07 0.00 -0.69 0.00 0.00 174.62 174.72 1krx n ALA 83 N 0.25 2.92 -2.40 7.40 0.00 -1.26 -4.80 120.51 122.62 1krx n ALA 83 Ca -0.16 -2.70 -0.43 0.00 0.00 0.00 0.00 53.44 50.15 1krx n ALA 83 Cb 0.61 -0.93 -0.02 0.00 0.00 0.00 0.00 19.45 19.11 1krx n ALA 83 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1krx s HIS 84 N -2.69 2.44 0.22 0.00 3.76 -1.26 -4.79 115.29 112.97 1krx s HIS 84 Ca 0.25 0.64 0.00 0.00 -0.15 0.00 0.00 55.06 55.80 1krx s HIS 84 Cb 0.42 -4.36 0.00 0.00 1.11 0.00 0.00 32.58 29.75 1krx s HIS 84 CO -0.00 -1.86 0.00 0.43 -0.85 0.00 0.00 174.74 172.46 1krx n SER 85 N 8.83 -5.23 -0.63 1.40 7.64 -1.26 -4.77 113.62 119.61 1krx n SER 85 Ca 0.15 0.40 -0.08 0.00 1.01 0.00 0.00 58.87 60.35 1krx n SER 85 Cb 0.48 -2.97 -0.04 0.00 -1.01 0.00 0.00 64.21 60.68 1krx n SER 85 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1krx n ASP 86 N -4.35 -5.48 0.05 6.43 9.92 -1.26 -4.81 116.55 117.05 1krx n ASP 86 Ca 0.00 0.20 0.19 0.00 -0.53 0.00 0.00 54.79 54.66 1krx n ASP 86 Cb 0.60 -3.70 0.51 0.00 -0.64 0.00 0.00 41.12 37.90 1krx n ASP 86 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 1krx h LEU 87 N 0.00 0.00 -0.77 0.64 7.12 -1.86 -2.03 115.31 118.41 1krx h LEU 87 Ca -0.17 0.00 0.17 0.00 0.13 0.00 0.00 57.88 58.02 1krx h LEU 87 Cb 1.03 0.00 -0.12 0.00 -0.53 0.00 0.00 40.66 41.04 1krx h LEU 87 CO 0.25 0.00 0.18 0.44 -0.13 0.00 0.00 178.44 179.18 1krx h ASP 88 N 0.00 -0.01 1.37 1.25 3.32 -2.01 0.22 116.42 120.56 1krx h ASP 88 Ca 0.25 0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.46 1krx h ASP 88 Cb 1.89 0.22 0.00 0.00 0.22 0.00 0.00 39.33 41.66 1krx h ASP 88 CO -0.00 -0.07 0.00 0.00 -1.72 0.00 0.00 179.24 177.45 1krx h ALA 89 N 1.65 1.00 -0.73 3.45 0.00 -1.71 -3.09 119.26 119.83 1krx h ALA 89 Ca 0.44 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.39 1krx h ALA 89 Cb 0.79 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 1krx h ALA 89 CO -0.55 0.00 0.48 0.00 0.00 0.00 0.00 179.25 179.18 1krx h ALA 90 N 2.01 1.58 -0.47 0.00 0.00 -0.70 -0.85 119.26 120.82 1krx h ALA 90 Ca 0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1krx h ALA 90 Cb 0.68 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1krx h ALA 90 CO 0.00 0.35 -0.04 0.28 0.00 0.00 0.00 179.25 179.84 1krx h VAL 91 N 0.89 1.25 0.00 0.00 2.07 -1.53 -1.59 116.25 117.33 1krx h VAL 91 Ca 0.29 -1.08 -0.04 0.00 0.82 0.00 0.00 66.70 66.70 1krx h VAL 91 Cb 0.06 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1krx h VAL 91 CO -0.08 0.38 -0.18 0.28 0.02 0.00 0.00 177.57 177.99 1krx h SER 92 N 0.74 0.00 -0.15 0.57 0.02 -1.32 -2.79 113.55 110.62 1krx h SER 92 Ca 0.14 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1krx h SER 92 Cb 0.51 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 1krx h SER 92 CO 0.03 0.18 0.04 0.00 -1.14 0.00 0.00 176.83 175.94 1krx h ALA 93 N 1.82 0.20 0.00 3.77 0.00 -0.37 0.33 119.26 125.01 1krx h ALA 93 Ca -0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1krx h ALA 93 Cb 0.48 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1krx h ALA 93 CO 0.02 -0.17 -0.06 1.88 0.00 0.00 0.00 179.25 180.92 1krx h TYR 94 N 0.05 0.00 0.07 0.00 0.05 -1.35 1.11 116.97 116.91 1krx h TYR 94 Ca 0.05 0.00 -0.24 0.00 0.05 0.00 0.00 58.73 58.58 1krx h TYR 94 Cb 0.24 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.01 1krx h TYR 94 CO 0.00 0.06 -0.99 0.37 -1.05 0.00 0.00 178.16 176.55 1krx h GLN 95 N 0.00 0.55 0.00 4.88 4.15 -1.18 -3.26 115.11 120.26 1krx h GLN 95 Ca -0.00 -0.69 0.00 0.00 0.77 0.00 0.00 58.65 58.73 1krx h GLN 95 Cb 0.12 0.22 0.00 0.00 0.21 0.00 0.00 27.48 28.03 1krx h GLN 95 CO 0.01 1.29 0.00 -0.56 -1.93 0.00 0.00 178.83 177.63 1krx h GLN 96 N 0.13 0.00 0.00 1.69 -0.00 0.52 -3.46 115.11 113.99 1krx h GLN 96 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.51 1krx h GLN 96 Cb 1.69 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 29.17 1krx h GLN 96 CO 0.19 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.43 1krx n GLY 97 N 0.73 0.67 3.57 0.06 0.00 -0.06 -3.42 105.19 106.73 1krx n GLY 97 Ca 0.03 0.00 -0.34 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 n ALA 98 N 0.00 -1.08 -0.08 4.61 0.00 0.37 -3.53 120.51 120.80 1krx n ALA 98 Ca 0.00 -0.39 -0.14 0.00 0.00 0.00 0.00 53.44 52.91 1krx n ALA 98 Cb 0.00 -2.04 -0.08 0.00 0.00 0.00 0.00 19.45 17.33 1krx n ALA 98 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1krx h PHE 99 N -1.01 0.00 0.00 0.00 3.57 -0.50 -3.40 116.94 115.60 1krx h PHE 99 Ca -0.45 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.05 1krx h PHE 99 Cb 1.30 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.04 1krx h PHE 99 CO 0.42 0.87 0.00 -0.25 -2.23 0.00 0.00 178.31 177.12 1krx n ASP 100 N -4.55 0.00 -3.99 0.41 8.00 -1.17 -4.97 116.55 110.28 1krx n ASP 100 Ca -0.18 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.05 1krx n ASP 100 Cb 0.46 0.00 -0.17 0.00 -0.02 0.00 0.00 41.12 41.40 1krx n ASP 100 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1krx s TYR 101 N -3.00 1.65 -0.11 1.24 1.51 -1.26 -3.05 117.35 114.32 1krx s TYR 101 Ca 0.00 -0.76 -0.03 0.00 -1.01 0.00 0.00 57.07 55.27 1krx s TYR 101 Cb 0.00 -1.26 -0.03 0.00 -0.11 0.00 0.00 41.96 40.56 1krx s TYR 101 CO 0.00 -0.45 0.01 -1.17 -1.11 0.00 0.00 175.55 172.83 1krx s LEU 102 N 1.19 3.58 1.06 -1.29 2.96 0.24 -4.96 118.68 121.46 1krx s LEU 102 Ca -0.04 0.11 -0.16 0.00 -0.22 0.00 0.00 54.13 53.83 1krx s LEU 102 Cb -0.14 -1.84 0.10 0.00 0.50 0.00 0.00 46.19 44.82 1krx s LEU 102 CO -0.03 0.33 0.31 -0.81 -1.32 0.00 0.00 176.35 174.83 1krx n PRO 103 N 2.49 -1.19 -0.33 0.98 -0.04 -1.25 -2.05 135.00 133.61 1krx n PRO 103 Ca -0.18 -0.32 0.16 0.00 -0.04 0.00 0.00 63.50 63.12 1krx n PRO 103 Cb 0.53 -1.84 0.32 0.00 -0.04 0.00 0.00 33.50 32.47 1krx n PRO 103 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1krx h LYS 104 N -1.96 0.05 -6.43 0.54 3.11 -1.17 -3.40 116.57 107.30 1krx h LYS 104 Ca -0.51 -0.00 -0.52 0.00 -2.81 0.00 0.00 60.65 56.81 1krx h LYS 104 Cb 1.33 -0.01 0.23 0.00 -1.00 0.00 0.00 32.23 32.78 1krx h LYS 104 CO 0.38 0.03 -1.30 -2.30 -2.81 0.00 0.00 179.45 173.45 1krx n PRO 105 N -5.40 -0.37 0.00 1.90 -0.02 -1.26 -4.84 135.00 125.00 1krx n PRO 105 Ca 0.24 -0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1krx n PRO 105 Cb 0.79 -1.47 0.00 0.00 -0.02 0.00 0.00 33.50 32.81 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 -3.37 0.00 -0.61 6.00 7.35 -1.26 -4.90 117.46 120.68 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 0.58 0.00 -0.00 0.00 0.35 0.00 0.00 39.48 40.41 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 -1.08 -0.02 -2.13 5.68 -1.26 -1.06 116.55 116.67 1krx n ASP 107 Ca 0.00 0.08 -0.13 0.00 -0.50 0.00 0.00 54.79 54.25 1krx n ASP 107 Cb 0.00 -0.36 -0.08 0.00 -1.14 0.00 0.00 41.12 39.54 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 -0.07 1.30 -0.05 2.12 5.03 -1.96 0.17 117.51 124.04 1krx h ILE 108 Ca 0.00 -0.93 0.04 0.00 -0.12 0.00 0.00 64.86 63.85 1krx h ILE 108 Cb 0.07 1.79 -0.06 0.00 -3.03 0.00 0.00 36.82 35.60 1krx h ILE 108 CO 0.00 0.25 -0.33 0.44 -0.68 0.00 0.00 178.15 177.83 1krx h ASP 109 N -0.23 -1.02 0.85 1.72 3.32 -1.98 0.79 116.42 119.88 1krx h ASP 109 Ca 0.02 0.14 -0.20 0.00 0.02 0.00 0.00 57.03 57.01 1krx h ASP 109 Cb 0.41 0.42 -0.02 0.00 0.22 0.00 0.00 39.33 40.35 1krx h ASP 109 CO 0.01 -0.38 -0.93 -0.33 -1.72 0.00 0.00 179.24 175.89 1krx h GLU 110 N -0.46 0.04 0.00 3.56 4.39 -1.16 -2.81 114.58 118.15 1krx h GLU 110 Ca 0.07 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 1krx h GLU 110 Cb 0.57 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.24 1krx h GLU 110 CO -0.31 0.93 -0.13 0.00 -1.16 0.00 0.00 179.01 178.34 1krx h ALA 111 N 1.04 0.00 -0.90 3.43 0.00 0.98 -3.07 119.26 120.74 1krx h ALA 111 Ca -0.02 -0.15 0.22 0.00 0.00 0.00 0.00 54.91 54.96 1krx h ALA 111 Cb 1.62 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 19.47 1krx h ALA 111 CO 0.13 0.13 0.60 0.28 0.00 0.00 0.00 179.25 180.39 1krx h VAL 112 N -1.00 0.65 0.13 0.00 2.07 0.49 0.57 116.25 119.16 1krx h VAL 112 Ca -0.00 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 1krx h VAL 112 Cb 0.16 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.24 1krx h VAL 112 CO -0.00 0.06 -0.07 0.00 0.02 0.00 0.00 177.57 177.57 1krx h ALA 113 N 1.60 -0.19 0.00 1.67 0.00 -1.49 -1.53 119.26 119.33 1krx h ALA 113 Ca 0.46 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.31 1krx h ALA 113 Cb 1.29 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 1krx h ALA 113 CO -0.14 -0.61 -0.09 1.25 0.00 0.00 0.00 179.25 179.65 1krx h LEU 114 N -0.19 0.00 0.02 0.00 5.85 -0.62 -3.11 115.31 117.26 1krx h LEU 114 Ca -0.01 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 1krx h LEU 114 Cb 0.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.19 1krx h LEU 114 CO 0.02 0.09 -0.15 1.62 -0.34 0.00 0.00 178.44 179.68 1krx h VAL 115 N 0.00 1.72 0.21 1.05 3.04 0.28 -2.86 116.25 119.69 1krx h VAL 115 Ca -0.00 -2.32 -0.01 0.00 -1.01 0.00 0.00 66.70 63.36 1krx h VAL 115 Cb 0.87 3.29 0.00 0.00 -2.01 0.00 0.00 31.29 33.45 1krx h VAL 115 CO 0.01 0.61 -0.10 -0.33 -1.01 0.00 0.00 177.57 176.76 1krx h GLU 116 N -0.85 -0.27 0.00 4.17 5.08 -1.39 -0.80 114.58 120.52 1krx h GLU 116 Ca -0.03 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1krx h GLU 116 Cb 1.09 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 1krx h GLU 116 CO 0.03 -0.12 -0.03 0.07 -1.00 0.00 0.00 179.01 177.96 1krx h ARG 117 N -0.36 0.00 0.10 2.33 -0.00 -1.70 0.24 114.38 114.99 1krx h ARG 117 Ca -0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 59.95 1krx h ARG 117 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.25 1krx h ARG 117 CO 0.05 0.03 -0.05 0.00 -0.00 0.00 0.00 179.97 180.00 1krx h ALA 118 N 1.97 -0.13 -0.07 0.08 0.00 -1.16 -2.21 119.26 117.74 1krx h ALA 118 Ca -0.00 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 1krx h ALA 118 Cb 0.08 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1krx h ALA 118 CO 0.00 -0.21 -0.38 0.82 0.00 0.00 0.00 179.25 179.48 1krx h ILE 119 N -0.86 1.29 -0.35 0.00 2.04 -0.88 -0.56 117.51 118.19 1krx h ILE 119 Ca -0.01 -1.39 -0.05 0.00 1.00 0.00 0.00 64.86 64.41 1krx h ILE 119 Cb 0.57 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.30 1krx h ILE 119 CO 0.02 0.41 0.01 0.77 0.00 0.00 0.00 178.15 179.36 1krx h SER 120 N 0.12 0.59 0.82 1.72 4.64 -0.61 0.60 113.55 121.43 1krx h SER 120 Ca 0.01 -0.30 -0.14 0.00 -0.47 0.00 0.00 61.79 60.90 1krx h SER 120 Cb 0.73 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.64 1krx h SER 120 CO 0.05 0.75 -0.64 0.45 -0.87 0.00 0.00 176.83 176.57 1krx h HIS 121 N 0.42 0.00 0.07 4.77 3.86 -1.21 -3.32 115.15 119.74 1krx h HIS 121 Ca 0.10 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.31 1krx h HIS 121 Cb 0.44 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.91 1krx h HIS 121 CO 0.03 0.64 -0.04 -0.92 0.86 0.00 0.00 177.93 178.51 1krx h TYR 122 N 0.00 -0.09 -4.38 2.45 3.20 -0.92 -3.47 116.97 113.77 1krx h TYR 122 Ca -0.01 -0.00 -0.46 0.00 3.14 0.00 0.00 58.73 61.40 1krx h TYR 122 Cb 1.23 0.03 0.12 0.00 1.54 0.00 0.00 36.73 39.64 1krx h TYR 122 CO 0.00 0.18 0.40 -1.14 -1.64 0.00 0.00 178.16 175.96 1krx s GLN 123 N -2.16 1.58 0.00 1.82 2.00 0.21 -5.07 119.66 118.04 1krx s GLN 123 Ca -0.06 -0.07 0.00 0.00 -2.00 0.00 0.00 55.36 53.22 1krx s GLN 123 Cb -0.00 -1.93 0.00 0.00 0.80 0.00 0.00 33.01 31.87 1krx s GLN 123 CO 0.23 -1.82 0.00 -1.91 -0.50 0.00 0.00 175.29 171.29