#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 0.00 0.00 2.12 6.02 -1.26 -4.58 117.38 119.68 1krx n GLN 2 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1krx n GLN 2 Cb 0.00 -0.18 0.00 0.00 1.02 0.00 0.00 30.24 31.08 1krx n GLN 2 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1krx n ARG 3 N 0.00 0.00 -1.75 -1.09 3.00 -1.26 -4.56 116.66 111.00 1krx n ARG 3 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1krx n ARG 3 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1krx n ARG 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1krx n GLY 4 N 0.00 -0.29 3.33 5.14 0.00 -1.26 -4.65 105.19 107.46 1krx n GLY 4 Ca 0.00 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.01 4.05 -0.17 -0.61 -1.09 -1.26 0.13 121.20 119.23 1krx s ILE 5 Ca 0.01 -0.86 -0.02 0.00 -2.23 0.00 0.00 60.65 57.55 1krx s ILE 5 Cb -0.00 -3.19 -0.01 0.00 -1.58 0.00 0.00 42.46 37.68 1krx s ILE 5 CO 0.12 -0.07 -0.10 0.54 -1.23 0.00 0.00 174.94 174.19 1krx s VAL 6 N 1.48 3.06 -0.09 2.92 0.11 0.30 -0.58 120.40 127.61 1krx s VAL 6 Ca 0.01 -0.62 0.03 0.00 -2.93 0.00 0.00 61.98 58.47 1krx s VAL 6 Cb -0.18 -2.33 -0.01 0.00 -1.53 0.00 0.00 36.38 32.32 1krx s VAL 6 CO 0.04 0.48 -0.18 0.26 -3.33 0.00 0.00 175.10 172.37 1krx s TRP 7 N 0.94 2.65 -0.11 1.54 0.51 -0.93 -1.68 118.94 121.85 1krx s TRP 7 Ca -0.02 -0.64 0.03 0.00 -2.12 0.00 0.00 56.10 53.35 1krx s TRP 7 Cb -0.15 -1.71 -0.00 0.00 -0.81 0.00 0.00 33.47 30.80 1krx s TRP 7 CO -0.01 -0.17 -0.22 0.08 -0.51 0.00 0.00 176.95 176.12 1krx s VAL 8 N 0.00 2.20 -0.20 4.03 1.01 0.25 -0.76 120.40 126.93 1krx s VAL 8 Ca -0.06 -0.96 -0.00 0.00 0.00 0.00 0.00 61.98 60.96 1krx s VAL 8 Cb -0.15 -1.86 0.02 0.00 0.00 0.00 0.00 36.38 34.39 1krx s VAL 8 CO 0.05 0.55 -0.14 0.68 0.00 0.00 0.00 175.10 176.24 1krx s VAL 9 N 0.44 2.45 0.00 2.92 -7.23 0.95 -0.92 120.40 119.01 1krx s VAL 9 Ca -0.16 -0.90 0.00 0.00 -1.81 0.00 0.00 61.98 59.12 1krx s VAL 9 Cb -0.17 -2.11 0.00 0.00 0.56 0.00 0.00 36.38 34.66 1krx s VAL 9 CO 0.06 0.44 0.00 -0.67 -0.31 0.00 0.00 175.10 174.62 1krx n ASP 10 N 4.65 0.50 0.00 4.85 -0.08 -1.12 -0.54 116.55 124.81 1krx n ASP 10 Ca -0.19 0.00 0.04 0.00 -1.51 0.00 0.00 54.79 53.13 1krx n ASP 10 Cb 0.49 0.00 0.21 0.00 2.34 0.00 0.00 41.12 44.16 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 -1.26 -4.45 116.55 114.54 1krx n ASP 11 Ca 0.00 0.08 0.00 0.00 0.52 0.00 0.00 54.79 55.39 1krx n ASP 11 Cb 0.00 -0.22 0.00 0.00 -0.72 0.00 0.00 41.12 40.18 1krx n ASP 11 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1krx n ASP 12 N -1.22 0.00 0.00 1.67 -0.08 -1.26 -4.61 116.55 111.04 1krx n ASP 12 Ca 0.04 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.32 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 -2.11 0.00 0.33 1.67 2.88 -1.26 0.06 113.62 115.19 1krx n SER 13 Ca 0.00 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.37 1krx n SER 13 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 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 -0.94 -0.11 -3.46 0.02 -2.00 0.29 113.55 107.35 1krx h SER 14 Ca 0.00 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1krx h SER 14 Cb 0.00 0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 1krx h SER 14 CO 0.00 -0.57 0.06 0.40 -1.14 0.00 0.00 176.83 175.58 1krx h ILE 15 N -0.91 1.05 0.29 3.27 1.08 -0.69 -2.79 117.51 118.81 1krx h ILE 15 Ca -0.07 -0.16 -0.01 0.00 -0.39 0.00 0.00 64.86 64.23 1krx h ILE 15 Cb 0.74 0.89 0.00 0.00 -3.07 0.00 0.00 36.82 35.38 1krx h ILE 15 CO 0.06 0.06 -0.14 -0.09 -0.69 0.00 0.00 178.15 177.35 1krx h ARG 16 N 0.19 -0.37 -0.87 2.37 2.43 -1.35 -2.62 114.38 114.16 1krx h ARG 16 Ca 0.05 0.03 0.17 0.00 -0.81 0.00 0.00 59.98 59.42 1krx h ARG 16 Cb 0.03 0.08 -0.10 0.00 -0.42 0.00 0.00 29.97 29.56 1krx h ARG 16 CO -0.01 -0.09 0.44 2.35 -1.51 0.00 0.00 179.97 181.15 1krx h TRP 17 N -1.00 0.75 0.43 2.20 7.01 -0.34 1.10 115.95 126.09 1krx h TRP 17 Ca -0.04 0.04 -0.02 0.00 2.11 0.00 0.00 58.89 60.98 1krx h TRP 17 Cb 0.46 -0.20 0.00 0.00 -2.10 0.00 0.00 29.16 27.32 1krx h TRP 17 CO 0.04 0.11 -0.20 0.28 -2.79 0.00 0.00 178.44 175.88 1krx h VAL 18 N 0.56 0.18 0.00 2.65 2.07 -1.60 -3.11 116.25 116.99 1krx h VAL 18 Ca 0.50 -0.61 -0.05 0.00 0.82 0.00 0.00 66.70 67.36 1krx h VAL 18 Cb 0.80 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1krx h VAL 18 CO -0.41 0.04 -0.23 -0.07 0.02 0.00 0.00 177.57 176.91 1krx h LEU 19 N -1.10 0.00 0.66 2.57 -0.00 -1.25 -2.16 115.31 114.04 1krx h LEU 19 Ca -0.06 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.79 1krx h LEU 19 Cb 0.50 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.17 1krx h LEU 19 CO 0.10 0.23 -0.32 1.05 -0.00 0.00 0.00 178.44 179.50 1krx h GLU 20 N 0.00 -0.85 0.21 1.13 4.11 0.12 -2.70 114.58 116.59 1krx h GLU 20 Ca -0.00 0.06 -0.01 0.00 0.07 0.00 0.00 59.36 59.48 1krx h GLU 20 Cb 0.51 0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1krx h GLU 20 CO 0.03 -0.57 -0.10 0.00 0.07 0.00 0.00 179.01 178.44 1krx h ARG 21 N -1.23 -0.27 -0.10 1.06 2.47 -1.60 -2.42 114.38 112.30 1krx h ARG 21 Ca -0.09 0.02 0.04 0.00 -1.26 0.00 0.00 59.98 58.69 1krx h ARG 21 Cb 0.68 0.06 -0.06 0.00 -1.65 0.00 0.00 29.97 29.00 1krx h ARG 21 CO 0.15 0.11 -0.42 0.00 0.56 0.00 0.00 179.97 180.37 1krx h ALA 22 N -0.42 -0.62 0.00 0.04 0.00 -1.56 0.18 119.26 116.87 1krx h ALA 22 Ca -0.03 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1krx h ALA 22 Cb 0.50 0.78 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1krx h ALA 22 CO 0.05 -0.94 -0.02 1.25 0.00 0.00 0.00 179.25 179.59 1krx h LEU 23 N -0.52 0.00 -0.64 0.00 5.85 -1.62 0.01 115.31 118.40 1krx h LEU 23 Ca 0.07 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.66 1krx h LEU 23 Cb 0.63 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 1krx h LEU 23 CO -0.38 0.02 -0.32 0.00 -0.34 0.00 0.00 178.44 177.42 1krx h ALA 24 N 1.98 0.83 0.00 1.25 0.00 -0.21 -2.33 119.26 120.78 1krx h ALA 24 Ca -0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 1krx h ALA 24 Cb 0.05 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1krx h ALA 24 CO 0.00 0.64 -0.11 0.78 0.00 0.00 0.00 179.25 180.57 1krx h GLY 25 N 0.97 0.00 2.00 0.00 0.00 0.78 -1.38 103.07 105.45 1krx h GLY 25 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1krx h GLY 25 CO 0.07 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.61 1krx h ALA 26 N 1.89 1.00 0.00 3.60 0.00 -1.23 -3.47 119.26 121.06 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 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1krx h ALA 26 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1krx n GLY 27 N 0.85 1.66 3.36 0.00 0.00 -0.52 -5.13 105.19 105.42 1krx n GLY 27 Ca 0.04 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 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 1.82 -0.45 0.99 1.02 -1.16 -4.71 118.68 116.19 1krx s LEU 28 Ca 0.00 -1.38 -0.14 0.00 0.02 0.00 0.00 54.13 52.62 1krx s LEU 28 Cb 0.00 -0.12 0.07 0.00 0.02 0.00 0.00 46.19 46.16 1krx s LEU 28 CO 0.00 -0.69 0.35 -0.89 0.02 0.00 0.00 176.35 175.14 1krx s THR 29 N -3.60 5.03 -0.35 5.49 2.01 0.34 -3.99 115.64 120.57 1krx s THR 29 Ca 0.37 -1.08 -0.09 0.00 0.31 0.00 0.00 61.69 61.20 1krx s THR 29 Cb 0.08 -3.98 0.02 0.00 0.01 0.00 0.00 72.50 68.63 1krx s THR 29 CO 0.14 -0.52 0.16 0.00 -0.69 0.00 0.00 174.62 173.71 1krx s THR 31 N 1.52 2.25 0.21 0.00 -1.32 -0.68 -4.40 115.64 113.22 1krx s THR 31 Ca 0.02 -2.08 0.08 0.00 -1.21 0.00 0.00 61.69 58.49 1krx s THR 31 Cb -0.19 -2.09 -0.05 0.00 -1.51 0.00 0.00 72.50 68.66 1krx s THR 31 CO 0.05 -0.22 -0.15 0.42 -2.21 0.00 0.00 174.62 172.51 1krx s THR 32 N -1.94 1.80 0.30 5.08 -4.23 -1.25 0.86 115.64 116.26 1krx s THR 32 Ca 0.21 -2.23 0.03 0.00 -1.18 0.00 0.00 61.69 58.53 1krx s THR 32 Cb -0.07 -2.06 -0.04 0.00 1.34 0.00 0.00 72.50 71.67 1krx s THR 32 CO 0.10 -0.58 0.16 -0.36 -0.54 0.00 0.00 174.62 173.40 1krx s PHE 33 N -2.93 1.57 0.38 3.99 0.40 -0.10 -4.92 117.98 116.36 1krx s PHE 33 Ca 0.23 -1.39 0.07 0.00 -0.60 0.00 0.00 56.93 55.24 1krx s PHE 33 Cb -0.01 -0.82 0.74 0.00 0.51 0.00 0.00 43.02 43.44 1krx s PHE 33 CO 0.07 -0.55 1.94 1.05 0.70 0.00 0.00 175.22 178.43 1krx h GLU 34 N 2.25 0.42 -1.51 0.44 9.09 -1.89 -2.98 114.58 120.39 1krx h GLU 34 Ca -0.33 -0.07 0.34 0.00 0.05 0.00 0.00 59.36 59.35 1krx h GLU 34 Cb 1.25 -0.07 -0.11 0.00 -1.65 0.00 0.00 28.75 28.17 1krx h GLU 34 CO 0.51 0.43 0.87 1.21 0.05 0.00 0.00 179.01 182.08 1krx s ASN 35 N -6.79 -0.04 0.60 3.06 2.47 -1.26 -4.20 114.94 108.78 1krx s ASN 35 Ca -0.07 -0.13 0.28 0.00 0.42 0.00 0.00 52.86 53.36 1krx s ASN 35 Cb 0.16 0.14 1.39 0.00 -1.45 0.00 0.00 41.25 41.48 1krx s ASN 35 CO 0.74 -0.26 1.79 1.23 -3.72 0.00 0.00 177.10 176.89 1krx h GLY 36 N 2.00 0.00 0.86 1.21 0.00 -1.87 -0.25 103.07 105.03 1krx h GLY 36 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1krx h GLY 36 CO 0.29 0.00 -0.12 -0.57 0.00 0.00 0.00 176.54 176.14 1krx h ASN 37 N 0.00 -0.32 -0.31 0.19 -0.00 -1.94 -2.49 115.58 110.71 1krx h ASN 37 Ca 0.24 0.03 0.07 0.00 -0.00 0.00 0.00 56.30 56.64 1krx h ASN 37 Cb 1.44 0.11 -0.07 0.00 -0.00 0.00 0.00 38.32 39.80 1krx h ASN 37 CO -0.00 -0.19 -0.17 -0.08 -0.00 0.00 0.00 177.43 176.99 1krx h GLU 38 N -0.28 -0.12 -0.97 6.67 4.81 -1.43 0.39 114.58 123.65 1krx h GLU 38 Ca 0.00 0.01 0.23 0.00 -0.13 0.00 0.00 59.36 59.47 1krx h GLU 38 Cb 0.26 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.60 1krx h GLU 38 CO -0.02 -0.08 0.64 0.28 -0.73 0.00 0.00 179.01 179.09 1krx h VAL 39 N -0.13 0.61 -0.77 0.32 2.07 -1.52 0.36 116.25 117.19 1krx h VAL 39 Ca 0.16 -0.13 0.09 0.00 0.82 0.00 0.00 66.70 67.65 1krx h VAL 39 Cb 0.37 0.20 -0.07 0.00 -1.52 0.00 0.00 31.29 30.27 1krx h VAL 39 CO -0.39 0.07 0.42 -0.07 0.02 0.00 0.00 177.57 177.62 1krx h LEU 40 N 0.37 0.58 -0.10 2.57 3.38 -0.47 1.12 115.31 122.78 1krx h LEU 40 Ca 0.52 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.51 1krx h LEU 40 Cb 1.36 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 42.05 1krx h LEU 40 CO -0.21 0.33 -0.07 0.00 0.09 0.00 0.00 178.44 178.59 1krx h ALA 41 N 1.44 0.14 -0.52 1.53 0.00 -0.23 -2.87 119.26 118.75 1krx h ALA 41 Ca 0.38 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1krx h ALA 41 Cb 0.36 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1krx h ALA 41 CO -0.26 -0.06 0.22 0.00 0.00 0.00 0.00 179.25 179.15 1krx h ALA 42 N 0.61 1.41 0.00 0.00 0.00 -0.53 -2.16 119.26 118.59 1krx h ALA 42 Ca 0.02 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1krx h ALA 42 Cb 0.55 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1krx h ALA 42 CO 0.02 0.46 -0.18 -0.07 0.00 0.00 0.00 179.25 179.47 1krx h LEU 43 N 0.74 0.00 -1.57 0.00 3.38 0.13 -2.71 115.31 115.28 1krx h LEU 43 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1krx h LEU 43 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1krx h LEU 43 CO -0.02 0.18 0.00 0.00 0.09 0.00 0.00 178.44 178.69 1krx h ALA 44 N 1.82 1.00 0.00 1.53 0.00 -1.16 -2.00 119.26 120.46 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 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1krx h ALA 44 CO 0.02 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.70 1krx n SER 45 N -2.34 0.42 -3.65 0.00 7.64 -1.04 -5.09 113.62 109.57 1krx n SER 45 Ca -0.02 -0.71 -0.05 0.00 1.01 0.00 0.00 58.87 59.10 1krx n SER 45 Cb 0.04 0.42 -0.02 0.00 -1.01 0.00 0.00 64.21 63.64 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 -0.42 1.02 -0.05 1.43 2.47 -0.75 -5.16 119.74 118.29 1krx s LYS 46 Ca 0.00 -0.50 -0.02 0.00 -1.56 0.00 0.00 55.97 53.89 1krx s LYS 46 Cb 0.00 0.39 0.03 0.00 -1.46 0.00 0.00 37.83 36.79 1krx s LYS 46 CO 0.00 -0.46 0.04 0.99 0.16 0.00 0.00 175.35 176.08 1krx s THR 47 N -3.20 0.03 0.65 3.43 2.01 -1.26 -3.85 115.64 113.44 1krx s THR 47 Ca 0.09 0.33 -0.11 0.00 0.31 0.00 0.00 61.69 62.32 1krx s THR 47 Cb -0.01 -0.25 -0.01 0.00 0.01 0.00 0.00 72.50 72.24 1krx s THR 47 CO -0.02 0.19 1.04 -2.16 -0.69 0.00 0.00 174.62 172.98 1krx s PRO 48 N 2.02 3.26 0.30 4.92 0.04 -1.26 -4.98 135.00 139.30 1krx s PRO 48 Ca 0.04 0.57 0.14 0.00 0.04 0.00 0.00 61.00 61.79 1krx s PRO 48 Cb -0.12 -2.08 0.39 0.00 0.04 0.00 0.00 34.50 32.73 1krx s PRO 48 CO -0.03 -0.75 1.60 -0.44 0.04 0.00 0.00 177.00 177.41 1krx h ASP 49 N -0.43 0.00 -5.08 6.66 3.32 -1.19 -3.45 116.42 116.25 1krx h ASP 49 Ca -0.45 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.49 1krx h ASP 49 Cb 1.22 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.60 1krx h ASP 49 CO 0.63 0.55 -0.46 0.54 -1.72 0.00 0.00 179.24 178.78 1krx s VAL 50 N -3.43 0.12 -0.18 -1.35 0.11 -1.02 -4.68 120.40 109.97 1krx s VAL 50 Ca 0.00 -1.01 -0.14 0.00 -2.93 0.00 0.00 61.98 57.90 1krx s VAL 50 Cb 0.11 -0.91 0.05 0.00 -1.53 0.00 0.00 36.38 34.10 1krx s VAL 50 CO 0.74 -0.56 0.46 -0.22 -3.33 0.00 0.00 175.10 172.20 1krx s LEU 51 N -2.13 0.07 -0.20 2.54 2.96 -0.57 -2.19 118.68 119.16 1krx s LEU 51 Ca -0.05 0.96 -0.04 0.00 -0.22 0.00 0.00 54.13 54.79 1krx s LEU 51 Cb -0.01 1.58 -0.01 0.00 0.50 0.00 0.00 46.19 48.25 1krx s LEU 51 CO -0.04 -0.18 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.00 1krx s LEU 52 N 0.64 2.95 -0.10 -0.68 1.43 0.06 0.14 118.68 123.11 1krx s LEU 52 Ca -0.03 -0.34 -0.03 0.00 -1.03 0.00 0.00 54.13 52.71 1krx s LEU 52 Cb -0.05 -1.74 -0.03 0.00 0.03 0.00 0.00 46.19 44.40 1krx s LEU 52 CO -0.04 0.03 0.00 -0.44 0.23 0.00 0.00 176.35 176.13 1krx s SER 53 N 1.19 5.23 0.98 2.29 0.01 0.26 -0.04 113.70 123.62 1krx s SER 53 Ca 0.02 0.11 -0.13 0.00 1.31 0.00 0.00 55.95 57.26 1krx s SER 53 Cb -0.14 -1.56 0.18 0.00 0.21 0.00 0.00 66.02 64.71 1krx s SER 53 CO -0.01 0.34 1.13 -0.62 0.41 0.00 0.00 173.24 174.49 1krx s ASP 54 N -0.63 2.87 -0.36 2.44 2.15 0.30 -2.87 116.67 120.57 1krx s ASP 54 Ca 0.10 0.95 0.06 0.00 0.43 0.00 0.00 52.55 54.09 1krx s ASP 54 Cb -0.12 -1.48 0.18 0.00 -0.30 0.00 0.00 42.92 41.20 1krx s ASP 54 CO 0.02 -2.95 0.57 -0.51 -0.17 0.00 0.00 175.17 172.13 1krx s ILE 55 N -3.18 -0.89 -0.31 4.11 2.07 -1.26 -4.76 121.20 116.97 1krx s ILE 55 Ca 0.66 -0.14 0.16 0.00 -1.41 0.00 0.00 60.65 59.92 1krx s ILE 55 Cb -0.15 -0.44 0.47 0.00 0.13 0.00 0.00 42.46 42.47 1krx s ILE 55 CO 0.55 -0.09 1.08 -1.14 -1.91 0.00 0.00 174.94 173.43 1krx n ARG 56 N 4.76 2.22 -3.50 3.50 0.63 -1.21 -4.82 116.66 118.25 1krx n ARG 56 Ca 0.08 -3.73 -0.20 0.00 -0.92 0.00 0.00 57.85 53.09 1krx n ARG 56 Cb 0.54 -1.75 0.09 0.00 0.45 0.00 0.00 32.46 31.79 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 -0.46 -7.13 0.00 -0.14 0.00 0.89 -4.90 117.12 105.38 1krx n MET 57 Ca 0.20 0.84 0.00 0.00 0.00 0.00 0.00 57.70 58.74 1krx n MET 57 Cb 0.82 -5.87 0.00 0.00 0.00 0.00 0.00 33.22 28.17 1krx n MET 57 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 1krx n PRO 58 N -4.47 0.00 -0.03 2.12 -0.04 -1.26 -4.58 135.00 126.73 1krx n PRO 58 Ca -0.17 0.33 -0.02 0.00 -0.04 0.00 0.00 63.50 63.59 1krx n PRO 58 Cb 0.63 -1.05 -0.06 0.00 -0.04 0.00 0.00 33.50 32.98 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 0.84 -0.39 2.62 0.55 0.00 -1.26 -4.85 105.19 102.70 1krx n GLY 59 Ca 0.00 -0.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 1krx n GLY 59 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1krx n MET 60 N -2.18 0.90 0.00 1.61 0.00 -1.26 -4.92 117.12 111.27 1krx n MET 60 Ca -0.10 -2.16 0.00 0.00 -0.00 0.00 0.00 57.70 55.43 1krx n MET 60 Cb 0.64 -1.28 0.00 0.00 0.00 0.00 0.00 33.22 32.58 1krx n MET 60 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 1krx n ASP 61 N 0.89 0.00 0.00 6.12 -0.08 -1.26 -2.18 116.55 120.04 1krx n ASP 61 Ca 0.11 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.39 1krx n ASP 61 Cb 0.65 -0.13 0.00 0.00 2.34 0.00 0.00 41.12 43.98 1krx n ASP 61 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1krx n GLY 62 N -1.03 1.30 0.28 0.27 0.00 -1.26 -0.08 105.19 104.67 1krx n GLY 62 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.93 0.99 4.07 -1.74 -2.76 115.31 113.95 1krx h LEU 63 Ca 0.00 0.00 0.18 0.00 0.08 0.00 0.00 57.88 58.14 1krx h LEU 63 Cb 0.00 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.71 1krx h LEU 63 CO 0.00 0.00 0.47 0.00 -1.08 0.00 0.00 178.44 177.83 1krx h ALA 64 N 2.01 2.53 -0.18 1.53 0.00 -1.89 0.16 119.26 123.42 1krx h ALA 64 Ca 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1krx h ALA 64 Cb 0.50 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1krx h ALA 64 CO 0.00 -0.72 0.10 1.25 0.00 0.00 0.00 179.25 179.89 1krx h LEU 65 N 0.07 0.17 -0.93 0.00 7.12 -1.82 -1.94 115.31 117.98 1krx h LEU 65 Ca 0.32 0.00 0.22 0.00 0.13 0.00 0.00 57.88 58.55 1krx h LEU 65 Cb 1.17 -0.04 -0.12 0.00 -0.53 0.00 0.00 40.66 41.14 1krx h LEU 65 CO -0.03 0.13 0.47 -0.07 -0.13 0.00 0.00 178.44 178.81 1krx h LEU 66 N 0.22 0.48 -0.66 2.25 -0.00 -0.87 0.34 115.31 117.07 1krx h LEU 66 Ca 0.07 0.14 0.03 0.00 -0.00 0.00 0.00 57.88 58.11 1krx h LEU 66 Cb -0.01 0.08 -0.04 0.00 -0.00 0.00 0.00 40.66 40.69 1krx h LEU 66 CO -0.03 0.07 0.41 0.50 -0.00 0.00 0.00 178.44 179.39 1krx h LYS 67 N 0.50 0.78 -0.74 1.13 3.64 -1.22 -1.94 116.57 118.71 1krx h LYS 67 Ca 0.58 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.87 1krx h LYS 67 Cb 1.06 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.67 1krx h LYS 67 CO -0.49 0.52 0.32 1.96 -2.27 0.00 0.00 179.45 179.49 1krx h GLN 68 N 0.81 1.08 -0.99 1.90 1.08 -0.12 -2.82 115.11 116.05 1krx h GLN 68 Ca 0.26 -0.17 0.06 0.00 -1.45 0.00 0.00 58.65 57.35 1krx h GLN 68 Cb 0.01 -0.19 -0.07 0.00 -0.05 0.00 0.00 27.48 27.19 1krx h GLN 68 CO -0.10 0.86 0.64 0.82 -0.95 0.00 0.00 178.83 180.10 1krx h ILE 69 N 1.06 1.09 0.00 2.54 2.04 -0.42 -1.95 117.51 121.87 1krx h ILE 69 Ca 0.25 -0.40 -0.05 0.00 1.00 0.00 0.00 64.86 65.66 1krx h ILE 69 Cb 0.17 -0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.07 1krx h ILE 69 CO -0.03 0.21 -0.23 0.07 0.00 0.00 0.00 178.15 178.17 1krx h LYS 70 N 1.17 0.00 -0.40 2.37 5.09 -1.29 -0.34 116.57 123.17 1krx h LYS 70 Ca 0.42 0.00 -0.06 0.00 0.09 0.00 0.00 60.65 61.10 1krx h LYS 70 Cb 0.15 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.47 1krx h LYS 70 CO -0.17 0.23 0.00 1.96 -2.09 0.00 0.00 179.45 179.39 1krx h GLN 71 N 0.00 0.71 0.00 0.07 4.20 -1.11 -3.33 115.11 115.65 1krx h GLN 71 Ca -0.00 -0.22 -0.37 0.00 0.06 0.00 0.00 58.65 58.11 1krx h GLN 71 Cb 1.10 -0.06 -0.07 0.00 0.30 0.00 0.00 27.48 28.74 1krx h GLN 71 CO 0.03 0.79 -2.36 0.54 -0.67 0.00 0.00 178.83 177.16 1krx n ARG 72 N -4.44 0.68 -4.77 1.46 5.12 -1.15 -4.95 116.66 108.61 1krx n ARG 72 Ca -0.01 0.04 -0.33 0.00 -1.93 0.00 0.00 57.85 55.62 1krx n ARG 72 Cb 0.29 -1.54 -0.13 0.00 -1.16 0.00 0.00 32.46 29.92 1krx n ARG 72 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 1krx s HIS 73 N -2.50 2.81 0.02 -1.55 0.09 -0.14 -5.06 115.29 108.96 1krx s HIS 73 Ca -0.14 -0.17 -0.06 0.00 -0.00 0.00 0.00 55.06 54.68 1krx s HIS 73 Cb 0.07 -1.70 -0.03 0.00 -0.00 0.00 0.00 32.58 30.92 1krx s HIS 73 CO 0.79 0.17 1.10 -1.35 -0.00 0.00 0.00 174.74 175.45 1krx h PRO 74 N 5.55 -0.13 -0.79 8.40 0.11 -1.80 -3.31 132.00 140.04 1krx h PRO 74 Ca -0.44 0.01 -0.33 0.00 0.11 0.00 0.00 66.00 65.35 1krx h PRO 74 Cb 1.17 0.03 -0.29 0.00 0.11 0.00 0.00 31.00 32.01 1krx h PRO 74 CO 0.52 -0.08 -0.85 -1.33 -0.21 0.00 0.00 178.00 176.04 1krx n MET 75 N -3.04 1.10 -1.60 1.05 2.81 -1.24 -4.49 117.12 111.71 1krx n MET 75 Ca -0.01 -2.69 -0.48 0.00 -1.81 0.00 0.00 57.70 52.71 1krx n MET 75 Cb 0.08 -0.99 -0.05 0.00 -0.71 0.00 0.00 33.22 31.55 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 -0.07 3.08 -4.68 4.03 -0.00 -1.26 -4.47 117.00 113.63 1krx n LEU 76 Ca 0.09 0.64 -0.50 0.00 -0.00 0.00 0.00 56.01 56.24 1krx n LEU 76 Cb 0.78 -1.39 -0.05 0.00 -0.00 0.00 0.00 43.42 42.75 1krx n LEU 76 CO 0.13 -0.37 1.41 -0.81 -0.00 0.00 0.00 177.39 177.74 1krx n PRO 77 N 7.59 1.94 -4.26 1.96 -0.04 -1.26 -3.79 135.00 137.14 1krx n PRO 77 Ca 0.29 0.71 -0.21 0.00 -0.04 0.00 0.00 63.50 64.25 1krx n PRO 77 Cb 0.32 -2.51 -0.12 0.00 -0.04 0.00 0.00 33.50 31.14 1krx n PRO 77 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1krx s VAL 78 N 3.51 1.39 -0.10 0.52 1.01 -1.24 -1.51 120.40 123.98 1krx s VAL 78 Ca 0.92 -1.37 -0.02 0.00 0.00 0.00 0.00 61.98 61.50 1krx s VAL 78 Cb -0.77 -1.29 0.04 0.00 0.00 0.00 0.00 36.38 34.36 1krx s VAL 78 CO 0.53 -0.11 0.04 -0.63 0.00 0.00 0.00 175.10 174.92 1krx s ILE 79 N -1.17 0.18 0.07 2.22 1.09 0.36 0.13 121.20 124.08 1krx s ILE 79 Ca 0.02 0.05 -0.13 0.00 -1.10 0.00 0.00 60.65 59.50 1krx s ILE 79 Cb -0.10 -0.51 -0.06 0.00 -1.06 0.00 0.00 42.46 40.73 1krx s ILE 79 CO 0.03 0.07 0.45 -0.63 -0.10 0.00 0.00 174.94 174.76 1krx s ILE 80 N 2.04 4.99 -1.03 2.92 -1.09 -1.08 0.90 121.20 128.85 1krx s ILE 80 Ca 0.04 0.72 0.28 0.00 -2.23 0.00 0.00 60.65 59.46 1krx s ILE 80 Cb -0.14 -3.71 0.22 0.00 -1.58 0.00 0.00 42.46 37.25 1krx s ILE 80 CO -0.06 0.40 1.84 1.15 -1.23 0.00 0.00 174.94 177.04 1krx n MET 81 N 1.25 0.03 -3.81 2.79 0.00 -1.14 -0.68 117.12 115.56 1krx n MET 81 Ca -0.10 -0.01 -0.12 0.00 0.00 0.00 0.00 57.70 57.48 1krx n MET 81 Cb 0.52 -1.50 -0.09 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 -2.97 0.08 -0.48 3.17 2.01 -0.53 -0.93 115.64 115.98 1krx s THR 82 Ca 0.14 -0.70 0.05 0.00 0.31 0.00 0.00 61.69 61.50 1krx s THR 82 Cb 0.19 -0.73 0.23 0.00 0.01 0.00 0.00 72.50 72.19 1krx s THR 82 CO 0.56 -0.39 0.87 0.00 -0.69 0.00 0.00 174.62 174.97 1krx n ALA 83 N 0.99 -1.79 0.02 7.40 0.00 -1.26 -4.72 120.51 121.14 1krx n ALA 83 Ca -0.20 -1.16 0.09 0.00 0.00 0.00 0.00 53.44 52.17 1krx n ALA 83 Cb 0.57 -1.58 -0.12 0.00 0.00 0.00 0.00 19.45 18.33 1krx n ALA 83 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1krx n HIS 84 N 2.08 0.33 -3.83 0.00 1.44 -1.26 -4.98 115.22 109.00 1krx n HIS 84 Ca 0.11 0.10 -0.08 0.00 -2.01 0.00 0.00 57.72 55.84 1krx n HIS 84 Cb 0.61 -0.70 0.01 0.00 0.12 0.00 0.00 29.99 30.03 1krx n HIS 84 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 1krx s SER 85 N -4.90 -0.08 -1.32 4.39 0.01 -1.26 -4.93 113.70 105.61 1krx s SER 85 Ca -0.06 -0.97 0.00 0.00 1.31 0.00 0.00 55.95 56.24 1krx s SER 85 Cb 0.12 0.81 0.00 0.00 0.21 0.00 0.00 66.02 67.16 1krx s SER 85 CO 0.86 -1.57 0.00 -0.67 0.41 0.00 0.00 173.24 172.27 1krx n ASP 86 N -1.08 -4.53 0.28 2.44 2.03 -1.26 -4.78 116.55 109.64 1krx n ASP 86 Ca -0.07 0.14 0.14 0.00 0.52 0.00 0.00 54.79 55.53 1krx n ASP 86 Cb 0.60 -3.84 0.66 0.00 -0.72 0.00 0.00 41.12 37.81 1krx n ASP 86 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1krx h LEU 87 N 0.00 0.00 -0.50 -2.67 -0.00 -1.94 -2.48 115.31 107.72 1krx h LEU 87 Ca -0.36 0.00 0.10 0.00 -0.00 0.00 0.00 57.88 57.62 1krx h LEU 87 Cb 1.25 0.00 -0.10 0.00 -0.00 0.00 0.00 40.66 41.80 1krx h LEU 87 CO 0.43 0.00 -0.26 0.44 -0.00 0.00 0.00 178.44 179.05 1krx h ASP 88 N 0.00 -0.89 0.85 -0.43 3.32 -2.02 0.39 116.42 117.63 1krx h ASP 88 Ca 0.05 0.19 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1krx h ASP 88 Cb 1.04 0.46 0.00 0.00 0.22 0.00 0.00 39.33 41.05 1krx h ASP 88 CO -0.00 -0.27 0.00 0.00 -1.72 0.00 0.00 179.24 177.25 1krx h ALA 89 N 1.12 1.00 0.30 3.45 0.00 -1.82 -2.91 119.26 120.40 1krx h ALA 89 Ca 0.23 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1krx h ALA 89 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1krx h ALA 89 CO -0.59 0.00 -0.14 0.00 0.00 0.00 0.00 179.25 178.52 1krx h ALA 90 N 2.01 -0.40 -0.43 0.00 0.00 -0.38 -1.06 119.26 118.99 1krx h ALA 90 Ca 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1krx h ALA 90 Cb 0.42 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1krx h ALA 90 CO 0.00 -0.56 0.21 0.28 0.00 0.00 0.00 179.25 179.18 1krx h VAL 91 N -0.74 1.17 0.00 0.00 2.07 -1.35 -1.18 116.25 116.22 1krx h VAL 91 Ca -0.04 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 1krx h VAL 91 Cb 0.50 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1krx h VAL 91 CO 0.07 0.19 -0.02 0.77 0.02 0.00 0.00 177.57 178.59 1krx h SER 92 N 0.55 0.00 -0.03 0.57 4.64 -1.56 -1.93 113.55 115.80 1krx h SER 92 Ca 0.15 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.48 1krx h SER 92 Cb 0.11 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 1krx h SER 92 CO -0.02 0.02 -0.02 0.00 -0.87 0.00 0.00 176.83 175.94 1krx h ALA 93 N 1.98 0.01 -0.39 5.18 0.00 0.09 0.36 119.26 126.49 1krx h ALA 93 Ca -0.00 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1krx h ALA 93 Cb 0.05 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1krx h ALA 93 CO 0.00 -0.51 0.26 1.88 0.00 0.00 0.00 179.25 180.88 1krx h TYR 94 N -0.02 0.46 -0.25 0.00 0.05 -1.18 1.78 116.97 117.81 1krx h TYR 94 Ca 0.02 0.01 -0.20 0.00 0.05 0.00 0.00 58.73 58.61 1krx h TYR 94 Cb 0.05 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 37.64 1krx h TYR 94 CO -0.11 0.28 -0.61 0.37 -1.05 0.00 0.00 178.16 177.04 1krx h GLN 95 N 0.49 0.84 -0.01 4.88 4.15 -1.06 -3.20 115.11 121.21 1krx h GLN 95 Ca 0.15 -0.57 0.00 0.00 0.77 0.00 0.00 58.65 58.99 1krx h GLN 95 Cb -0.00 0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.77 1krx h GLN 95 CO -0.03 1.20 -0.49 0.00 -1.93 0.00 0.00 178.83 177.57 1krx n GLN 96 N -3.98 0.49 0.00 1.69 10.64 0.12 -4.93 117.38 121.40 1krx n GLN 96 Ca -0.05 -0.33 0.00 0.00 -1.83 0.00 0.00 57.00 54.79 1krx n GLN 96 Cb 0.66 -1.49 0.00 0.00 -0.86 0.00 0.00 30.24 28.55 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 0.66 3.64 2.61 0.00 0.60 -3.60 105.19 110.52 1krx n GLY 97 Ca 0.08 -0.23 -0.08 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.03 -0.07 4.61 0.00 -0.51 -3.92 121.76 119.83 1krx s ALA 98 Ca 0.00 1.88 -0.21 0.00 0.00 0.00 0.00 51.96 53.63 1krx s ALA 98 Cb 0.00 -1.51 -0.16 0.00 0.00 0.00 0.00 23.12 21.45 1krx s ALA 98 CO 0.00 -0.23 0.78 0.35 0.00 0.00 0.00 175.76 176.67 1krx h PHE 99 N 4.22 -0.12 0.00 0.00 3.57 0.70 -3.34 116.94 121.97 1krx h PHE 99 Ca -0.28 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.22 1krx h PHE 99 Cb 1.18 0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.96 1krx h PHE 99 CO 0.29 0.39 0.00 -0.40 -2.23 0.00 0.00 178.31 176.36 1krx n ASP 100 N -4.84 0.00 -4.35 0.41 5.75 -1.13 -4.94 116.55 107.45 1krx n ASP 100 Ca -0.07 0.00 -0.25 0.00 -0.01 0.00 0.00 54.79 54.46 1krx n ASP 100 Cb 0.28 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.25 1krx n ASP 100 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1krx s TYR 101 N -3.00 2.00 -0.03 2.11 1.51 -1.26 -2.64 117.35 116.04 1krx s TYR 101 Ca 0.00 -0.41 -0.04 0.00 -1.01 0.00 0.00 57.07 55.61 1krx s TYR 101 Cb 0.00 -1.03 0.01 0.00 -0.11 0.00 0.00 41.96 40.82 1krx s TYR 101 CO 0.00 0.34 0.10 -0.48 -1.11 0.00 0.00 175.55 174.40 1krx s LEU 102 N -2.37 1.65 1.05 -1.29 0.05 0.15 -4.92 118.68 112.98 1krx s LEU 102 Ca 0.14 0.07 -0.16 0.00 0.05 0.00 0.00 54.13 54.23 1krx s LEU 102 Cb -0.08 0.40 0.06 0.00 -2.05 0.00 0.00 46.19 44.52 1krx s LEU 102 CO 0.07 -0.12 0.12 -2.65 -0.55 0.00 0.00 176.35 173.21 1krx n PRO 103 N 2.60 -0.99 -0.34 1.48 -0.02 -1.25 -1.46 135.00 135.01 1krx n PRO 103 Ca -0.15 -0.26 0.03 0.00 -2.02 0.00 0.00 63.50 61.10 1krx n PRO 103 Cb 0.58 -1.73 0.10 0.00 -0.02 0.00 0.00 33.50 32.43 1krx n PRO 103 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1krx h LYS 104 N -1.81 -0.01 -6.46 -0.52 1.63 -1.42 -3.39 116.57 104.58 1krx h LYS 104 Ca -0.49 0.00 -0.51 0.00 -0.85 0.00 0.00 60.65 58.80 1krx h LYS 104 Cb 1.33 0.00 0.23 0.00 -0.60 0.00 0.00 32.23 33.19 1krx h LYS 104 CO 0.36 -0.01 -1.34 -0.35 -3.45 0.00 0.00 179.45 174.67 1krx n PRO 105 N -5.56 -0.53 0.00 1.90 -0.04 -1.26 -4.84 135.00 124.66 1krx n PRO 105 Ca 0.13 -0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1krx n PRO 105 Cb 0.45 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 1krx n PRO 105 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1krx n PHE 106 N -3.56 0.00 -1.48 0.54 1.16 -1.26 -4.91 117.46 107.95 1krx n PHE 106 Ca 0.02 0.00 0.03 0.00 -1.87 0.00 0.00 57.45 55.63 1krx n PHE 106 Cb 0.60 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.46 1krx n PHE 106 CO 0.00 0.00 0.00 -0.40 -1.87 0.00 0.00 176.76 174.49 1krx n ASP 107 N 0.00 -2.99 -0.01 5.98 5.68 -1.26 0.61 116.55 124.55 1krx n ASP 107 Ca 0.00 0.28 -0.10 0.00 -0.50 0.00 0.00 54.79 54.47 1krx n ASP 107 Cb 0.00 -0.90 -0.04 0.00 -1.14 0.00 0.00 41.12 39.04 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 -0.24 0.89 0.05 2.12 5.03 -1.95 1.17 117.51 124.58 1krx h ILE 108 Ca 0.01 -0.00 0.02 0.00 -0.12 0.00 0.00 64.86 64.76 1krx h ILE 108 Cb 0.23 0.88 -0.05 0.00 -3.03 0.00 0.00 36.82 34.85 1krx h ILE 108 CO 0.00 0.00 -0.49 -0.78 -0.68 0.00 0.00 178.15 176.20 1krx h ASP 109 N 0.01 -1.48 1.07 1.72 3.58 -1.98 0.88 116.42 120.21 1krx h ASP 109 Ca 0.06 0.17 -0.19 0.00 0.42 0.00 0.00 57.03 57.48 1krx h ASP 109 Cb 0.08 0.56 -0.03 0.00 1.72 0.00 0.00 39.33 41.67 1krx h ASP 109 CO -0.12 -0.51 -0.95 -0.33 -2.88 0.00 0.00 179.24 174.44 1krx h GLU 110 N -0.67 0.00 0.05 0.28 4.39 0.24 -2.85 114.58 116.02 1krx h GLU 110 Ca 0.02 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.57 1krx h GLU 110 Cb 0.71 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.36 1krx h GLU 110 CO -0.32 0.82 -0.75 0.00 -1.16 0.00 0.00 179.01 177.60 1krx h ALA 111 N 1.13 0.09 -0.23 3.43 0.00 0.23 -3.04 119.26 120.87 1krx h ALA 111 Ca -0.04 -0.83 -0.02 0.00 0.00 0.00 0.00 54.91 54.02 1krx h ALA 111 Cb 1.69 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.77 1krx h ALA 111 CO 0.11 0.41 0.04 0.28 0.00 0.00 0.00 179.25 180.09 1krx h VAL 112 N -0.75 1.13 0.02 0.00 2.07 0.74 0.23 116.25 119.68 1krx h VAL 112 Ca -0.17 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 66.90 1krx h VAL 112 Cb 1.34 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 32.02 1krx h VAL 112 CO -0.01 0.16 -0.02 0.00 0.02 0.00 0.00 177.57 177.71 1krx h ALA 113 N 1.72 -0.04 0.00 1.67 0.00 -1.51 -1.51 119.26 119.60 1krx h ALA 113 Ca 0.08 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1krx h ALA 113 Cb 0.16 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1krx h ALA 113 CO -0.00 -0.53 -0.09 1.25 0.00 0.00 0.00 179.25 179.88 1krx h LEU 114 N -0.05 0.00 0.04 0.00 5.85 -1.26 -2.92 115.31 116.97 1krx h LEU 114 Ca 0.00 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 1krx h LEU 114 Cb 0.05 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.09 1krx h LEU 114 CO -0.01 0.09 -0.27 1.62 -0.34 0.00 0.00 178.44 179.53 1krx h VAL 115 N 0.00 1.69 -0.64 1.05 3.04 -0.22 -2.88 116.25 118.28 1krx h VAL 115 Ca -0.00 -2.36 -0.09 0.00 -1.01 0.00 0.00 66.70 63.24 1krx h VAL 115 Cb 0.85 3.27 -0.02 0.00 -2.01 0.00 0.00 31.29 33.38 1krx h VAL 115 CO 0.01 0.63 0.05 -0.33 -1.01 0.00 0.00 177.57 176.93 1krx h GLU 116 N -0.76 1.10 0.00 4.17 5.08 -1.38 -2.09 114.58 120.70 1krx h GLU 116 Ca -0.05 -0.32 -0.02 0.00 -1.00 0.00 0.00 59.36 57.97 1krx h GLU 116 Cb 1.19 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 1krx h GLU 116 CO 0.05 1.04 -0.10 0.00 -1.00 0.00 0.00 179.01 179.00 1krx h ARG 117 N 1.02 0.00 -0.01 2.33 3.08 -1.64 -1.24 114.38 117.92 1krx h ARG 117 Ca 0.19 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.22 1krx h ARG 117 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1krx h ARG 117 CO 0.02 0.10 -0.09 0.00 -1.07 0.00 0.00 179.97 178.94 1krx h ALA 118 N 1.90 0.02 -0.03 0.04 0.00 -1.15 -1.59 119.26 118.44 1krx h ALA 118 Ca -0.00 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.42 1krx h ALA 118 Cb 0.35 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1krx h ALA 118 CO 0.01 -0.05 -0.39 0.82 0.00 0.00 0.00 179.25 179.65 1krx h ILE 119 N -0.64 1.29 -0.16 0.00 2.04 -1.27 0.11 117.51 118.87 1krx h ILE 119 Ca -0.01 -1.37 -0.22 0.00 1.00 0.00 0.00 64.86 64.26 1krx h ILE 119 Cb 0.83 1.69 0.01 0.00 -0.74 0.00 0.00 36.82 38.61 1krx h ILE 119 CO 0.02 0.40 -0.77 0.28 0.00 0.00 0.00 178.15 178.08 1krx h SER 120 N 0.06 0.96 0.97 1.72 0.02 -1.28 -1.97 113.55 114.03 1krx h SER 120 Ca 0.00 -0.62 -0.17 0.00 -0.84 0.00 0.00 61.79 60.16 1krx h SER 120 Cb 0.71 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 1krx h SER 120 CO 0.05 1.43 -0.82 0.45 -1.14 0.00 0.00 176.83 176.80 1krx h HIS 121 N 0.56 0.00 0.08 3.45 3.86 -1.08 -3.32 115.15 118.69 1krx h HIS 121 Ca -0.05 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.16 1krx h HIS 121 Cb 1.40 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.87 1krx h HIS 121 CO 0.09 0.82 -0.04 -0.92 0.86 0.00 0.00 177.93 178.73 1krx h TYR 122 N 0.00 -0.10 -4.21 2.45 3.20 -0.79 -3.45 116.97 114.07 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 1.52 0.03 0.13 0.00 1.54 0.00 0.00 36.73 39.96 1krx h TYR 122 CO 0.00 0.40 0.30 -1.14 -1.64 0.00 0.00 178.16 176.08 1krx s GLN 123 N -3.86 1.03 0.00 1.82 0.74 -0.74 -5.09 119.66 113.56 1krx s GLN 123 Ca -0.15 0.22 0.25 0.00 0.05 0.00 0.00 55.36 55.73 1krx s GLN 123 Cb 0.01 -1.83 1.49 0.00 1.10 0.00 0.00 33.01 33.78 1krx s GLN 123 CO 0.60 -2.26 1.85 -1.91 -0.55 0.00 0.00 175.29 173.02