#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 0.63 0.00 2.12 -0.06 -1.26 -5.01 117.38 113.81 1krx n GLN 2 Ca 0.00 -1.24 0.04 0.00 -2.00 0.00 0.00 57.00 53.80 1krx n GLN 2 Cb 0.00 1.55 0.20 0.00 -4.06 0.00 0.00 30.24 27.93 1krx n GLN 2 CO 0.00 0.00 0.00 2.89 -0.20 0.00 0.00 177.06 179.75 1krx n ARG 3 N -0.30 0.00 -0.85 3.69 1.85 -1.26 -4.89 116.66 114.90 1krx n ARG 3 Ca -0.05 0.34 0.00 0.00 -1.00 0.00 0.00 57.85 57.14 1krx n ARG 3 Cb 0.33 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.24 1krx n ARG 3 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1krx n GLY 4 N -0.55 -0.87 3.41 2.89 0.00 -1.26 -4.49 105.19 104.33 1krx n GLY 4 Ca 0.02 -0.40 -0.39 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.29 4.61 -0.17 -0.61 1.09 -1.26 0.37 121.20 124.93 1krx s ILE 5 Ca 0.00 -0.60 -0.06 0.00 -1.10 0.00 0.00 60.65 58.89 1krx s ILE 5 Cb 0.00 -3.45 -0.03 0.00 -1.06 0.00 0.00 42.46 37.92 1krx s ILE 5 CO 0.00 -0.07 0.02 0.54 -0.10 0.00 0.00 174.94 175.33 1krx s VAL 6 N 1.59 4.39 -0.00 2.92 0.11 0.26 0.76 120.40 130.43 1krx s VAL 6 Ca 0.04 -0.18 0.07 0.00 -2.93 0.00 0.00 61.98 58.98 1krx s VAL 6 Cb -0.18 -2.96 -0.03 0.00 -1.53 0.00 0.00 36.38 31.68 1krx s VAL 6 CO 0.07 0.47 -0.22 0.26 -3.33 0.00 0.00 175.10 172.35 1krx s TRP 7 N 0.40 2.47 -0.03 1.54 0.52 -1.01 -1.18 118.94 121.64 1krx s TRP 7 Ca 0.00 -0.33 0.02 0.00 0.02 0.00 0.00 56.10 55.81 1krx s TRP 7 Cb -0.13 -1.50 0.01 0.00 -1.15 0.00 0.00 33.47 30.70 1krx s TRP 7 CO 0.01 0.11 -0.06 0.08 0.02 0.00 0.00 176.95 177.12 1krx s VAL 8 N -0.75 0.56 -0.29 4.03 1.01 0.12 -1.11 120.40 123.97 1krx s VAL 8 Ca 0.12 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 61.91 1krx s VAL 8 Cb -0.10 -0.54 0.06 0.00 0.00 0.00 0.00 36.38 35.80 1krx s VAL 8 CO 0.01 0.20 -0.04 -0.69 0.00 0.00 0.00 175.10 174.58 1krx s VAL 9 N 0.51 2.54 0.00 2.92 1.01 0.30 -1.24 120.40 126.44 1krx s VAL 9 Ca -0.07 -1.61 0.00 0.00 0.00 0.00 0.00 61.98 60.30 1krx s VAL 9 Cb -0.10 -2.52 0.00 0.00 0.00 0.00 0.00 36.38 33.76 1krx s VAL 9 CO 0.00 -0.13 0.00 -0.67 0.00 0.00 0.00 175.10 174.30 1krx n ASP 10 N 4.50 0.00 0.00 3.32 -0.08 -1.05 0.11 116.55 123.35 1krx n ASP 10 Ca -0.12 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.16 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 -0.08 -1.25 -4.49 116.55 112.40 1krx n ASP 11 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1krx n ASP 11 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1krx n ASP 11 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1krx n ASP 12 N 1.23 0.00 0.00 1.67 2.03 -1.24 -4.55 116.55 115.69 1krx n ASP 12 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1krx n ASP 12 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1krx n ASP 12 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1krx n SER 13 N 6.99 0.00 -0.33 1.67 3.41 -1.26 0.18 113.62 124.28 1krx n SER 13 Ca 0.00 0.04 0.08 0.00 -0.26 0.00 0.00 58.87 58.72 1krx n SER 13 Cb 0.00 0.00 0.27 0.00 -0.26 0.00 0.00 64.21 64.22 1krx n SER 13 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1krx h SER 14 N 0.00 0.87 0.83 4.04 0.02 -1.93 -0.36 113.55 117.02 1krx h SER 14 Ca 0.00 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1krx h SER 14 Cb 0.00 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.40 1krx h SER 14 CO 0.00 0.47 -0.02 0.40 -1.14 0.00 0.00 176.83 176.54 1krx h ILE 15 N 0.94 0.06 0.23 3.27 1.08 -1.31 -3.11 117.51 118.67 1krx h ILE 15 Ca 0.47 -0.47 -0.01 0.00 -0.39 0.00 0.00 64.86 64.45 1krx h ILE 15 Cb 0.49 1.44 0.00 0.00 -3.07 0.00 0.00 36.82 35.68 1krx h ILE 15 CO -0.23 0.02 -0.11 -0.09 -0.69 0.00 0.00 178.15 177.05 1krx h ARG 16 N 0.00 -0.29 -0.91 2.37 2.43 0.37 -2.74 114.38 115.61 1krx h ARG 16 Ca -0.00 0.02 0.19 0.00 -0.81 0.00 0.00 59.98 59.38 1krx h ARG 16 Cb 0.44 0.07 -0.11 0.00 -0.42 0.00 0.00 29.97 29.94 1krx h ARG 16 CO 0.00 -0.09 0.46 2.35 -1.51 0.00 0.00 179.97 181.19 1krx h TRP 17 N -1.04 0.79 0.38 2.20 7.01 -1.53 0.99 115.95 124.74 1krx h TRP 17 Ca -0.03 0.04 -0.02 0.00 2.11 0.00 0.00 58.89 60.99 1krx h TRP 17 Cb 0.34 -0.21 0.00 0.00 -2.10 0.00 0.00 29.16 27.19 1krx h TRP 17 CO 0.03 0.09 -0.18 0.28 -2.79 0.00 0.00 178.44 175.86 1krx h VAL 18 N 0.55 0.00 0.00 2.65 2.07 -1.66 -3.09 116.25 116.77 1krx h VAL 18 Ca 0.54 -0.40 -0.03 0.00 0.82 0.00 0.00 66.70 67.63 1krx h VAL 18 Cb 0.92 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1krx h VAL 18 CO -0.44 0.00 -0.14 -0.07 0.02 0.00 0.00 177.57 176.94 1krx h LEU 19 N -0.91 0.00 0.58 2.57 -0.00 -1.29 -2.33 115.31 113.93 1krx h LEU 19 Ca -0.05 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.80 1krx h LEU 19 Cb 0.39 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.05 1krx h LEU 19 CO 0.09 0.14 -0.28 1.05 -0.00 0.00 0.00 178.44 179.43 1krx h GLU 20 N 0.00 -0.76 0.44 1.13 4.11 0.94 -2.70 114.58 117.74 1krx h GLU 20 Ca -0.00 0.05 -0.02 0.00 0.07 0.00 0.00 59.36 59.46 1krx h GLU 20 Cb 0.29 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1krx h GLU 20 CO 0.02 -0.50 -0.21 0.00 0.07 0.00 0.00 179.01 178.38 1krx h ARG 21 N -1.11 -0.57 -0.09 1.06 2.47 -1.57 -1.43 114.38 113.15 1krx h ARG 21 Ca -0.08 0.04 0.03 0.00 -1.26 0.00 0.00 59.98 58.71 1krx h ARG 21 Cb 0.60 0.13 -0.06 0.00 -1.65 0.00 0.00 29.97 28.99 1krx h ARG 21 CO 0.13 -0.26 -0.53 0.00 0.56 0.00 0.00 179.97 179.87 1krx h ALA 22 N -0.65 -0.88 0.00 0.04 0.00 -1.59 0.38 119.26 116.57 1krx h ALA 22 Ca -0.06 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1krx h ALA 22 Cb 0.57 0.96 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 1krx h ALA 22 CO 0.10 -1.08 -0.01 1.25 0.00 0.00 0.00 179.25 179.51 1krx h LEU 23 N -0.61 0.00 -0.71 0.00 5.85 -1.59 0.21 115.31 118.47 1krx h LEU 23 Ca 0.03 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.65 1krx h LEU 23 Cb 0.69 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.70 1krx h LEU 23 CO -0.41 0.01 -0.08 0.00 -0.34 0.00 0.00 178.44 177.62 1krx h ALA 24 N 1.99 0.90 0.00 1.25 0.00 0.85 -1.99 119.26 122.27 1krx h ALA 24 Ca -0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1krx h ALA 24 Cb 0.08 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1krx h ALA 24 CO 0.00 0.64 -0.05 0.78 0.00 0.00 0.00 179.25 180.62 1krx h GLY 25 N 0.97 0.00 2.00 0.00 0.00 0.35 0.20 103.07 106.60 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 0.04 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.58 1krx h ALA 26 N 1.95 1.00 0.00 3.60 0.00 -1.35 -3.47 119.26 120.99 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 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 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 1.00 1.62 3.42 0.00 0.00 0.06 -5.12 105.19 106.18 1krx n GLY 27 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 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 2.04 -0.41 0.99 1.02 -1.16 -4.62 118.68 116.53 1krx s LEU 28 Ca 0.00 -1.40 -0.09 0.00 0.02 0.00 0.00 54.13 52.66 1krx s LEU 28 Cb 0.00 -0.27 0.07 0.00 0.02 0.00 0.00 46.19 46.02 1krx s LEU 28 CO 0.00 -0.66 0.24 -0.89 0.02 0.00 0.00 176.35 175.05 1krx s THR 29 N -3.40 4.14 -0.30 5.49 2.01 0.16 -3.97 115.64 119.77 1krx s THR 29 Ca 0.36 -1.37 -0.13 0.00 0.31 0.00 0.00 61.69 60.86 1krx s THR 29 Cb 0.08 -3.52 -0.03 0.00 0.01 0.00 0.00 72.50 69.04 1krx s THR 29 CO 0.15 -0.46 0.26 0.00 -0.69 0.00 0.00 174.62 173.87 1krx s THR 31 N 1.83 2.45 0.08 0.00 -1.32 -0.33 -4.24 115.64 114.11 1krx s THR 31 Ca 0.09 -2.17 0.04 0.00 -1.21 0.00 0.00 61.69 58.44 1krx s THR 31 Cb -0.16 -2.22 -0.03 0.00 -1.51 0.00 0.00 72.50 68.57 1krx s THR 31 CO 0.11 -0.23 -0.11 0.42 -2.21 0.00 0.00 174.62 172.60 1krx s THR 32 N -2.01 0.92 0.37 5.08 -4.23 -1.25 0.13 115.64 114.65 1krx s THR 32 Ca 0.25 -1.41 0.03 0.00 -1.18 0.00 0.00 61.69 59.39 1krx s THR 32 Cb -0.07 -1.10 -0.04 0.00 1.34 0.00 0.00 72.50 72.63 1krx s THR 32 CO 0.12 -0.40 0.09 -0.36 -0.54 0.00 0.00 174.62 173.53 1krx s PHE 33 N -1.80 1.85 0.00 3.99 0.40 -0.37 -4.92 117.98 117.12 1krx s PHE 33 Ca -0.00 -1.13 0.00 0.00 -0.60 0.00 0.00 56.93 55.19 1krx s PHE 33 Cb -0.07 -1.21 0.00 0.00 0.51 0.00 0.00 43.02 42.25 1krx s PHE 33 CO 0.01 -0.16 0.00 -0.85 0.70 0.00 0.00 175.22 174.92 1krx n GLU 34 N -0.81 0.00 -0.00 0.44 0.28 -1.26 -2.71 120.64 116.57 1krx n GLU 34 Ca -0.05 0.00 -0.00 0.00 -0.16 0.00 0.00 57.16 56.95 1krx n GLU 34 Cb 0.66 0.00 -0.00 0.00 1.43 0.00 0.00 31.44 33.53 1krx n GLU 34 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 1krx h ASN 35 N 0.00 -0.01 0.00 -1.84 2.35 -1.95 -2.79 115.58 111.34 1krx h ASN 35 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1krx h ASN 35 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1krx h ASN 35 CO 0.00 0.07 0.00 0.61 -1.65 0.00 0.00 177.43 176.46 1krx n GLY 36 N 1.78 0.05 0.25 2.83 0.00 -1.26 -2.86 105.19 105.98 1krx n GLY 36 Ca -0.00 -0.03 0.06 0.00 0.00 0.00 0.00 46.02 46.05 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 0.08 -0.10 1.61 -0.26 -1.95 -2.75 115.58 112.22 1krx h ASN 37 Ca 0.00 -0.01 0.04 0.00 -0.56 0.00 0.00 56.30 55.77 1krx h ASN 37 Cb 0.00 -0.02 -0.05 0.00 -1.06 0.00 0.00 38.32 37.19 1krx h ASN 37 CO 0.00 0.17 -0.19 -0.08 -1.06 0.00 0.00 177.43 176.27 1krx h GLU 38 N 0.09 -0.25 -0.48 0.81 4.81 -1.96 -1.66 114.58 115.94 1krx h GLU 38 Ca 0.02 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.34 1krx h GLU 38 Cb 0.18 0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.56 1krx h GLU 38 CO 0.01 -0.17 0.14 0.28 -0.73 0.00 0.00 179.01 178.54 1krx h VAL 39 N -0.26 0.79 -0.83 0.32 2.07 -1.89 -0.90 116.25 115.55 1krx h VAL 39 Ca 0.09 -0.10 0.16 0.00 0.82 0.00 0.00 66.70 67.67 1krx h VAL 39 Cb 0.38 0.48 -0.10 0.00 -1.52 0.00 0.00 31.29 30.53 1krx h VAL 39 CO -0.25 0.05 0.38 -0.07 0.02 0.00 0.00 177.57 177.71 1krx h LEU 40 N 0.29 0.40 -0.12 2.57 3.38 -1.34 0.96 115.31 121.46 1krx h LEU 40 Ca 0.23 0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.29 1krx h LEU 40 Cb 0.27 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1krx h LEU 40 CO -0.27 0.13 -0.04 0.00 0.09 0.00 0.00 178.44 178.35 1krx h ALA 41 N 1.59 0.16 -0.14 1.53 0.00 -0.39 -2.96 119.26 119.04 1krx h ALA 41 Ca 0.47 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 1krx h ALA 41 Cb 0.75 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1krx h ALA 41 CO -0.42 -0.08 -0.08 0.00 0.00 0.00 0.00 179.25 178.68 1krx h ALA 42 N 0.67 1.60 0.00 0.00 0.00 -0.06 -1.79 119.26 119.68 1krx h ALA 42 Ca 0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1krx h ALA 42 Cb 0.48 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1krx h ALA 42 CO 0.01 0.29 -0.05 -0.07 0.00 0.00 0.00 179.25 179.44 1krx h LEU 43 N 0.21 0.00 -1.94 0.00 3.38 0.11 -1.02 115.31 116.05 1krx h LEU 43 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1krx h LEU 43 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1krx h LEU 43 CO 0.01 0.05 0.00 0.00 0.09 0.00 0.00 178.44 178.59 1krx h ALA 44 N 1.95 1.00 -0.00 1.53 0.00 -1.27 -2.06 119.26 120.42 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 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1krx h ALA 44 CO 0.01 0.00 -0.11 0.45 0.00 0.00 0.00 179.25 179.60 1krx n SER 45 N -2.68 0.63 -3.53 0.00 2.88 -0.43 -5.06 113.62 105.43 1krx n SER 45 Ca -0.01 -0.81 -0.10 0.00 -1.33 0.00 0.00 58.87 56.61 1krx n SER 45 Cb 0.11 0.62 -0.02 0.00 -0.75 0.00 0.00 64.21 64.17 1krx n SER 45 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1krx s LYS 46 N -0.98 1.26 -0.14 -1.46 2.20 -0.77 -5.15 119.74 114.70 1krx s LYS 46 Ca 0.03 -0.53 -0.04 0.00 -0.36 0.00 0.00 55.97 55.07 1krx s LYS 46 Cb 0.03 0.54 0.05 0.00 -1.51 0.00 0.00 37.83 36.94 1krx s LYS 46 CO 0.12 -0.56 0.07 0.99 -0.36 0.00 0.00 175.35 175.61 1krx s THR 47 N -3.62 0.02 0.76 3.43 2.01 -1.26 -4.03 115.64 112.95 1krx s THR 47 Ca 0.04 -0.08 -0.11 0.00 0.31 0.00 0.00 61.69 61.85 1krx s THR 47 Cb -0.02 -0.55 0.05 0.00 0.01 0.00 0.00 72.50 71.99 1krx s THR 47 CO -0.08 -0.14 1.09 -2.16 -0.69 0.00 0.00 174.62 172.64 1krx s PRO 48 N 2.10 2.40 0.41 4.92 0.04 -1.26 -4.95 135.00 138.65 1krx s PRO 48 Ca 0.02 0.61 0.22 0.00 0.04 0.00 0.00 61.00 61.89 1krx s PRO 48 Cb -0.15 -1.96 0.66 0.00 0.04 0.00 0.00 34.50 33.10 1krx s PRO 48 CO -0.07 -1.39 1.71 -0.44 0.04 0.00 0.00 177.00 176.85 1krx h ASP 49 N -0.92 0.00 -5.22 6.66 5.19 -0.02 -3.46 116.42 118.65 1krx h ASP 49 Ca -0.46 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 55.84 1krx h ASP 49 Cb 1.26 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 40.63 1krx h ASP 49 CO 0.60 0.26 -0.44 0.54 -3.12 0.00 0.00 179.24 177.08 1krx s VAL 50 N -3.43 0.14 -0.04 -1.35 0.11 -1.12 -4.54 120.40 110.16 1krx s VAL 50 Ca 0.02 -1.41 -0.17 0.00 -2.93 0.00 0.00 61.98 57.49 1krx s VAL 50 Cb 0.09 -1.54 0.03 0.00 -1.53 0.00 0.00 36.38 33.43 1krx s VAL 50 CO 0.66 -0.62 0.38 -0.22 -3.33 0.00 0.00 175.10 171.97 1krx s LEU 51 N -2.91 0.56 -0.05 2.54 2.96 -0.53 -2.41 118.68 118.83 1krx s LEU 51 Ca 0.10 0.30 -0.00 0.00 -0.22 0.00 0.00 54.13 54.30 1krx s LEU 51 Cb 0.05 1.48 0.03 0.00 0.50 0.00 0.00 46.19 48.25 1krx s LEU 51 CO -0.07 -0.42 -0.01 -0.76 -1.32 0.00 0.00 176.35 173.76 1krx s LEU 52 N -1.07 1.00 0.02 -0.68 1.43 -0.26 0.56 118.68 119.68 1krx s LEU 52 Ca -0.11 -0.08 0.04 0.00 -1.03 0.00 0.00 54.13 52.94 1krx s LEU 52 Cb -0.04 -0.38 -0.03 0.00 0.03 0.00 0.00 46.19 45.76 1krx s LEU 52 CO 0.05 -0.12 -0.07 -0.44 0.23 0.00 0.00 176.35 176.00 1krx s SER 53 N 1.35 4.60 0.48 2.29 0.01 0.78 0.11 113.70 123.32 1krx s SER 53 Ca -0.05 -0.18 0.29 0.00 1.31 0.00 0.00 55.95 57.32 1krx s SER 53 Cb -0.13 -1.05 0.95 0.00 0.21 0.00 0.00 66.02 66.00 1krx s SER 53 CO -0.02 0.26 1.82 -0.78 0.41 0.00 0.00 173.24 174.93 1krx h ASP 54 N 4.35 0.00 -6.14 2.44 3.58 0.99 -2.23 116.42 119.42 1krx h ASP 54 Ca -0.48 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 56.85 1krx h ASP 54 Cb 1.17 0.00 0.01 0.00 1.72 0.00 0.00 39.33 42.22 1krx h ASP 54 CO 0.54 0.00 -1.02 0.00 -2.88 0.00 0.00 179.24 175.88 1krx n ILE 55 N -3.00 -4.95 -3.14 2.25 3.06 -1.26 -4.62 119.36 107.70 1krx n ILE 55 Ca 0.02 0.62 0.05 0.00 -2.50 0.00 0.00 62.75 60.94 1krx n ILE 55 Cb 0.39 -4.16 0.00 0.00 0.54 0.00 0.00 39.64 36.40 1krx n ILE 55 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1krx s ARG 56 N -1.67 0.27 -1.38 9.51 1.70 -1.19 -4.63 118.95 121.55 1krx s ARG 56 Ca 0.14 0.24 -0.06 0.00 -0.47 0.00 0.00 55.73 55.57 1krx s ARG 56 Cb -0.02 0.11 0.03 0.00 -0.57 0.00 0.00 34.95 34.51 1krx s ARG 56 CO 0.45 -0.50 0.92 -0.12 -1.08 0.00 0.00 175.30 174.97 1krx n MET 57 N 5.13 -5.84 -0.02 3.89 0.00 0.25 -4.83 117.12 115.70 1krx n MET 57 Ca 0.08 0.67 -0.16 0.00 0.00 0.00 0.00 57.70 58.30 1krx n MET 57 Cb 0.57 -5.49 -0.14 0.00 0.00 0.00 0.00 33.22 28.16 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 -4.53 0.70 0.00 2.12 -0.04 -1.26 -4.91 135.00 127.08 1krx n PRO 58 Ca -0.13 0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1krx n PRO 58 Cb 0.60 -1.71 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 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 1.85 0.00 2.55 0.55 0.00 -1.26 -4.96 105.19 103.92 1krx n GLY 59 Ca -0.28 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.05 0.70 0.00 1.61 0.00 -1.26 -4.93 117.12 113.20 1krx n MET 60 Ca 0.00 -2.32 0.00 0.00 -0.00 0.00 0.00 57.70 55.38 1krx n MET 60 Cb 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 33.22 31.82 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 1.75 0.00 0.00 6.12 -0.08 -1.26 -2.25 116.55 120.83 1krx n ASP 61 Ca 0.15 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.43 1krx n ASP 61 Cb 0.58 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.04 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 0.00 1.42 0.24 0.27 0.00 -1.26 -0.58 105.19 105.28 1krx n GLY 62 Ca 0.00 -0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.04 0.99 4.07 -1.77 -2.37 115.31 114.19 1krx h LEU 63 Ca 0.00 0.00 0.11 0.00 0.08 0.00 0.00 57.88 58.07 1krx h LEU 63 Cb 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 1krx h LEU 63 CO 0.00 0.17 0.38 0.00 -1.08 0.00 0.00 178.44 177.91 1krx h ALA 64 N 1.83 2.07 -0.99 1.53 0.00 -1.90 0.11 119.26 121.90 1krx h ALA 64 Ca -0.00 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.99 1krx h ALA 64 Cb 0.48 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.22 1krx h ALA 64 CO 0.02 -0.57 0.62 -0.07 0.00 0.00 0.00 179.25 179.26 1krx h LEU 65 N 0.00 0.96 -0.39 0.00 3.38 -1.75 -0.67 115.31 116.84 1krx h LEU 65 Ca 0.17 0.03 -0.17 0.00 0.09 0.00 0.00 57.88 58.00 1krx h LEU 65 Cb 0.93 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 1krx h LEU 65 CO -0.00 0.56 -0.45 -0.07 0.09 0.00 0.00 178.44 178.57 1krx h LEU 66 N 1.06 0.95 -0.78 1.67 4.07 -0.99 -2.80 115.31 118.49 1krx h LEU 66 Ca 0.46 -0.46 0.09 0.00 0.08 0.00 0.00 57.88 58.05 1krx h LEU 66 Cb 0.32 -0.27 -0.07 0.00 1.08 0.00 0.00 40.66 41.72 1krx h LEU 66 CO -0.22 1.25 0.43 0.50 -1.08 0.00 0.00 178.44 179.32 1krx h LYS 67 N 0.70 0.71 -0.33 1.13 3.11 -1.03 -1.45 116.57 119.41 1krx h LYS 67 Ca 0.04 -0.04 -0.14 0.00 -2.81 0.00 0.00 60.65 57.70 1krx h LYS 67 Cb 1.04 -0.16 -0.01 0.00 -1.00 0.00 0.00 32.23 32.10 1krx h LYS 67 CO 0.10 0.47 -0.34 1.96 -2.81 0.00 0.00 179.45 178.83 1krx h GLN 68 N 0.73 0.73 0.00 1.90 1.08 -1.25 -2.63 115.11 115.67 1krx h GLN 68 Ca 0.37 -0.35 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 1krx h GLN 68 Cb 0.35 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.77 1krx h GLN 68 CO -0.25 0.97 -0.04 0.82 -0.95 0.00 0.00 178.83 179.38 1krx h ILE 69 N 0.61 0.34 0.02 2.54 2.04 -1.02 0.20 117.51 122.24 1krx h ILE 69 Ca 0.06 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 1krx h ILE 69 Cb 0.87 1.18 0.00 0.00 -0.74 0.00 0.00 36.82 38.13 1krx h ILE 69 CO 0.08 0.04 -0.01 0.11 0.00 0.00 0.00 178.15 178.37 1krx h LYS 70 N 0.00 -0.02 -0.28 2.37 1.57 -1.03 1.02 116.57 120.20 1krx h LYS 70 Ca -0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1krx h LYS 70 Cb 0.18 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1krx h LYS 70 CO 0.01 0.69 0.07 1.96 -0.57 0.00 0.00 179.45 181.60 1krx h GLN 71 N -0.78 0.40 0.00 3.15 4.20 -1.18 0.28 115.11 121.18 1krx h GLN 71 Ca -0.00 -0.06 -0.28 0.00 0.06 0.00 0.00 58.65 58.37 1krx h GLN 71 Cb 0.72 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 28.38 1krx h GLN 71 CO 0.00 0.37 -1.91 0.54 -0.67 0.00 0.00 178.83 177.17 1krx n ARG 72 N -4.38 0.65 -3.04 1.46 3.00 0.01 -4.76 116.66 109.59 1krx n ARG 72 Ca 0.01 0.15 -0.11 0.00 -0.01 0.00 0.00 57.85 57.89 1krx n ARG 72 Cb 0.16 -1.69 -0.03 0.00 0.00 0.00 0.00 32.46 30.91 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 -2.67 -0.80 0.00 -1.55 3.76 0.35 -5.01 115.29 109.38 1krx s HIS 73 Ca -0.06 -0.95 0.00 0.00 -0.15 0.00 0.00 55.06 53.90 1krx s HIS 73 Cb 0.08 -0.08 0.00 0.00 1.11 0.00 0.00 32.58 33.69 1krx s HIS 73 CO 0.83 -1.12 0.66 -0.35 -0.85 0.00 0.00 174.74 173.91 1krx n PRO 74 N 3.24 0.56 0.00 8.40 -0.04 0.96 -2.82 135.00 145.30 1krx n PRO 74 Ca 0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 1krx n PRO 74 Cb 0.53 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.77 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 0.89 0.00 -1.62 0.54 2.81 -0.20 -4.39 117.12 115.15 1krx n MET 75 Ca 0.00 0.00 -0.50 0.00 -1.81 0.00 0.00 57.70 55.39 1krx n MET 75 Cb 0.28 -0.41 -0.05 0.00 -0.71 0.00 0.00 33.22 32.33 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 -1.22 2.18 -4.68 4.03 7.94 -1.13 -4.47 117.00 119.65 1krx n LEU 76 Ca 0.00 1.10 -0.42 0.00 -1.11 0.00 0.00 56.01 55.58 1krx n LEU 76 Cb 0.00 -1.27 -0.03 0.00 0.53 0.00 0.00 43.42 42.65 1krx n LEU 76 CO 0.00 -0.76 1.08 -2.16 -1.11 0.00 0.00 177.39 174.44 1krx s PRO 77 N 0.70 4.28 -0.02 1.96 0.04 -1.25 -4.20 135.00 136.50 1krx s PRO 77 Ca 0.83 1.80 0.02 0.00 0.04 0.00 0.00 61.00 63.69 1krx s PRO 77 Cb -0.86 -3.67 -0.03 0.00 0.04 0.00 0.00 34.50 29.98 1krx s PRO 77 CO 0.44 -0.61 -0.06 0.08 0.04 0.00 0.00 177.00 176.89 1krx s VAL 78 N 2.87 3.74 -0.16 -0.36 1.01 -1.26 -1.46 120.40 124.79 1krx s VAL 78 Ca 0.59 -0.64 -0.02 0.00 0.00 0.00 0.00 61.98 61.91 1krx s VAL 78 Cb -0.26 -2.60 0.05 0.00 0.00 0.00 0.00 36.38 33.57 1krx s VAL 78 CO 0.22 0.46 0.01 -0.63 0.00 0.00 0.00 175.10 175.16 1krx s ILE 79 N -0.94 0.58 -0.04 2.22 1.01 0.19 -0.97 121.20 123.25 1krx s ILE 79 Ca 0.16 -0.39 -0.15 0.00 0.00 0.00 0.00 60.65 60.26 1krx s ILE 79 Cb -0.11 -0.94 -0.05 0.00 0.01 0.00 0.00 42.46 41.36 1krx s ILE 79 CO 0.06 -0.03 0.40 -0.63 0.00 0.00 0.00 174.94 174.74 1krx s ILE 80 N 1.85 5.09 -1.77 2.92 -1.09 -1.12 -0.16 121.20 126.93 1krx s ILE 80 Ca 0.01 0.82 0.28 0.00 -2.23 0.00 0.00 60.65 59.54 1krx s ILE 80 Cb -0.15 -3.72 0.46 0.00 -1.58 0.00 0.00 42.46 37.47 1krx s ILE 80 CO -0.07 0.52 1.82 1.15 -1.23 0.00 0.00 174.94 177.12 1krx n MET 81 N 2.32 0.83 -3.78 2.79 0.00 -0.84 0.24 117.12 118.67 1krx n MET 81 Ca -0.13 -0.34 -0.13 0.00 0.00 0.00 0.00 57.70 57.11 1krx n MET 81 Cb 0.52 -1.49 -0.10 0.00 0.00 0.00 0.00 33.22 32.15 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 -2.40 0.03 -0.39 3.17 2.01 -0.64 -1.32 115.64 116.09 1krx s THR 82 Ca 0.30 -0.23 0.10 0.00 0.31 0.00 0.00 61.69 62.18 1krx s THR 82 Cb 0.20 -0.47 0.33 0.00 0.01 0.00 0.00 72.50 72.57 1krx s THR 82 CO 0.46 -0.13 0.77 0.00 -0.69 0.00 0.00 174.62 175.04 1krx n ALA 83 N 2.25 1.50 -0.02 7.40 0.00 -1.26 -4.85 120.51 125.53 1krx n ALA 83 Ca -0.17 -3.03 0.05 0.00 0.00 0.00 0.00 53.44 50.29 1krx n ALA 83 Cb 0.57 -0.96 -0.15 0.00 0.00 0.00 0.00 19.45 18.90 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 0.46 0.11 -1.08 0.00 1.44 -1.26 -4.92 115.22 109.97 1krx n HIS 84 Ca 0.21 0.03 0.00 0.00 -2.01 0.00 0.00 57.72 55.95 1krx n HIS 84 Cb 0.65 -0.68 0.00 0.00 0.12 0.00 0.00 29.99 30.08 1krx n HIS 84 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 1krx n SER 85 N -2.44 0.00 -4.54 4.39 7.64 -1.26 -4.88 113.62 112.53 1krx n SER 85 Ca -0.11 -0.65 -0.32 0.00 1.01 0.00 0.00 58.87 58.79 1krx n SER 85 Cb 0.73 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.86 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 -1.95 1.60 0.25 6.43 9.92 -1.26 -4.76 116.55 126.79 1krx n ASP 86 Ca 0.00 -0.54 0.15 0.00 -0.53 0.00 0.00 54.79 53.88 1krx n ASP 86 Cb 0.00 -1.40 0.70 0.00 -0.64 0.00 0.00 41.12 39.77 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 18.12 0.00 -0.79 0.64 7.12 -1.91 -2.25 115.31 136.25 1krx h LEU 87 Ca -0.15 0.00 0.18 0.00 0.13 0.00 0.00 57.88 58.04 1krx h LEU 87 Cb 1.23 0.00 -0.12 0.00 -0.53 0.00 0.00 40.66 41.24 1krx h LEU 87 CO 1.21 0.00 0.22 -0.78 -0.13 0.00 0.00 178.44 178.96 1krx h ASP 88 N 0.00 0.07 0.55 1.25 1.82 -2.02 0.56 116.42 118.65 1krx h ASP 88 Ca 0.07 0.15 -0.00 0.00 -0.39 0.00 0.00 57.03 56.86 1krx h ASP 88 Cb 1.01 0.19 -0.00 0.00 0.68 0.00 0.00 39.33 41.21 1krx h ASP 88 CO -0.00 -0.04 -0.02 0.00 -1.61 0.00 0.00 179.24 177.57 1krx h ALA 89 N 1.65 1.03 -0.04 -0.78 0.00 -1.78 -1.95 119.26 117.39 1krx h ALA 89 Ca 0.46 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 55.20 1krx h ALA 89 Cb 0.81 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1krx h ALA 89 CO -0.53 0.02 -0.67 0.00 0.00 0.00 0.00 179.25 178.07 1krx h ALA 90 N 1.98 0.80 -0.47 0.00 0.00 -0.05 -3.16 119.26 118.36 1krx h ALA 90 Ca -0.00 -0.59 -0.07 0.00 0.00 0.00 0.00 54.91 54.26 1krx h ALA 90 Cb 0.30 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1krx h ALA 90 CO 0.00 0.78 0.04 0.28 0.00 0.00 0.00 179.25 180.35 1krx h VAL 91 N 0.13 1.26 0.00 0.00 2.07 -1.10 -1.96 116.25 116.64 1krx h VAL 91 Ca -0.01 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.52 1krx h VAL 91 Cb 1.19 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 1krx h VAL 91 CO 0.10 0.35 0.00 0.28 0.02 0.00 0.00 177.57 178.32 1krx h SER 92 N 0.66 0.00 -0.31 0.57 0.02 -1.56 -1.84 113.55 111.10 1krx h SER 92 Ca 0.14 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.04 1krx h SER 92 Cb 0.45 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 1krx h SER 92 CO 0.02 0.00 -0.01 0.00 -1.14 0.00 0.00 176.83 175.70 1krx h ALA 93 N 2.00 0.41 0.00 3.77 0.00 -1.32 -2.10 119.26 122.02 1krx h ALA 93 Ca 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1krx h ALA 93 Cb 0.17 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1krx h ALA 93 CO 0.00 0.17 -0.11 1.88 0.00 0.00 0.00 179.25 181.19 1krx h TYR 94 N 0.34 0.00 -0.28 0.00 0.05 -1.29 0.80 116.97 116.59 1krx h TYR 94 Ca 0.09 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.74 1krx h TYR 94 Cb 0.45 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.18 1krx h TYR 94 CO 0.04 0.11 -0.36 0.37 -1.05 0.00 0.00 178.16 177.27 1krx h GLN 95 N 0.00 0.62 0.00 4.88 -0.00 -1.16 -2.89 115.11 116.56 1krx h GLN 95 Ca -0.00 -0.30 0.00 0.00 -0.00 0.00 0.00 58.65 58.35 1krx h GLN 95 Cb 0.38 -0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.86 1krx h GLN 95 CO 0.01 0.89 -0.61 -0.56 0.00 0.00 0.00 178.83 178.57 1krx h GLN 96 N 0.52 0.00 0.00 1.69 -0.00 -0.98 -3.48 115.11 112.86 1krx h GLN 96 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.70 1krx h GLN 96 Cb 0.87 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.35 1krx h GLN 96 CO 0.07 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.31 1krx n GLY 97 N 1.21 1.89 3.74 0.06 0.00 -0.46 -1.04 105.19 110.60 1krx n GLY 97 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.89 2.35 -0.14 4.61 0.00 0.27 -3.76 121.76 123.20 1krx s ALA 98 Ca 0.00 0.86 -0.17 0.00 0.00 0.00 0.00 51.96 52.64 1krx s ALA 98 Cb 0.00 -3.43 -0.15 0.00 0.00 0.00 0.00 23.12 19.54 1krx s ALA 98 CO 0.00 -1.49 0.38 0.35 0.00 0.00 0.00 175.76 175.01 1krx h PHE 99 N 0.21 0.00 0.00 0.00 3.57 -1.35 -3.41 116.94 115.96 1krx h PHE 99 Ca -0.48 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.02 1krx h PHE 99 Cb 1.29 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.03 1krx h PHE 99 CO 0.48 0.66 0.00 -0.40 -2.23 0.00 0.00 178.31 176.82 1krx n ASP 100 N -4.64 0.00 -4.18 0.41 5.68 -1.17 -5.04 116.55 107.60 1krx n ASP 100 Ca -0.09 0.00 -0.32 0.00 -0.50 0.00 0.00 54.79 53.87 1krx n ASP 100 Cb 0.33 0.00 -0.16 0.00 -1.14 0.00 0.00 41.12 40.15 1krx n ASP 100 CO 0.00 0.00 0.00 -0.31 -1.33 0.00 0.00 177.20 175.56 1krx s TYR 101 N -2.92 2.66 -0.11 2.11 1.51 -1.26 -2.78 117.35 116.56 1krx s TYR 101 Ca 0.00 -1.29 -0.05 0.00 -1.01 0.00 0.00 57.07 54.72 1krx s TYR 101 Cb 0.00 -1.81 -0.04 0.00 -0.11 0.00 0.00 41.96 40.01 1krx s TYR 101 CO 0.00 -0.58 0.08 -1.17 -1.11 0.00 0.00 175.55 172.77 1krx s LEU 102 N 0.75 4.04 1.24 -1.29 2.96 0.66 -4.94 118.68 122.11 1krx s LEU 102 Ca -0.08 0.32 -0.16 0.00 -0.22 0.00 0.00 54.13 53.99 1krx s LEU 102 Cb -0.16 -1.97 0.30 0.00 0.50 0.00 0.00 46.19 44.86 1krx s LEU 102 CO -0.00 0.38 0.86 -0.81 -1.32 0.00 0.00 176.35 175.46 1krx n PRO 103 N 2.14 -2.97 -0.31 0.98 -0.04 -1.26 -1.62 135.00 131.93 1krx n PRO 103 Ca -0.19 -0.85 0.13 0.00 -0.04 0.00 0.00 63.50 62.55 1krx n PRO 103 Cb 0.54 -2.05 0.27 0.00 -0.04 0.00 0.00 33.50 32.23 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 -2.86 0.09 -6.45 0.54 1.63 -1.59 -3.39 116.57 104.54 1krx h LYS 104 Ca -0.58 -0.01 -0.51 0.00 -0.85 0.00 0.00 60.65 58.70 1krx h LYS 104 Cb 1.33 -0.02 0.23 0.00 -0.60 0.00 0.00 32.23 33.17 1krx h LYS 104 CO 0.44 0.06 -1.32 -2.30 -3.45 0.00 0.00 179.45 172.87 1krx n PRO 105 N -5.37 -0.48 0.00 1.90 -0.02 -1.26 -4.85 135.00 124.93 1krx n PRO 105 Ca 0.21 -0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1krx n PRO 105 Cb 0.70 -1.48 0.00 0.00 -0.02 0.00 0.00 33.50 32.70 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 -3.49 0.00 -0.75 6.00 7.35 -1.26 -4.91 117.46 120.39 1krx n PHE 106 Ca 0.02 0.00 0.02 0.00 -0.76 0.00 0.00 57.45 56.72 1krx n PHE 106 Cb 0.59 0.00 -0.00 0.00 0.35 0.00 0.00 39.48 40.42 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 -1.45 -0.05 -2.13 5.75 -1.26 -0.77 116.55 116.64 1krx n ASP 107 Ca 0.00 0.12 -0.12 0.00 -0.01 0.00 0.00 54.79 54.78 1krx n ASP 107 Cb 0.00 -0.50 -0.06 0.00 -1.03 0.00 0.00 41.12 39.53 1krx n ASP 107 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 1krx h ILE 108 N -0.11 1.30 0.01 2.12 5.03 -1.96 0.14 117.51 124.04 1krx h ILE 108 Ca 0.00 -1.02 0.03 0.00 -0.12 0.00 0.00 64.86 63.75 1krx h ILE 108 Cb 0.10 1.66 -0.06 0.00 -3.03 0.00 0.00 36.82 35.50 1krx h ILE 108 CO 0.00 0.30 -0.46 -0.78 -0.68 0.00 0.00 178.15 176.53 1krx h ASP 109 N -0.02 -1.39 1.27 1.72 1.82 -1.98 1.09 116.42 118.93 1krx h ASP 109 Ca 0.04 0.16 -0.14 0.00 -0.39 0.00 0.00 57.03 56.70 1krx h ASP 109 Cb 0.48 0.54 -0.02 0.00 0.68 0.00 0.00 39.33 41.01 1krx h ASP 109 CO 0.02 -0.48 -0.65 -0.33 -1.61 0.00 0.00 179.24 176.19 1krx h GLU 110 N -0.61 0.00 0.00 0.28 4.39 -1.03 -2.71 114.58 114.90 1krx h GLU 110 Ca 0.04 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.67 1krx h GLU 110 Cb 0.68 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.32 1krx h GLU 110 CO -0.33 0.65 -0.43 0.00 -1.16 0.00 0.00 179.01 177.74 1krx h ALA 111 N 1.35 0.08 -0.15 3.43 0.00 0.14 -3.06 119.26 121.06 1krx h ALA 111 Ca -0.01 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1krx h ALA 111 Cb 1.46 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 1krx h ALA 111 CO 0.08 0.27 0.10 0.28 0.00 0.00 0.00 179.25 179.98 1krx h VAL 112 N -1.00 1.04 0.09 0.00 2.07 0.11 0.35 116.25 118.91 1krx h VAL 112 Ca -0.10 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 1krx h VAL 112 Cb 0.84 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1krx h VAL 112 CO -0.06 0.04 -0.04 0.00 0.02 0.00 0.00 177.57 177.52 1krx h ALA 113 N 1.91 -0.12 0.00 1.67 0.00 -1.50 -1.68 119.26 119.53 1krx h ALA 113 Ca 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1krx h ALA 113 Cb -0.02 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1krx h ALA 113 CO -0.01 -0.54 -0.04 1.25 0.00 0.00 0.00 179.25 179.91 1krx h LEU 114 N -0.18 0.00 0.04 0.00 5.85 -1.20 -3.17 115.31 116.65 1krx h LEU 114 Ca -0.01 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.64 1krx h LEU 114 Cb 0.15 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.19 1krx h LEU 114 CO 0.02 0.04 -0.28 1.62 -0.34 0.00 0.00 178.44 179.50 1krx h VAL 115 N 0.00 1.67 -0.41 1.05 3.04 -0.05 -2.96 116.25 118.60 1krx h VAL 115 Ca -0.00 -2.33 -0.00 0.00 -1.01 0.00 0.00 66.70 63.35 1krx h VAL 115 Cb 0.80 3.24 -0.02 0.00 -2.01 0.00 0.00 31.29 33.30 1krx h VAL 115 CO 0.00 0.63 0.24 -0.33 -1.01 0.00 0.00 177.57 177.10 1krx h GLU 116 N -0.74 0.56 0.00 4.17 5.08 -1.41 -1.42 114.58 120.83 1krx h GLU 116 Ca -0.05 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 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 0.43 -0.08 0.07 -1.00 0.00 0.00 179.01 178.48 1krx h ARG 117 N 0.53 0.00 -0.01 2.33 0.11 -1.69 -1.61 114.38 114.05 1krx h ARG 117 Ca 0.15 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.21 1krx h ARG 117 Cb 0.02 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.10 1krx h ARG 117 CO -0.03 0.08 -0.03 0.00 0.10 0.00 0.00 179.97 180.09 1krx h ALA 118 N 1.92 0.02 -0.05 0.08 0.00 -1.10 -2.31 119.26 117.82 1krx h ALA 118 Ca -0.00 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 1krx h ALA 118 Cb 0.27 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1krx h ALA 118 CO 0.01 -0.15 -0.28 0.82 0.00 0.00 0.00 179.25 179.65 1krx h ILE 119 N -0.54 1.23 -0.29 0.00 2.04 -1.09 -2.86 117.51 115.99 1krx h ILE 119 Ca -0.00 -1.07 -0.08 0.00 1.00 0.00 0.00 64.86 64.71 1krx h ILE 119 Cb 0.65 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 1krx h ILE 119 CO 0.01 0.31 -0.14 0.28 0.00 0.00 0.00 178.15 178.61 1krx h SER 120 N 0.09 0.62 0.01 1.72 0.02 -1.31 0.30 113.55 115.01 1krx h SER 120 Ca 0.01 -0.41 -0.03 0.00 -0.84 0.00 0.00 61.79 60.53 1krx h SER 120 Cb 0.55 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 1krx h SER 120 CO 0.04 0.89 -0.06 0.45 -1.14 0.00 0.00 176.83 177.01 1krx h HIS 121 N 0.35 0.14 0.00 3.45 3.86 -1.21 -3.12 115.15 118.62 1krx h HIS 121 Ca 0.06 -0.01 -0.11 0.00 -1.16 0.00 0.00 60.37 59.16 1krx h HIS 121 Cb 0.66 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 29.07 1krx h HIS 121 CO 0.06 0.21 -0.61 1.88 0.86 0.00 0.00 177.93 180.33 1krx h TYR 122 N 0.14 0.00 -3.27 2.45 0.05 -1.37 -3.51 116.97 111.47 1krx h TYR 122 Ca 0.03 0.00 0.38 0.00 0.05 0.00 0.00 58.73 59.19 1krx h TYR 122 Cb 0.21 0.00 -0.12 0.00 1.01 0.00 0.00 36.73 37.83 1krx h TYR 122 CO 0.00 1.12 -0.70 0.94 -1.05 0.00 0.00 178.16 178.47 1krx n GLN 123 N -4.54 -2.98 -0.49 4.88 0.00 0.11 -5.11 117.38 109.24 1krx n GLN 123 Ca -0.19 2.10 0.00 0.00 -0.00 0.00 0.00 57.00 58.90 1krx n GLN 123 Cb 0.53 -3.61 0.00 0.00 0.00 0.00 0.00 30.24 27.17 1krx n GLN 123 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45