#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ssa s GLU 2 N 0.00 4.22 0.91 1.64 -1.05 -1.26 -5.04 118.70 118.12 1ssa s GLU 2 Ca 0.00 0.92 -0.12 0.00 -0.15 0.00 0.00 54.97 55.62 1ssa s GLU 2 Cb 0.00 -2.61 0.14 0.00 -0.44 0.00 0.00 34.13 31.22 1ssa s GLU 2 CO 0.00 0.23 1.10 0.95 0.95 0.00 0.00 175.26 178.49 1ssa s THR 3 N -1.79 2.44 0.25 1.83 -4.23 -1.26 -4.84 115.64 108.04 1ssa s THR 3 Ca 0.51 0.14 -0.03 0.00 -1.18 0.00 0.00 61.69 61.13 1ssa s THR 3 Cb -0.14 -2.73 0.12 0.00 1.34 0.00 0.00 72.50 71.09 1ssa s THR 3 CO 0.19 -0.19 1.76 0.00 -0.54 0.00 0.00 174.62 175.84 1ssa h ALA 4 N -1.56 1.08 -0.80 3.99 0.00 -1.99 -1.96 119.26 118.03 1ssa h ALA 4 Ca -0.51 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.14 1ssa h ALA 4 Cb 1.30 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 1ssa h ALA 4 CO 0.58 0.59 0.46 0.00 0.00 0.00 0.00 179.25 180.88 1ssa h ALA 5 N 1.24 1.02 -0.36 0.00 0.00 -1.97 -1.31 119.26 117.88 1ssa h ALA 5 Ca 0.16 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 1ssa h ALA 5 Cb 0.43 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1ssa h ALA 5 CO 0.01 0.50 -0.30 0.00 0.00 0.00 0.00 179.25 179.46 1ssa h ALA 6 N 1.25 0.52 -0.39 0.00 0.00 -1.84 -2.51 119.26 116.28 1ssa h ALA 6 Ca 0.28 -0.41 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1ssa h ALA 6 Cb -0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1ssa h ALA 6 CO -0.05 0.55 -0.01 -0.22 0.00 0.00 0.00 179.25 179.52 1ssa h LYS 7 N 0.63 0.63 0.03 0.00 3.64 -1.14 -1.34 116.57 119.01 1ssa h LYS 7 Ca 0.06 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1ssa h LYS 7 Cb 0.88 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1ssa h LYS 7 CO 0.08 0.66 -0.02 0.35 -2.27 0.00 0.00 179.45 178.25 1ssa h PHE 8 N 0.60 -0.04 0.17 1.91 3.04 -1.04 -1.63 116.94 119.94 1ssa h PHE 8 Ca 0.12 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.07 1ssa h PHE 8 Cb 0.39 0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.91 1ssa h PHE 8 CO 0.02 -0.03 -0.12 0.93 -2.02 0.00 0.00 178.31 177.09 1ssa h GLU 9 N -0.04 -0.27 -0.09 1.11 5.08 -1.04 0.09 114.58 119.42 1ssa h GLU 9 Ca -0.00 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1ssa h GLU 9 Cb 0.04 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.29 1ssa h GLU 9 CO 0.00 -0.18 -0.25 -0.09 -1.00 0.00 0.00 179.01 177.49 1ssa h ARG 10 N -0.28 -0.32 0.00 2.33 2.43 -1.18 0.58 114.38 117.94 1ssa h ARG 10 Ca -0.01 0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.06 1ssa h ARG 10 Cb 0.25 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 1ssa h ARG 10 CO 0.00 -0.22 -0.56 1.96 -1.51 0.00 0.00 179.97 179.65 1ssa h GLN 11 N -0.34 0.00 0.00 0.20 4.20 -1.29 -3.39 115.11 114.49 1ssa h GLN 11 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1ssa h GLN 11 Cb 0.47 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.25 1ssa h GLN 11 CO -0.28 0.56 0.00 0.72 -0.67 0.00 0.00 178.83 179.16 1ssa n HIS 12 N -3.78 0.00 -3.44 2.96 8.25 0.01 -4.66 115.22 114.56 1ssa n HIS 12 Ca -0.01 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.08 1ssa n HIS 12 Cb 0.58 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.63 1ssa n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1ssa s MET 13 N -0.45 4.24 -0.40 -0.41 -1.94 0.17 -0.80 119.30 119.71 1ssa s MET 13 Ca 0.00 0.28 0.06 0.00 -1.71 0.00 0.00 55.69 54.32 1ssa s MET 13 Cb 0.00 -3.40 0.22 0.00 2.01 0.00 0.00 34.83 33.65 1ssa s MET 13 CO 0.00 0.26 0.47 -3.47 -0.01 0.00 0.00 175.02 172.27 1ssa n ASP 14 N 3.39 -0.27 0.00 3.03 2.03 0.40 -4.89 116.55 120.25 1ssa n ASP 14 Ca -0.10 -2.59 0.14 0.00 0.52 0.00 0.00 54.79 52.76 1ssa n ASP 14 Cb 0.52 -0.47 0.69 0.00 -0.72 0.00 0.00 41.12 41.14 1ssa n ASP 14 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1ssa n SER 15 N 2.00 0.00 0.15 1.67 7.64 -1.26 -3.73 113.62 120.09 1ssa n SER 15 Ca 0.24 0.02 0.02 0.00 1.01 0.00 0.00 58.87 60.16 1ssa n SER 15 Cb 0.51 -0.33 0.20 0.00 -1.01 0.00 0.00 64.21 63.58 1ssa n SER 15 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1ssa h SER 16 N 0.00 0.00 -4.20 6.43 4.64 -1.92 -3.45 113.55 115.04 1ssa h SER 16 Ca 0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 1ssa h SER 16 Cb 0.32 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 62.19 1ssa h SER 16 CO 0.00 0.53 -0.82 0.42 -0.87 0.00 0.00 176.83 176.08 1ssa s THR 17 N -3.44 1.67 -0.36 2.95 -4.23 -1.24 -5.06 115.64 105.93 1ssa s THR 17 Ca 0.00 -1.51 0.26 0.00 -1.18 0.00 0.00 61.69 59.26 1ssa s THR 17 Cb 0.11 -1.52 0.34 0.00 1.34 0.00 0.00 72.50 72.77 1ssa s THR 17 CO 0.73 -0.06 1.72 0.77 -0.54 0.00 0.00 174.62 177.24 1ssa h SER 18 N 4.13 0.00 -5.34 3.99 4.64 -1.87 -3.44 113.55 115.65 1ssa h SER 18 Ca -0.46 0.00 0.18 0.00 -0.47 0.00 0.00 61.79 61.04 1ssa h SER 18 Cb 1.18 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.19 1ssa h SER 18 CO 0.40 0.00 0.50 0.00 -0.87 0.00 0.00 176.83 176.85 1ssa s ALA 19 N -3.30 -1.66 0.26 5.18 0.00 -1.26 -4.86 121.76 116.13 1ssa s ALA 19 Ca 0.06 0.10 -0.30 0.00 0.00 0.00 0.00 51.96 51.82 1ssa s ALA 19 Cb 0.07 0.64 -0.10 0.00 0.00 0.00 0.00 23.12 23.73 1ssa s ALA 19 CO 0.62 -1.05 1.47 0.00 0.00 0.00 0.00 175.76 176.80 1ssa s ALA 20 N -3.20 3.65 -0.02 0.00 0.00 -1.26 -4.94 121.76 115.99 1ssa s ALA 20 Ca 0.13 1.38 -0.07 0.00 0.00 0.00 0.00 51.96 53.41 1ssa s ALA 20 Cb -0.01 -3.58 -0.04 0.00 0.00 0.00 0.00 23.12 19.50 1ssa s ALA 20 CO 0.02 -0.80 0.47 0.66 0.00 0.00 0.00 175.76 176.12 1ssa h SER 21 N 4.90 -0.20 -4.27 0.00 4.64 -2.00 -3.49 113.55 113.15 1ssa h SER 21 Ca -0.46 0.01 -0.45 0.00 -0.47 0.00 0.00 61.79 60.41 1ssa h SER 21 Cb 1.22 0.05 -0.14 0.00 -0.31 0.00 0.00 62.40 63.22 1ssa h SER 21 CO 0.77 0.00 -0.55 -0.94 -0.87 0.00 0.00 176.83 175.24 1ssa s SER 22 N -3.70 1.89 0.00 4.97 1.04 -1.26 -5.02 113.70 111.62 1ssa s SER 22 Ca -0.03 -1.57 0.09 0.00 0.48 0.00 0.00 55.95 54.91 1ssa s SER 22 Cb 0.00 0.37 0.45 0.00 0.10 0.00 0.00 66.02 66.94 1ssa s SER 22 CO 0.10 -0.87 1.11 -1.54 0.98 0.00 0.00 173.24 173.02 1ssa n SER 23 N -1.00 0.00 -0.96 7.02 3.41 -1.26 -0.72 113.62 120.11 1ssa n SER 23 Ca -0.01 0.07 0.12 0.00 -0.26 0.00 0.00 58.87 58.79 1ssa n SER 23 Cb 0.65 -0.23 0.21 0.00 -0.26 0.00 0.00 64.21 64.58 1ssa n SER 23 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1ssa n ASN 24 N -1.23 2.93 0.02 4.04 2.85 -1.26 -4.47 115.26 118.14 1ssa n ASN 24 Ca 0.05 -1.93 -0.11 0.00 -0.11 0.00 0.00 54.58 52.48 1ssa n ASN 24 Cb 0.06 -0.11 -0.05 0.00 1.24 0.00 0.00 39.78 40.92 1ssa n ASN 24 CO 0.00 0.00 0.00 0.22 -2.11 0.00 0.00 177.26 175.37 1ssa h TYR 25 N 4.18 -0.13 -0.21 1.20 5.03 -1.33 -2.24 116.97 123.48 1ssa h TYR 25 Ca 0.00 0.01 0.02 0.00 2.58 0.00 0.00 58.73 61.33 1ssa h TYR 25 Cb 0.90 0.07 -0.02 0.00 1.55 0.00 0.00 36.73 39.23 1ssa h TYR 25 CO 0.11 -0.09 0.09 0.00 -1.32 0.00 0.00 178.16 176.95 1ssa h ASN 27 N 0.20 -0.92 0.03 0.00 2.35 -1.80 0.21 115.58 115.65 1ssa h ASN 27 Ca 0.09 0.17 -0.00 0.00 -0.55 0.00 0.00 56.30 56.01 1ssa h ASN 27 Cb 0.03 0.45 0.00 0.00 0.05 0.00 0.00 38.32 38.85 1ssa h ASN 27 CO -0.07 -0.29 -0.02 1.56 -1.65 0.00 0.00 177.43 176.96 1ssa h GLN 28 N -0.22 -0.04 -0.51 0.81 4.20 -1.23 -3.11 115.11 115.00 1ssa h GLN 28 Ca 0.17 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.77 1ssa h GLN 28 Cb 0.50 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.28 1ssa h GLN 28 CO -0.50 0.26 -0.12 0.52 -0.67 0.00 0.00 178.83 178.32 1ssa h MET 29 N -0.34 0.99 -0.87 1.46 2.86 -0.85 0.60 114.93 118.78 1ssa h MET 29 Ca -0.00 -0.38 0.04 0.00 -2.06 0.00 0.00 59.70 57.30 1ssa h MET 29 Cb 0.32 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 31.87 1ssa h MET 29 CO 0.01 1.05 0.56 0.52 1.06 0.00 0.00 176.91 180.11 1ssa h MET 30 N 0.85 1.04 0.09 1.72 2.86 -0.68 -1.02 114.93 119.79 1ssa h MET 30 Ca 0.13 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1ssa h MET 30 Cb 0.69 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 32.11 1ssa h MET 30 CO 0.05 0.69 -0.04 -0.22 1.06 0.00 0.00 176.91 178.45 1ssa h LYS 31 N 1.07 -0.11 -0.68 1.72 1.63 -1.45 0.66 116.57 119.41 1ssa h LYS 31 Ca 0.35 0.01 0.15 0.00 -0.85 0.00 0.00 60.65 60.30 1ssa h LYS 31 Cb 0.03 0.03 -0.11 0.00 -0.60 0.00 0.00 32.23 31.57 1ssa h LYS 31 CO -0.12 0.37 0.03 0.77 -3.45 0.00 0.00 179.45 177.05 1ssa h SER 32 N -0.67 -0.25 -0.21 4.20 0.02 -0.67 -0.94 113.55 115.03 1ssa h SER 32 Ca -0.01 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1ssa h SER 32 Cb 0.54 0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.36 1ssa h SER 32 CO 0.02 -0.12 0.00 0.54 -1.14 0.00 0.00 176.83 176.13 1ssa n ARG 33 N -5.28 1.51 -3.26 3.45 5.12 -0.40 -4.91 116.66 112.89 1ssa n ARG 33 Ca 0.11 -0.79 -0.17 0.00 -1.93 0.00 0.00 57.85 55.08 1ssa n ARG 33 Cb 0.41 -1.19 0.06 0.00 -1.16 0.00 0.00 32.46 30.57 1ssa n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1ssa n ASN 34 N 0.13 -4.81 -0.92 0.55 5.03 -0.36 -4.84 115.26 110.04 1ssa n ASN 34 Ca 0.08 -0.39 0.12 0.00 0.87 0.00 0.00 54.58 55.26 1ssa n ASN 34 Cb 0.19 -3.75 0.26 0.00 -1.02 0.00 0.00 39.78 35.47 1ssa n ASN 34 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1ssa n LEU 35 N -3.67 2.78 -1.00 3.41 4.77 0.23 -4.17 117.00 119.34 1ssa n LEU 35 Ca -0.02 -1.13 0.01 0.00 -0.03 0.00 0.00 56.01 54.84 1ssa n LEU 35 Cb 0.55 -0.16 0.15 0.00 -2.33 0.00 0.00 43.42 41.64 1ssa n LEU 35 CO 0.46 0.57 0.29 0.35 -1.33 0.00 0.00 177.39 177.72 1ssa n THR 36 N 1.07 1.98 0.00 -5.08 -2.24 -1.23 -2.18 114.28 106.60 1ssa n THR 36 Ca 0.18 -3.15 0.00 0.00 -2.27 0.00 0.00 64.05 58.81 1ssa n THR 36 Cb 0.51 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 1ssa n THR 36 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1ssa n LYS 37 N -0.85 0.00 -0.10 -0.78 4.01 -1.26 -4.61 118.16 114.57 1ssa n LYS 37 Ca 0.21 0.00 -0.13 0.00 -0.51 0.00 0.00 58.31 57.89 1ssa n LYS 37 Cb 0.79 -0.34 -0.03 0.00 -0.51 0.00 0.00 35.03 34.94 1ssa n LYS 37 CO 0.00 0.00 0.00 -0.44 -1.11 0.00 0.00 177.40 175.85 1ssa h ASP 38 N 0.00 0.80 -4.56 4.39 5.19 -1.91 -3.47 116.42 116.86 1ssa h ASP 38 Ca 0.00 -0.45 -0.37 0.00 -0.62 0.00 0.00 57.03 55.58 1ssa h ASP 38 Cb 0.00 -0.22 -0.14 0.00 0.18 0.00 0.00 39.33 39.14 1ssa h ASP 38 CO 0.00 1.08 -0.59 0.00 -3.12 0.00 0.00 179.24 176.61 1ssa s ARG 39 N -4.43 1.48 -0.38 3.56 1.70 -1.26 -5.05 118.95 114.56 1ssa s ARG 39 Ca -0.12 -1.82 -0.20 0.00 -0.47 0.00 0.00 55.73 53.12 1ssa s ARG 39 Cb 0.09 -0.21 0.01 0.00 -0.57 0.00 0.00 34.95 34.27 1ssa s ARG 39 CO 0.84 -0.35 0.61 0.00 -1.08 0.00 0.00 175.30 175.31 1ssa s LYS 41 N 2.66 4.22 0.20 0.00 2.20 -0.93 -4.90 119.74 123.19 1ssa s LYS 41 Ca 0.22 2.08 -0.11 0.00 -0.36 0.00 0.00 55.97 57.80 1ssa s LYS 41 Cb -0.15 -3.80 0.13 0.00 -1.51 0.00 0.00 37.83 32.51 1ssa s LYS 41 CO 0.16 -0.74 1.87 -1.35 -0.36 0.00 0.00 175.35 174.92 1ssa h PRO 42 N 8.76 0.89 -3.61 4.03 0.11 -1.95 -3.45 132.00 136.78 1ssa h PRO 42 Ca -0.38 -0.05 -0.20 0.00 0.11 0.00 0.00 66.00 65.48 1ssa h PRO 42 Cb 1.17 -0.20 -0.26 0.00 0.11 0.00 0.00 31.00 31.82 1ssa h PRO 42 CO 0.94 0.59 -0.63 0.08 -0.21 0.00 0.00 178.00 178.77 1ssa s VAL 43 N -6.14 0.02 0.04 3.15 1.01 -1.26 -0.99 120.40 116.24 1ssa s VAL 43 Ca -0.13 -0.20 -0.25 0.00 0.00 0.00 0.00 61.98 61.40 1ssa s VAL 43 Cb 0.14 -0.17 0.06 0.00 0.00 0.00 0.00 36.38 36.41 1ssa s VAL 43 CO 0.77 -0.11 0.57 0.21 0.00 0.00 0.00 175.10 176.54 1ssa s ASN 44 N -0.33 -0.52 -0.04 3.32 2.47 -0.45 -5.03 114.94 114.36 1ssa s ASN 44 Ca -0.04 0.28 0.04 0.00 0.42 0.00 0.00 52.86 53.56 1ssa s ASN 44 Cb -0.03 0.52 -0.00 0.00 -1.45 0.00 0.00 41.25 40.30 1ssa s ASN 44 CO 0.00 -0.74 -0.16 -0.89 -3.72 0.00 0.00 177.10 171.59 1ssa s THR 45 N -2.38 1.34 -0.06 -5.21 2.01 -1.26 -0.89 115.64 109.19 1ssa s THR 45 Ca -0.06 -0.67 0.04 0.00 0.31 0.00 0.00 61.69 61.32 1ssa s THR 45 Cb -0.01 -1.15 -0.02 0.00 0.01 0.00 0.00 72.50 71.33 1ssa s THR 45 CO -0.01 0.39 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.78 1ssa s PHE 46 N 0.06 2.65 -0.19 4.92 0.40 -0.40 -4.39 117.98 121.04 1ssa s PHE 46 Ca -0.04 -0.33 -0.04 0.00 -0.60 0.00 0.00 56.93 55.92 1ssa s PHE 46 Cb -0.11 -1.65 -0.02 0.00 0.51 0.00 0.00 43.02 41.75 1ssa s PHE 46 CO 0.02 0.05 -0.03 0.08 0.70 0.00 0.00 175.22 176.03 1ssa s VAL 47 N -0.47 3.70 -1.00 -0.44 1.01 0.02 0.93 120.40 124.15 1ssa s VAL 47 Ca 0.06 -0.41 -0.03 0.00 0.00 0.00 0.00 61.98 61.60 1ssa s VAL 47 Cb -0.12 -2.65 0.28 0.00 0.00 0.00 0.00 36.38 33.90 1ssa s VAL 47 CO 0.02 0.45 1.20 1.41 0.00 0.00 0.00 175.10 178.18 1ssa n HIS 48 N 4.11 3.36 -3.86 5.22 -0.00 -0.18 -0.45 115.22 123.42 1ssa n HIS 48 Ca -0.18 -3.31 -0.10 0.00 -0.00 0.00 0.00 57.72 54.14 1ssa n HIS 48 Cb 0.52 -1.23 -0.06 0.00 -0.00 0.00 0.00 29.99 29.22 1ssa n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1ssa s GLU 49 N -2.25 1.17 0.76 -0.41 0.41 -1.26 -4.46 118.70 112.66 1ssa s GLU 49 Ca 0.32 -1.02 -0.13 0.00 -0.41 0.00 0.00 54.97 53.72 1ssa s GLU 49 Cb 0.02 0.42 0.05 0.00 -1.78 0.00 0.00 34.13 32.84 1ssa s GLU 49 CO 0.02 -0.44 1.15 -1.54 -0.49 0.00 0.00 175.26 173.95 1ssa s SER 50 N -2.91 4.23 0.26 -0.19 1.04 -1.26 -4.25 113.70 110.61 1ssa s SER 50 Ca 0.12 2.13 -0.03 0.00 0.48 0.00 0.00 55.95 58.65 1ssa s SER 50 Cb 0.02 -2.56 0.33 0.00 0.10 0.00 0.00 66.02 63.91 1ssa s SER 50 CO -0.03 -2.23 1.79 0.25 0.98 0.00 0.00 173.24 174.00 1ssa h LEU 51 N -0.70 0.82 -0.13 2.42 5.85 -1.98 -1.85 115.31 119.75 1ssa h LEU 51 Ca -0.46 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.10 1ssa h LEU 51 Cb 1.26 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 1ssa h LEU 51 CO 0.49 0.83 0.08 0.00 -0.34 0.00 0.00 178.44 179.50 1ssa h ALA 52 N 1.28 0.16 -0.37 1.25 0.00 -1.98 0.14 119.26 119.74 1ssa h ALA 52 Ca 0.18 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1ssa h ALA 52 Cb 0.35 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1ssa h ALA 52 CO 0.01 -0.33 0.17 -0.44 0.00 0.00 0.00 179.25 178.66 1ssa h ASP 53 N 0.15 0.45 0.09 0.00 3.32 -1.79 -1.07 116.42 117.56 1ssa h ASP 53 Ca 0.05 -0.03 -0.24 0.00 0.02 0.00 0.00 57.03 56.82 1ssa h ASP 53 Cb 0.02 -0.11 0.01 0.00 0.22 0.00 0.00 39.33 39.47 1ssa h ASP 53 CO -0.01 0.39 -0.96 0.58 -1.72 0.00 0.00 179.24 177.52 1ssa h VAL 54 N 0.51 1.32 -0.29 -1.35 2.07 -0.54 -3.18 116.25 114.78 1ssa h VAL 54 Ca 0.13 -2.25 -0.10 0.00 0.82 0.00 0.00 66.70 65.30 1ssa h VAL 54 Cb 0.06 2.31 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 1ssa h VAL 54 CO -0.02 0.69 -0.24 1.56 0.02 0.00 0.00 177.57 179.58 1ssa h GLN 55 N 0.37 0.56 -0.27 1.57 4.20 -0.42 -2.79 115.11 118.33 1ssa h GLN 55 Ca -0.10 -0.22 0.08 0.00 0.06 0.00 0.00 58.65 58.47 1ssa h GLN 55 Cb 1.60 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.34 1ssa h GLN 55 CO 0.18 0.76 0.22 0.00 -0.67 0.00 0.00 178.83 179.32 1ssa h ALA 56 N 1.24 2.12 -0.15 3.87 0.00 -1.18 -2.11 119.26 123.05 1ssa h ALA 56 Ca 0.07 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1ssa h ALA 56 Cb 0.69 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1ssa h ALA 56 CO 0.05 -0.35 0.12 0.28 0.00 0.00 0.00 179.25 179.35 1ssa h VAL 57 N 0.00 0.78 0.00 0.00 2.07 -1.52 0.13 116.25 117.71 1ssa h VAL 57 Ca 0.13 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.65 1ssa h VAL 57 Cb 0.56 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1ssa h VAL 57 CO -0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 1ssa n SER 59 N -1.33 2.21 0.00 0.00 3.41 0.46 -4.97 113.62 113.40 1ssa n SER 59 Ca 0.03 -3.46 0.00 0.00 -0.26 0.00 0.00 58.87 55.18 1ssa n SER 59 Cb 0.07 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.52 1ssa n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ssa n GLN 60 N -1.23 2.65 -2.39 4.33 6.02 -0.35 -5.02 117.38 121.39 1ssa n GLN 60 Ca 0.19 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.75 1ssa n GLN 60 Cb 0.71 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.94 1ssa n GLN 60 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1ssa s LYS 61 N 4.88 4.06 0.12 -1.09 1.02 -0.78 -4.82 119.74 123.13 1ssa s LYS 61 Ca 0.00 1.49 -0.31 0.00 0.02 0.00 0.00 55.97 57.18 1ssa s LYS 61 Cb 0.00 -3.84 -0.07 0.00 -0.52 0.00 0.00 37.83 33.40 1ssa s LYS 61 CO 0.00 -0.93 1.29 1.21 -0.92 0.00 0.00 175.35 176.00 1ssa s ASN 62 N 2.51 6.95 0.18 2.83 3.04 -1.26 -0.19 114.94 129.01 1ssa s ASN 62 Ca 0.57 2.23 -0.06 0.00 0.04 0.00 0.00 52.86 55.63 1ssa s ASN 62 Cb -0.20 -2.59 -0.02 0.00 -1.54 0.00 0.00 41.25 36.90 1ssa s ASN 62 CO 0.20 -0.53 0.24 0.68 -3.04 0.00 0.00 177.10 174.64 1ssa s VAL 63 N 0.75 0.05 0.48 -5.21 -7.23 -0.05 -4.91 120.40 104.28 1ssa s VAL 63 Ca 0.60 -1.62 -0.20 0.00 -1.81 0.00 0.00 61.98 58.95 1ssa s VAL 63 Cb -0.34 -2.08 -0.09 0.00 0.56 0.00 0.00 36.38 34.44 1ssa s VAL 63 CO 0.32 -0.22 1.01 0.00 -0.31 0.00 0.00 175.10 175.90 1ssa s ALA 64 N -4.03 2.92 0.51 1.32 0.00 -1.26 -3.27 121.76 117.95 1ssa s ALA 64 Ca 0.24 0.50 -0.04 0.00 0.00 0.00 0.00 51.96 52.66 1ssa s ALA 64 Cb 0.04 -3.21 -0.01 0.00 0.00 0.00 0.00 23.12 19.94 1ssa s ALA 64 CO 0.04 -0.22 0.79 0.00 0.00 0.00 0.00 175.76 176.37 1ssa h LYS 66 N 0.15 0.00 -0.01 0.00 3.64 -1.97 -1.26 116.57 117.12 1ssa h LYS 66 Ca -0.46 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1ssa h LYS 66 Cb 1.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1ssa h LYS 66 CO 0.60 0.13 -0.01 0.27 -2.27 0.00 0.00 179.45 178.17 1ssa n ASN 67 N -3.80 0.71 0.00 4.20 6.94 -1.26 -4.90 115.26 117.15 1ssa n ASN 67 Ca -0.02 -1.18 0.00 0.00 -0.02 0.00 0.00 54.58 53.36 1ssa n ASN 67 Cb 0.23 -0.01 0.00 0.00 -2.36 0.00 0.00 39.78 37.64 1ssa n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ssa n GLY 68 N 1.10 1.76 3.73 4.83 0.00 -0.48 -5.05 105.19 111.09 1ssa n GLY 68 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 1ssa n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ssa s GLN 69 N -0.61 2.00 -0.03 1.61 -0.21 -1.26 -4.66 119.66 116.49 1ssa s GLN 69 Ca 0.00 1.52 0.17 0.00 0.02 0.00 0.00 55.36 57.08 1ssa s GLN 69 Cb 0.00 -1.84 0.54 0.00 1.00 0.00 0.00 33.01 32.71 1ssa s GLN 69 CO 0.00 -1.89 1.46 -2.37 -2.12 0.00 0.00 175.29 170.36 1ssa n THR 70 N -3.21 1.25 -1.09 -0.19 5.66 -1.26 -0.65 114.28 114.79 1ssa n THR 70 Ca 0.12 -1.09 -0.23 0.00 -3.05 0.00 0.00 64.05 59.79 1ssa n THR 70 Cb 0.52 0.38 0.16 0.00 -1.55 0.00 0.00 70.33 69.84 1ssa n THR 70 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1ssa n ASN 71 N 1.04 3.86 -4.90 1.09 2.04 -1.26 -4.71 115.26 112.42 1ssa n ASN 71 Ca 0.20 -3.51 -0.32 0.00 -0.44 0.00 0.00 54.58 50.51 1ssa n ASN 71 Cb 0.63 -0.82 -0.05 0.00 -2.53 0.00 0.00 39.78 37.01 1ssa n ASN 71 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1ssa s TYR 73 N -1.39 0.66 -0.15 0.00 1.51 0.42 -0.87 117.35 117.53 1ssa s TYR 73 Ca 0.30 -0.15 -0.07 0.00 -1.01 0.00 0.00 57.07 56.14 1ssa s TYR 73 Cb -0.13 -0.51 -0.04 0.00 -0.11 0.00 0.00 41.96 41.17 1ssa s TYR 73 CO 0.22 -0.09 0.07 -1.14 -1.11 0.00 0.00 175.55 173.50 1ssa s GLN 74 N 0.36 3.70 0.46 -0.62 0.74 0.74 -1.72 119.66 123.31 1ssa s GLN 74 Ca -0.05 -0.29 -0.23 0.00 0.05 0.00 0.00 55.36 54.84 1ssa s GLN 74 Cb -0.08 -3.15 -0.07 0.00 1.10 0.00 0.00 33.01 30.80 1ssa s GLN 74 CO -0.00 0.47 1.20 -1.54 -0.55 0.00 0.00 175.29 174.87 1ssa s SER 75 N -0.18 6.11 0.17 6.67 1.04 -0.31 -1.87 113.70 125.34 1ssa s SER 75 Ca 0.08 2.40 -0.08 0.00 0.48 0.00 0.00 55.95 58.83 1ssa s SER 75 Cb -0.12 -2.61 0.04 0.00 0.10 0.00 0.00 66.02 63.43 1ssa s SER 75 CO 0.01 -0.96 1.51 1.88 0.98 0.00 0.00 173.24 176.66 1ssa h TYR 76 N 2.10 1.00 -1.70 5.02 0.05 -1.95 -3.44 116.97 118.05 1ssa h TYR 76 Ca -0.49 -0.29 -0.52 0.00 0.05 0.00 0.00 58.73 57.47 1ssa h TYR 76 Cb 1.25 -0.21 -0.05 0.00 1.01 0.00 0.00 36.73 38.72 1ssa h TYR 76 CO 0.53 1.08 -0.46 -1.54 -1.05 0.00 0.00 178.16 176.72 1ssa s SER 77 N -6.84 4.88 0.41 3.88 1.04 -1.26 -5.08 113.70 110.74 1ssa s SER 77 Ca -0.10 -0.76 -0.22 0.00 0.48 0.00 0.00 55.95 55.35 1ssa s SER 77 Cb 0.12 -0.69 -0.10 0.00 0.10 0.00 0.00 66.02 65.45 1ssa s SER 77 CO 0.87 -0.47 0.99 0.42 0.98 0.00 0.00 173.24 176.02 1ssa s THR 78 N -2.45 4.11 0.07 2.02 -4.23 -1.26 -4.53 115.64 109.38 1ssa s THR 78 Ca 0.42 1.45 0.07 0.00 -1.18 0.00 0.00 61.69 62.45 1ssa s THR 78 Cb -0.02 -3.67 -0.03 0.00 1.34 0.00 0.00 72.50 70.12 1ssa s THR 78 CO 0.25 -0.15 -0.18 -0.04 -0.54 0.00 0.00 174.62 173.97 1ssa s MET 79 N -2.84 1.04 -0.15 3.99 -1.94 0.73 -4.83 119.30 115.30 1ssa s MET 79 Ca 0.60 -0.99 -0.29 0.00 -1.71 0.00 0.00 55.69 53.30 1ssa s MET 79 Cb -0.15 -1.16 -0.03 0.00 2.01 0.00 0.00 34.83 35.50 1ssa s MET 79 CO 0.19 0.27 1.47 0.45 -0.01 0.00 0.00 175.02 177.40 1ssa s SER 80 N -1.59 6.71 0.09 3.03 0.15 -1.26 -0.39 113.70 120.43 1ssa s SER 80 Ca 0.03 1.82 0.01 0.00 0.70 0.00 0.00 55.95 58.51 1ssa s SER 80 Cb -0.09 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.64 1ssa s SER 80 CO 0.03 -0.95 -0.06 0.27 1.20 0.00 0.00 173.24 173.73 1ssa s ILE 81 N 4.12 0.61 -0.09 6.45 -5.25 -0.40 -1.01 121.20 125.62 1ssa s ILE 81 Ca 0.65 -1.83 0.01 0.00 -0.99 0.00 0.00 60.65 58.48 1ssa s ILE 81 Cb -0.26 -1.55 0.02 0.00 2.95 0.00 0.00 42.46 43.62 1ssa s ILE 81 CO 0.23 -0.84 -0.09 -0.89 -1.79 0.00 0.00 174.94 171.56 1ssa s THR 82 N -3.44 1.00 -0.16 8.37 2.01 0.26 -1.87 115.64 121.81 1ssa s THR 82 Ca 0.09 -0.32 -0.14 0.00 0.31 0.00 0.00 61.69 61.62 1ssa s THR 82 Cb 0.04 -0.99 -0.05 0.00 0.01 0.00 0.00 72.50 71.51 1ssa s THR 82 CO -0.05 0.35 0.31 -1.81 -0.69 0.00 0.00 174.62 172.73 1ssa s ASP 83 N 1.33 6.45 -0.20 3.53 1.11 0.47 -1.28 116.67 128.07 1ssa s ASP 83 Ca -0.02 0.52 -0.02 0.00 0.18 0.00 0.00 52.55 53.21 1ssa s ASP 83 Cb -0.14 -2.19 0.00 0.00 1.07 0.00 0.00 42.92 41.66 1ssa s ASP 83 CO -0.04 0.08 -0.10 0.00 1.18 0.00 0.00 175.17 176.29 1ssa s ARG 85 N 1.39 1.01 0.12 0.00 3.52 -0.76 -1.35 118.95 122.88 1ssa s ARG 85 Ca 0.05 -0.15 -0.31 0.00 -0.13 0.00 0.00 55.73 55.19 1ssa s ARG 85 Cb -0.14 -0.98 -0.10 0.00 -1.56 0.00 0.00 34.95 32.17 1ssa s ARG 85 CO -0.07 -0.08 1.75 -2.00 -0.81 0.00 0.00 175.30 174.09 1ssa s GLU 86 N 0.97 4.16 0.85 5.12 2.12 -0.16 -0.20 118.70 131.55 1ssa s GLU 86 Ca -0.10 2.51 -0.11 0.00 0.36 0.00 0.00 54.97 57.63 1ssa s GLU 86 Cb -0.14 -3.50 0.10 0.00 0.26 0.00 0.00 34.13 30.85 1ssa s GLU 86 CO 0.00 -0.78 1.09 0.95 -0.54 0.00 0.00 175.26 175.98 1ssa s THR 87 N 2.40 2.90 0.07 -1.70 -4.23 -0.94 -4.90 115.64 109.25 1ssa s THR 87 Ca 0.77 0.29 0.27 0.00 -1.18 0.00 0.00 61.69 61.85 1ssa s THR 87 Cb -0.45 -2.76 0.30 0.00 1.34 0.00 0.00 72.50 70.93 1ssa s THR 87 CO 0.34 -0.38 1.86 1.23 -0.54 0.00 0.00 174.62 177.13 1ssa h GLY 88 N -1.40 0.00 0.64 3.99 0.00 -1.94 -3.29 103.07 101.07 1ssa h GLY 88 Ca -0.47 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.50 1ssa h GLY 88 CO 0.53 0.00 -1.93 1.48 0.00 0.00 0.00 176.54 176.62 1ssa h SER 89 N 0.00 0.43 -0.40 0.19 4.64 -1.95 -3.48 113.55 112.99 1ssa h SER 89 Ca -0.00 -0.94 -0.30 0.00 -0.47 0.00 0.00 61.79 60.08 1ssa h SER 89 Cb 0.69 -0.14 0.03 0.00 -0.31 0.00 0.00 62.40 62.66 1ssa h SER 89 CO 0.02 1.84 -0.05 -0.24 -0.87 0.00 0.00 176.83 177.52 1ssa n SER 90 N -3.54 -0.16 -3.79 4.97 2.88 -1.24 -4.95 113.62 107.78 1ssa n SER 90 Ca -0.31 0.45 -0.13 0.00 -1.33 0.00 0.00 58.87 57.56 1ssa n SER 90 Cb 1.04 -0.37 -0.12 0.00 -0.75 0.00 0.00 64.21 64.01 1ssa n SER 90 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1ssa s LYS 91 N -0.13 0.25 0.34 -1.46 2.20 -0.32 -4.89 119.74 115.74 1ssa s LYS 91 Ca 0.33 0.32 -0.29 0.00 -0.36 0.00 0.00 55.97 55.96 1ssa s LYS 91 Cb -0.46 0.11 -0.11 0.00 -1.51 0.00 0.00 37.83 35.86 1ssa s LYS 91 CO 0.22 -0.04 1.49 -0.47 -0.36 0.00 0.00 175.35 176.19 1ssa s TYR 92 N 0.19 2.72 -1.61 4.03 5.04 -1.26 0.29 117.35 126.74 1ssa s TYR 92 Ca -0.01 1.09 0.14 0.00 -2.44 0.00 0.00 57.07 55.86 1ssa s TYR 92 Cb -0.02 -3.97 0.47 0.00 0.35 0.00 0.00 41.96 38.79 1ssa s TYR 92 CO -0.00 -2.97 1.36 -0.35 -1.34 0.00 0.00 175.55 172.25 1ssa n PRO 93 N 1.08 2.54 -3.01 4.97 -0.04 -1.26 -4.99 135.00 134.28 1ssa n PRO 93 Ca 0.03 -1.89 -0.44 0.00 -0.04 0.00 0.00 63.50 61.16 1ssa n PRO 93 Cb 0.39 -1.55 -0.01 0.00 -0.04 0.00 0.00 33.50 32.29 1ssa n PRO 93 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1ssa s ASN 94 N -0.88 6.92 -0.31 3.54 0.02 0.83 -4.99 114.94 120.07 1ssa s ASN 94 Ca 0.34 -2.70 -0.24 0.00 -1.02 0.00 0.00 52.86 49.25 1ssa s ASN 94 Cb 0.20 -2.36 0.00 0.00 0.02 0.00 0.00 41.25 39.11 1ssa s ASN 94 CO 0.20 -0.79 0.80 0.00 0.02 0.00 0.00 177.10 177.32 1ssa s ALA 96 N 2.98 2.88 0.05 0.00 0.00 -1.26 -4.90 121.76 121.52 1ssa s ALA 96 Ca 0.33 -0.86 0.04 0.00 0.00 0.00 0.00 51.96 51.47 1ssa s ALA 96 Cb -0.14 -1.34 -0.03 0.00 0.00 0.00 0.00 23.12 21.61 1ssa s ALA 96 CO 0.13 0.35 -0.13 0.71 0.00 0.00 0.00 175.76 176.82 1ssa s TYR 97 N -0.05 1.08 0.01 0.00 2.02 -1.26 -2.21 117.35 116.95 1ssa s TYR 97 Ca -0.00 -0.42 -0.13 0.00 -0.37 0.00 0.00 57.07 56.15 1ssa s TYR 97 Cb -0.13 -0.62 -0.06 0.00 -0.40 0.00 0.00 41.96 40.74 1ssa s TYR 97 CO 0.03 0.02 0.38 0.15 -1.57 0.00 0.00 175.55 174.57 1ssa s LYS 98 N -1.48 3.83 -0.08 -0.62 -0.14 0.73 -4.68 119.74 117.30 1ssa s LYS 98 Ca -0.02 0.30 0.04 0.00 -1.36 0.00 0.00 55.97 54.93 1ssa s LYS 98 Cb -0.09 -3.16 -0.01 0.00 -1.68 0.00 0.00 37.83 32.89 1ssa s LYS 98 CO 0.02 0.66 -0.21 -0.08 -0.76 0.00 0.00 175.35 174.97 1ssa s THR 99 N -1.16 2.35 -0.12 2.17 -1.32 -1.26 -1.83 115.64 114.46 1ssa s THR 99 Ca 0.26 -0.95 -0.01 0.00 -1.21 0.00 0.00 61.69 59.78 1ssa s THR 99 Cb -0.16 -1.90 0.03 0.00 -1.51 0.00 0.00 72.50 68.97 1ssa s THR 99 CO 0.14 0.56 -0.07 -0.89 -2.21 0.00 0.00 174.62 172.16 1ssa s THR 100 N -0.05 0.99 -0.06 5.08 2.01 -0.52 -4.98 115.64 118.11 1ssa s THR 100 Ca -0.06 -0.33 -0.11 0.00 0.31 0.00 0.00 61.69 61.50 1ssa s THR 100 Cb -0.15 -1.06 -0.05 0.00 0.01 0.00 0.00 72.50 71.26 1ssa s THR 100 CO 0.05 0.31 0.29 -1.58 -0.69 0.00 0.00 174.62 172.99 1ssa s GLN 101 N 1.71 3.72 0.20 4.92 2.00 -1.26 -0.40 119.66 130.55 1ssa s GLN 101 Ca 0.04 0.17 -0.23 0.00 -2.00 0.00 0.00 55.36 53.34 1ssa s GLN 101 Cb -0.13 -3.21 0.05 0.00 0.80 0.00 0.00 33.01 30.52 1ssa s GLN 101 CO -0.08 0.72 0.69 0.00 -0.50 0.00 0.00 175.29 176.12 1ssa s ALA 102 N -1.02 -1.46 -0.27 1.58 0.00 -0.78 -5.00 121.76 114.81 1ssa s ALA 102 Ca 0.20 0.16 -0.02 0.00 0.00 0.00 0.00 51.96 52.30 1ssa s ALA 102 Cb -0.15 0.83 0.03 0.00 0.00 0.00 0.00 23.12 23.83 1ssa s ALA 102 CO 0.09 -0.90 -0.03 -0.80 0.00 0.00 0.00 175.76 174.12 1ssa s ASN 103 N -2.82 4.55 0.24 0.00 0.01 -1.26 -1.27 114.94 114.40 1ssa s ASN 103 Ca 0.06 -1.00 -0.01 0.00 -0.71 0.00 0.00 52.86 51.20 1ssa s ASN 103 Cb -0.03 -1.69 -0.03 0.00 0.41 0.00 0.00 41.25 39.91 1ssa s ASN 103 CO -0.03 -0.18 0.23 -0.54 -1.51 0.00 0.00 177.10 175.07 1ssa s LYS 104 N 1.31 1.40 0.08 -0.60 1.02 0.48 -4.73 119.74 118.70 1ssa s LYS 104 Ca -0.02 -1.67 -0.20 0.00 0.02 0.00 0.00 55.97 54.10 1ssa s LYS 104 Cb -0.18 0.32 -0.07 0.00 -0.52 0.00 0.00 37.83 37.38 1ssa s LYS 104 CO -0.03 -0.50 0.61 -1.01 -0.92 0.00 0.00 175.35 173.50 1ssa s HIS 105 N -3.92 3.82 0.09 3.18 3.76 -1.26 0.26 115.29 121.22 1ssa s HIS 105 Ca 0.37 1.33 0.05 0.00 -0.15 0.00 0.00 55.06 56.66 1ssa s HIS 105 Cb 0.05 -2.55 -0.04 0.00 1.11 0.00 0.00 32.58 31.15 1ssa s HIS 105 CO 0.15 0.56 -0.01 0.96 -0.85 0.00 0.00 174.74 175.55 1ssa s ILE 106 N -1.06 3.93 -0.18 0.60 -4.36 -1.26 -4.93 121.20 113.94 1ssa s ILE 106 Ca 0.30 -1.03 0.01 0.00 -0.26 0.00 0.00 60.65 59.67 1ssa s ILE 106 Cb -0.20 -2.87 0.03 0.00 1.25 0.00 0.00 42.46 40.67 1ssa s ILE 106 CO 0.20 0.12 -0.14 -0.63 0.24 0.00 0.00 174.94 174.72 1ssa s ILE 107 N -1.30 1.78 0.19 8.37 1.09 -1.26 -1.16 121.20 128.90 1ssa s ILE 107 Ca 0.25 -0.91 0.11 0.00 -1.10 0.00 0.00 60.65 59.00 1ssa s ILE 107 Cb -0.12 -1.72 -0.04 0.00 -1.06 0.00 0.00 42.46 39.52 1ssa s ILE 107 CO 0.18 0.36 -0.21 0.68 -0.10 0.00 0.00 174.94 175.84 1ssa s VAL 108 N 1.38 2.53 -0.19 2.92 -7.23 -0.70 -4.92 120.40 114.18 1ssa s VAL 108 Ca 0.02 -1.95 -0.10 0.00 -1.81 0.00 0.00 61.98 58.15 1ssa s VAL 108 Cb -0.14 -2.22 -0.05 0.00 0.56 0.00 0.00 36.38 34.53 1ssa s VAL 108 CO -0.10 -0.11 0.12 0.00 -0.31 0.00 0.00 175.10 174.70 1ssa s ALA 109 N -1.67 3.68 0.05 1.32 0.00 -1.26 -0.43 121.76 123.45 1ssa s ALA 109 Ca 0.21 -0.69 0.05 0.00 0.00 0.00 0.00 51.96 51.54 1ssa s ALA 109 Cb -0.08 -2.13 -0.04 0.00 0.00 0.00 0.00 23.12 20.87 1ssa s ALA 109 CO 0.11 0.19 -0.10 0.00 0.00 0.00 0.00 175.76 175.96 1ssa s GLU 111 N -1.73 0.77 0.40 0.00 2.02 -1.26 -4.93 118.70 113.97 1ssa s GLU 111 Ca 0.18 -1.07 -0.25 0.00 0.02 0.00 0.00 54.97 53.86 1ssa s GLU 111 Cb -0.11 0.29 -0.11 0.00 0.10 0.00 0.00 34.13 34.30 1ssa s GLU 111 CO 0.10 -0.22 1.01 0.41 0.02 0.00 0.00 175.26 176.58 1ssa n GLY 112 N -0.01 -0.23 0.00 -1.39 0.00 -1.26 -5.11 105.19 97.19 1ssa n GLY 112 Ca -0.14 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1ssa n GLY 112 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31