#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 -0.73 3.17 7.27 -1.26 -4.96 117.38 120.87 1krx n GLN 2 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 57.00 56.98 1krx n GLN 2 Cb 0.00 0.00 -0.12 0.00 2.41 0.00 0.00 30.24 32.53 1krx n GLN 2 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 1krx n ARG 3 N -0.15 1.48 -1.96 3.69 3.00 -1.26 -4.83 116.66 116.62 1krx n ARG 3 Ca 0.00 -0.75 -0.24 0.00 -0.00 0.00 0.00 57.85 56.86 1krx n ARG 3 Cb 0.00 -1.88 -0.05 0.00 0.00 0.00 0.00 32.46 30.52 1krx n ARG 3 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1krx s GLY 4 N 2.30 -0.00 -0.16 5.14 0.00 -1.26 -4.47 107.32 108.87 1krx s GLY 4 Ca 0.48 -1.40 0.00 0.00 0.00 0.00 0.00 44.72 43.81 1krx s GLY 4 CO -0.00 3.62 -0.13 -0.42 0.00 0.00 0.00 173.10 176.17 1krx s ILE 5 N 10.96 1.59 -0.23 0.90 -1.09 -1.26 0.83 121.20 132.90 1krx s ILE 5 Ca 0.74 -0.72 -0.07 0.00 -2.23 0.00 0.00 60.65 58.37 1krx s ILE 5 Cb -0.08 -1.53 -0.03 0.00 -1.58 0.00 0.00 42.46 39.24 1krx s ILE 5 CO 0.01 0.40 0.06 0.54 -1.23 0.00 0.00 174.94 174.72 1krx s VAL 6 N 1.47 4.41 -0.10 2.92 0.11 0.47 0.62 120.40 130.29 1krx s VAL 6 Ca 0.04 -0.15 -0.02 0.00 -2.93 0.00 0.00 61.98 58.92 1krx s VAL 6 Cb -0.14 -3.04 -0.03 0.00 -1.53 0.00 0.00 36.38 31.65 1krx s VAL 6 CO -0.10 0.37 -0.02 0.26 -3.33 0.00 0.00 175.10 172.28 1krx s TRP 7 N 1.26 3.09 0.03 1.54 0.52 -0.98 -2.21 118.94 122.20 1krx s TRP 7 Ca 0.05 0.05 0.04 0.00 0.02 0.00 0.00 56.10 56.26 1krx s TRP 7 Cb -0.15 -1.82 -0.02 0.00 -1.15 0.00 0.00 33.47 30.33 1krx s TRP 7 CO 0.03 0.32 -0.13 0.08 0.02 0.00 0.00 176.95 177.28 1krx s VAL 8 N -0.55 0.98 -0.25 4.03 1.01 0.11 0.19 120.40 125.92 1krx s VAL 8 Ca 0.09 -0.85 -0.02 0.00 0.00 0.00 0.00 61.98 61.20 1krx s VAL 8 Cb -0.12 -0.89 0.08 0.00 0.00 0.00 0.00 36.38 35.45 1krx s VAL 8 CO 0.02 0.04 0.07 -0.69 0.00 0.00 0.00 175.10 174.54 1krx s VAL 9 N -0.72 0.62 0.00 2.92 1.01 0.27 -0.15 120.40 124.34 1krx s VAL 9 Ca 0.01 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.09 1krx s VAL 9 Cb -0.07 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 35.03 1krx s VAL 9 CO 0.01 -0.43 0.00 -0.67 0.00 0.00 0.00 175.10 174.00 1krx n ASP 10 N 4.99 0.00 0.00 3.32 -0.08 -1.08 0.87 116.55 124.57 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 0.45 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.91 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 -3.96 116.55 112.92 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 -0.39 0.00 0.00 2.34 0.00 0.00 41.12 43.07 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 0.00 0.00 -0.21 1.67 -0.08 -1.25 -3.50 116.55 113.18 1krx n ASP 12 Ca 0.00 0.00 0.15 0.00 -1.51 0.00 0.00 54.79 53.43 1krx n ASP 12 Cb 0.00 0.00 0.29 0.00 2.34 0.00 0.00 41.12 43.75 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 2.31 0.08 0.01 1.67 2.88 -1.26 -0.29 113.62 119.01 1krx n SER 13 Ca 0.00 1.08 -0.01 0.00 -1.33 0.00 0.00 58.87 58.61 1krx n SER 13 Cb 0.00 -0.46 -0.00 0.00 -0.75 0.00 0.00 64.21 63.00 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 -0.05 0.38 -3.46 0.87 -1.88 0.28 113.55 109.68 1krx h SER 14 Ca 0.47 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 61.03 1krx h SER 14 Cb 1.13 0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 63.11 1krx h SER 14 CO -0.55 -0.02 -0.02 0.40 -0.53 0.00 0.00 176.83 176.12 1krx h ILE 15 N -0.03 0.09 0.52 2.23 1.08 -1.16 -3.00 117.51 117.24 1krx h ILE 15 Ca -0.00 -0.24 -0.03 0.00 -0.39 0.00 0.00 64.86 64.21 1krx h ILE 15 Cb 0.03 1.21 0.01 0.00 -3.07 0.00 0.00 36.82 34.99 1krx h ILE 15 CO -0.01 0.02 -0.25 -0.09 -0.69 0.00 0.00 178.15 177.13 1krx h ARG 16 N 0.00 -0.67 -0.73 2.37 2.43 0.03 -2.39 114.38 115.42 1krx h ARG 16 Ca -0.00 0.05 0.14 0.00 -0.81 0.00 0.00 59.98 59.36 1krx h ARG 16 Cb 0.21 0.15 -0.10 0.00 -0.42 0.00 0.00 29.97 29.82 1krx h ARG 16 CO 0.00 -0.39 0.26 2.35 -1.51 0.00 0.00 179.97 180.69 1krx h TRP 17 N -1.10 0.44 0.78 2.20 7.01 -0.33 1.00 115.95 125.95 1krx h TRP 17 Ca -0.07 0.04 -0.04 0.00 2.11 0.00 0.00 58.89 60.93 1krx h TRP 17 Cb 0.59 -0.08 0.01 0.00 -2.10 0.00 0.00 29.16 27.58 1krx h TRP 17 CO 0.01 0.03 -0.38 0.28 -2.79 0.00 0.00 178.44 175.59 1krx h VAL 18 N 0.39 0.00 0.00 2.65 2.07 -1.60 -3.10 116.25 116.66 1krx h VAL 18 Ca 0.40 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.77 1krx h VAL 18 Cb 0.62 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1krx h VAL 18 CO -0.42 0.00 -0.10 0.25 0.02 0.00 0.00 177.57 177.32 1krx h LEU 19 N -1.18 0.00 0.40 2.57 5.85 -1.20 -3.06 115.31 118.69 1krx h LEU 19 Ca -0.11 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 1krx h LEU 19 Cb 0.80 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.84 1krx h LEU 19 CO 0.18 0.10 -0.19 1.05 -0.34 0.00 0.00 178.44 179.24 1krx h GLU 20 N 0.00 -0.52 0.61 1.25 4.11 0.10 -1.09 114.58 119.04 1krx h GLU 20 Ca -0.00 0.04 -0.03 0.00 0.07 0.00 0.00 59.36 59.43 1krx h GLU 20 Cb 0.69 0.12 0.01 0.00 0.50 0.00 0.00 28.75 30.07 1krx h GLU 20 CO 0.01 -0.21 -0.29 0.00 0.07 0.00 0.00 179.01 178.59 1krx h ARG 21 N -0.89 -0.79 -0.30 1.06 2.47 -1.62 0.33 114.38 114.64 1krx h ARG 21 Ca -0.06 0.05 0.06 0.00 -1.26 0.00 0.00 59.98 58.77 1krx h ARG 21 Cb 0.55 0.18 -0.05 0.00 -1.65 0.00 0.00 29.97 29.00 1krx h ARG 21 CO 0.09 -0.48 -0.03 0.00 0.56 0.00 0.00 179.97 180.11 1krx h ALA 22 N -0.65 0.24 0.00 0.04 0.00 -1.65 0.10 119.26 117.33 1krx h ALA 22 Ca -0.08 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1krx h ALA 22 Cb 0.67 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1krx h ALA 22 CO 0.14 -0.43 -0.20 1.25 0.00 0.00 0.00 179.25 180.01 1krx h LEU 23 N 0.05 0.00 -0.82 0.00 7.12 -1.21 -2.15 115.31 118.30 1krx h LEU 23 Ca 0.14 0.00 -0.12 0.00 0.13 0.00 0.00 57.88 58.03 1krx h LEU 23 Cb 0.20 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.32 1krx h LEU 23 CO -0.27 0.20 -0.48 0.00 -0.13 0.00 0.00 178.44 177.76 1krx h ALA 24 N 1.80 1.00 0.00 1.25 0.00 0.14 -2.39 119.26 121.06 1krx h ALA 24 Ca -0.00 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 1krx h ALA 24 Cb 0.64 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1krx h ALA 24 CO 0.03 0.64 -0.05 0.78 0.00 0.00 0.00 179.25 180.65 1krx h GLY 25 N 1.30 0.00 2.00 0.00 0.00 -0.36 0.14 103.07 106.15 1krx h GLY 25 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1krx h GLY 25 CO 0.08 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.62 1krx h ALA 26 N 1.95 1.00 0.00 3.60 0.00 -1.46 -3.47 119.26 120.88 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 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 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 0.94 1.27 3.45 0.00 0.00 0.49 -5.11 105.19 106.24 1krx n GLY 27 Ca 0.04 -0.17 -0.22 0.00 0.00 0.00 0.00 46.02 45.68 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 2.55 0.09 0.99 1.02 -1.19 -4.82 118.68 117.32 1krx s LEU 28 Ca 0.00 -1.17 -0.25 0.00 0.02 0.00 0.00 54.13 52.73 1krx s LEU 28 Cb 0.00 -0.75 -0.06 0.00 0.02 0.00 0.00 46.19 45.40 1krx s LEU 28 CO 0.00 -0.27 0.76 -0.89 0.02 0.00 0.00 176.35 175.97 1krx s THR 29 N -2.89 4.59 -0.21 5.49 2.01 0.24 -4.15 115.64 120.73 1krx s THR 29 Ca 0.30 1.64 -0.00 0.00 0.31 0.00 0.00 61.69 63.94 1krx s THR 29 Cb 0.03 -4.12 0.05 0.00 0.01 0.00 0.00 72.50 68.47 1krx s THR 29 CO 0.13 0.43 -0.04 0.00 -0.69 0.00 0.00 174.62 174.44 1krx s THR 31 N 1.51 1.83 0.20 0.00 -1.32 -0.94 -4.82 115.64 112.11 1krx s THR 31 Ca -0.03 -1.42 0.08 0.00 -1.21 0.00 0.00 61.69 59.10 1krx s THR 31 Cb -0.18 -1.61 -0.05 0.00 -1.51 0.00 0.00 72.50 69.15 1krx s THR 31 CO -0.07 0.12 -0.15 0.42 -2.21 0.00 0.00 174.62 172.73 1krx s THR 32 N -0.96 1.76 0.30 5.08 -4.23 -1.25 0.05 115.64 116.39 1krx s THR 32 Ca 0.09 -2.19 0.03 0.00 -1.18 0.00 0.00 61.69 58.44 1krx s THR 32 Cb -0.10 -2.03 -0.04 0.00 1.34 0.00 0.00 72.50 71.68 1krx s THR 32 CO 0.03 -0.56 0.16 -0.36 -0.54 0.00 0.00 174.62 173.35 1krx s PHE 33 N -2.86 1.58 0.14 3.99 0.40 0.78 -4.94 117.98 117.07 1krx s PHE 33 Ca 0.22 -1.37 -0.21 0.00 -0.60 0.00 0.00 56.93 54.97 1krx s PHE 33 Cb -0.01 -0.84 -0.00 0.00 0.51 0.00 0.00 43.02 42.67 1krx s PHE 33 CO 0.07 -0.53 1.68 1.05 0.70 0.00 0.00 175.22 178.18 1krx h GLU 34 N 2.24 -0.11 0.00 0.44 -0.00 -1.94 -2.85 114.58 112.36 1krx h GLU 34 Ca -0.34 0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.03 1krx h GLU 34 Cb 1.25 0.03 0.00 0.00 -0.00 0.00 0.00 28.75 30.02 1krx h GLU 34 CO 0.52 -0.07 0.00 0.09 -0.00 0.00 0.00 179.01 179.54 1krx n ASN 35 N -5.28 0.00 0.00 3.06 3.02 -1.26 -3.96 115.26 110.85 1krx n ASN 35 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 1krx n ASN 35 Cb 0.19 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.36 1krx n ASN 35 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1krx n GLY 36 N -0.02 0.69 0.36 7.41 0.00 -1.26 -2.19 105.19 110.17 1krx n GLY 36 Ca 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 46.02 45.96 1krx n GLY 36 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1krx h ASN 37 N 0.00 1.05 0.27 1.61 -0.00 -1.97 -2.92 115.58 113.63 1krx h ASN 37 Ca 0.00 -0.07 -0.00 0.00 -0.00 0.00 0.00 56.30 56.23 1krx h ASN 37 Cb 0.00 -0.27 -0.01 0.00 -0.00 0.00 0.00 38.32 38.04 1krx h ASN 37 CO 0.00 0.82 -0.22 -0.08 -0.00 0.00 0.00 177.43 177.94 1krx h GLU 38 N 1.20 -0.49 -0.59 6.67 4.22 -1.97 -2.81 114.58 120.81 1krx h GLU 38 Ca 0.31 0.03 0.11 0.00 0.08 0.00 0.00 59.36 59.90 1krx h GLU 38 Cb -0.03 0.11 -0.09 0.00 0.50 0.00 0.00 28.75 29.25 1krx h GLU 38 CO -0.06 -0.33 0.10 0.28 -2.18 0.00 0.00 179.01 176.82 1krx h VAL 39 N -0.51 0.62 -0.86 0.32 2.07 -1.92 -0.20 116.25 115.77 1krx h VAL 39 Ca -0.02 -0.08 0.21 0.00 0.82 0.00 0.00 66.70 67.64 1krx h VAL 39 Cb 0.45 0.38 -0.12 0.00 -1.52 0.00 0.00 31.29 30.48 1krx h VAL 39 CO -0.02 0.04 0.33 -0.07 0.02 0.00 0.00 177.57 177.87 1krx h LEU 40 N 0.22 0.22 -0.07 2.57 3.38 -1.32 1.44 115.31 121.76 1krx h LEU 40 Ca 0.31 0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.42 1krx h LEU 40 Cb 0.46 0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 1krx h LEU 40 CO -0.42 -0.02 -0.02 0.00 0.09 0.00 0.00 178.44 178.06 1krx h ALA 41 N 1.69 0.09 0.00 1.53 0.00 -0.86 -2.72 119.26 119.00 1krx h ALA 41 Ca 0.53 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 55.16 1krx h ALA 41 Cb 0.98 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1krx h ALA 41 CO -0.54 -0.17 -0.27 0.00 0.00 0.00 0.00 179.25 178.28 1krx h ALA 42 N 0.64 1.33 0.00 0.00 0.00 -0.10 -2.53 119.26 118.60 1krx h ALA 42 Ca 0.02 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 1krx h ALA 42 Cb 0.45 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1krx h ALA 42 CO 0.01 0.33 -0.26 -0.07 0.00 0.00 0.00 179.25 179.26 1krx h LEU 43 N 0.00 0.00 -2.14 0.00 3.38 0.20 -2.93 115.31 113.83 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 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1krx h LEU 43 CO 0.03 0.26 0.25 0.00 0.09 0.00 0.00 178.44 179.08 1krx h ALA 44 N 1.74 1.25 0.00 1.53 0.00 -1.13 -1.45 119.26 121.20 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 0.85 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1krx h ALA 44 CO 0.03 -0.25 0.00 0.43 0.00 0.00 0.00 179.25 179.46 1krx n SER 45 N -2.87 0.71 -3.64 0.00 7.64 -1.18 -5.08 113.62 109.20 1krx n SER 45 Ca -0.02 -1.17 -0.13 0.00 1.01 0.00 0.00 58.87 58.56 1krx n SER 45 Cb 0.30 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.44 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 -0.17 0.95 -0.13 1.43 2.20 -0.55 -5.15 119.74 118.31 1krx s LYS 46 Ca 0.00 -0.31 -0.04 0.00 -0.36 0.00 0.00 55.97 55.26 1krx s LYS 46 Cb 0.00 0.42 0.05 0.00 -1.51 0.00 0.00 37.83 36.80 1krx s LYS 46 CO 0.00 -0.33 0.07 0.99 -0.36 0.00 0.00 175.35 175.72 1krx s THR 47 N -2.41 0.03 0.83 3.43 2.01 -1.26 -4.10 115.64 114.16 1krx s THR 47 Ca -0.06 -0.05 -0.12 0.00 0.31 0.00 0.00 61.69 61.77 1krx s THR 47 Cb -0.01 -0.53 0.09 0.00 0.01 0.00 0.00 72.50 72.06 1krx s THR 47 CO -0.02 -0.12 1.10 -2.16 -0.69 0.00 0.00 174.62 172.74 1krx s PRO 48 N 2.09 1.82 0.16 4.92 0.04 -1.26 -4.97 135.00 137.80 1krx s PRO 48 Ca 0.03 0.62 0.07 0.00 0.04 0.00 0.00 61.00 61.75 1krx s PRO 48 Cb -0.15 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 1krx s PRO 48 CO -0.07 -1.80 1.37 -0.44 0.04 0.00 0.00 177.00 176.10 1krx h ASP 49 N -1.22 0.06 -2.24 6.66 3.32 -0.04 -3.43 116.42 119.53 1krx h ASP 49 Ca -0.48 -0.05 -0.33 0.00 0.02 0.00 0.00 57.03 56.18 1krx h ASP 49 Cb 1.28 -0.02 -0.34 0.00 0.22 0.00 0.00 39.33 40.47 1krx h ASP 49 CO 0.59 0.93 -0.64 0.54 -1.72 0.00 0.00 179.24 178.94 1krx s VAL 50 N -3.00 -0.38 0.06 -1.35 0.11 -1.17 -4.76 120.40 109.91 1krx s VAL 50 Ca -0.00 -0.43 -0.22 0.00 -2.93 0.00 0.00 61.98 58.40 1krx s VAL 50 Cb 0.11 -0.93 -0.06 0.00 -1.53 0.00 0.00 36.38 33.96 1krx s VAL 50 CO 0.81 -0.43 0.66 -0.22 -3.33 0.00 0.00 175.10 172.59 1krx s LEU 51 N 2.35 4.49 -0.16 2.54 2.96 -1.00 -2.31 118.68 127.53 1krx s LEU 51 Ca 0.09 1.34 0.01 0.00 -0.22 0.00 0.00 54.13 55.35 1krx s LEU 51 Cb -0.14 -3.05 0.01 0.00 0.50 0.00 0.00 46.19 43.51 1krx s LEU 51 CO -0.29 0.15 -0.19 -0.76 -1.32 0.00 0.00 176.35 173.94 1krx s LEU 52 N -0.59 2.20 0.10 -0.68 1.43 0.50 -0.97 118.68 120.67 1krx s LEU 52 Ca 0.33 -0.60 0.10 0.00 -1.03 0.00 0.00 54.13 52.93 1krx s LEU 52 Cb -0.20 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 1krx s LEU 52 CO 0.21 0.04 -0.25 -0.55 0.23 0.00 0.00 176.35 176.02 1krx s SER 53 N 1.07 3.40 0.70 2.29 0.15 0.33 0.96 113.70 122.61 1krx s SER 53 Ca -0.01 -0.66 0.00 0.00 0.70 0.00 0.00 55.95 55.98 1krx s SER 53 Cb -0.14 -0.31 0.00 0.00 -1.71 0.00 0.00 66.02 63.86 1krx s SER 53 CO -0.07 0.20 0.00 -0.67 1.20 0.00 0.00 173.24 173.90 1krx n ASP 54 N 1.14 -0.23 -2.72 5.45 -0.08 0.25 -2.46 116.55 117.89 1krx n ASP 54 Ca -0.17 -0.58 -0.06 0.00 -1.51 0.00 0.00 54.79 52.46 1krx n ASP 54 Cb 0.53 0.00 0.05 0.00 2.34 0.00 0.00 41.12 44.04 1krx n ASP 54 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1krx n ILE 55 N -1.57 0.00 0.00 5.18 3.06 -1.26 -4.59 119.36 120.18 1krx n ILE 55 Ca 0.00 -1.12 0.00 0.00 -2.50 0.00 0.00 62.75 59.13 1krx n ILE 55 Cb 0.00 1.25 0.00 0.00 0.54 0.00 0.00 39.64 41.43 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 1.88 0.00 0.17 9.51 0.63 -0.19 -4.28 116.66 124.38 1krx n ARG 56 Ca 0.09 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.02 1krx n ARG 56 Cb 0.64 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.55 1krx n ARG 56 CO 0.00 0.00 0.00 -0.12 -2.51 0.00 0.00 177.63 175.00 1krx n MET 57 N 0.00 0.00 -0.04 -0.14 1.56 0.32 -4.98 117.12 113.84 1krx n MET 57 Ca 0.00 0.00 -0.03 0.00 -0.27 0.00 0.00 57.70 57.40 1krx n MET 57 Cb 0.00 0.00 0.03 0.00 2.15 0.00 0.00 33.22 35.40 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 -3.22 -2.14 0.00 2.12 -0.04 -1.14 -4.86 135.00 125.72 1krx n PRO 58 Ca 0.00 -0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1krx n PRO 58 Cb 0.00 -0.21 0.00 0.00 -0.04 0.00 0.00 33.50 33.25 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 -0.24 -3.14 2.87 0.55 0.00 -1.26 -3.11 105.19 100.86 1krx n GLY 59 Ca 0.02 0.26 -0.30 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.90 1.65 0.00 1.61 2.81 -1.26 -4.74 117.12 116.28 1krx n MET 60 Ca 0.00 -1.55 0.00 0.00 -1.81 0.00 0.00 57.70 54.34 1krx n MET 60 Cb 0.00 -2.62 0.00 0.00 -0.71 0.00 0.00 33.22 29.89 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 5.77 0.00 0.00 7.83 5.75 -1.18 -1.42 116.55 133.30 1krx n ASP 61 Ca 0.44 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.22 1krx n ASP 61 Cb 0.25 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.34 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 0.06 0.40 6.12 0.00 -1.26 0.12 105.19 110.62 1krx n GLY 62 Ca 0.00 -0.03 0.21 0.00 0.00 0.00 0.00 46.02 46.20 1krx n GLY 62 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1krx h LEU 63 N 0.00 0.00 -1.64 0.99 4.07 -1.54 0.40 115.31 117.60 1krx h LEU 63 Ca 0.00 0.00 0.12 0.00 0.08 0.00 0.00 57.88 58.08 1krx h LEU 63 Cb 0.00 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.70 1krx h LEU 63 CO 0.00 0.00 0.44 0.00 -1.08 0.00 0.00 178.44 177.80 1krx h ALA 64 N 1.38 2.08 0.00 1.53 0.00 -1.86 0.49 119.26 122.88 1krx h ALA 64 Ca 0.21 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1krx h ALA 64 Cb 1.23 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1krx h ALA 64 CO -0.00 -0.24 -0.15 1.37 0.00 0.00 0.00 179.25 180.23 1krx h LEU 65 N 0.39 0.00 -0.53 0.00 8.10 -0.51 -1.63 115.31 121.13 1krx h LEU 65 Ca 0.31 0.00 -0.08 0.00 0.11 0.00 0.00 57.88 58.22 1krx h LEU 65 Cb 0.68 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.88 1krx h LEU 65 CO -0.09 0.15 0.01 -0.07 -4.11 0.00 0.00 178.44 174.33 1krx h LEU 66 N 0.00 0.90 -0.29 0.17 4.07 -0.13 -2.55 115.31 117.48 1krx h LEU 66 Ca -0.00 -0.30 0.06 0.00 0.08 0.00 0.00 57.88 57.72 1krx h LEU 66 Cb 0.37 -0.24 -0.06 0.00 1.08 0.00 0.00 40.66 41.81 1krx h LEU 66 CO 0.02 0.98 -0.13 0.11 -1.08 0.00 0.00 178.44 178.35 1krx h LYS 67 N 0.80 -0.08 -0.74 1.13 1.79 -1.15 -0.73 116.57 117.59 1krx h LYS 67 Ca 0.15 0.01 0.12 0.00 -2.18 0.00 0.00 60.65 58.74 1krx h LYS 67 Cb 0.52 0.02 -0.08 0.00 -1.58 0.00 0.00 32.23 31.10 1krx h LYS 67 CO 0.03 -0.05 0.35 1.96 -1.08 0.00 0.00 179.45 180.65 1krx h GLN 68 N -0.08 0.54 -0.57 3.15 4.20 -1.38 -1.82 115.11 119.14 1krx h GLN 68 Ca 0.15 -0.03 0.07 0.00 0.06 0.00 0.00 58.65 58.89 1krx h GLN 68 Cb 0.31 -0.12 -0.06 0.00 0.30 0.00 0.00 27.48 27.91 1krx h GLN 68 CO -0.34 0.36 0.26 0.82 -0.67 0.00 0.00 178.83 179.26 1krx h ILE 69 N 0.56 0.88 0.00 2.54 2.04 -0.74 0.06 117.51 122.84 1krx h ILE 69 Ca 0.39 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 66.05 1krx h ILE 69 Cb 0.49 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1krx h ILE 69 CO -0.32 0.09 -0.15 0.07 0.00 0.00 0.00 178.15 177.83 1krx h LYS 70 N 0.48 0.00 0.07 2.37 2.10 -0.64 0.51 116.57 121.45 1krx h LYS 70 Ca 0.27 0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 58.66 1krx h LYS 70 Cb 0.25 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.60 1krx h LYS 70 CO -0.23 0.15 -1.04 1.96 -2.00 0.00 0.00 179.45 178.30 1krx h GLN 71 N 0.00 0.59 0.00 0.07 4.20 -0.67 -3.33 115.11 115.96 1krx h GLN 71 Ca -0.00 -0.72 0.00 0.00 0.06 0.00 0.00 58.65 57.99 1krx h GLN 71 Cb 0.30 0.23 0.00 0.00 0.30 0.00 0.00 27.48 28.31 1krx h GLN 71 CO 0.02 1.31 0.00 0.54 -0.67 0.00 0.00 178.83 180.03 1krx n ARG 72 N -3.92 0.00 -3.51 1.46 3.00 -0.16 -4.82 116.66 108.72 1krx n ARG 72 Ca -0.12 0.11 -0.36 0.00 -0.01 0.00 0.00 57.85 57.47 1krx n ARG 72 Cb 0.89 -0.50 -0.06 0.00 0.00 0.00 0.00 32.46 32.79 1krx n ARG 72 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.63 175.24 1krx n HIS 73 N -1.97 3.85 0.86 -1.55 1.44 0.17 -4.92 115.22 113.11 1krx n HIS 73 Ca 0.00 -3.91 0.00 0.00 -2.01 0.00 0.00 57.72 51.80 1krx n HIS 73 Cb 0.00 -1.06 0.00 0.00 0.12 0.00 0.00 29.99 29.05 1krx n HIS 73 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 1krx n PRO 74 N 1.91 0.86 0.00 -1.40 -0.04 -0.65 -3.37 135.00 132.31 1krx n PRO 74 Ca 0.24 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 1krx n PRO 74 Cb 0.37 -1.09 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 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 0.54 0.92 -2.09 0.54 2.81 -1.24 -4.51 117.12 114.10 1krx n MET 75 Ca 0.00 0.00 -0.40 0.00 -1.81 0.00 0.00 57.70 55.49 1krx n MET 75 Cb 0.42 -0.65 -0.01 0.00 -0.71 0.00 0.00 33.22 32.27 1krx n MET 75 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 1krx s LEU 76 N -2.23 4.28 0.07 4.03 2.96 -1.22 -4.71 118.68 121.86 1krx s LEU 76 Ca 0.00 2.65 -0.30 0.00 -0.22 0.00 0.00 54.13 56.26 1krx s LEU 76 Cb 0.00 -3.83 -0.05 0.00 0.50 0.00 0.00 46.19 42.81 1krx s LEU 76 CO 0.00 -0.74 1.09 -2.16 -1.32 0.00 0.00 176.35 173.22 1krx s PRO 77 N -2.10 4.53 -0.04 0.98 0.04 -1.25 -4.54 135.00 132.62 1krx s PRO 77 Ca 0.54 1.62 0.02 0.00 0.04 0.00 0.00 61.00 63.22 1krx s PRO 77 Cb -0.38 -3.37 -0.03 0.00 0.04 0.00 0.00 34.50 30.75 1krx s PRO 77 CO 0.50 -0.09 -0.08 0.08 0.04 0.00 0.00 177.00 177.44 1krx s VAL 78 N 0.72 3.55 -0.15 -0.36 1.01 -1.26 -2.38 120.40 121.53 1krx s VAL 78 Ca 0.54 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.87 1krx s VAL 78 Cb -0.26 -2.47 0.04 0.00 0.00 0.00 0.00 36.38 33.69 1krx s VAL 78 CO 0.30 0.52 -0.04 -0.63 0.00 0.00 0.00 175.10 175.25 1krx s ILE 79 N -0.86 0.97 0.10 2.22 1.01 -0.14 -0.44 121.20 124.06 1krx s ILE 79 Ca 0.14 -0.50 -0.10 0.00 0.00 0.00 0.00 60.65 60.19 1krx s ILE 79 Cb -0.11 -1.15 -0.06 0.00 0.01 0.00 0.00 42.46 41.15 1krx s ILE 79 CO 0.03 0.15 0.42 -0.63 0.00 0.00 0.00 174.94 174.91 1krx s ILE 80 N 1.70 5.06 -0.18 2.92 -1.09 -1.17 0.12 121.20 128.57 1krx s ILE 80 Ca 0.02 0.46 0.16 0.00 -2.23 0.00 0.00 60.65 59.05 1krx s ILE 80 Cb -0.15 -3.65 0.07 0.00 -1.58 0.00 0.00 42.46 37.15 1krx s ILE 80 CO -0.08 0.24 1.41 0.00 -1.23 0.00 0.00 174.94 175.28 1krx h MET 81 N 3.55 0.00 -3.18 2.79 -0.00 -1.66 -1.98 114.93 114.44 1krx h MET 81 Ca -0.49 0.00 -0.13 0.00 -0.00 0.00 0.00 59.70 59.09 1krx h MET 81 Cb 1.19 0.00 -0.20 0.00 -0.00 0.00 0.00 31.60 32.58 1krx h MET 81 CO 0.67 0.44 -0.34 0.99 -0.00 0.00 0.00 176.91 178.67 1krx s THR 82 N -2.98 0.06 -0.55 -0.10 2.01 -0.44 -1.94 115.64 111.71 1krx s THR 82 Ca 0.04 -0.51 0.07 0.00 0.31 0.00 0.00 61.69 61.59 1krx s THR 82 Cb 0.07 -0.55 0.27 0.00 0.01 0.00 0.00 72.50 72.30 1krx s THR 82 CO 0.75 -0.28 0.71 0.00 -0.69 0.00 0.00 174.62 175.10 1krx n ALA 83 N 1.41 3.55 -2.49 7.40 0.00 -1.25 -4.79 120.51 124.35 1krx n ALA 83 Ca -0.21 -4.29 -0.42 0.00 0.00 0.00 0.00 53.44 48.51 1krx n ALA 83 Cb 0.56 -0.86 -0.09 0.00 0.00 0.00 0.00 19.45 19.06 1krx n ALA 83 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1krx s HIS 84 N -2.23 3.20 0.37 0.00 -3.43 -1.26 -4.90 115.29 107.05 1krx s HIS 84 Ca 0.40 -0.38 0.00 0.00 -0.80 0.00 0.00 55.06 54.28 1krx s HIS 84 Cb 0.18 -2.73 0.00 0.00 -1.43 0.00 0.00 32.58 28.60 1krx s HIS 84 CO -0.06 -0.60 0.00 0.45 -2.00 0.00 0.00 174.74 172.53 1krx n SER 85 N 5.39 -6.33 -0.67 7.38 2.88 -1.26 -4.76 113.62 116.25 1krx n SER 85 Ca -0.09 0.80 -0.09 0.00 -1.33 0.00 0.00 58.87 58.16 1krx n SER 85 Cb 0.48 -3.90 -0.04 0.00 -0.75 0.00 0.00 64.21 60.00 1krx n SER 85 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1krx n ASP 86 N -4.23 -5.47 -0.05 -3.46 9.92 -1.26 -4.82 116.55 107.18 1krx n ASP 86 Ca -0.03 0.22 0.24 0.00 -0.53 0.00 0.00 54.79 54.68 1krx n ASP 86 Cb 0.62 -3.75 0.59 0.00 -0.64 0.00 0.00 41.12 37.94 1krx n ASP 86 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 1krx h LEU 87 N 0.00 0.00 -0.96 0.64 3.38 -1.90 -1.06 115.31 115.41 1krx h LEU 87 Ca -0.18 0.00 0.23 0.00 0.09 0.00 0.00 57.88 58.02 1krx h LEU 87 Cb 1.05 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.67 1krx h LEU 87 CO 0.26 0.00 0.51 0.44 0.09 0.00 0.00 178.44 179.75 1krx h ASP 88 N 0.00 0.55 0.98 -0.43 3.32 -2.01 0.41 116.42 119.24 1krx h ASP 88 Ca 0.33 0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.50 1krx h ASP 88 Cb 2.00 0.07 -0.00 0.00 0.22 0.00 0.00 39.33 41.61 1krx h ASP 88 CO -0.00 0.08 -0.11 0.00 -1.72 0.00 0.00 179.24 177.48 1krx h ALA 89 N 1.71 1.02 -0.18 3.45 0.00 -1.55 -2.89 119.26 120.83 1krx h ALA 89 Ca 0.60 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 55.28 1krx h ALA 89 Cb 1.12 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1krx h ALA 89 CO -0.49 0.14 -0.44 0.00 0.00 0.00 0.00 179.25 178.46 1krx h ALA 90 N 1.89 0.91 -0.45 0.00 0.00 -0.33 -3.05 119.26 118.23 1krx h ALA 90 Ca -0.00 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1krx h ALA 90 Cb 0.63 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1krx h ALA 90 CO 0.01 0.64 0.26 0.28 0.00 0.00 0.00 179.25 180.45 1krx h VAL 91 N 0.35 1.15 -0.21 0.00 2.07 -1.33 -2.82 116.25 115.46 1krx h VAL 91 Ca 0.03 -0.36 0.02 0.00 0.82 0.00 0.00 66.70 67.21 1krx h VAL 91 Cb 0.92 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1krx h VAL 91 CO 0.08 0.16 0.06 0.28 0.02 0.00 0.00 177.57 178.16 1krx h SER 92 N 0.60 0.05 -0.87 0.57 0.02 -1.62 -2.23 113.55 110.07 1krx h SER 92 Ca 0.16 0.03 0.22 0.00 -0.84 0.00 0.00 61.79 61.36 1krx h SER 92 Cb 0.02 0.03 -0.13 0.00 0.14 0.00 0.00 62.40 62.46 1krx h SER 92 CO -0.03 0.06 0.31 0.00 -1.14 0.00 0.00 176.83 176.03 1krx h ALA 93 N 1.14 1.33 -0.32 3.77 0.00 -1.40 1.38 119.26 125.16 1krx h ALA 93 Ca 0.09 0.18 0.09 0.00 0.00 0.00 0.00 54.91 55.28 1krx h ALA 93 Cb 0.07 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1krx h ALA 93 CO -0.11 -0.39 0.33 1.88 0.00 0.00 0.00 179.25 180.96 1krx h TYR 94 N 0.31 0.00 -0.08 0.00 0.05 -1.20 0.34 116.97 116.39 1krx h TYR 94 Ca 0.54 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 59.29 1krx h TYR 94 Cb 1.05 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.78 1krx h TYR 94 CO -0.20 0.00 -0.07 -0.56 -1.05 0.00 0.00 178.16 176.29 1krx h GLN 95 N 0.00 0.19 0.00 4.88 3.07 0.19 -3.09 115.11 120.35 1krx h GLN 95 Ca 0.15 -0.09 0.00 0.00 0.09 0.00 0.00 58.65 58.80 1krx h GLN 95 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.37 1krx h GLN 95 CO -0.00 0.61 0.00 1.96 0.09 0.00 0.00 178.83 181.48 1krx h GLN 96 N -0.23 0.00 0.00 0.06 1.08 -0.93 -3.46 115.11 111.63 1krx h GLN 96 Ca 0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1krx h GLN 96 Cb 0.57 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.00 1krx h GLN 96 CO 0.02 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.31 1krx n GLY 97 N 0.29 1.66 3.75 3.46 0.00 -0.37 -3.62 105.19 110.37 1krx n GLY 97 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.66 2.80 -0.06 4.61 0.00 -0.08 -3.88 121.76 123.49 1krx s ALA 98 Ca 0.00 1.25 -0.21 0.00 0.00 0.00 0.00 51.96 53.01 1krx s ALA 98 Cb 0.00 -3.53 -0.16 0.00 0.00 0.00 0.00 23.12 19.43 1krx s ALA 98 CO 0.00 -1.27 0.81 0.35 0.00 0.00 0.00 175.76 175.64 1krx h PHE 99 N 1.46 -0.15 0.00 0.00 3.57 -1.04 -3.43 116.94 117.34 1krx h PHE 99 Ca -0.51 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 60.99 1krx h PHE 99 Cb 1.29 0.05 0.00 0.00 2.79 0.00 0.00 35.95 40.08 1krx h PHE 99 CO 0.47 0.32 0.00 -3.47 -2.23 0.00 0.00 178.31 173.40 1krx n ASP 100 N -4.87 0.00 -4.19 0.41 -0.08 -1.13 -5.01 116.55 101.68 1krx n ASP 100 Ca -0.07 0.00 -0.17 0.00 -1.51 0.00 0.00 54.79 53.04 1krx n ASP 100 Cb 0.27 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.62 1krx n ASP 100 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 1krx s TYR 101 N -3.00 1.20 0.01 -0.67 1.51 -1.26 -3.04 117.35 112.10 1krx s TYR 101 Ca 0.00 -0.56 -0.02 0.00 -1.01 0.00 0.00 57.07 55.48 1krx s TYR 101 Cb 0.00 -0.65 -0.01 0.00 -0.11 0.00 0.00 41.96 41.19 1krx s TYR 101 CO 0.00 0.06 0.02 -1.17 -1.11 0.00 0.00 175.55 173.35 1krx s LEU 102 N -2.19 2.02 0.89 -1.29 0.20 -0.75 -4.95 118.68 112.60 1krx s LEU 102 Ca 0.03 -0.40 -0.11 0.00 0.69 0.00 0.00 54.13 54.35 1krx s LEU 102 Cb -0.06 0.29 0.13 0.00 -0.43 0.00 0.00 46.19 46.11 1krx s LEU 102 CO 0.02 -0.32 1.11 -2.16 -0.29 0.00 0.00 176.35 174.71 1krx s PRO 103 N -1.42 1.29 0.18 0.98 0.04 -1.22 -1.32 135.00 133.52 1krx s PRO 103 Ca -0.15 1.30 -0.07 0.00 0.04 0.00 0.00 61.00 62.11 1krx s PRO 103 Cb -0.09 -1.78 0.27 0.00 0.04 0.00 0.00 34.50 32.94 1krx s PRO 103 CO -0.00 -2.36 1.06 1.17 0.04 0.00 0.00 177.00 176.90 1krx n LYS 104 N -4.03 -0.09 -0.86 4.56 3.00 -0.82 -4.44 118.16 115.49 1krx n LYS 104 Ca 0.10 1.06 -0.34 0.00 -0.00 0.00 0.00 58.31 59.12 1krx n LYS 104 Cb 0.53 -1.57 0.10 0.00 0.00 0.00 0.00 35.03 34.08 1krx n LYS 104 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1krx n PRO 105 N -5.07 -0.38 0.00 1.64 -0.04 -1.26 -4.81 135.00 125.07 1krx n PRO 105 Ca 0.10 -0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1krx n PRO 105 Cb 0.32 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 1krx n PRO 105 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1krx n PHE 106 N -3.39 0.00 -0.64 0.54 -0.00 -1.26 -4.93 117.46 107.79 1krx n PHE 106 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.47 1krx n PHE 106 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.06 1krx n PHE 106 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.76 176.36 1krx n ASP 107 N 0.00 -0.70 -0.05 -2.13 5.68 -1.26 0.19 116.55 118.28 1krx n ASP 107 Ca 0.00 0.00 -0.12 0.00 -0.50 0.00 0.00 54.79 54.17 1krx n ASP 107 Cb 0.00 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 39.91 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 0.00 1.30 0.08 2.12 5.03 -1.96 0.17 117.51 124.26 1krx h ILE 108 Ca 0.00 -1.06 0.02 0.00 -0.12 0.00 0.00 64.86 63.70 1krx h ILE 108 Cb 0.00 1.71 -0.05 0.00 -3.03 0.00 0.00 36.82 35.45 1krx h ILE 108 CO 0.00 0.31 -0.44 0.44 -0.68 0.00 0.00 178.15 177.77 1krx h ASP 109 N -0.04 -1.33 0.73 1.72 5.19 -1.98 0.85 116.42 121.56 1krx h ASP 109 Ca 0.03 0.15 -0.20 0.00 -0.62 0.00 0.00 57.03 56.39 1krx h ASP 109 Cb 0.50 0.50 -0.02 0.00 0.18 0.00 0.00 39.33 40.50 1krx h ASP 109 CO 0.02 -0.50 -0.94 -0.33 -3.12 0.00 0.00 179.24 174.37 1krx h GLU 110 N -0.65 0.12 0.00 3.56 4.39 -0.33 -2.74 114.58 118.93 1krx h GLU 110 Ca 0.02 -0.16 -0.08 0.00 0.34 0.00 0.00 59.36 59.49 1krx h GLU 110 Cb 0.69 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.38 1krx h GLU 110 CO -0.28 0.97 -0.43 0.00 -1.16 0.00 0.00 179.01 178.11 1krx h ALA 111 N 0.97 0.09 -0.20 3.43 0.00 0.16 -3.04 119.26 120.68 1krx h ALA 111 Ca -0.04 -0.74 0.02 0.00 0.00 0.00 0.00 54.91 54.14 1krx h ALA 111 Cb 1.61 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.64 1krx h ALA 111 CO 0.14 0.24 0.13 0.28 0.00 0.00 0.00 179.25 180.04 1krx h VAL 112 N -0.99 1.01 0.13 0.00 2.07 0.62 0.31 116.25 119.39 1krx h VAL 112 Ca -0.12 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 1krx h VAL 112 Cb 1.11 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1krx h VAL 112 CO -0.07 0.04 -0.07 0.00 0.02 0.00 0.00 177.57 177.49 1krx h ALA 113 N 1.88 -0.18 0.00 1.67 0.00 -1.50 -1.11 119.26 120.02 1krx h ALA 113 Ca 0.08 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1krx h ALA 113 Cb 0.07 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1krx h ALA 113 CO -0.02 -0.60 -0.13 1.25 0.00 0.00 0.00 179.25 179.76 1krx h LEU 114 N -0.18 0.00 0.04 0.00 5.85 -1.15 -2.96 115.31 116.91 1krx h LEU 114 Ca -0.02 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 41.18 1krx h LEU 114 CO 0.02 0.13 -0.26 1.62 -0.34 0.00 0.00 178.44 179.60 1krx h VAL 115 N 0.00 1.69 -0.65 1.05 3.04 -0.13 -3.10 116.25 118.14 1krx h VAL 115 Ca -0.00 -2.35 -0.08 0.00 -1.01 0.00 0.00 66.70 63.26 1krx h VAL 115 Cb 0.89 3.26 -0.03 0.00 -2.01 0.00 0.00 31.29 33.41 1krx h VAL 115 CO 0.02 0.63 0.11 -0.33 -1.01 0.00 0.00 177.57 176.99 1krx h GLU 116 N -0.76 1.07 0.00 4.17 5.08 -1.31 -2.01 114.58 120.83 1krx h GLU 116 Ca -0.04 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.02 1krx h GLU 116 Cb 1.18 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.30 1krx h GLU 116 CO 0.05 0.99 -0.07 0.07 -1.00 0.00 0.00 179.01 179.05 1krx h ARG 117 N 0.99 0.00 -0.01 2.33 0.11 -1.65 -1.38 114.38 114.77 1krx h ARG 117 Ca 0.20 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.28 1krx h ARG 117 Cb 0.43 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.51 1krx h ARG 117 CO 0.01 0.07 -0.01 0.00 0.10 0.00 0.00 179.97 180.14 1krx h ALA 118 N 1.93 0.01 -0.11 0.08 0.00 -1.28 -2.11 119.26 117.78 1krx h ALA 118 Ca -0.00 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 1krx h ALA 118 Cb 0.18 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1krx h ALA 118 CO 0.01 -0.22 -0.26 0.82 0.00 0.00 0.00 179.25 179.60 1krx h ILE 119 N -0.51 1.24 -0.08 0.00 2.04 -1.25 -2.48 117.51 116.48 1krx h ILE 119 Ca 0.00 -1.11 -0.11 0.00 1.00 0.00 0.00 64.86 64.64 1krx h ILE 119 Cb 0.54 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 1krx h ILE 119 CO 0.00 0.33 -0.46 -1.28 0.00 0.00 0.00 178.15 176.75 1krx h SER 120 N 0.18 0.20 0.72 1.72 0.87 -1.25 -2.71 113.55 113.29 1krx h SER 120 Ca 0.03 -0.09 -0.05 0.00 -1.23 0.00 0.00 61.79 60.45 1krx h SER 120 Cb 0.57 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 1krx h SER 120 CO 0.04 0.64 -0.24 0.45 -0.53 0.00 0.00 176.83 177.19 1krx h HIS 121 N 0.16 0.00 -0.20 2.24 3.86 -0.90 -1.08 115.15 119.23 1krx h HIS 121 Ca 0.01 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.19 1krx h HIS 121 Cb 0.88 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.34 1krx h HIS 121 CO 0.01 0.24 -0.00 1.88 0.86 0.00 0.00 177.93 180.92 1krx h TYR 122 N 0.00 0.38 0.05 2.45 0.05 -1.37 -3.33 116.97 115.20 1krx h TYR 122 Ca -0.00 -0.07 -0.00 0.00 0.05 0.00 0.00 58.73 58.71 1krx h TYR 122 Cb 0.67 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 38.31 1krx h TYR 122 CO 0.00 0.55 -0.02 -0.56 -1.05 0.00 0.00 178.16 177.08 1krx h GLN 123 N 0.10 -0.06 0.00 4.88 3.07 -1.57 -3.52 115.11 118.00 1krx h GLN 123 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.80 1krx h GLN 123 Cb 0.40 0.01 0.00 0.00 0.08 0.00 0.00 27.48 27.97 1krx h GLN 123 CO 0.01 0.39 0.00 -1.91 0.09 0.00 0.00 178.83 177.41