#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1krx s GLN 2 N 0.00 3.09 0.62 2.12 1.11 -1.26 -4.99 119.66 120.36 1krx s GLN 2 Ca 0.00 -0.67 0.32 0.00 0.01 0.00 0.00 55.36 55.02 1krx s GLN 2 Cb 0.00 -2.57 1.81 0.00 -1.01 0.00 0.00 33.01 31.24 1krx s GLN 2 CO 0.00 0.37 2.11 -0.09 0.01 0.00 0.00 175.29 177.69 1krx h ARG 3 N 6.20 0.00 -5.54 2.91 2.43 -2.02 -3.47 114.38 114.89 1krx h ARG 3 Ca -0.34 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 58.76 1krx h ARG 3 Cb 1.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 1krx h ARG 3 CO 0.54 0.00 -0.55 0.41 -1.51 0.00 0.00 179.97 178.86 1krx n GLY 4 N -1.30 -1.08 3.20 2.80 0.00 -1.26 -4.63 105.19 102.92 1krx n GLY 4 Ca 0.00 1.10 -0.34 0.00 0.00 0.00 0.00 46.02 46.78 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 -2.52 2.66 -0.17 -0.61 1.09 -1.26 0.03 121.20 120.43 1krx s ILE 5 Ca 0.22 -0.81 -0.00 0.00 -1.10 0.00 0.00 60.65 58.95 1krx s ILE 5 Cb -0.05 -2.21 0.00 0.00 -1.06 0.00 0.00 42.46 39.14 1krx s ILE 5 CO 0.79 0.43 -0.15 0.54 -0.10 0.00 0.00 174.94 176.45 1krx s VAL 6 N 1.36 2.66 -0.11 2.92 0.11 0.30 0.10 120.40 127.73 1krx s VAL 6 Ca 0.04 -0.76 0.01 0.00 -2.93 0.00 0.00 61.98 58.34 1krx s VAL 6 Cb -0.14 -2.13 -0.01 0.00 -1.53 0.00 0.00 36.38 32.56 1krx s VAL 6 CO -0.08 0.51 -0.16 0.26 -3.33 0.00 0.00 175.10 172.30 1krx s TRP 7 N 0.97 2.73 -0.02 1.54 0.52 -1.11 -1.52 118.94 122.06 1krx s TRP 7 Ca -0.02 -0.67 0.07 0.00 0.02 0.00 0.00 56.10 55.50 1krx s TRP 7 Cb -0.15 -1.78 -0.02 0.00 -1.15 0.00 0.00 33.47 30.37 1krx s TRP 7 CO -0.02 -0.21 -0.24 0.08 0.02 0.00 0.00 176.95 176.58 1krx s VAL 8 N 0.21 1.90 -0.27 4.03 1.01 0.17 -0.08 120.40 127.37 1krx s VAL 8 Ca -0.10 -1.03 0.01 0.00 0.00 0.00 0.00 61.98 60.86 1krx s VAL 8 Cb -0.16 -1.58 0.08 0.00 0.00 0.00 0.00 36.38 34.72 1krx s VAL 8 CO 0.06 0.54 0.01 -0.69 0.00 0.00 0.00 175.10 175.01 1krx s VAL 9 N -0.55 1.47 0.00 2.92 1.01 0.31 -0.32 120.40 125.25 1krx s VAL 9 Ca 0.09 -1.44 0.00 0.00 0.00 0.00 0.00 61.98 60.62 1krx s VAL 9 Cb -0.09 -1.90 0.00 0.00 0.00 0.00 0.00 36.38 34.39 1krx s VAL 9 CO -0.01 -0.33 0.00 -0.67 0.00 0.00 0.00 175.10 174.09 1krx n ASP 10 N 4.65 0.00 0.00 3.32 -0.08 -1.05 0.26 116.55 123.65 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 0.43 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.89 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 -1.18 -4.46 116.55 112.49 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 -0.69 0.00 0.00 2.34 0.00 0.00 41.12 42.77 1krx n ASP 11 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1krx n ASP 12 N 0.00 -0.35 0.00 1.67 5.68 -1.21 -4.30 116.55 118.04 1krx n ASP 12 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1krx n ASP 12 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1krx n ASP 12 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1krx n SER 13 N -3.78 0.00 0.18 -1.12 2.88 -1.26 0.43 113.62 110.95 1krx n SER 13 Ca 0.00 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.39 1krx n SER 13 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 1krx n SER 13 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1krx h SER 14 N 0.00 -1.15 0.05 -3.46 0.02 -1.94 0.34 113.55 107.41 1krx h SER 14 Ca 0.00 0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1krx h SER 14 Cb 0.00 0.41 -0.00 0.00 0.14 0.00 0.00 62.40 62.95 1krx h SER 14 CO 0.00 -0.52 -0.00 0.40 -1.14 0.00 0.00 176.83 175.57 1krx h ILE 15 N -0.74 0.05 0.12 3.27 1.08 -0.25 -2.94 117.51 118.11 1krx h ILE 15 Ca -0.01 -0.03 -0.01 0.00 -0.39 0.00 0.00 64.86 64.43 1krx h ILE 15 Cb 0.70 1.03 0.00 0.00 -3.07 0.00 0.00 36.82 35.48 1krx h ILE 15 CO -0.15 0.00 -0.06 -0.09 -0.69 0.00 0.00 178.15 177.17 1krx h ARG 16 N 0.00 -0.15 -0.93 2.37 2.43 -0.64 -3.11 114.38 114.34 1krx h ARG 16 Ca -0.00 0.01 0.26 0.00 -0.81 0.00 0.00 59.98 59.44 1krx h ARG 16 Cb 0.03 0.04 -0.14 0.00 -0.42 0.00 0.00 29.97 29.47 1krx h ARG 16 CO 0.00 -0.10 0.37 2.35 -1.51 0.00 0.00 179.97 181.08 1krx h TRP 17 N -0.93 0.59 0.49 2.20 7.01 -0.28 0.82 115.95 125.84 1krx h TRP 17 Ca -0.02 0.04 -0.02 0.00 2.11 0.00 0.00 58.89 61.00 1krx h TRP 17 Cb 0.12 -0.11 0.00 0.00 -2.10 0.00 0.00 29.16 27.08 1krx h TRP 17 CO 0.00 -0.17 -0.24 0.28 -2.79 0.00 0.00 178.44 175.52 1krx h VAL 18 N 0.28 0.00 0.00 2.65 2.07 -1.67 -3.10 116.25 116.47 1krx h VAL 18 Ca 0.61 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 67.83 1krx h VAL 18 Cb 1.29 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1krx h VAL 18 CO -0.62 0.00 -0.23 -0.07 0.02 0.00 0.00 177.57 176.67 1krx h LEU 19 N -0.91 0.00 0.48 2.57 3.38 -1.39 -2.71 115.31 116.73 1krx h LEU 19 Ca -0.07 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1krx h LEU 19 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1krx h LEU 19 CO 0.11 0.23 -0.23 1.05 0.09 0.00 0.00 178.44 179.69 1krx h GLU 20 N 0.00 -0.62 0.75 1.13 4.11 0.58 -1.64 114.58 118.89 1krx h GLU 20 Ca -0.00 0.04 -0.04 0.00 0.07 0.00 0.00 59.36 59.43 1krx h GLU 20 Cb 0.53 0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.93 1krx h GLU 20 CO 0.03 -0.32 -0.36 0.00 0.07 0.00 0.00 179.01 178.43 1krx h ARG 21 N -0.92 -0.97 -0.74 1.06 2.47 -1.56 0.56 114.38 114.29 1krx h ARG 21 Ca -0.07 0.07 0.12 0.00 -1.26 0.00 0.00 59.98 58.84 1krx h ARG 21 Cb 0.59 0.22 -0.08 0.00 -1.65 0.00 0.00 29.97 29.05 1krx h ARG 21 CO 0.11 -0.63 0.33 0.00 0.56 0.00 0.00 179.97 180.34 1krx h ALA 22 N -1.02 1.03 0.00 0.04 0.00 -1.60 0.14 119.26 117.85 1krx h ALA 22 Ca -0.10 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1krx h ALA 22 Cb 0.79 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1krx h ALA 22 CO 0.17 -0.13 -0.32 1.25 0.00 0.00 0.00 179.25 180.22 1krx h LEU 23 N 0.53 0.00 -0.87 0.00 5.85 -1.30 -2.70 115.31 116.81 1krx h LEU 23 Ca 0.39 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 59.00 1krx h LEU 23 Cb 0.50 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 1krx h LEU 23 CO -0.34 0.32 -0.28 0.00 -0.34 0.00 0.00 178.44 177.81 1krx h ALA 24 N 1.68 1.04 0.00 1.25 0.00 0.16 -1.88 119.26 121.51 1krx h ALA 24 Ca -0.00 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1krx h ALA 24 Cb 0.91 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1krx h ALA 24 CO 0.04 0.58 -0.09 0.78 0.00 0.00 0.00 179.25 180.56 1krx h GLY 25 N 1.03 0.00 2.00 0.00 0.00 -0.83 -0.67 103.07 104.60 1krx h GLY 25 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1krx h GLY 25 CO 0.05 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.59 1krx h ALA 26 N 1.91 1.00 0.00 3.60 0.00 -1.34 -3.47 119.26 120.96 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 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 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 1.02 1.62 3.48 0.00 0.00 -0.26 -5.12 105.19 105.94 1krx n GLY 27 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 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 2.29 -0.47 0.99 1.02 -1.18 -4.77 118.68 116.57 1krx s LEU 28 Ca 0.00 -1.39 -0.16 0.00 0.02 0.00 0.00 54.13 52.61 1krx s LEU 28 Cb 0.00 -0.46 0.07 0.00 0.02 0.00 0.00 46.19 45.81 1krx s LEU 28 CO 0.00 -0.59 0.40 -0.89 0.02 0.00 0.00 176.35 175.29 1krx s THR 29 N -3.20 5.21 -0.38 5.49 2.01 0.11 -4.17 115.64 120.71 1krx s THR 29 Ca 0.36 -0.98 -0.13 0.00 0.31 0.00 0.00 61.69 61.24 1krx s THR 29 Cb 0.09 -4.12 0.01 0.00 0.01 0.00 0.00 72.50 68.49 1krx s THR 29 CO 0.16 -0.57 0.26 0.00 -0.69 0.00 0.00 174.62 173.77 1krx s THR 31 N 1.67 2.15 0.22 0.00 -1.32 -0.57 -4.61 115.64 113.18 1krx s THR 31 Ca 0.05 -1.82 0.09 0.00 -1.21 0.00 0.00 61.69 58.79 1krx s THR 31 Cb -0.18 -1.95 -0.05 0.00 -1.51 0.00 0.00 72.50 68.81 1krx s THR 31 CO 0.09 -0.04 -0.15 0.42 -2.21 0.00 0.00 174.62 172.73 1krx s THR 32 N -1.36 1.90 0.30 5.08 -4.23 -1.25 0.43 115.64 116.50 1krx s THR 32 Ca 0.15 -2.25 0.03 0.00 -1.18 0.00 0.00 61.69 58.43 1krx s THR 32 Cb -0.09 -2.11 -0.04 0.00 1.34 0.00 0.00 72.50 71.60 1krx s THR 32 CO 0.07 -0.54 0.15 -0.36 -0.54 0.00 0.00 174.62 173.40 1krx s PHE 33 N -2.87 1.57 0.06 3.99 0.40 0.57 -4.93 117.98 116.77 1krx s PHE 33 Ca 0.24 -1.36 -0.36 0.00 -0.60 0.00 0.00 56.93 54.86 1krx s PHE 33 Cb -0.02 -0.84 -0.20 0.00 0.51 0.00 0.00 43.02 42.47 1krx s PHE 33 CO 0.09 -0.52 1.54 1.05 0.70 0.00 0.00 175.22 178.08 1krx h GLU 34 N 2.25 -1.18 0.00 0.44 -0.00 -1.93 -2.77 114.58 111.38 1krx h GLU 34 Ca -0.34 0.08 0.00 0.00 -0.00 0.00 0.00 59.36 59.10 1krx h GLU 34 Cb 1.25 0.27 0.00 0.00 -0.00 0.00 0.00 28.75 30.27 1krx h GLU 34 CO 0.53 -0.79 0.00 -1.71 -0.00 0.00 0.00 179.01 177.04 1krx n ASN 35 N -5.61 0.00 0.00 3.06 5.15 -1.26 -3.12 115.26 113.48 1krx n ASN 35 Ca -0.16 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.82 1krx n ASN 35 Cb 0.49 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.74 1krx n ASN 35 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1krx n GLY 36 N -0.02 -0.26 0.48 8.20 0.00 -1.26 -1.55 105.19 110.78 1krx n GLY 36 Ca 0.00 0.24 0.33 0.00 0.00 0.00 0.00 46.02 46.59 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 0.24 0.66 1.61 -0.26 -1.97 0.92 115.58 116.78 1krx h ASN 37 Ca 0.00 0.07 -0.03 0.00 -0.56 0.00 0.00 56.30 55.78 1krx h ASN 37 Cb 0.00 0.04 0.01 0.00 -1.06 0.00 0.00 38.32 37.31 1krx h ASN 37 CO 0.00 -0.03 -0.32 -0.08 -1.06 0.00 0.00 177.43 175.95 1krx h GLU 38 N 0.17 -0.85 -0.96 0.81 4.57 -1.98 -2.45 114.58 113.89 1krx h GLU 38 Ca 0.69 0.06 0.21 0.00 -1.18 0.00 0.00 59.36 59.14 1krx h GLU 38 Cb 2.21 0.19 -0.12 0.00 -0.16 0.00 0.00 28.75 30.88 1krx h GLU 38 CO -0.24 -0.55 0.53 0.28 -1.18 0.00 0.00 179.01 177.85 1krx h VAL 39 N -0.94 0.59 -0.73 0.32 2.07 -1.23 0.18 116.25 116.51 1krx h VAL 39 Ca -0.09 -0.20 0.08 0.00 0.82 0.00 0.00 66.70 67.31 1krx h VAL 39 Cb 0.70 -0.05 -0.07 0.00 -1.52 0.00 0.00 31.29 30.35 1krx h VAL 39 CO 0.15 0.11 0.40 -0.07 0.02 0.00 0.00 177.57 178.17 1krx h LEU 40 N 0.59 0.56 -0.02 2.57 3.38 -1.12 1.38 115.31 122.65 1krx h LEU 40 Ca 0.59 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.60 1krx h LEU 40 Cb 1.03 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 1krx h LEU 40 CO -0.45 0.34 -0.01 0.00 0.09 0.00 0.00 178.44 178.41 1krx h ALA 41 N 1.41 0.03 0.00 1.53 0.00 -0.25 -2.79 119.26 119.18 1krx h ALA 41 Ca 0.35 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1krx h ALA 41 Cb 0.30 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1krx h ALA 41 CO -0.23 -0.25 -0.23 0.00 0.00 0.00 0.00 179.25 178.54 1krx h ALA 42 N 0.59 1.25 0.00 0.00 0.00 -0.80 -2.44 119.26 117.87 1krx h ALA 42 Ca 0.00 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1krx h ALA 42 Cb 0.44 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1krx h ALA 42 CO 0.00 0.29 -0.26 -0.07 0.00 0.00 0.00 179.25 179.21 1krx h LEU 43 N 0.00 0.00 -1.83 0.00 3.38 0.20 -2.83 115.31 114.22 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 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1krx h LEU 43 CO 0.03 0.26 0.00 0.00 0.09 0.00 0.00 178.44 178.82 1krx h ALA 44 N 1.74 1.00 0.00 1.53 0.00 -1.16 -1.96 119.26 120.41 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 0.76 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1krx h ALA 44 CO 0.03 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.71 1krx n SER 45 N -2.52 0.31 -3.50 0.00 7.64 -1.10 -5.06 113.62 109.40 1krx n SER 45 Ca -0.02 -0.65 -0.14 0.00 1.01 0.00 0.00 58.87 59.07 1krx n SER 45 Cb 0.07 0.67 -0.04 0.00 -1.01 0.00 0.00 64.21 63.90 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 -0.67 1.15 -0.13 1.43 2.20 -0.74 -5.16 119.74 117.82 1krx s LYS 46 Ca 0.00 -0.24 -0.04 0.00 -0.36 0.00 0.00 55.97 55.33 1krx s LYS 46 Cb 0.00 0.53 0.05 0.00 -1.51 0.00 0.00 37.83 36.90 1krx s LYS 46 CO 0.00 -0.45 0.07 0.99 -0.36 0.00 0.00 175.35 175.61 1krx s THR 47 N -2.79 -0.03 0.80 3.43 2.01 -1.26 -3.96 115.64 113.83 1krx s THR 47 Ca -0.03 -0.02 -0.12 0.00 0.31 0.00 0.00 61.69 61.82 1krx s THR 47 Cb -0.01 -0.49 0.07 0.00 0.01 0.00 0.00 72.50 72.08 1krx s THR 47 CO -0.04 -0.13 1.11 -2.16 -0.69 0.00 0.00 174.62 172.70 1krx s PRO 48 N 2.12 2.07 -0.04 4.92 0.04 -1.26 -4.98 135.00 137.87 1krx s PRO 48 Ca 0.03 0.50 -0.08 0.00 0.04 0.00 0.00 61.00 61.48 1krx s PRO 48 Cb -0.15 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 1krx s PRO 48 CO -0.07 -1.60 0.42 -0.44 0.04 0.00 0.00 177.00 175.35 1krx h ASP 49 N -1.07 -0.24 -2.90 6.66 3.32 -0.72 -3.46 116.42 118.01 1krx h ASP 49 Ca -0.47 0.01 -0.51 0.00 0.02 0.00 0.00 57.03 56.08 1krx h ASP 49 Cb 1.28 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.89 1krx h ASP 49 CO 0.61 0.07 -0.25 0.54 -1.72 0.00 0.00 179.24 178.49 1krx s VAL 50 N -2.50 5.13 -0.18 -1.35 0.11 -1.07 -3.76 120.40 116.78 1krx s VAL 50 Ca -0.04 -0.31 -0.12 0.00 -2.93 0.00 0.00 61.98 58.58 1krx s VAL 50 Cb 0.00 -3.77 0.06 0.00 -1.53 0.00 0.00 36.38 31.14 1krx s VAL 50 CO 0.13 -0.32 0.46 -0.22 -3.33 0.00 0.00 175.10 171.81 1krx s LEU 51 N -3.67 -0.08 -0.21 2.54 2.96 -0.19 -2.73 118.68 117.30 1krx s LEU 51 Ca 0.40 0.97 0.02 0.00 -0.22 0.00 0.00 54.13 55.30 1krx s LEU 51 Cb -0.10 1.54 0.03 0.00 0.50 0.00 0.00 46.19 48.16 1krx s LEU 51 CO 0.31 -0.19 -0.16 -0.76 -1.32 0.00 0.00 176.35 174.23 1krx s LEU 52 N 1.04 2.67 0.03 -0.68 1.43 0.88 0.13 118.68 124.19 1krx s LEU 52 Ca -0.06 -0.93 0.02 0.00 -1.03 0.00 0.00 54.13 52.13 1krx s LEU 52 Cb -0.06 -1.52 -0.04 0.00 0.03 0.00 0.00 46.19 44.60 1krx s LEU 52 CO -0.09 -0.08 0.02 -0.55 0.23 0.00 0.00 176.35 175.88 1krx s SER 53 N 1.22 5.18 1.12 2.29 0.15 0.16 0.11 113.70 123.94 1krx s SER 53 Ca -0.00 -0.04 -0.17 0.00 0.70 0.00 0.00 55.95 56.44 1krx s SER 53 Cb -0.16 -1.34 0.24 0.00 -1.71 0.00 0.00 66.02 63.05 1krx s SER 53 CO -0.10 0.24 1.06 -0.67 1.20 0.00 0.00 173.24 174.98 1krx n ASP 54 N 1.05 -1.04 -3.11 5.45 2.03 0.14 -2.84 116.55 118.23 1krx n ASP 54 Ca -0.13 -1.24 -0.05 0.00 0.52 0.00 0.00 54.79 53.89 1krx n ASP 54 Cb 0.52 -0.89 -0.02 0.00 -0.72 0.00 0.00 41.12 40.01 1krx n ASP 54 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1krx s ILE 55 N -3.12 -0.82 0.00 5.18 2.07 -1.26 -4.46 121.20 118.78 1krx s ILE 55 Ca 0.65 -0.60 0.00 0.00 -1.41 0.00 0.00 60.65 59.29 1krx s ILE 55 Cb -0.04 -0.17 0.00 0.00 0.13 0.00 0.00 42.46 42.38 1krx s ILE 55 CO 0.47 -0.16 0.00 0.54 -1.91 0.00 0.00 174.94 173.89 1krx n ARG 56 N 3.86 0.00 0.13 3.50 5.12 0.45 -4.49 116.66 125.23 1krx n ARG 56 Ca 0.14 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.06 1krx n ARG 56 Cb 0.54 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.84 1krx n ARG 56 CO 0.00 0.00 0.00 -0.12 -1.93 0.00 0.00 177.63 175.58 1krx n MET 57 N 0.00 0.00 0.00 5.56 1.56 -0.56 -5.00 117.12 118.68 1krx n MET 57 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 1krx n MET 57 Cb 0.00 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.37 1krx n MET 57 CO 0.00 0.00 0.00 -0.35 -0.73 0.00 0.00 175.97 174.89 1krx n PRO 58 N -3.03 0.71 -0.04 2.12 -0.04 -1.24 -4.79 135.00 128.70 1krx n PRO 58 Ca 0.00 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.53 1krx n PRO 58 Cb 0.00 0.00 0.31 0.00 -0.04 0.00 0.00 33.50 33.77 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 0.00 -0.47 2.66 0.55 0.00 -1.26 -3.74 105.19 102.94 1krx n GLY 59 Ca 0.00 -0.19 -0.08 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.27 1.16 0.00 1.61 0.00 -1.26 -5.00 117.12 113.35 1krx n MET 60 Ca 0.10 -2.40 0.00 0.00 -0.00 0.00 0.00 57.70 55.41 1krx n MET 60 Cb 0.14 -0.60 0.00 0.00 0.00 0.00 0.00 33.22 32.76 1krx n MET 60 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 1krx n ASP 61 N -0.30 0.00 0.00 6.12 5.75 -1.25 -1.60 116.55 125.28 1krx n ASP 61 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.81 1krx n ASP 61 Cb 0.82 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.91 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 0.02 0.29 6.12 0.00 -1.26 0.17 105.19 110.53 1krx n GLY 62 Ca 0.00 -0.01 0.17 0.00 0.00 0.00 0.00 46.02 46.18 1krx n GLY 62 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1krx h LEU 63 N 0.00 0.00 -0.35 0.99 4.07 -1.58 0.17 115.31 118.60 1krx h LEU 63 Ca 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.94 1krx h LEU 63 Cb 0.00 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.72 1krx h LEU 63 CO 0.00 0.00 0.14 0.00 -1.08 0.00 0.00 178.44 177.50 1krx h ALA 64 N 1.68 0.46 -0.60 1.53 0.00 -1.84 -2.27 119.26 118.22 1krx h ALA 64 Ca 0.00 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 54.87 1krx h ALA 64 Cb 0.30 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1krx h ALA 64 CO 0.00 0.06 0.40 -0.07 0.00 0.00 0.00 179.25 179.64 1krx h LEU 65 N 0.42 0.38 -0.61 0.00 3.38 -0.98 0.13 115.31 118.04 1krx h LEU 65 Ca 0.12 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1krx h LEU 65 Cb 0.19 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1krx h LEU 65 CO -0.01 0.23 0.39 -0.07 0.09 0.00 0.00 178.44 179.07 1krx h LEU 66 N 0.42 0.71 -0.92 1.67 -0.00 -1.40 0.19 115.31 116.00 1krx h LEU 66 Ca 0.27 -0.04 0.08 0.00 -0.00 0.00 0.00 57.88 58.20 1krx h LEU 66 Cb 0.52 -0.18 -0.07 0.00 -0.00 0.00 0.00 40.66 40.93 1krx h LEU 66 CO -0.08 0.54 0.57 0.50 -0.00 0.00 0.00 178.44 179.97 1krx h LYS 67 N 0.82 0.97 -0.17 1.13 3.64 -0.81 -0.40 116.57 121.75 1krx h LYS 67 Ca 0.22 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.41 1krx h LYS 67 Cb -0.06 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.53 1krx h LYS 67 CO -0.04 0.64 -0.46 1.96 -2.27 0.00 0.00 179.45 179.27 1krx h GLN 68 N 1.00 0.43 -0.48 1.90 1.08 -0.98 -2.68 115.11 115.37 1krx h GLN 68 Ca 0.42 -0.24 -0.11 0.00 -1.45 0.00 0.00 58.65 57.27 1krx h GLN 68 Cb 0.26 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.69 1krx h GLN 68 CO -0.20 0.81 -0.13 0.82 -0.95 0.00 0.00 178.83 179.18 1krx h ILE 69 N 0.35 1.27 0.00 2.54 2.04 0.43 -2.01 117.51 122.12 1krx h ILE 69 Ca 0.02 -1.25 -0.05 0.00 1.00 0.00 0.00 64.86 64.58 1krx h ILE 69 Cb 0.95 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 1krx h ILE 69 CO 0.08 0.43 -0.26 0.07 0.00 0.00 0.00 178.15 178.47 1krx h LYS 70 N 0.81 0.00 0.09 2.37 5.09 -1.06 0.19 116.57 124.06 1krx h LYS 70 Ca 0.13 0.00 -0.25 0.00 0.09 0.00 0.00 60.65 60.61 1krx h LYS 70 Cb 0.66 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.99 1krx h LYS 70 CO 0.05 0.26 -1.14 1.96 -2.09 0.00 0.00 179.45 178.49 1krx h GLN 71 N 0.00 0.27 0.00 0.07 4.20 -1.15 -3.29 115.11 115.21 1krx h GLN 71 Ca -0.00 -0.41 0.00 0.00 0.06 0.00 0.00 58.65 58.30 1krx h GLN 71 Cb 0.83 0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.75 1krx h GLN 71 CO 0.03 1.16 -0.01 0.54 -0.67 0.00 0.00 178.83 179.89 1krx n ARG 72 N -3.57 0.00 -3.60 1.46 1.74 -0.78 -4.82 116.66 107.08 1krx n ARG 72 Ca -0.07 0.15 -0.29 0.00 -0.77 0.00 0.00 57.85 56.87 1krx n ARG 72 Cb 0.96 -0.66 -0.09 0.00 -1.02 0.00 0.00 32.46 31.66 1krx n ARG 72 CO 0.00 0.00 0.00 -2.39 -1.52 0.00 0.00 177.63 173.72 1krx n HIS 73 N -2.37 3.51 -0.91 -1.55 1.44 0.64 -4.98 115.22 110.99 1krx n HIS 73 Ca -0.00 -4.12 -0.23 0.00 -2.01 0.00 0.00 57.72 51.35 1krx n HIS 73 Cb 0.00 -0.70 -0.05 0.00 0.12 0.00 0.00 29.99 29.36 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 1.46 2.41 0.00 -1.40 -0.04 -0.95 -3.24 135.00 133.23 1krx n PRO 74 Ca 0.25 -1.48 0.00 0.00 -0.04 0.00 0.00 63.50 62.23 1krx n PRO 74 Cb 0.38 -2.39 0.00 0.00 -0.04 0.00 0.00 33.50 31.45 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 3.56 0.00 -1.68 0.54 2.81 -0.46 -4.56 117.12 117.34 1krx n MET 75 Ca 0.51 0.00 -0.44 0.00 -1.81 0.00 0.00 57.70 55.96 1krx n MET 75 Cb 0.32 -0.12 -0.04 0.00 -0.71 0.00 0.00 33.22 32.68 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 -1.66 3.85 -4.65 4.03 0.00 -1.20 -4.61 117.00 112.76 1krx n LEU 76 Ca 0.00 0.96 -0.43 0.00 0.00 0.00 0.00 56.01 56.54 1krx n LEU 76 Cb 0.00 -1.48 -0.03 0.00 0.00 0.00 0.00 43.42 41.91 1krx n LEU 76 CO 0.00 0.09 1.63 -0.81 0.00 0.00 0.00 177.39 178.30 1krx n PRO 77 N 6.43 2.69 -3.88 1.96 -0.04 -1.25 -4.50 135.00 136.42 1krx n PRO 77 Ca 0.20 0.96 -0.32 0.00 -0.04 0.00 0.00 63.50 64.30 1krx n PRO 77 Cb 0.36 -3.01 -0.04 0.00 -0.04 0.00 0.00 33.50 30.76 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 4.98 5.38 -0.12 0.52 1.01 -1.25 -1.02 120.40 129.89 1krx s VAL 78 Ca 0.91 -0.21 -0.04 0.00 0.00 0.00 0.00 61.98 62.64 1krx s VAL 78 Cb -0.45 -3.59 0.05 0.00 0.00 0.00 0.00 36.38 32.39 1krx s VAL 78 CO 0.42 0.22 0.08 -0.63 0.00 0.00 0.00 175.10 175.20 1krx s ILE 79 N -1.44 -0.11 0.17 2.22 1.01 0.34 0.35 121.20 123.75 1krx s ILE 79 Ca 0.32 0.06 -0.08 0.00 0.00 0.00 0.00 60.65 60.95 1krx s ILE 79 Cb -0.13 -0.42 -0.06 0.00 0.01 0.00 0.00 42.46 41.86 1krx s ILE 79 CO 0.23 -0.11 0.45 -0.63 0.00 0.00 0.00 174.94 174.88 1krx s ILE 80 N 2.16 5.06 -0.77 2.92 -1.09 -1.17 0.39 121.20 128.70 1krx s ILE 80 Ca 0.03 0.28 0.25 0.00 -2.23 0.00 0.00 60.65 58.99 1krx s ILE 80 Cb -0.15 -3.63 0.13 0.00 -1.58 0.00 0.00 42.46 37.24 1krx s ILE 80 CO -0.07 0.04 1.53 1.15 -1.23 0.00 0.00 174.94 176.37 1krx n MET 81 N 0.15 0.20 -3.84 2.79 0.00 -1.13 0.73 117.12 116.03 1krx n MET 81 Ca -0.02 0.10 -0.09 0.00 0.00 0.00 0.00 57.70 57.68 1krx n MET 81 Cb 0.52 -1.66 -0.07 0.00 0.00 0.00 0.00 33.22 32.01 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 -3.10 0.13 -0.45 3.17 2.01 -0.59 -1.14 115.64 115.66 1krx s THR 82 Ca 0.09 -1.13 0.07 0.00 0.31 0.00 0.00 61.69 61.03 1krx s THR 82 Cb 0.14 -1.36 0.28 0.00 0.01 0.00 0.00 72.50 71.57 1krx s THR 82 CO 0.66 -0.58 0.90 0.00 -0.69 0.00 0.00 174.62 174.90 1krx n ALA 83 N -0.09 -0.27 -1.00 7.40 0.00 -1.26 -4.76 120.51 120.53 1krx n ALA 83 Ca -0.14 -1.94 0.00 0.00 0.00 0.00 0.00 53.44 51.36 1krx n ALA 83 Cb 0.63 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.92 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 1.03 0.00 -2.93 0.00 1.44 -1.26 -4.93 115.22 108.57 1krx n HIS 84 Ca 0.12 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.69 1krx n HIS 84 Cb 0.64 0.00 0.05 0.00 0.12 0.00 0.00 29.99 30.80 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 0.00 1.34 -0.70 4.39 7.64 -1.26 -4.48 113.62 120.55 1krx n SER 85 Ca 0.00 -2.00 -0.09 0.00 1.01 0.00 0.00 58.87 57.80 1krx n SER 85 Cb 0.00 -0.32 -0.04 0.00 -1.01 0.00 0.00 64.21 62.85 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 -2.62 -5.47 -0.11 6.43 8.00 -1.26 -4.79 116.55 116.73 1krx n ASP 86 Ca 0.11 0.22 0.26 0.00 0.71 0.00 0.00 54.79 56.09 1krx n ASP 86 Cb 0.41 -3.91 0.55 0.00 -0.02 0.00 0.00 41.12 38.15 1krx n ASP 86 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1krx h LEU 87 N 0.00 0.00 -0.90 0.64 7.12 -1.92 -1.01 115.31 119.24 1krx h LEU 87 Ca -0.18 0.00 0.22 0.00 0.13 0.00 0.00 57.88 58.05 1krx h LEU 87 Cb 1.10 0.00 -0.12 0.00 -0.53 0.00 0.00 40.66 41.10 1krx h LEU 87 CO 0.26 0.00 0.40 -0.78 -0.13 0.00 0.00 178.44 178.19 1krx h ASP 88 N 0.00 0.33 0.93 1.25 1.82 -1.97 0.53 116.42 119.32 1krx h ASP 88 Ca 0.39 0.15 -0.01 0.00 -0.39 0.00 0.00 57.03 57.17 1krx h ASP 88 Cb 2.31 0.13 -0.00 0.00 0.68 0.00 0.00 39.33 42.45 1krx h ASP 88 CO -0.00 0.00 -0.07 0.00 -1.61 0.00 0.00 179.24 177.56 1krx h ALA 89 N 1.71 1.02 -0.71 -0.78 0.00 -1.52 -2.93 119.26 116.05 1krx h ALA 89 Ca 0.56 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.38 1krx h ALA 89 Cb 1.06 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 1krx h ALA 89 CO -0.53 0.09 0.33 0.00 0.00 0.00 0.00 179.25 179.14 1krx h ALA 90 N 1.93 0.92 -0.98 0.00 0.00 -0.08 -2.50 119.26 118.55 1krx h ALA 90 Ca -0.00 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.80 1krx h ALA 90 Cb 0.55 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 1krx h ALA 90 CO 0.01 0.49 0.64 0.28 0.00 0.00 0.00 179.25 180.67 1krx h VAL 91 N 1.00 1.15 -0.71 0.00 2.07 -1.45 -1.28 116.25 117.02 1krx h VAL 91 Ca 0.24 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1krx h VAL 91 Cb 0.14 -0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 29.70 1krx h VAL 91 CO -0.03 0.22 0.38 0.77 0.02 0.00 0.00 177.57 178.93 1krx h SER 92 N 1.21 0.88 -0.74 0.57 4.64 -1.55 -2.49 113.55 116.08 1krx h SER 92 Ca 0.40 -0.07 0.09 0.00 -0.47 0.00 0.00 61.79 61.74 1krx h SER 92 Cb 0.05 -0.22 -0.07 0.00 -0.31 0.00 0.00 62.40 61.84 1krx h SER 92 CO -0.13 0.72 0.39 0.00 -0.87 0.00 0.00 176.83 176.93 1krx h ALA 93 N 1.43 1.03 -0.02 5.18 0.00 -0.97 0.21 119.26 126.12 1krx h ALA 93 Ca 0.25 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.21 1krx h ALA 93 Cb 0.04 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1krx h ALA 93 CO -0.04 -0.01 0.05 1.88 0.00 0.00 0.00 179.25 181.13 1krx h TYR 94 N 0.65 0.00 -0.18 0.00 0.05 -1.33 0.94 116.97 117.11 1krx h TYR 94 Ca 0.36 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 59.00 1krx h TYR 94 Cb 0.36 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.11 1krx h TYR 94 CO -0.09 0.00 -0.44 -0.56 -1.05 0.00 0.00 178.16 176.01 1krx h GLN 95 N 0.00 0.61 0.00 4.88 3.07 -0.60 -3.09 115.11 119.98 1krx h GLN 95 Ca 0.01 -0.42 0.00 0.00 0.09 0.00 0.00 58.65 58.33 1krx h GLN 95 Cb 0.10 0.06 0.00 0.00 0.08 0.00 0.00 27.48 27.73 1krx h GLN 95 CO -0.00 1.04 0.00 -0.56 0.09 0.00 0.00 178.83 179.40 1krx h GLN 96 N 0.28 0.00 0.00 0.06 3.07 -1.09 -3.46 115.11 113.96 1krx h GLN 96 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.73 1krx h GLN 96 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.61 1krx h GLN 96 CO 0.10 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.43 1krx n GLY 97 N 0.68 1.69 3.66 0.06 0.00 -0.71 -1.35 105.19 109.21 1krx n GLY 97 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 1krx n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1krx n ALA 98 N 0.00 0.61 -0.06 4.61 0.00 0.21 -3.78 120.51 122.10 1krx n ALA 98 Ca 0.00 0.05 -0.09 0.00 0.00 0.00 0.00 53.44 53.40 1krx n ALA 98 Cb 0.00 -2.19 -0.08 0.00 0.00 0.00 0.00 19.45 17.18 1krx n ALA 98 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1krx h PHE 99 N 0.77 -0.00 0.00 0.00 3.57 -0.37 -3.42 116.94 117.48 1krx h PHE 99 Ca -0.49 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.01 1krx h PHE 99 Cb 1.35 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.09 1krx h PHE 99 CO 0.40 0.60 0.00 -3.47 -2.23 0.00 0.00 178.31 173.61 1krx n ASP 100 N -4.68 0.00 -3.91 0.41 2.03 -1.13 -5.02 116.55 104.24 1krx n ASP 100 Ca -0.06 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.02 1krx n ASP 100 Cb 0.29 0.00 -0.17 0.00 -0.72 0.00 0.00 41.12 40.53 1krx n ASP 100 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1krx s TYR 101 N -3.11 1.10 -0.09 -0.67 1.51 -1.26 -3.07 117.35 111.76 1krx s TYR 101 Ca 0.00 -0.42 -0.04 0.00 -1.01 0.00 0.00 57.07 55.60 1krx s TYR 101 Cb 0.00 -0.93 -0.04 0.00 -0.11 0.00 0.00 41.96 40.88 1krx s TYR 101 CO 0.00 -0.32 0.08 -1.17 -1.11 0.00 0.00 175.55 173.04 1krx s LEU 102 N 1.22 4.04 1.06 -1.29 2.96 0.23 -4.95 118.68 121.94 1krx s LEU 102 Ca -0.05 0.32 -0.14 0.00 -0.22 0.00 0.00 54.13 54.03 1krx s LEU 102 Cb -0.14 -2.01 0.16 0.00 0.50 0.00 0.00 46.19 44.70 1krx s LEU 102 CO -0.02 0.38 0.65 -0.81 -1.32 0.00 0.00 176.35 175.24 1krx n PRO 103 N 1.94 -1.33 -0.32 0.98 -0.04 -1.25 -1.54 135.00 133.44 1krx n PRO 103 Ca -0.19 -0.35 0.18 0.00 -0.04 0.00 0.00 63.50 63.11 1krx n PRO 103 Cb 0.54 -2.03 0.37 0.00 -0.04 0.00 0.00 33.50 32.34 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 -2.11 0.10 -6.43 0.54 3.11 -1.51 -3.39 116.57 106.87 1krx h LYS 104 Ca -0.52 -0.01 -0.51 0.00 -2.81 0.00 0.00 60.65 56.81 1krx h LYS 104 Cb 1.31 -0.02 0.23 0.00 -1.00 0.00 0.00 32.23 32.75 1krx h LYS 104 CO 0.41 0.07 -1.38 -2.30 -2.81 0.00 0.00 179.45 173.44 1krx n PRO 105 N -5.31 -0.48 0.00 1.90 -0.02 -1.26 -4.84 135.00 124.99 1krx n PRO 105 Ca 0.26 -0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 1krx n PRO 105 Cb 0.86 -1.46 0.00 0.00 -0.02 0.00 0.00 33.50 32.88 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 -0.29 6.00 7.35 -1.26 -4.90 117.46 120.87 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 0.60 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 -0.93 -0.09 -2.13 5.75 -1.26 -0.28 116.55 117.61 1krx n ASP 107 Ca 0.00 0.13 -0.12 0.00 -0.01 0.00 0.00 54.79 54.79 1krx n ASP 107 Cb 0.00 -0.69 -0.04 0.00 -1.03 0.00 0.00 41.12 39.36 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 1.29 0.21 2.12 5.03 -1.96 0.21 117.51 124.30 1krx h ILE 108 Ca 0.00 -1.15 0.01 0.00 -0.12 0.00 0.00 64.86 63.61 1krx h ILE 108 Cb 0.11 1.49 -0.04 0.00 -3.03 0.00 0.00 36.82 35.35 1krx h ILE 108 CO 0.00 0.36 -0.40 -0.78 -0.68 0.00 0.00 178.15 176.65 1krx h ASP 109 N 0.27 -1.15 1.07 1.72 3.58 -1.98 0.80 116.42 120.74 1krx h ASP 109 Ca 0.06 0.12 -0.16 0.00 0.42 0.00 0.00 57.03 57.47 1krx h ASP 109 Cb 0.59 0.42 -0.02 0.00 1.72 0.00 0.00 39.33 42.03 1krx h ASP 109 CO 0.03 -0.50 -0.78 -0.33 -2.88 0.00 0.00 179.24 174.78 1krx h GLU 110 N -0.69 0.00 0.00 0.28 4.39 -1.17 -2.79 114.58 114.60 1krx h GLU 110 Ca 0.01 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.65 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 -0.18 0.78 -0.39 0.00 -1.16 0.00 0.00 179.01 178.06 1krx h ALA 111 N 1.22 0.06 -0.43 3.43 0.00 0.26 -3.08 119.26 120.71 1krx h ALA 111 Ca -0.01 -0.55 0.07 0.00 0.00 0.00 0.00 54.91 54.43 1krx h ALA 111 Cb 1.53 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.56 1krx h ALA 111 CO 0.10 0.25 0.29 0.28 0.00 0.00 0.00 179.25 180.18 1krx h VAL 112 N -1.00 0.93 0.16 0.00 2.07 0.51 0.44 116.25 119.37 1krx h VAL 112 Ca -0.08 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 1krx h VAL 112 Cb 0.74 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1krx h VAL 112 CO -0.05 0.05 -0.10 0.00 0.02 0.00 0.00 177.57 177.49 1krx h ALA 113 N 1.77 -0.25 0.00 1.67 0.00 -1.51 -1.22 119.26 119.73 1krx h ALA 113 Ca 0.19 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1krx h ALA 113 Cb 0.40 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1krx h ALA 113 CO -0.04 -0.64 -0.06 1.25 0.00 0.00 0.00 179.25 179.76 1krx h LEU 114 N -0.26 0.00 0.03 0.00 5.85 -1.10 -2.98 115.31 116.85 1krx h LEU 114 Ca -0.01 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 1krx h LEU 114 Cb 0.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1krx h LEU 114 CO 0.01 0.06 -0.19 1.62 -0.34 0.00 0.00 178.44 179.60 1krx h VAL 115 N 0.00 1.70 -0.31 1.05 3.04 0.14 -2.86 116.25 119.01 1krx h VAL 115 Ca -0.00 -2.30 -0.04 0.00 -1.01 0.00 0.00 66.70 63.36 1krx h VAL 115 Cb 0.88 3.24 -0.01 0.00 -2.01 0.00 0.00 31.29 33.39 1krx h VAL 115 CO 0.01 0.61 0.05 -0.33 -1.01 0.00 0.00 177.57 176.90 1krx h GLU 116 N -0.80 0.51 0.00 4.17 5.08 -1.34 -2.00 114.58 120.21 1krx h GLU 116 Ca -0.03 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.17 1krx h GLU 116 Cb 1.11 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.30 1krx h GLU 116 CO 0.04 0.61 -0.07 0.00 -1.00 0.00 0.00 179.01 178.58 1krx h ARG 117 N 0.33 0.00 0.03 2.33 3.08 -1.67 -0.95 114.38 117.53 1krx h ARG 117 Ca 0.09 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 1krx h ARG 117 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1krx h ARG 117 CO 0.01 0.07 -0.01 0.00 -1.07 0.00 0.00 179.97 178.96 1krx h ALA 118 N 1.93 -0.04 -0.08 0.04 0.00 -1.19 -2.08 119.26 117.84 1krx h ALA 118 Ca -0.00 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 1krx h ALA 118 Cb 0.24 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1krx h ALA 118 CO 0.01 -0.15 -0.24 0.82 0.00 0.00 0.00 179.25 179.69 1krx h ILE 119 N -0.79 1.21 -0.20 0.00 2.04 -1.14 0.13 117.51 118.76 1krx h ILE 119 Ca -0.00 -0.98 -0.11 0.00 1.00 0.00 0.00 64.86 64.76 1krx h ILE 119 Cb 0.70 1.42 -0.00 0.00 -0.74 0.00 0.00 36.82 38.19 1krx h ILE 119 CO 0.01 0.29 -0.32 -1.28 0.00 0.00 0.00 178.15 176.85 1krx h SER 120 N 0.13 0.62 1.05 1.72 0.87 -1.24 0.88 113.55 117.58 1krx h SER 120 Ca 0.02 -0.53 -0.13 0.00 -1.23 0.00 0.00 61.79 59.92 1krx h SER 120 Cb 0.50 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.26 1krx h SER 120 CO 0.03 1.03 -0.64 0.45 -0.53 0.00 0.00 176.83 177.18 1krx h HIS 121 N 0.23 0.00 0.01 2.24 3.86 -1.16 -3.34 115.15 117.00 1krx h HIS 121 Ca 0.02 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1krx h HIS 121 Cb 0.91 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.38 1krx h HIS 121 CO 0.09 0.64 -0.01 -0.92 0.86 0.00 0.00 177.93 178.59 1krx h TYR 122 N 0.00 -0.02 -3.25 2.45 3.20 -0.74 -3.50 116.97 115.11 1krx h TYR 122 Ca -0.01 -0.00 0.35 0.00 3.14 0.00 0.00 58.73 62.22 1krx h TYR 122 Cb 1.34 0.01 -0.14 0.00 1.54 0.00 0.00 36.73 39.48 1krx h TYR 122 CO 0.00 0.33 -0.83 0.94 -1.64 0.00 0.00 178.16 176.96 1krx n GLN 123 N -4.74 -2.95 0.00 1.82 7.27 0.30 -5.07 117.38 114.01 1krx n GLN 123 Ca -0.04 2.19 0.00 0.00 0.07 0.00 0.00 57.00 59.22 1krx n GLN 123 Cb 0.17 -3.56 0.00 0.00 2.41 0.00 0.00 30.24 29.26 1krx n GLN 123 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22