#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n9l h LEU 18 N 0.00 -0.73 -9.54 0.99 5.85 -2.02 -3.41 115.31 106.45 1n9l h LEU 18 Ca 0.00 0.05 -0.52 0.00 0.84 0.00 0.00 57.88 58.24 1n9l h LEU 18 Cb 0.00 0.22 0.04 0.00 0.37 0.00 0.00 40.66 41.29 1n9l h LEU 18 CO 0.00 -0.41 1.10 -0.13 -0.34 0.00 0.00 178.44 178.66 1n9l s ARG 19 N -4.63 4.13 0.19 1.25 1.81 -1.26 -4.96 118.95 115.49 1n9l s ARG 19 Ca -0.10 2.61 -0.23 0.00 -1.72 0.00 0.00 55.73 56.28 1n9l s ARG 19 Cb 0.02 -3.50 0.05 0.00 -0.45 0.00 0.00 34.95 31.07 1n9l s ARG 19 CO 0.34 -0.83 0.83 -3.38 -0.68 0.00 0.00 175.30 171.58 1n9l s HIS 20 N 2.46 -0.20 0.29 -0.53 -3.43 -1.26 -4.63 115.29 107.98 1n9l s HIS 20 Ca 0.80 -0.15 0.09 0.00 -0.80 0.00 0.00 55.06 55.00 1n9l s HIS 20 Cb -0.47 0.66 -0.06 0.00 -1.43 0.00 0.00 32.58 31.28 1n9l s HIS 20 CO 0.36 -0.98 -0.10 0.95 -2.00 0.00 0.00 174.74 172.97 1n9l s THR 21 N -3.57 1.98 -0.01 -5.38 -4.23 0.34 -4.85 115.64 99.93 1n9l s THR 21 Ca 0.10 -2.21 -0.02 0.00 -1.18 0.00 0.00 61.69 58.39 1n9l s THR 21 Cb -0.03 -2.45 -0.00 0.00 1.34 0.00 0.00 72.50 71.36 1n9l s THR 21 CO 0.02 -0.32 0.04 0.12 -0.54 0.00 0.00 174.62 173.95 1n9l s PHE 22 N -2.80 0.02 0.06 3.99 5.36 -1.26 -1.17 117.98 122.18 1n9l s PHE 22 Ca 0.30 -0.02 -0.06 0.00 -0.96 0.00 0.00 56.93 56.18 1n9l s PHE 22 Cb 0.01 -0.03 -0.01 0.00 -0.34 0.00 0.00 43.02 42.65 1n9l s PHE 22 CO 0.13 -0.08 0.11 0.14 -1.46 0.00 0.00 175.22 174.07 1n9l s VAL 23 N -0.38 0.15 -0.07 3.12 -7.23 -0.31 -0.10 120.40 115.58 1n9l s VAL 23 Ca -0.04 -1.26 0.03 0.00 -1.81 0.00 0.00 61.98 58.90 1n9l s VAL 23 Cb -0.03 -1.18 0.01 0.00 0.56 0.00 0.00 36.38 35.74 1n9l s VAL 23 CO -0.00 -0.69 -0.15 -0.69 -0.31 0.00 0.00 175.10 173.25 1n9l s VAL 24 N -3.32 1.37 -0.01 1.32 1.01 0.87 -0.87 120.40 120.76 1n9l s VAL 24 Ca 0.01 -0.63 0.05 0.00 0.00 0.00 0.00 61.98 61.41 1n9l s VAL 24 Cb 0.03 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 1n9l s VAL 24 CO -0.08 0.40 -0.14 0.00 0.00 0.00 0.00 175.10 175.29 1n9l s ALA 25 N 0.48 2.73 -0.56 5.51 0.00 0.63 -0.58 121.76 129.96 1n9l s ALA 25 Ca -0.13 -1.05 -0.22 0.00 0.00 0.00 0.00 51.96 50.56 1n9l s ALA 25 Cb -0.15 -0.94 0.06 0.00 0.00 0.00 0.00 23.12 22.09 1n9l s ALA 25 CO 0.04 0.57 0.81 0.34 0.00 0.00 0.00 175.76 177.53 1n9l s ASP 26 N -1.11 6.25 0.00 0.00 2.15 -0.20 -0.82 116.67 122.93 1n9l s ASP 26 Ca 0.14 -0.80 0.23 0.00 0.43 0.00 0.00 52.55 52.55 1n9l s ASP 26 Cb -0.11 -2.37 1.30 0.00 -0.30 0.00 0.00 42.92 41.44 1n9l s ASP 26 CO 0.04 -1.15 1.76 0.00 -0.17 0.00 0.00 175.17 175.65 1n9l n ALA 27 N 6.96 2.29 1.31 3.66 0.00 -0.60 -2.34 120.51 131.79 1n9l n ALA 27 Ca -0.04 -0.13 0.14 0.00 0.00 0.00 0.00 53.44 53.42 1n9l n ALA 27 Cb 0.46 -1.38 0.61 0.00 0.00 0.00 0.00 19.45 19.13 1n9l n ALA 27 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1n9l n THR 28 N -1.13 0.00 -4.20 0.00 -2.24 -1.21 -4.75 114.28 100.76 1n9l n THR 28 Ca 0.15 -0.03 -0.32 0.00 -2.27 0.00 0.00 64.05 61.58 1n9l n THR 28 Cb 0.13 -0.20 -0.08 0.00 -2.10 0.00 0.00 70.33 68.08 1n9l n THR 28 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1n9l s LEU 29 N -2.62 3.55 0.24 3.22 1.43 -0.99 -5.04 118.68 118.47 1n9l s LEU 29 Ca 0.25 -0.06 -0.05 0.00 -1.03 0.00 0.00 54.13 53.25 1n9l s LEU 29 Cb 0.20 -2.15 0.44 0.00 0.03 0.00 0.00 46.19 44.72 1n9l s LEU 29 CO 0.50 0.23 1.73 1.55 0.23 0.00 0.00 176.35 180.59 1n9l h PRO 30 N 3.90 0.42 -0.70 1.29 0.13 -1.86 -2.95 132.00 132.23 1n9l h PRO 30 Ca -0.48 -0.03 -0.14 0.00 -0.87 0.00 0.00 66.00 64.48 1n9l h PRO 30 Cb 1.17 -0.09 -0.08 0.00 0.13 0.00 0.00 31.00 32.12 1n9l h PRO 30 CO 0.59 0.28 0.18 -3.47 -0.23 0.00 0.00 178.00 175.35 1n9l n ASP 31 N -5.01 5.21 -4.00 1.44 2.03 -1.26 -4.97 116.55 109.98 1n9l n ASP 31 Ca 0.14 -3.12 -0.41 0.00 0.52 0.00 0.00 54.79 51.92 1n9l n ASP 31 Cb 0.41 -0.73 0.01 0.00 -0.72 0.00 0.00 41.12 40.09 1n9l n ASP 31 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1n9l s PRO 33 N -7.06 3.13 0.21 0.00 0.04 -1.26 -4.49 135.00 125.57 1n9l s PRO 33 Ca 0.43 1.38 -0.30 0.00 0.04 0.00 0.00 61.00 62.56 1n9l s PRO 33 Cb -0.22 -1.99 -0.09 0.00 0.04 0.00 0.00 34.50 32.24 1n9l s PRO 33 CO 0.95 -0.99 1.28 -0.51 0.04 0.00 0.00 177.00 177.77 1n9l s LEU 34 N -4.44 4.43 -0.01 -3.56 1.43 -0.21 -1.03 118.68 115.28 1n9l s LEU 34 Ca 0.67 2.38 0.05 0.00 -1.03 0.00 0.00 54.13 56.20 1n9l s LEU 34 Cb -0.20 -3.61 -0.07 0.00 0.03 0.00 0.00 46.19 42.34 1n9l s LEU 34 CO 0.36 -0.48 0.12 1.33 0.23 0.00 0.00 176.35 177.90 1n9l n VAL 35 N 2.43 0.00 -3.64 -1.59 0.24 0.25 -0.77 118.33 115.25 1n9l n VAL 35 Ca 0.05 -0.14 -0.14 0.00 -2.04 0.00 0.00 64.34 62.06 1n9l n VAL 35 Cb 0.43 0.45 -0.08 0.00 -1.47 0.00 0.00 33.84 33.17 1n9l n VAL 35 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1n9l s TYR 36 N -2.26 -0.66 -0.03 6.34 5.04 -1.16 -4.98 117.35 119.63 1n9l s TYR 36 Ca -0.01 1.53 -0.03 0.00 -2.44 0.00 0.00 57.07 56.11 1n9l s TYR 36 Cb 0.03 0.26 0.01 0.00 0.35 0.00 0.00 41.96 42.61 1n9l s TYR 36 CO 0.21 -0.38 0.09 0.00 -1.34 0.00 0.00 175.55 174.13 1n9l s ALA 37 N 0.01 -0.23 0.85 3.97 0.00 -1.26 -0.09 121.76 125.01 1n9l s ALA 37 Ca -0.02 0.27 -0.11 0.00 0.00 0.00 0.00 51.96 52.10 1n9l s ALA 37 Cb -0.04 -0.16 0.10 0.00 0.00 0.00 0.00 23.12 23.03 1n9l s ALA 37 CO 0.02 -0.05 1.11 -1.54 0.00 0.00 0.00 175.76 175.31 1n9l s SER 38 N 0.07 3.72 0.23 0.00 1.04 0.86 -4.88 113.70 114.74 1n9l s SER 38 Ca -0.00 1.91 -0.06 0.00 0.48 0.00 0.00 55.95 58.28 1n9l s SER 38 Cb -0.01 -2.49 0.38 0.00 0.10 0.00 0.00 66.02 64.00 1n9l s SER 38 CO 0.00 -2.55 1.77 -0.08 0.98 0.00 0.00 173.24 173.37 1n9l h GLU 39 N -1.48 0.58 -0.94 4.02 4.81 -1.99 -1.87 114.58 117.71 1n9l h GLU 39 Ca -0.45 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 58.74 1n9l h GLU 39 Cb 1.25 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 30.46 1n9l h GLU 39 CO 0.48 0.38 0.56 0.78 -0.73 0.00 0.00 179.01 180.48 1n9l h GLY 40 N 0.60 1.36 0.76 1.92 0.00 -1.91 -2.26 103.07 103.53 1n9l h GLY 40 Ca 0.38 -0.57 0.03 0.00 0.00 0.00 0.00 47.33 47.16 1n9l h GLY 40 CO -0.30 0.55 0.02 -2.75 0.00 0.00 0.00 176.54 174.07 1n9l h PHE 41 N 1.29 0.04 -0.27 5.60 3.57 -1.64 0.11 116.94 125.64 1n9l h PHE 41 Ca 0.33 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.83 1n9l h PHE 41 Cb -0.05 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 1n9l h PHE 41 CO 0.01 0.00 0.12 1.88 -2.23 0.00 0.00 178.31 178.09 1n9l h TYR 42 N 0.10 0.41 -0.55 0.41 0.99 -1.38 -1.92 116.97 115.02 1n9l h TYR 42 Ca 0.09 -0.03 -0.07 0.00 2.00 0.00 0.00 58.73 60.73 1n9l h TYR 42 Cb 0.09 -0.12 -0.02 0.00 1.00 0.00 0.00 36.73 37.68 1n9l h TYR 42 CO -0.15 0.39 0.07 0.00 -0.00 0.00 0.00 178.16 178.48 1n9l h ALA 43 N 0.97 1.09 -0.00 3.88 0.00 -1.20 0.05 119.26 124.04 1n9l h ALA 43 Ca 0.09 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1n9l h ALA 43 Cb 0.15 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1n9l h ALA 43 CO -0.01 0.59 -0.00 1.98 0.00 0.00 0.00 179.25 181.81 1n9l h MET 44 N 0.84 0.00 0.00 0.00 1.85 -0.71 -3.31 114.93 113.60 1n9l h MET 44 Ca 0.17 -0.00 -0.06 0.00 -0.61 0.00 0.00 59.70 59.21 1n9l h MET 44 Cb 0.39 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.42 1n9l h MET 44 CO 0.01 0.62 -0.27 1.79 -0.40 0.00 0.00 176.91 178.66 1n9l h THR 45 N -0.62 0.59 0.00 -0.77 1.35 -1.37 -3.47 112.91 108.62 1n9l h THR 45 Ca -0.00 -1.33 0.00 0.00 -0.55 0.00 0.00 66.41 64.53 1n9l h THR 45 Cb 0.62 1.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 1n9l h THR 45 CO 0.00 0.26 0.00 0.61 -0.25 0.00 0.00 175.52 176.14 1n9l n GLY 46 N 0.41 0.87 3.91 5.82 0.00 -0.01 -0.26 105.19 115.94 1n9l n GLY 46 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 1n9l n GLY 46 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1n9l s TYR 47 N -3.11 3.48 0.31 1.61 1.51 -1.13 -4.80 117.35 115.23 1n9l s TYR 47 Ca 0.00 0.54 0.08 0.00 -1.01 0.00 0.00 57.07 56.67 1n9l s TYR 47 Cb 0.00 -2.02 -0.03 0.00 -0.11 0.00 0.00 41.96 39.80 1n9l s TYR 47 CO 0.00 0.21 0.23 0.20 -1.11 0.00 0.00 175.55 175.08 1n9l s GLY 48 N -3.26 1.68 0.12 0.71 0.00 -1.26 -4.50 107.32 100.81 1n9l s GLY 48 Ca 0.42 -1.61 -0.20 0.00 0.00 0.00 0.00 44.72 43.33 1n9l s GLY 48 CO 0.30 -1.58 1.75 -0.56 0.00 0.00 0.00 173.10 173.01 1n9l h PRO 49 N 1.40 0.14 -0.13 2.90 0.13 -1.98 -0.83 132.00 133.63 1n9l h PRO 49 Ca -0.46 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1n9l h PRO 49 Cb 1.25 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1n9l h PRO 49 CO 0.60 0.09 0.00 -0.40 -0.23 0.00 0.00 178.00 178.06 1n9l n ASP 50 N -5.05 0.13 0.00 1.44 5.75 -1.26 -1.77 116.55 115.79 1n9l n ASP 50 Ca -0.03 -0.37 0.00 0.00 -0.01 0.00 0.00 54.79 54.38 1n9l n ASP 50 Cb 0.07 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1n9l n ASP 50 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 1n9l n GLU 51 N 0.14 0.61 -0.00 0.11 2.13 -0.38 -4.92 120.64 118.33 1n9l n GLU 51 Ca 0.00 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.85 1n9l n GLU 51 Cb 0.03 -0.75 -0.04 0.00 0.27 0.00 0.00 31.44 30.95 1n9l n GLU 51 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 1n9l n VAL 52 N -1.77 0.00 -2.13 6.31 0.24 -0.83 -4.95 118.33 115.22 1n9l n VAL 52 Ca 0.00 -0.30 -0.41 0.00 -2.04 0.00 0.00 64.34 61.59 1n9l n VAL 52 Cb 0.25 0.88 -0.02 0.00 -1.47 0.00 0.00 33.84 33.48 1n9l n VAL 52 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1n9l s LEU 53 N -2.54 4.42 0.00 1.34 1.43 -0.73 -2.16 118.68 120.45 1n9l s LEU 53 Ca 0.02 2.61 0.00 0.00 -1.03 0.00 0.00 54.13 55.72 1n9l s LEU 53 Cb 0.05 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.64 1n9l s LEU 53 CO 0.30 -0.56 0.00 0.61 0.23 0.00 0.00 176.35 176.93 1n9l n GLY 54 N 1.48 0.76 3.39 -3.19 0.00 0.05 -4.95 105.19 102.73 1n9l n GLY 54 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 1n9l n GLY 54 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1n9l s HIS 55 N -2.74 2.24 0.40 1.61 3.76 -0.92 -4.69 115.29 114.96 1n9l s HIS 55 Ca 0.00 -0.38 -0.25 0.00 -0.15 0.00 0.00 55.06 54.28 1n9l s HIS 55 Cb 0.00 -1.18 -0.09 0.00 1.11 0.00 0.00 32.58 32.42 1n9l s HIS 55 CO 0.00 0.37 1.11 1.21 -0.85 0.00 0.00 174.74 176.58 1n9l s ASN 56 N -2.24 6.61 0.00 1.40 3.84 -1.26 -1.05 114.94 122.25 1n9l s ASN 56 Ca 0.15 2.20 0.11 0.00 0.21 0.00 0.00 52.86 55.54 1n9l s ASN 56 Cb -0.09 -2.60 0.68 0.00 -0.55 0.00 0.00 41.25 38.69 1n9l s ASN 56 CO 0.07 -0.60 1.10 0.00 -2.79 0.00 0.00 177.10 174.88 1n9l n ARG 58 N -0.91 0.03 0.05 0.00 1.85 -1.26 -2.16 116.66 114.25 1n9l n ARG 58 Ca 0.09 0.40 0.08 0.00 -1.00 0.00 0.00 57.85 57.41 1n9l n ARG 58 Cb 0.04 -1.57 0.33 0.00 -1.05 0.00 0.00 32.46 30.21 1n9l n ARG 58 CO 0.00 0.00 0.00 1.97 -0.01 0.00 0.00 177.63 179.59 1n9l n PHE 59 N -1.63 0.27 0.75 2.89 -1.74 -1.24 -1.72 117.46 115.04 1n9l n PHE 59 Ca 0.02 0.11 0.13 0.00 -0.56 0.00 0.00 57.45 57.15 1n9l n PHE 59 Cb 0.10 -0.68 0.43 0.00 1.52 0.00 0.00 39.48 40.84 1n9l n PHE 59 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48 1n9l n LEU 60 N -1.75 0.54 -4.90 5.98 4.77 -0.92 -4.89 117.00 115.84 1n9l n LEU 60 Ca 0.02 0.48 -0.29 0.00 -0.03 0.00 0.00 56.01 56.19 1n9l n LEU 60 Cb 0.15 -0.35 0.05 0.00 -2.33 0.00 0.00 43.42 40.94 1n9l n LEU 60 CO 0.13 -0.09 0.70 -1.10 -1.33 0.00 0.00 177.39 175.70 1n9l s GLN 61 N -3.07 2.70 0.00 3.23 -0.21 -0.70 -0.32 119.66 121.29 1n9l s GLN 61 Ca 0.11 0.27 0.00 0.00 0.02 0.00 0.00 55.36 55.76 1n9l s GLN 61 Cb 0.15 -2.07 0.00 0.00 1.00 0.00 0.00 33.01 32.09 1n9l s GLN 61 CO 0.60 -1.06 0.00 0.41 -2.12 0.00 0.00 175.29 173.12 1n9l n GLY 62 N -2.96 3.05 0.25 3.09 0.00 -1.26 -4.77 105.19 102.59 1n9l n GLY 62 Ca 0.07 -0.71 -0.09 0.00 0.00 0.00 0.00 46.02 45.29 1n9l n GLY 62 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1n9l h GLU 63 N 0.00 -0.23 -0.01 1.61 4.81 -1.98 -2.37 114.58 116.41 1n9l h GLU 63 Ca 0.00 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1n9l h GLU 63 Cb 0.00 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1n9l h GLU 63 CO 0.00 -0.15 0.00 0.41 -0.73 0.00 0.00 179.01 178.54 1n9l n GLY 64 N -1.36 -0.80 3.69 1.92 0.00 -1.26 -4.86 105.19 102.52 1n9l n GLY 64 Ca -0.02 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 1n9l n GLY 64 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n9l s THR 65 N -1.99 3.25 -0.38 2.61 2.01 -0.89 -4.82 115.64 115.43 1n9l s THR 65 Ca 0.41 0.67 -0.28 0.00 0.31 0.00 0.00 61.69 62.79 1n9l s THR 65 Cb 0.19 -3.43 -0.02 0.00 0.01 0.00 0.00 72.50 69.25 1n9l s THR 65 CO 0.32 -0.01 1.82 -0.62 -0.69 0.00 0.00 174.62 175.44 1n9l s ASP 66 N 2.31 5.77 0.63 3.53 -1.08 -1.26 -4.86 116.67 121.71 1n9l s ASP 66 Ca 0.71 1.15 0.35 0.00 -0.52 0.00 0.00 52.55 54.24 1n9l s ASP 66 Cb -0.37 -2.53 1.97 0.00 -1.46 0.00 0.00 42.92 40.54 1n9l s ASP 66 CO 0.30 -1.83 2.20 1.55 0.52 0.00 0.00 175.17 177.91 1n9l h PRO 67 N 13.32 0.00 -0.31 4.34 0.13 -1.96 -0.97 132.00 146.55 1n9l h PRO 67 Ca -0.32 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.65 1n9l h PRO 67 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1n9l h PRO 67 CO 1.06 0.00 -0.45 -0.22 -0.23 0.00 0.00 178.00 178.16 1n9l h LYS 68 N 0.00 0.81 -0.21 0.86 3.64 -1.99 -0.80 116.57 118.87 1n9l h LYS 68 Ca 0.02 -0.45 -0.19 0.00 -1.27 0.00 0.00 60.65 58.77 1n9l h LYS 68 Cb 0.26 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1n9l h LYS 68 CO -0.00 1.08 -0.61 0.93 -2.27 0.00 0.00 179.45 178.58 1n9l h GLU 69 N 0.64 0.72 -0.58 1.90 4.39 -1.57 -2.64 114.58 117.44 1n9l h GLU 69 Ca 0.04 -0.49 -0.00 0.00 0.34 0.00 0.00 59.36 59.25 1n9l h GLU 69 Cb 1.02 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.72 1n9l h GLU 69 CO 0.10 1.11 0.36 0.28 -1.16 0.00 0.00 179.01 179.70 1n9l h VAL 70 N 0.53 1.17 -0.32 3.13 2.07 -1.36 -1.88 116.25 119.59 1n9l h VAL 70 Ca -0.01 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 1n9l h VAL 70 Cb 1.20 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1n9l h VAL 70 CO 0.12 0.17 0.14 -0.61 0.02 0.00 0.00 177.57 177.42 1n9l h GLN 71 N 0.79 0.44 -0.48 1.57 5.75 -1.03 -0.85 115.11 121.30 1n9l h GLN 71 Ca 0.21 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.64 1n9l h GLN 71 Cb -0.03 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.41 1n9l h GLN 71 CO -0.04 0.36 0.22 -0.22 -2.65 0.00 0.00 178.83 176.50 1n9l h LYS 72 N 0.44 0.70 -0.51 1.69 3.64 -0.98 -0.49 116.57 121.06 1n9l h LYS 72 Ca 0.11 -0.11 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 1n9l h LYS 72 Cb 0.07 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 1n9l h LYS 72 CO -0.01 0.60 -0.01 0.82 -2.27 0.00 0.00 179.45 178.57 1n9l h ILE 73 N 0.63 1.26 -0.61 2.00 2.04 -1.00 -1.87 117.51 119.96 1n9l h ILE 73 Ca 0.16 -1.11 0.01 0.00 1.00 0.00 0.00 64.86 64.93 1n9l h ILE 73 Cb 0.14 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 1n9l h ILE 73 CO -0.02 0.39 0.39 -0.09 0.00 0.00 0.00 178.15 178.82 1n9l h ARG 74 N 0.77 0.77 -0.14 2.37 2.43 -0.85 -1.57 114.38 118.16 1n9l h ARG 74 Ca 0.14 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1n9l h ARG 74 Cb 0.54 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 1n9l h ARG 74 CO 0.03 0.51 0.07 -0.44 -1.51 0.00 0.00 179.97 178.63 1n9l h ASP 75 N 0.79 0.19 -0.59 -3.80 3.45 -0.92 -1.60 116.42 113.95 1n9l h ASP 75 Ca 0.23 -0.12 0.06 0.00 0.43 0.00 0.00 57.03 57.63 1n9l h ASP 75 Cb -0.05 -0.05 -0.05 0.00 -0.56 0.00 0.00 39.33 38.62 1n9l h ASP 75 CO -0.07 0.25 0.30 0.00 -1.57 0.00 0.00 179.24 178.15 1n9l h ALA 76 N 0.94 0.77 -0.07 3.45 0.00 -1.13 -0.18 119.26 123.05 1n9l h ALA 76 Ca 0.05 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1n9l h ALA 76 Cb 0.11 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1n9l h ALA 76 CO -0.01 -0.05 0.04 0.82 0.00 0.00 0.00 179.25 180.05 1n9l h ILE 77 N 0.56 1.03 0.00 0.00 2.04 -1.11 0.28 117.51 120.31 1n9l h ILE 77 Ca 0.27 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 66.02 1n9l h ILE 77 Cb 0.19 0.97 -0.00 0.00 -0.74 0.00 0.00 36.82 37.24 1n9l h ILE 77 CO -0.19 0.03 -0.09 0.11 0.00 0.00 0.00 178.15 178.01 1n9l h LYS 78 N 0.07 0.00 -0.01 2.37 1.79 -0.92 -0.03 116.57 119.84 1n9l h LYS 78 Ca 0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1n9l h LYS 78 Cb 0.01 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.66 1n9l h LYS 78 CO -0.00 0.09 -0.30 1.63 -1.08 0.00 0.00 179.45 179.79 1n9l n LYS 79 N -3.72 1.07 -3.34 3.15 5.02 -0.11 -4.95 118.16 115.28 1n9l n LYS 79 Ca -0.02 -0.74 -0.18 0.00 -2.02 0.00 0.00 58.31 55.35 1n9l n LYS 79 Cb 0.19 -1.48 0.07 0.00 -0.02 0.00 0.00 35.03 33.79 1n9l n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1n9l n GLY 80 N 1.35 -0.28 3.38 0.72 0.00 0.71 -5.02 105.19 106.05 1n9l n GLY 80 Ca 0.12 0.07 -0.20 0.00 0.00 0.00 0.00 46.02 46.01 1n9l n GLY 80 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n9l s GLU 81 N -5.76 1.43 0.73 1.61 2.02 0.36 -4.86 118.70 114.23 1n9l s GLU 81 Ca 0.32 -1.66 -0.11 0.00 0.02 0.00 0.00 54.97 53.54 1n9l s GLU 81 Cb -0.14 -1.23 0.03 0.00 0.10 0.00 0.00 34.13 32.89 1n9l s GLU 81 CO 0.61 0.17 1.08 0.00 0.02 0.00 0.00 175.26 177.14 1n9l s ALA 82 N -2.91 2.60 -0.16 5.21 0.00 -1.26 -4.35 121.76 120.89 1n9l s ALA 82 Ca 0.25 -0.10 -0.30 0.00 0.00 0.00 0.00 51.96 51.81 1n9l s ALA 82 Cb -0.00 -3.12 0.13 0.00 0.00 0.00 0.00 23.12 20.12 1n9l s ALA 82 CO 0.09 -1.33 0.99 0.00 0.00 0.00 0.00 175.76 175.51 1n9l s SER 84 N -1.12 1.27 0.07 0.00 0.15 -1.26 -0.49 113.70 112.31 1n9l s SER 84 Ca -0.02 -0.20 -0.08 0.00 0.70 0.00 0.00 55.95 56.36 1n9l s SER 84 Cb -0.00 -0.56 -0.00 0.00 -1.71 0.00 0.00 66.02 63.74 1n9l s SER 84 CO 0.02 -0.00 0.16 0.68 1.20 0.00 0.00 173.24 175.30 1n9l s VAL 85 N 0.70 0.14 -0.25 4.45 -7.23 0.46 -5.00 120.40 113.67 1n9l s VAL 85 Ca -0.12 -1.15 -0.08 0.00 -1.81 0.00 0.00 61.98 58.83 1n9l s VAL 85 Cb -0.14 -1.19 -0.03 0.00 0.56 0.00 0.00 36.38 35.58 1n9l s VAL 85 CO 0.02 -0.64 0.08 -0.60 -0.31 0.00 0.00 175.10 173.65 1n9l s ARG 86 N -3.38 3.68 0.05 4.82 3.52 -1.26 -0.26 118.95 126.11 1n9l s ARG 86 Ca 0.01 -0.46 0.03 0.00 -0.13 0.00 0.00 55.73 55.18 1n9l s ARG 86 Cb 0.03 -3.34 -0.02 0.00 -1.56 0.00 0.00 34.95 30.05 1n9l s ARG 86 CO -0.08 -0.18 -0.10 -0.51 -0.81 0.00 0.00 175.30 173.62 1n9l s LEU 87 N 1.59 2.23 -0.08 -0.88 1.43 0.42 -4.97 118.68 118.42 1n9l s LEU 87 Ca 0.06 -0.51 -0.24 0.00 -1.03 0.00 0.00 54.13 52.41 1n9l s LEU 87 Cb -0.15 -0.33 -0.03 0.00 0.03 0.00 0.00 46.19 45.70 1n9l s LEU 87 CO 0.04 -0.11 0.75 -0.22 0.23 0.00 0.00 176.35 177.04 1n9l s LEU 88 N -1.42 4.30 0.34 1.79 2.96 -1.26 -0.43 118.68 124.95 1n9l s LEU 88 Ca -0.05 1.23 0.04 0.00 -0.22 0.00 0.00 54.13 55.13 1n9l s LEU 88 Cb -0.09 -3.16 -0.06 0.00 0.50 0.00 0.00 46.19 43.39 1n9l s LEU 88 CO 0.01 -0.18 0.07 0.20 -1.32 0.00 0.00 176.35 175.13 1n9l s ASN 89 N 0.89 2.47 0.01 3.68 0.02 -0.17 -4.50 114.94 117.34 1n9l s ASN 89 Ca 0.39 -1.43 0.02 0.00 -1.02 0.00 0.00 52.86 50.82 1n9l s ASN 89 Cb -0.18 0.03 -0.01 0.00 0.02 0.00 0.00 41.25 41.11 1n9l s ASN 89 CO 0.18 -0.67 -0.08 -0.31 0.02 0.00 0.00 177.10 176.25 1n9l s TYR 90 N -3.28 0.67 0.90 2.20 1.51 0.56 -1.21 117.35 118.70 1n9l s TYR 90 Ca 0.34 -0.21 -0.12 0.00 -1.01 0.00 0.00 57.07 56.07 1n9l s TYR 90 Cb 0.08 -0.42 0.13 0.00 -0.11 0.00 0.00 41.96 41.63 1n9l s TYR 90 CO 0.15 -0.02 1.14 1.03 -1.11 0.00 0.00 175.55 176.74 1n9l s ARG 91 N -0.52 1.26 0.48 -0.62 0.52 0.41 -4.77 118.95 115.72 1n9l s ARG 91 Ca 0.00 0.27 0.16 0.00 -0.52 0.00 0.00 55.73 55.64 1n9l s ARG 91 Cb -0.04 -1.86 1.17 0.00 0.52 0.00 0.00 34.95 34.74 1n9l s ARG 91 CO 0.00 -2.11 2.05 -0.22 0.02 0.00 0.00 175.30 175.04 1n9l h LYS 92 N -1.43 0.20 0.00 3.54 3.64 -0.94 0.26 116.57 121.84 1n9l h LYS 92 Ca -0.50 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1n9l h LYS 92 Cb 1.33 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1n9l h LYS 92 CO 0.63 0.13 0.00 -0.40 -2.27 0.00 0.00 179.45 177.54 1n9l n ASP 93 N -4.47 0.00 0.00 4.20 5.75 -1.26 -4.90 116.55 115.87 1n9l n ASP 93 Ca 0.05 -0.98 0.00 0.00 -0.01 0.00 0.00 54.79 53.84 1n9l n ASP 93 Cb 0.28 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.37 1n9l n ASP 93 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1n9l n GLY 94 N 0.94 1.01 3.75 6.12 0.00 0.92 -5.05 105.19 112.88 1n9l n GLY 94 Ca 0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 1n9l n GLY 94 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n9l s THR 95 N -2.48 3.62 0.55 2.61 -4.23 -1.26 -4.66 115.64 109.79 1n9l s THR 95 Ca 0.00 1.61 -0.10 0.00 -1.18 0.00 0.00 61.69 62.03 1n9l s THR 95 Cb 0.00 -4.03 -0.04 0.00 1.34 0.00 0.00 72.50 69.77 1n9l s THR 95 CO 0.00 0.37 0.92 -2.16 -0.54 0.00 0.00 174.62 173.22 1n9l s PRO 96 N -1.29 3.63 -0.10 3.99 0.04 -1.26 -0.44 135.00 139.56 1n9l s PRO 96 Ca 0.44 0.56 -0.30 0.00 0.04 0.00 0.00 61.00 61.74 1n9l s PRO 96 Cb -0.31 -2.21 0.09 0.00 0.04 0.00 0.00 34.50 32.11 1n9l s PRO 96 CO 0.39 -0.37 0.78 -0.59 0.04 0.00 0.00 177.00 177.24 1n9l s PHE 97 N -2.91 -0.59 -0.12 0.56 -0.71 -0.35 -4.91 117.98 108.95 1n9l s PHE 97 Ca 0.53 1.06 -0.20 0.00 -1.04 0.00 0.00 56.93 57.28 1n9l s PHE 97 Cb -0.11 0.41 -0.04 0.00 -1.21 0.00 0.00 43.02 42.08 1n9l s PHE 97 CO 0.47 -0.51 0.57 -1.58 -1.34 0.00 0.00 175.22 172.83 1n9l s TRP 98 N -1.01 3.50 -0.19 3.49 0.52 -1.26 -1.00 118.94 122.99 1n9l s TRP 98 Ca -0.07 0.99 -0.00 0.00 0.02 0.00 0.00 56.10 57.03 1n9l s TRP 98 Cb -0.01 -2.68 0.01 0.00 -1.15 0.00 0.00 33.47 29.65 1n9l s TRP 98 CO 0.07 0.06 -0.16 1.21 0.02 0.00 0.00 176.95 178.16 1n9l s ASN 99 N 0.81 3.47 -0.52 2.95 2.47 0.42 -1.03 114.94 123.52 1n9l s ASN 99 Ca 0.30 -0.57 -0.19 0.00 0.42 0.00 0.00 52.86 52.82 1n9l s ASN 99 Cb -0.16 -1.55 0.07 0.00 -1.45 0.00 0.00 41.25 38.16 1n9l s ASN 99 CO 0.12 0.00 0.62 -0.22 -3.72 0.00 0.00 177.10 173.90 1n9l s LEU 100 N 1.31 5.12 -0.11 3.21 2.96 -0.08 -0.44 118.68 130.65 1n9l s LEU 100 Ca 0.04 -1.06 -0.04 0.00 -0.22 0.00 0.00 54.13 52.85 1n9l s LEU 100 Cb -0.13 -2.39 -0.04 0.00 0.50 0.00 0.00 46.19 44.13 1n9l s LEU 100 CO -0.10 -0.91 0.04 -0.22 -1.32 0.00 0.00 176.35 173.85 1n9l s LEU 101 N 2.53 3.81 -0.10 -0.68 2.96 0.64 -1.96 118.68 125.88 1n9l s LEU 101 Ca 0.13 0.20 0.00 0.00 -0.22 0.00 0.00 54.13 54.24 1n9l s LEU 101 Cb -0.21 -1.90 0.02 0.00 0.50 0.00 0.00 46.19 44.60 1n9l s LEU 101 CO 0.10 0.34 -0.08 -0.89 -1.32 0.00 0.00 176.35 174.50 1n9l s THR 102 N -0.65 1.02 -0.13 3.68 2.01 -0.69 -0.41 115.64 120.48 1n9l s THR 102 Ca 0.11 -0.31 -0.03 0.00 0.31 0.00 0.00 61.69 61.77 1n9l s THR 102 Cb -0.12 -1.03 -0.03 0.00 0.01 0.00 0.00 72.50 71.34 1n9l s THR 102 CO 0.02 0.36 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.59 1n9l s VAL 103 N 1.53 3.97 -0.07 3.82 1.01 0.35 -1.44 120.40 129.57 1n9l s VAL 103 Ca 0.02 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 61.67 1n9l s VAL 103 Cb -0.13 -2.71 0.01 0.00 0.00 0.00 0.00 36.38 33.55 1n9l s VAL 103 CO -0.06 0.53 -0.13 -0.89 0.00 0.00 0.00 175.10 174.54 1n9l s THR 104 N -0.01 1.21 0.20 3.92 2.01 0.47 -1.60 115.64 121.83 1n9l s THR 104 Ca 0.01 -0.51 -0.29 0.00 0.31 0.00 0.00 61.69 61.21 1n9l s THR 104 Cb -0.13 -1.10 -0.08 0.00 0.01 0.00 0.00 72.50 71.20 1n9l s THR 104 CO 0.02 0.37 0.92 -2.16 -0.69 0.00 0.00 174.62 173.08 1n9l s PRO 105 N 0.69 4.77 -0.19 4.92 0.04 -1.26 0.05 135.00 144.03 1n9l s PRO 105 Ca -0.14 1.42 -0.02 0.00 0.04 0.00 0.00 61.00 62.30 1n9l s PRO 105 Cb -0.16 -3.30 -0.00 0.00 0.04 0.00 0.00 34.50 31.08 1n9l s PRO 105 CO 0.03 0.46 -0.10 0.42 0.04 0.00 0.00 177.00 177.85 1n9l s ILE 106 N -0.89 3.02 0.24 0.56 -1.09 0.16 -4.93 121.20 118.27 1n9l s ILE 106 Ca 0.41 -0.62 0.08 0.00 -2.23 0.00 0.00 60.65 58.29 1n9l s ILE 106 Cb -0.25 -2.33 -0.04 0.00 -1.58 0.00 0.00 42.46 38.26 1n9l s ILE 106 CO 0.30 0.47 0.10 -0.54 -1.23 0.00 0.00 174.94 174.04 1n9l s LYS 107 N 1.18 2.64 0.57 2.79 1.02 -1.26 -0.35 119.74 126.33 1n9l s LYS 107 Ca 0.02 -1.17 0.00 0.00 0.02 0.00 0.00 55.97 54.84 1n9l s LYS 107 Cb -0.14 -2.40 0.04 0.00 -0.52 0.00 0.00 37.83 34.80 1n9l s LYS 107 CO -0.03 0.40 0.81 0.95 -0.92 0.00 0.00 175.35 176.56 1n9l s THR 108 N -2.12 2.64 0.55 2.17 -4.23 0.00 -4.86 115.64 109.79 1n9l s THR 108 Ca 0.31 -0.60 0.26 0.00 -1.18 0.00 0.00 61.69 60.49 1n9l s THR 108 Cb -0.08 -3.01 0.39 0.00 1.34 0.00 0.00 72.50 71.14 1n9l s THR 108 CO 0.22 -0.01 2.01 1.55 -0.54 0.00 0.00 174.62 177.85 1n9l h PRO 109 N -0.03 0.00 0.00 3.99 0.13 -2.01 0.32 132.00 134.41 1n9l h PRO 109 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1n9l h PRO 109 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1n9l h PRO 109 CO 0.53 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.90 1n9l n ASP 110 N -4.19 0.00 0.00 1.44 5.68 -1.26 -4.86 116.55 113.36 1n9l n ASP 110 Ca 0.08 -1.08 0.00 0.00 -0.50 0.00 0.00 54.79 53.28 1n9l n ASP 110 Cb 0.55 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.53 1n9l n ASP 110 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1n9l n GLY 111 N 0.43 2.26 3.81 6.12 0.00 0.10 -5.04 105.19 112.87 1n9l n GLY 111 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 1n9l n GLY 111 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n9l s ARG 112 N -0.42 4.24 -0.21 1.61 0.52 -1.26 -4.75 118.95 118.69 1n9l s ARG 112 Ca 0.00 1.22 -0.29 0.00 -0.52 0.00 0.00 55.73 56.14 1n9l s ARG 112 Cb 0.00 -2.33 0.00 0.00 0.52 0.00 0.00 34.95 33.15 1n9l s ARG 112 CO 0.00 -0.03 1.10 0.08 0.02 0.00 0.00 175.30 176.47 1n9l s VAL 113 N -2.00 4.58 -0.24 3.52 1.01 -1.26 -0.82 120.40 125.20 1n9l s VAL 113 Ca 0.60 1.91 -0.06 0.00 0.00 0.00 0.00 61.98 64.43 1n9l s VAL 113 Cb -0.13 -4.23 -0.18 0.00 0.00 0.00 0.00 36.38 31.84 1n9l s VAL 113 CO 0.17 -0.17 -0.12 -0.24 0.00 0.00 0.00 175.10 174.75 1n9l n SER 114 N 6.37 1.99 -4.10 3.32 2.88 0.53 -4.59 113.62 120.02 1n9l n SER 114 Ca 0.12 0.09 -0.08 0.00 -1.33 0.00 0.00 58.87 57.67 1n9l n SER 114 Cb 0.46 -0.64 -0.10 0.00 -0.75 0.00 0.00 64.21 63.18 1n9l n SER 114 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1n9l s LYS 115 N -2.51 0.78 -0.07 -1.46 -0.14 -0.89 -1.56 119.74 113.89 1n9l s LYS 115 Ca -0.33 -1.30 0.04 0.00 -1.36 0.00 0.00 55.97 53.01 1n9l s LYS 115 Cb 0.10 0.24 0.00 0.00 -1.68 0.00 0.00 37.83 36.49 1n9l s LYS 115 CO 0.60 -0.19 -0.19 -0.06 -0.76 0.00 0.00 175.35 174.75 1n9l s PHE 116 N -3.98 1.96 -0.05 3.18 0.08 -0.00 0.39 117.98 119.55 1n9l s PHE 116 Ca 0.15 -0.68 0.01 0.00 0.12 0.00 0.00 56.93 56.52 1n9l s PHE 116 Cb 0.07 -1.33 -0.03 0.00 -0.57 0.00 0.00 43.02 41.16 1n9l s PHE 116 CO -0.04 -0.27 -0.05 0.14 -0.10 0.00 0.00 175.22 174.90 1n9l s VAL 117 N 0.27 3.86 -0.05 -0.44 -7.23 0.11 -0.27 120.40 116.65 1n9l s VAL 117 Ca -0.11 -0.49 0.03 0.00 -1.81 0.00 0.00 61.98 59.60 1n9l s VAL 117 Cb -0.15 -2.62 0.00 0.00 0.56 0.00 0.00 36.38 34.18 1n9l s VAL 117 CO 0.05 0.54 -0.14 -0.83 -0.31 0.00 0.00 175.10 174.41 1n9l s GLY 118 N -1.00 0.80 -0.19 2.32 0.00 -0.05 -0.40 107.32 108.81 1n9l s GLY 118 Ca 0.14 -0.53 -0.01 0.00 0.00 0.00 0.00 44.72 44.32 1n9l s GLY 118 CO 0.03 -0.16 -0.13 0.14 0.00 0.00 0.00 173.10 172.99 1n9l s VAL 119 N 0.26 2.71 -0.07 1.40 1.01 -0.52 -1.17 120.40 124.02 1n9l s VAL 119 Ca -0.07 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.20 1n9l s VAL 119 Cb -0.12 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 34.05 1n9l s VAL 119 CO 0.02 0.49 -0.09 -1.10 0.00 0.00 0.00 175.10 174.42 1n9l s GLN 120 N 1.23 2.74 -0.08 2.72 1.11 -0.32 -1.71 119.66 125.36 1n9l s GLN 120 Ca 0.03 -0.59 -0.00 0.00 0.01 0.00 0.00 55.36 54.80 1n9l s GLN 120 Cb -0.14 -2.55 0.02 0.00 -1.01 0.00 0.00 33.01 29.34 1n9l s GLN 120 CO -0.06 0.62 -0.05 0.08 0.01 0.00 0.00 175.29 175.89 1n9l s VAL 121 N -0.70 0.71 -0.57 1.09 1.01 -0.83 -0.50 120.40 120.61 1n9l s VAL 121 Ca 0.11 -0.13 -0.28 0.00 0.00 0.00 0.00 61.98 61.67 1n9l s VAL 121 Cb -0.11 -0.76 0.03 0.00 0.00 0.00 0.00 36.38 35.53 1n9l s VAL 121 CO 0.01 0.30 1.22 -0.62 0.00 0.00 0.00 175.10 176.01 1n9l s ASP 122 N 1.51 6.42 -0.21 3.32 3.68 -1.26 -0.90 116.67 129.22 1n9l s ASP 122 Ca -0.01 0.17 0.15 0.00 2.13 0.00 0.00 52.55 54.99 1n9l s ASP 122 Cb -0.13 -2.55 0.76 0.00 -1.45 0.00 0.00 42.92 39.55 1n9l s ASP 122 CO -0.04 -1.50 1.68 1.33 0.13 0.00 0.00 175.17 176.77 1n9l n VAL 123 N 6.72 2.57 0.21 1.11 0.24 -0.19 -4.44 118.33 124.55 1n9l n VAL 123 Ca 0.09 -1.46 0.16 0.00 -2.04 0.00 0.00 64.34 61.09 1n9l n VAL 123 Cb 0.49 -0.22 0.81 0.00 -1.47 0.00 0.00 33.84 33.45 1n9l n VAL 123 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1n9l h THR 124 N 3.63 0.57 0.00 3.34 2.02 -1.89 -3.47 112.91 117.11 1n9l h THR 124 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1n9l h THR 124 Cb 1.82 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 69.12 1n9l h THR 124 CO 0.41 0.00 0.00 -1.20 0.37 0.00 0.00 175.52 175.10