#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 0.55 0.00 3.17 7.27 -1.26 -3.73 117.38 123.39 1krx n GLN 2 Ca 0.00 -0.08 0.05 0.00 0.07 0.00 0.00 57.00 57.04 1krx n GLN 2 Cb 0.00 -1.61 0.29 0.00 2.41 0.00 0.00 30.24 31.33 1krx n GLN 2 CO 0.00 0.00 0.00 2.89 0.07 0.00 0.00 177.06 180.02 1krx n ARG 3 N -2.28 0.28 -0.58 3.69 0.00 -1.26 -4.84 116.66 111.67 1krx n ARG 3 Ca -0.02 0.04 0.00 0.00 -0.00 0.00 0.00 57.85 57.87 1krx n ARG 3 Cb 0.53 -1.50 0.00 0.00 -0.00 0.00 0.00 32.46 31.49 1krx n ARG 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1krx n GLY 4 N -0.39 -1.20 2.99 2.89 0.00 -1.26 -4.75 105.19 103.48 1krx n GLY 4 Ca 0.07 -0.55 -0.29 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 -0.01 1.42 -0.13 -0.61 -1.09 -1.26 0.57 121.20 120.09 1krx s ILE 5 Ca 0.00 -0.53 -0.02 0.00 -2.23 0.00 0.00 60.65 57.87 1krx s ILE 5 Cb 0.00 -1.35 -0.02 0.00 -1.58 0.00 0.00 42.46 39.50 1krx s ILE 5 CO 0.00 0.43 -0.07 0.54 -1.23 0.00 0.00 174.94 174.61 1krx s VAL 6 N 1.55 3.62 -0.12 2.92 0.11 0.61 -1.09 120.40 127.99 1krx s VAL 6 Ca 0.05 -0.47 0.03 0.00 -2.93 0.00 0.00 61.98 58.66 1krx s VAL 6 Cb -0.13 -2.54 0.00 0.00 -1.53 0.00 0.00 36.38 32.18 1krx s VAL 6 CO -0.10 0.52 -0.22 0.26 -3.33 0.00 0.00 175.10 172.23 1krx s TRP 7 N 0.10 2.63 -0.14 1.54 0.52 -1.16 -2.48 118.94 119.95 1krx s TRP 7 Ca -0.02 -1.17 0.01 0.00 0.02 0.00 0.00 56.10 54.93 1krx s TRP 7 Cb -0.14 -1.77 0.02 0.00 -1.15 0.00 0.00 33.47 30.43 1krx s TRP 7 CO 0.03 -0.51 -0.15 0.08 0.02 0.00 0.00 176.95 176.42 1krx s VAL 8 N 0.59 1.61 -0.29 4.03 1.01 -0.45 -0.08 120.40 126.81 1krx s VAL 8 Ca -0.12 -0.67 -0.05 0.00 0.00 0.00 0.00 61.98 61.13 1krx s VAL 8 Cb -0.17 -1.48 0.02 0.00 0.00 0.00 0.00 36.38 34.75 1krx s VAL 8 CO 0.03 0.46 0.04 0.68 0.00 0.00 0.00 175.10 176.31 1krx s VAL 9 N 1.27 3.53 -0.32 2.92 -7.23 0.10 -1.90 120.40 118.77 1krx s VAL 9 Ca 0.01 -0.93 -0.01 0.00 -1.81 0.00 0.00 61.98 59.23 1krx s VAL 9 Cb -0.14 -2.87 0.29 0.00 0.56 0.00 0.00 36.38 34.22 1krx s VAL 9 CO -0.07 0.05 1.28 -0.67 -0.31 0.00 0.00 175.10 175.38 1krx n ASP 10 N 4.78 -1.24 0.00 4.85 -0.08 -1.06 0.12 116.55 123.92 1krx n ASP 10 Ca -0.15 -1.75 0.00 0.00 -1.51 0.00 0.00 54.79 51.38 1krx n ASP 10 Cb 0.47 0.77 0.00 0.00 2.34 0.00 0.00 41.12 44.69 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 1.32 0.00 0.00 1.67 2.03 -1.25 -4.42 116.55 115.90 1krx n ASP 11 Ca -0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1krx n ASP 11 Cb 0.72 -1.24 0.00 0.00 -0.72 0.00 0.00 41.12 39.88 1krx n ASP 11 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1krx n ASP 12 N 0.00 0.00 0.00 1.67 5.75 -1.26 -4.46 116.55 118.25 1krx n ASP 12 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1krx n ASP 12 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1krx n ASP 12 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1krx n SER 13 N 2.13 0.00 -0.05 -1.12 2.88 -1.26 0.13 113.62 116.33 1krx n SER 13 Ca 0.00 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.37 1krx n SER 13 Cb 0.00 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.33 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 0.12 0.33 -3.46 0.87 -1.91 -3.14 113.55 106.36 1krx h SER 14 Ca 0.00 -0.89 -0.01 0.00 -1.23 0.00 0.00 61.79 59.67 1krx h SER 14 Cb 0.00 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 61.92 1krx h SER 14 CO 0.00 1.22 -0.04 0.40 -0.53 0.00 0.00 176.83 177.88 1krx h ILE 15 N -0.82 0.27 0.00 2.23 1.08 0.83 -2.99 117.51 118.11 1krx h ILE 15 Ca -0.12 -0.30 -0.02 0.00 -0.39 0.00 0.00 64.86 64.04 1krx h ILE 15 Cb 1.25 1.22 -0.00 0.00 -3.07 0.00 0.00 36.82 36.22 1krx h ILE 15 CO -0.01 0.04 -0.13 0.08 -0.69 0.00 0.00 178.15 177.44 1krx h ARG 16 N 0.00 0.00 -0.93 2.37 0.11 -1.60 -3.18 114.38 111.16 1krx h ARG 16 Ca -0.00 0.00 0.22 0.00 0.10 0.00 0.00 59.98 60.30 1krx h ARG 16 Cb 0.22 0.00 -0.12 0.00 1.11 0.00 0.00 29.97 31.18 1krx h ARG 16 CO 0.01 0.45 0.47 2.35 0.10 0.00 0.00 179.97 183.34 1krx h TRP 17 N -1.00 0.80 0.42 4.08 7.01 -1.50 0.83 115.95 126.59 1krx h TRP 17 Ca -0.02 0.04 -0.02 0.00 2.11 0.00 0.00 58.89 60.99 1krx h TRP 17 Cb 0.51 -0.21 0.00 0.00 -2.10 0.00 0.00 29.16 27.37 1krx h TRP 17 CO 0.09 0.03 -0.20 0.28 -2.79 0.00 0.00 178.44 175.85 1krx h VAL 18 N 0.50 0.00 0.00 2.65 2.07 -1.68 -3.02 116.25 116.77 1krx h VAL 18 Ca 0.58 -0.45 -0.05 0.00 0.82 0.00 0.00 66.70 67.60 1krx h VAL 18 Cb 1.06 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1krx h VAL 18 CO -0.49 0.00 -0.23 0.25 0.02 0.00 0.00 177.57 177.12 1krx h LEU 19 N -1.01 0.00 0.52 2.57 5.85 -1.48 -3.00 115.31 118.77 1krx h LEU 19 Ca -0.06 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 1krx h LEU 19 Cb 0.43 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.47 1krx h LEU 19 CO 0.09 0.23 -0.25 1.05 -0.34 0.00 0.00 178.44 179.22 1krx h GLU 20 N 0.00 -0.68 0.24 1.25 4.11 0.59 -2.38 114.58 117.72 1krx h GLU 20 Ca -0.00 0.05 -0.01 0.00 0.07 0.00 0.00 59.36 59.47 1krx h GLU 20 Cb 0.49 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1krx h GLU 20 CO 0.03 -0.39 -0.28 0.00 0.07 0.00 0.00 179.01 178.45 1krx h ARG 21 N -1.09 -0.51 -0.49 1.06 2.47 -1.55 0.19 114.38 114.47 1krx h ARG 21 Ca -0.07 0.03 0.14 0.00 -1.26 0.00 0.00 59.98 58.83 1krx h ARG 21 Cb 0.60 0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 29.02 1krx h ARG 21 CO 0.12 -0.34 0.44 0.00 0.56 0.00 0.00 179.97 180.75 1krx h ALA 22 N -1.25 2.29 0.00 0.04 0.00 -1.67 0.25 119.26 118.91 1krx h ALA 22 Ca -0.03 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.64 1krx h ALA 22 Cb 0.46 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1krx h ALA 22 CO -0.05 -0.69 -1.13 1.25 0.00 0.00 0.00 179.25 178.62 1krx h LEU 23 N 0.00 0.00 -1.10 0.00 7.12 -0.90 -3.20 115.31 117.23 1krx h LEU 23 Ca 0.23 0.00 -0.09 0.00 0.13 0.00 0.00 57.88 58.16 1krx h LEU 23 Cb 1.11 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.23 1krx h LEU 23 CO -0.00 0.99 -0.30 0.00 -0.13 0.00 0.00 178.44 178.99 1krx h ALA 24 N 1.01 1.25 0.00 1.25 0.00 0.26 -1.55 119.26 121.48 1krx h ALA 24 Ca -0.07 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 1krx h ALA 24 Cb 1.81 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.50 1krx h ALA 24 CO 0.12 0.51 -0.12 0.78 0.00 0.00 0.00 179.25 180.53 1krx h GLY 25 N 1.04 0.00 2.00 0.00 0.00 -1.34 -0.09 103.07 104.68 1krx h GLY 25 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1krx h GLY 25 CO 0.05 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.59 1krx h ALA 26 N 1.88 1.00 0.00 3.60 0.00 -1.34 -3.47 119.26 120.92 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 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1krx h ALA 26 CO 0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.68 1krx n GLY 27 N 1.06 1.34 3.41 0.00 0.00 -0.05 -5.11 105.19 105.84 1krx n GLY 27 Ca 0.05 -0.10 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 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 2.47 -0.02 0.99 1.02 -1.20 -4.78 118.68 117.16 1krx s LEU 28 Ca 0.00 -1.17 -0.30 0.00 0.02 0.00 0.00 54.13 52.68 1krx s LEU 28 Cb 0.00 -0.62 -0.03 0.00 0.02 0.00 0.00 46.19 45.56 1krx s LEU 28 CO 0.00 -0.33 1.00 -0.89 0.02 0.00 0.00 176.35 176.15 1krx s THR 29 N -3.03 4.82 -0.24 5.49 2.01 0.19 -4.19 115.64 120.69 1krx s THR 29 Ca 0.28 2.03 0.02 0.00 0.31 0.00 0.00 61.69 64.34 1krx s THR 29 Cb 0.03 -4.30 0.06 0.00 0.01 0.00 0.00 72.50 68.29 1krx s THR 29 CO 0.11 0.13 -0.10 0.00 -0.69 0.00 0.00 174.62 174.06 1krx s THR 31 N 1.21 0.40 0.19 0.00 -1.32 -1.04 -4.89 115.64 110.19 1krx s THR 31 Ca -0.07 -0.12 0.10 0.00 -1.21 0.00 0.00 61.69 60.40 1krx s THR 31 Cb -0.19 -0.40 -0.04 0.00 -1.51 0.00 0.00 72.50 70.35 1krx s THR 31 CO -0.06 0.16 -0.12 0.42 -2.21 0.00 0.00 174.62 172.81 1krx s THR 32 N 0.50 3.02 0.29 5.08 -4.23 -1.25 -1.34 115.64 117.72 1krx s THR 32 Ca -0.06 -1.78 0.03 0.00 -1.18 0.00 0.00 61.69 58.70 1krx s THR 32 Cb -0.09 -2.50 -0.04 0.00 1.34 0.00 0.00 72.50 71.21 1krx s THR 32 CO -0.00 -0.15 0.16 -0.36 -0.54 0.00 0.00 174.62 173.73 1krx s PHE 33 N -1.79 1.56 0.00 3.99 0.40 -0.80 -4.93 117.98 116.41 1krx s PHE 33 Ca 0.25 -1.39 0.00 0.00 -0.60 0.00 0.00 56.93 55.19 1krx s PHE 33 Cb -0.08 -0.81 0.00 0.00 0.51 0.00 0.00 43.02 42.64 1krx s PHE 33 CO 0.15 -0.56 0.00 -0.85 0.70 0.00 0.00 175.22 174.66 1krx n GLU 34 N -0.54 0.00 -2.25 0.44 0.28 -1.26 -2.55 120.64 114.76 1krx n GLU 34 Ca 0.02 0.00 -0.27 0.00 -0.16 0.00 0.00 57.16 56.75 1krx n GLU 34 Cb 0.65 0.00 0.17 0.00 1.43 0.00 0.00 31.44 33.69 1krx n GLU 34 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1krx n ASN 35 N 0.00 0.70 0.00 -1.84 3.02 -1.26 -2.69 115.26 113.19 1krx n ASN 35 Ca 0.00 -1.81 0.07 0.00 -0.03 0.00 0.00 54.58 52.81 1krx n ASN 35 Cb 0.00 -0.86 0.40 0.00 -0.61 0.00 0.00 39.78 38.72 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 -3.36 -0.44 0.14 7.41 0.00 -1.26 -2.54 105.19 105.14 1krx n GLY 36 Ca 0.17 -0.08 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 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 0.67 -0.08 1.61 -0.00 -1.93 -3.34 115.58 112.51 1krx h ASN 37 Ca 0.00 -0.93 0.04 0.00 -0.00 0.00 0.00 56.30 55.41 1krx h ASN 37 Cb 0.00 -0.22 -0.06 0.00 -0.00 0.00 0.00 38.32 38.04 1krx h ASN 37 CO 0.00 1.62 -0.33 -0.33 -0.00 0.00 0.00 177.43 178.40 1krx h GLU 38 N -0.05 -0.42 -1.29 6.67 4.39 -1.86 -0.39 114.58 121.63 1krx h GLU 38 Ca -0.24 0.03 0.40 0.00 0.34 0.00 0.00 59.36 59.88 1krx h GLU 38 Cb 1.97 0.09 -0.11 0.00 -0.10 0.00 0.00 28.75 30.61 1krx h GLU 38 CO 0.21 -0.28 0.85 0.28 -1.16 0.00 0.00 179.01 178.91 1krx h VAL 39 N -0.43 0.24 0.01 3.13 2.07 -1.71 0.49 116.25 120.05 1krx h VAL 39 Ca 0.08 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 1krx h VAL 39 Cb 0.56 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1krx h VAL 39 CO -0.32 0.03 -0.01 -0.07 0.02 0.00 0.00 177.57 177.22 1krx h LEU 40 N 0.14 -0.01 -0.16 2.57 3.38 -1.19 0.81 115.31 120.85 1krx h LEU 40 Ca 0.75 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.63 1krx h LEU 40 Cb 2.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 43.12 1krx h LEU 40 CO -0.32 0.08 0.10 0.00 0.09 0.00 0.00 178.44 178.39 1krx h ALA 41 N 0.88 0.21 -0.15 1.53 0.00 0.06 -2.03 119.26 119.76 1krx h ALA 41 Ca -0.00 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1krx h ALA 41 Cb 0.10 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1krx h ALA 41 CO 0.00 -0.28 -0.21 0.00 0.00 0.00 0.00 179.25 178.77 1krx h ALA 42 N 1.01 1.37 0.00 0.00 0.00 -1.14 -2.07 119.26 118.43 1krx h ALA 42 Ca 0.06 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1krx h ALA 42 Cb 0.03 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1krx h ALA 42 CO -0.01 0.43 -0.13 -0.07 0.00 0.00 0.00 179.25 179.47 1krx h LEU 43 N 0.24 0.00 -2.28 0.00 3.38 0.12 -2.43 115.31 114.34 1krx h LEU 43 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1krx h LEU 43 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1krx h LEU 43 CO 0.03 0.13 0.00 0.00 0.09 0.00 0.00 178.44 178.70 1krx h ALA 44 N 1.87 1.00 -0.00 1.53 0.00 -0.68 -2.31 119.26 120.67 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 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1krx h ALA 44 CO 0.02 0.00 -0.10 0.45 0.00 0.00 0.00 179.25 179.62 1krx n SER 45 N -2.83 0.33 -3.44 0.00 2.88 -0.94 -5.06 113.62 104.57 1krx n SER 45 Ca -0.02 -0.66 -0.12 0.00 -1.33 0.00 0.00 58.87 56.73 1krx n SER 45 Cb 0.10 0.82 -0.02 0.00 -0.75 0.00 0.00 64.21 64.35 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 -1.06 1.26 -0.13 -1.46 2.20 -0.87 -5.15 119.74 114.52 1krx s LYS 46 Ca 0.01 -0.44 -0.04 0.00 -0.36 0.00 0.00 55.97 55.15 1krx s LYS 46 Cb 0.02 0.58 0.05 0.00 -1.51 0.00 0.00 37.83 36.97 1krx s LYS 46 CO 0.09 -0.54 0.07 0.99 -0.36 0.00 0.00 175.35 175.60 1krx s THR 47 N -3.59 0.04 0.72 3.43 2.01 -1.26 -3.93 115.64 113.05 1krx s THR 47 Ca 0.00 -0.04 -0.12 0.00 0.31 0.00 0.00 61.69 61.85 1krx s THR 47 Cb -0.01 -0.53 0.02 0.00 0.01 0.00 0.00 72.50 72.00 1krx s THR 47 CO -0.12 -0.10 1.11 -2.16 -0.69 0.00 0.00 174.62 172.66 1krx s PRO 48 N 2.09 2.72 -0.06 4.92 0.04 -1.26 -4.33 135.00 139.13 1krx s PRO 48 Ca 0.03 0.41 -0.12 0.00 0.04 0.00 0.00 61.00 61.35 1krx s PRO 48 Cb -0.15 -2.01 -0.08 0.00 0.04 0.00 0.00 34.50 32.31 1krx s PRO 48 CO -0.07 -1.12 0.50 0.38 0.04 0.00 0.00 177.00 176.73 1krx h ASP 49 N -0.72 -0.29 -2.04 6.66 3.04 -1.19 -3.45 116.42 118.43 1krx h ASP 49 Ca -0.45 -0.06 -0.47 0.00 -3.24 0.00 0.00 57.03 52.81 1krx h ASP 49 Cb 1.26 0.08 -0.02 0.00 -1.04 0.00 0.00 39.33 39.62 1krx h ASP 49 CO 0.64 0.18 -0.42 0.54 -2.04 0.00 0.00 179.24 178.14 1krx s VAL 50 N -2.85 4.58 0.01 4.15 0.11 -1.10 -3.50 120.40 121.79 1krx s VAL 50 Ca -0.07 -1.11 -0.19 0.00 -2.93 0.00 0.00 61.98 57.69 1krx s VAL 50 Cb 0.00 -3.57 0.04 0.00 -1.53 0.00 0.00 36.38 31.32 1krx s VAL 50 CO 0.22 -0.27 0.41 -0.22 -3.33 0.00 0.00 175.10 171.92 1krx s LEU 51 N -4.01 0.41 -0.06 2.54 2.96 -0.01 -3.01 118.68 117.50 1krx s LEU 51 Ca 0.38 0.14 -0.01 0.00 -0.22 0.00 0.00 54.13 54.41 1krx s LEU 51 Cb -0.09 1.69 0.03 0.00 0.50 0.00 0.00 46.19 48.32 1krx s LEU 51 CO 0.29 -0.58 0.02 -0.22 -1.32 0.00 0.00 176.35 174.54 1krx s LEU 52 N -1.63 0.48 -0.10 -0.68 0.20 0.88 0.15 118.68 117.99 1krx s LEU 52 Ca -0.09 -0.02 -0.01 0.00 0.69 0.00 0.00 54.13 54.70 1krx s LEU 52 Cb -0.02 -0.31 -0.03 0.00 -0.43 0.00 0.00 46.19 45.39 1krx s LEU 52 CO 0.02 -0.20 -0.04 -0.44 -0.29 0.00 0.00 176.35 175.39 1krx s SER 53 N 1.95 4.85 0.59 3.68 0.01 -0.07 0.01 113.70 124.72 1krx s SER 53 Ca 0.04 -0.01 0.37 0.00 1.31 0.00 0.00 55.95 57.66 1krx s SER 53 Cb -0.12 -1.43 1.77 0.00 0.21 0.00 0.00 66.02 66.45 1krx s SER 53 CO -0.04 0.31 2.14 -0.78 0.41 0.00 0.00 173.24 175.28 1krx h ASP 54 N 5.63 0.00 -6.12 2.44 1.82 0.63 -2.49 116.42 118.33 1krx h ASP 54 Ca -0.44 0.00 -0.26 0.00 -0.39 0.00 0.00 57.03 55.94 1krx h ASP 54 Cb 1.18 0.00 0.01 0.00 0.68 0.00 0.00 39.33 41.21 1krx h ASP 54 CO 0.56 0.02 -0.96 0.00 -1.61 0.00 0.00 179.24 177.25 1krx n ILE 55 N -3.15 -6.45 0.00 2.25 0.00 -1.26 -4.50 119.36 106.25 1krx n ILE 55 Ca -0.01 0.36 0.00 0.00 0.00 0.00 0.00 62.75 63.10 1krx n ILE 55 Cb 0.21 -4.86 0.00 0.00 0.00 0.00 0.00 39.64 34.99 1krx n ILE 55 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 1krx n ARG 56 N -0.28 0.00 0.07 9.51 0.63 -1.17 -4.22 116.66 121.19 1krx n ARG 56 Ca -0.02 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.91 1krx n ARG 56 Cb 0.61 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.52 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 0.00 -0.14 1.56 0.76 -4.89 117.12 114.41 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 -2.67 0.28 0.07 2.12 -0.04 -1.09 -4.90 135.00 128.76 1krx n PRO 58 Ca 0.00 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.34 1krx n PRO 58 Cb 0.00 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.40 1krx n PRO 58 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1krx h GLY 59 N -0.07 -0.11 -3.83 0.55 0.00 -2.00 -2.76 103.07 94.85 1krx h GLY 59 Ca 0.00 0.07 -0.07 0.00 0.00 0.00 0.00 47.33 47.33 1krx h GLY 59 CO 0.00 -0.07 -0.07 -0.13 0.00 0.00 0.00 176.54 176.27 1krx n MET 60 N -5.17 1.10 0.00 4.80 0.00 -1.26 -4.83 117.12 111.76 1krx n MET 60 Ca -0.07 -0.39 0.00 0.00 -0.00 0.00 0.00 57.70 57.25 1krx n MET 60 Cb 0.10 -1.53 0.00 0.00 0.00 0.00 0.00 33.22 31.79 1krx n MET 60 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1krx n ASP 61 N 2.18 0.00 0.00 6.12 8.00 -1.04 -1.57 116.55 130.24 1krx n ASP 61 Ca 0.17 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.67 1krx n ASP 61 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 1krx n ASP 61 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1krx n GLY 62 N 0.00 0.01 0.44 0.44 0.00 -1.26 0.27 105.19 105.09 1krx n GLY 62 Ca 0.00 -0.01 0.25 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.90 0.99 4.07 -1.60 1.10 115.31 117.97 1krx h LEU 63 Ca 0.00 0.00 0.13 0.00 0.08 0.00 0.00 57.88 58.09 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 0.37 0.00 -1.08 0.00 0.00 178.44 177.73 1krx h ALA 64 N 1.34 2.35 0.02 1.53 0.00 -1.84 -0.73 119.26 121.93 1krx h ALA 64 Ca 0.33 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 1krx h ALA 64 Cb 1.64 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1krx h ALA 64 CO -0.00 -0.49 -0.01 -0.07 0.00 0.00 0.00 179.25 178.67 1krx h LEU 65 N 0.10 -0.02 -0.69 0.00 -0.00 0.95 -2.80 115.31 112.84 1krx h LEU 65 Ca 0.25 -0.05 0.15 0.00 -0.00 0.00 0.00 57.88 58.23 1krx h LEU 65 Cb 0.84 0.01 -0.10 0.00 -0.00 0.00 0.00 40.66 41.41 1krx h LEU 65 CO -0.03 0.03 0.13 -0.07 -0.00 0.00 0.00 178.44 178.50 1krx h LEU 66 N -0.07 -0.06 -0.66 1.67 3.38 -1.23 0.47 115.31 118.80 1krx h LEU 66 Ca -0.00 0.14 0.14 0.00 0.09 0.00 0.00 57.88 58.25 1krx h LEU 66 Cb 0.07 0.21 -0.10 0.00 0.09 0.00 0.00 40.66 40.92 1krx h LEU 66 CO 0.00 -0.05 0.13 0.11 0.09 0.00 0.00 178.44 178.72 1krx h LYS 67 N 0.23 0.23 -0.69 1.13 1.57 -1.37 0.20 116.57 117.88 1krx h LYS 67 Ca 0.38 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 59.10 1krx h LYS 67 Cb 0.63 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.85 1krx h LYS 67 CO -0.50 0.15 0.24 1.96 -0.57 0.00 0.00 179.45 180.74 1krx h GLN 68 N 0.24 1.03 -0.85 3.15 1.08 -0.87 -2.35 115.11 116.55 1krx h GLN 68 Ca 0.36 -0.19 -0.01 0.00 -1.45 0.00 0.00 58.65 57.35 1krx h GLN 68 Cb 0.58 -0.16 -0.04 0.00 -0.05 0.00 0.00 27.48 27.80 1krx h GLN 68 CO -0.47 0.87 0.48 0.82 -0.95 0.00 0.00 178.83 179.57 1krx h ILE 69 N 1.00 1.24 0.00 2.54 2.04 0.39 -1.83 117.51 122.90 1krx h ILE 69 Ca 0.23 -0.58 -0.02 0.00 1.00 0.00 0.00 64.86 65.49 1krx h ILE 69 Cb 0.24 0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.41 1krx h ILE 69 CO -0.01 0.27 -0.08 0.07 0.00 0.00 0.00 178.15 178.39 1krx h LYS 70 N 1.17 0.00 -0.02 2.37 2.10 -0.75 1.07 116.57 122.52 1krx h LYS 70 Ca 0.30 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.79 1krx h LYS 70 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 1krx h LYS 70 CO -0.05 0.08 -0.73 0.37 -2.00 0.00 0.00 179.45 177.12 1krx h GLN 71 N 0.00 0.14 0.00 0.07 4.15 -0.81 -3.05 115.11 115.61 1krx h GLN 71 Ca -0.00 -0.12 -0.10 0.00 0.77 0.00 0.00 58.65 59.19 1krx h GLN 71 Cb 0.68 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.37 1krx h GLN 71 CO 0.01 0.81 -1.79 0.54 -1.93 0.00 0.00 178.83 176.46 1krx n ARG 72 N -3.74 0.96 -3.39 1.69 5.12 -1.06 -4.83 116.66 111.41 1krx n ARG 72 Ca -0.02 -0.09 -0.26 0.00 -1.93 0.00 0.00 57.85 55.56 1krx n ARG 72 Cb 0.71 -1.36 -0.10 0.00 -1.16 0.00 0.00 32.46 30.55 1krx n ARG 72 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 1krx s HIS 73 N -2.76 0.60 -1.44 -1.55 3.76 0.37 -4.98 115.29 109.28 1krx s HIS 73 Ca -0.06 -1.71 0.00 0.00 -0.15 0.00 0.00 55.06 53.14 1krx s HIS 73 Cb 0.07 -0.78 0.00 0.00 1.11 0.00 0.00 32.58 32.98 1krx s HIS 73 CO 0.60 -0.87 0.53 -0.35 -0.85 0.00 0.00 174.74 173.81 1krx n PRO 74 N 3.61 0.74 0.00 8.40 -0.04 -1.15 -2.78 135.00 143.77 1krx n PRO 74 Ca 0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 1krx n PRO 74 Cb 0.43 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 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 -0.15 0.00 -2.41 0.54 2.81 -0.68 -4.35 117.12 112.88 1krx n MET 75 Ca 0.00 -0.18 -0.42 0.00 -1.81 0.00 0.00 57.70 55.29 1krx n MET 75 Cb 0.10 -0.37 -0.02 0.00 -0.71 0.00 0.00 33.22 32.22 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 0.00 3.49 0.03 4.03 2.96 -1.12 -4.79 118.68 123.29 1krx s LEU 76 Ca 0.00 0.49 -0.31 0.00 -0.22 0.00 0.00 54.13 54.09 1krx s LEU 76 Cb 0.00 -3.29 -0.10 0.00 0.50 0.00 0.00 46.19 43.30 1krx s LEU 76 CO 0.00 -1.55 1.93 -2.65 -1.32 0.00 0.00 176.35 172.76 1krx n PRO 77 N 8.36 2.73 -4.38 0.98 -0.02 -1.23 -4.32 135.00 137.12 1krx n PRO 77 Ca 0.14 1.00 -0.28 0.00 -2.02 0.00 0.00 63.50 62.34 1krx n PRO 77 Cb 0.49 -2.93 -0.13 0.00 -0.02 0.00 0.00 33.50 30.91 1krx n PRO 77 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1krx s VAL 78 N 4.03 2.20 -0.14 -1.45 1.01 -1.26 -0.83 120.40 123.97 1krx s VAL 78 Ca 0.88 -1.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.08 1krx s VAL 78 Cb -0.49 -1.96 0.04 0.00 0.00 0.00 0.00 36.38 33.97 1krx s VAL 78 CO 0.43 0.05 -0.03 -0.63 0.00 0.00 0.00 175.10 174.92 1krx s ILE 79 N -1.15 0.80 -0.03 2.22 1.01 0.40 0.23 121.20 124.68 1krx s ILE 79 Ca 0.14 -0.37 -0.15 0.00 0.00 0.00 0.00 60.65 60.27 1krx s ILE 79 Cb -0.10 -1.01 -0.05 0.00 0.01 0.00 0.00 42.46 41.31 1krx s ILE 79 CO 0.06 0.14 0.40 -0.63 0.00 0.00 0.00 174.94 174.92 1krx s ILE 80 N 1.77 5.08 -0.65 2.92 -1.09 -1.15 -0.89 121.20 127.19 1krx s ILE 80 Ca 0.02 0.82 0.25 0.00 -2.23 0.00 0.00 60.65 59.51 1krx s ILE 80 Cb -0.14 -3.71 0.14 0.00 -1.58 0.00 0.00 42.46 37.16 1krx s ILE 80 CO -0.07 0.53 1.47 0.00 -1.23 0.00 0.00 174.94 175.64 1krx h MET 81 N 5.12 0.00 -3.87 2.79 -0.00 -1.56 0.25 114.93 117.66 1krx h MET 81 Ca -0.49 0.00 -0.10 0.00 -0.00 0.00 0.00 59.70 59.11 1krx h MET 81 Cb 1.21 0.00 -0.13 0.00 -0.00 0.00 0.00 31.60 32.68 1krx h MET 81 CO 0.64 0.00 -0.34 0.99 -0.00 0.00 0.00 176.91 178.20 1krx s THR 82 N -3.15 0.09 -0.12 -0.10 2.01 -0.99 -1.60 115.64 111.77 1krx s THR 82 Ca 0.07 -1.33 -0.05 0.00 0.31 0.00 0.00 61.69 60.70 1krx s THR 82 Cb 0.13 -1.69 -0.06 0.00 0.01 0.00 0.00 72.50 70.88 1krx s THR 82 CO 0.68 -0.40 -0.15 0.00 -0.69 0.00 0.00 174.62 174.06 1krx n ALA 83 N -0.17 2.09 -3.92 7.40 0.00 -1.26 -4.82 120.51 119.83 1krx n ALA 83 Ca -0.10 -0.50 -0.40 0.00 0.00 0.00 0.00 53.44 52.45 1krx n ALA 83 Cb 0.63 0.31 0.03 0.00 0.00 0.00 0.00 19.45 20.42 1krx n ALA 83 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1krx n HIS 84 N -3.39 -1.60 -2.98 0.00 8.25 -1.26 -4.64 115.22 109.60 1krx n HIS 84 Ca -0.24 0.26 0.01 0.00 -0.26 0.00 0.00 57.72 57.49 1krx n HIS 84 Cb 0.68 -3.08 -0.00 0.00 1.12 0.00 0.00 29.99 28.71 1krx n HIS 84 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1krx n SER 85 N -2.41 -3.79 -2.63 0.41 7.64 -1.26 -4.84 113.62 106.74 1krx n SER 85 Ca -0.11 0.05 -0.22 0.00 1.01 0.00 0.00 58.87 59.60 1krx n SER 85 Cb 0.58 -0.15 0.01 0.00 -1.01 0.00 0.00 64.21 63.64 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 -3.43 -6.03 0.02 6.43 8.00 -1.26 -4.82 116.55 115.46 1krx n ASP 86 Ca 0.00 -0.12 0.21 0.00 0.71 0.00 0.00 54.79 55.59 1krx n ASP 86 Cb 0.02 -4.96 0.56 0.00 -0.02 0.00 0.00 41.12 36.71 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 -0.51 0.00 -0.78 0.64 7.12 -1.88 -1.68 115.31 118.21 1krx h LEU 87 Ca -0.51 0.00 0.18 0.00 0.13 0.00 0.00 57.88 57.68 1krx h LEU 87 Cb 1.37 0.00 -0.12 0.00 -0.53 0.00 0.00 40.66 41.38 1krx h LEU 87 CO 0.58 0.00 0.18 0.44 -0.13 0.00 0.00 178.44 179.51 1krx h ASP 88 N 0.00 -0.03 0.91 1.25 3.32 -1.99 0.36 116.42 120.25 1krx h ASP 88 Ca 0.27 0.17 -0.03 0.00 0.02 0.00 0.00 57.03 57.46 1krx h ASP 88 Cb 1.87 0.23 -0.00 0.00 0.22 0.00 0.00 39.33 41.65 1krx h ASP 88 CO -0.00 -0.09 -0.17 0.00 -1.72 0.00 0.00 179.24 177.27 1krx h ALA 89 N 1.67 1.03 -0.21 3.45 0.00 -1.66 -3.08 119.26 120.47 1krx h ALA 89 Ca 0.46 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 1krx h ALA 89 Cb 0.83 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1krx h ALA 89 CO -0.57 0.21 -0.02 0.00 0.00 0.00 0.00 179.25 178.86 1krx h ALA 90 N 1.83 0.28 -0.64 0.00 0.00 -0.43 -2.78 119.26 117.53 1krx h ALA 90 Ca -0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1krx h ALA 90 Cb 0.67 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1krx h ALA 90 CO 0.02 0.03 0.34 0.28 0.00 0.00 0.00 179.25 179.93 1krx h VAL 91 N 0.13 1.19 -0.83 0.00 2.07 -1.37 -2.15 116.25 115.29 1krx h VAL 91 Ca 0.06 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 1krx h VAL 91 Cb 0.45 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 1krx h VAL 91 CO 0.02 0.22 0.50 0.28 0.02 0.00 0.00 177.57 178.60 1krx h SER 92 N 0.88 1.00 -0.33 0.57 0.02 -1.49 -2.71 113.55 111.49 1krx h SER 92 Ca 0.23 -0.07 0.06 0.00 -0.84 0.00 0.00 61.79 61.17 1krx h SER 92 Cb 0.03 -0.25 -0.05 0.00 0.14 0.00 0.00 62.40 62.26 1krx h SER 92 CO -0.04 0.78 0.00 0.00 -1.14 0.00 0.00 176.83 176.43 1krx h ALA 93 N 1.27 0.30 -0.67 3.77 0.00 -1.11 0.62 119.26 123.44 1krx h ALA 93 Ca 0.30 0.09 0.19 0.00 0.00 0.00 0.00 54.91 55.50 1krx h ALA 93 Cb -0.04 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1krx h ALA 93 CO -0.06 -0.40 0.58 1.88 0.00 0.00 0.00 179.25 181.25 1krx h TYR 94 N 0.10 0.00 -0.34 0.00 0.05 -1.35 0.44 116.97 115.86 1krx h TYR 94 Ca 0.16 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.77 1krx h TYR 94 Cb 0.22 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.95 1krx h TYR 94 CO -0.24 0.00 -0.45 -0.56 -1.05 0.00 0.00 178.16 175.86 1krx h GLN 95 N 0.00 0.90 0.00 4.88 3.07 -0.83 -2.95 115.11 120.18 1krx h GLN 95 Ca 0.32 -0.51 0.00 0.00 0.09 0.00 0.00 58.65 58.54 1krx h GLN 95 Cb 1.47 0.04 0.00 0.00 0.08 0.00 0.00 27.48 29.07 1krx h GLN 95 CO -0.00 1.16 0.00 -0.56 0.09 0.00 0.00 178.83 179.52 1krx h GLN 96 N 0.72 0.00 0.00 0.06 3.07 -0.04 -3.47 115.11 115.46 1krx h GLN 96 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.78 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 0.11 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.44 1krx n GLY 97 N 0.94 0.35 3.65 0.06 0.00 -0.32 -1.69 105.19 108.18 1krx n GLY 97 Ca 0.04 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.59 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 0.62 0.16 4.61 0.00 -0.26 -4.00 120.51 121.63 1krx n ALA 98 Ca 0.00 0.44 -0.14 0.00 0.00 0.00 0.00 53.44 53.74 1krx n ALA 98 Cb 0.00 -2.23 -0.08 0.00 0.00 0.00 0.00 19.45 17.14 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 4.62 -0.35 0.00 0.00 3.57 -0.52 -3.39 116.94 120.87 1krx h PHE 99 Ca -0.45 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.04 1krx h PHE 99 Cb 1.29 0.11 0.00 0.00 2.79 0.00 0.00 35.95 40.14 1krx h PHE 99 CO 0.58 -0.08 0.00 -3.47 -2.23 0.00 0.00 178.31 173.11 1krx n ASP 100 N -5.16 0.00 -3.99 0.41 2.03 -1.17 -5.04 116.55 103.62 1krx n ASP 100 Ca -0.10 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.01 1krx n ASP 100 Cb 0.23 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.47 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 -3.00 0.91 -0.03 -0.67 1.51 -1.26 -2.92 117.35 111.88 1krx s TYR 101 Ca 0.00 -0.22 0.04 0.00 -1.01 0.00 0.00 57.07 55.88 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 -0.10 -0.17 -0.48 -1.11 0.00 0.00 175.55 173.70 1krx s LEU 102 N 0.20 1.94 1.11 -1.29 0.05 0.89 -4.95 118.68 116.62 1krx s LEU 102 Ca -0.03 -0.33 -0.18 0.00 0.05 0.00 0.00 54.13 53.63 1krx s LEU 102 Cb -0.08 -0.92 0.13 0.00 -2.05 0.00 0.00 46.19 43.26 1krx s LEU 102 CO 0.00 0.16 0.06 -2.65 -0.55 0.00 0.00 176.35 173.38 1krx n PRO 103 N 3.03 -1.87 -0.32 1.48 -0.02 -1.26 -2.36 135.00 133.68 1krx n PRO 103 Ca -0.17 -0.54 0.05 0.00 -2.02 0.00 0.00 63.50 60.82 1krx n PRO 103 Cb 0.53 -1.64 0.13 0.00 -0.02 0.00 0.00 33.50 32.50 1krx n PRO 103 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1krx h LYS 104 N -2.25 0.00 -6.47 -0.52 1.63 -1.69 -3.40 116.57 103.87 1krx h LYS 104 Ca -0.47 -0.00 -0.51 0.00 -0.85 0.00 0.00 60.65 58.82 1krx h LYS 104 Cb 1.24 -0.00 0.23 0.00 -0.60 0.00 0.00 32.23 33.10 1krx h LYS 104 CO 0.33 0.00 -1.32 -0.35 -3.45 0.00 0.00 179.45 174.66 1krx n PRO 105 N -5.57 -0.58 0.00 1.90 -0.04 -1.26 -4.85 135.00 124.60 1krx n PRO 105 Ca 0.14 -0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1krx n PRO 105 Cb 0.47 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 1krx n PRO 105 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1krx n PHE 106 N -3.61 0.00 -1.03 0.54 1.16 -1.26 -4.91 117.46 108.35 1krx n PHE 106 Ca 0.02 0.00 0.10 0.00 -1.87 0.00 0.00 57.45 55.70 1krx n PHE 106 Cb 0.60 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.45 1krx n PHE 106 CO 0.00 0.00 0.00 -0.40 -1.87 0.00 0.00 176.76 174.49 1krx n ASP 107 N 0.00 -4.62 -0.09 5.98 5.68 -1.26 0.34 116.55 122.59 1krx n ASP 107 Ca 0.00 0.77 -0.06 0.00 -0.50 0.00 0.00 54.79 54.99 1krx n ASP 107 Cb 0.00 -2.36 0.00 0.00 -1.14 0.00 0.00 41.12 37.62 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 -0.66 0.73 0.13 2.12 5.03 -1.95 1.64 117.51 124.56 1krx h ILE 108 Ca 0.01 -0.02 0.02 0.00 -0.12 0.00 0.00 64.86 64.75 1krx h ILE 108 Cb 0.65 0.68 -0.05 0.00 -3.03 0.00 0.00 36.82 35.07 1krx h ILE 108 CO 0.00 0.01 -0.48 -0.78 -0.68 0.00 0.00 178.15 176.23 1krx h ASP 109 N 0.05 -1.42 1.07 1.72 3.58 -1.98 0.79 116.42 120.23 1krx h ASP 109 Ca 0.15 0.15 -0.18 0.00 0.42 0.00 0.00 57.03 57.58 1krx h ASP 109 Cb 0.22 0.53 -0.03 0.00 1.72 0.00 0.00 39.33 41.77 1krx h ASP 109 CO -0.28 -0.53 -0.97 -0.33 -2.88 0.00 0.00 179.24 174.25 1krx h GLU 110 N -0.72 0.00 0.06 0.28 4.39 0.06 -2.87 114.58 115.78 1krx h GLU 110 Ca 0.01 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.54 1krx h GLU 110 Cb 0.73 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.37 1krx h GLU 110 CO -0.27 0.69 -0.84 0.00 -1.16 0.00 0.00 179.01 177.43 1krx h ALA 111 N 1.22 0.10 -0.17 3.43 0.00 0.31 -2.96 119.26 121.18 1krx h ALA 111 Ca -0.06 -0.87 -0.03 0.00 0.00 0.00 0.00 54.91 53.95 1krx h ALA 111 Cb 1.65 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 19.76 1krx h ALA 111 CO 0.09 0.47 -0.03 0.28 0.00 0.00 0.00 179.25 180.06 1krx h VAL 112 N -0.69 1.13 -0.01 0.00 2.07 0.57 0.21 116.25 119.53 1krx h VAL 112 Ca -0.19 -0.53 -0.00 0.00 0.82 0.00 0.00 66.70 66.79 1krx h VAL 112 Cb 1.40 1.04 -0.00 0.00 -1.52 0.00 0.00 31.29 32.21 1krx h VAL 112 CO -0.01 0.17 0.01 0.00 0.02 0.00 0.00 177.57 177.76 1krx h ALA 113 N 1.73 0.01 0.00 1.67 0.00 -1.50 -1.69 119.26 119.48 1krx h ALA 113 Ca 0.06 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1krx h ALA 113 Cb 0.23 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1krx h ALA 113 CO 0.01 -0.45 -0.07 1.25 0.00 0.00 0.00 179.25 179.98 1krx h LEU 114 N -0.05 0.00 0.01 0.00 5.85 -1.23 -2.94 115.31 116.95 1krx h LEU 114 Ca 0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1krx h LEU 114 Cb 0.07 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.10 1krx h LEU 114 CO -0.00 0.07 -0.08 1.62 -0.34 0.00 0.00 178.44 179.71 1krx h VAL 115 N 0.00 1.74 -0.39 1.05 3.04 -0.32 -2.90 116.25 118.48 1krx h VAL 115 Ca -0.00 -2.28 -0.05 0.00 -1.01 0.00 0.00 66.70 63.36 1krx h VAL 115 Cb 0.84 3.29 -0.01 0.00 -2.01 0.00 0.00 31.29 33.39 1krx h VAL 115 CO 0.01 0.60 0.05 -0.33 -1.01 0.00 0.00 177.57 176.89 1krx h GLU 116 N -0.89 0.65 0.00 4.17 5.08 -1.42 -2.10 114.58 120.07 1krx h GLU 116 Ca -0.01 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 1krx h GLU 116 Cb 1.03 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.21 1krx h GLU 116 CO 0.02 0.71 -0.06 0.00 -1.00 0.00 0.00 179.01 178.68 1krx h ARG 117 N 0.49 0.00 -0.01 2.33 2.47 -1.66 -1.09 114.38 116.90 1krx h ARG 117 Ca 0.12 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.82 1krx h ARG 117 Cb 0.38 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.70 1krx h ARG 117 CO 0.01 0.06 -0.04 0.00 0.56 0.00 0.00 179.97 180.56 1krx h ALA 118 N 1.94 0.02 -0.06 0.04 0.00 -1.18 -2.60 119.26 117.42 1krx h ALA 118 Ca -0.00 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 1krx h ALA 118 Cb 0.20 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1krx h ALA 118 CO 0.01 -0.12 -0.32 0.82 0.00 0.00 0.00 179.25 179.63 1krx h ILE 119 N -0.59 1.25 -0.40 0.00 2.04 -1.06 -2.51 117.51 116.24 1krx h ILE 119 Ca -0.00 -1.21 -0.07 0.00 1.00 0.00 0.00 64.86 64.57 1krx h ILE 119 Cb 0.70 1.57 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 1krx h ILE 119 CO 0.01 0.36 -0.04 -1.28 0.00 0.00 0.00 178.15 177.19 1krx h SER 120 N 0.10 0.73 0.55 1.72 0.87 -1.24 -2.68 113.55 113.60 1krx h SER 120 Ca 0.01 -0.33 -0.06 0.00 -1.23 0.00 0.00 61.79 60.18 1krx h SER 120 Cb 0.63 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 1krx h SER 120 CO 0.05 0.89 -0.29 0.45 -0.53 0.00 0.00 176.83 177.39 1krx h HIS 121 N 0.56 0.00 0.22 2.24 3.86 -1.24 -3.13 115.15 117.65 1krx h HIS 121 Ca 0.11 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.31 1krx h HIS 121 Cb 0.54 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.01 1krx h HIS 121 CO 0.04 0.29 -0.10 -0.92 0.86 0.00 0.00 177.93 178.10 1krx h TYR 122 N 0.00 -0.27 -2.98 2.45 3.20 -1.18 -3.45 116.97 114.75 1krx h TYR 122 Ca -0.00 -0.01 -0.27 0.00 3.14 0.00 0.00 58.73 61.59 1krx h TYR 122 Cb 0.65 0.09 0.12 0.00 1.54 0.00 0.00 36.73 39.13 1krx h TYR 122 CO 0.00 0.06 0.18 0.94 -1.64 0.00 0.00 178.16 177.70 1krx n GLN 123 N -5.07 -1.56 -0.58 1.82 7.27 -1.04 -5.12 117.38 113.11 1krx n GLN 123 Ca -0.09 -1.25 0.00 0.00 0.07 0.00 0.00 57.00 55.73 1krx n GLN 123 Cb 0.24 -0.97 0.00 0.00 2.41 0.00 0.00 30.24 31.92 1krx n GLN 123 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52