#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p89 h ASN 26 N 0.00 0.00 -0.64 6.43 7.08 -1.91 -3.07 115.58 123.48 1p89 h ASN 26 Ca 0.00 0.00 -0.08 0.00 -3.08 0.00 0.00 56.30 53.14 1p89 h ASN 26 Cb 0.00 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 36.22 1p89 h ASN 26 CO 0.00 0.23 0.07 0.03 -2.08 0.00 0.00 177.43 175.68 1p89 h ARG 27 N 0.00 1.08 0.13 4.14 3.08 -1.99 -1.52 114.38 119.30 1p89 h ARG 27 Ca -0.01 -0.31 -0.28 0.00 0.07 0.00 0.00 59.98 59.45 1p89 h ARG 27 Cb 1.19 -0.12 0.01 0.00 0.08 0.00 0.00 29.97 31.13 1p89 h ARG 27 CO 0.03 1.02 -1.23 0.00 -1.07 0.00 0.00 179.97 178.71 1p89 h ALA 28 N 1.02 0.09 0.16 0.04 0.00 -1.98 -2.17 119.26 116.42 1p89 h ALA 28 Ca 0.19 -0.84 -0.01 0.00 0.00 0.00 0.00 54.91 54.25 1p89 h ALA 28 Cb 0.49 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1p89 h ALA 28 CO 0.02 0.87 -0.08 -0.07 0.00 0.00 0.00 179.25 179.99 1p89 h LEU 29 N 0.13 -0.19 -0.25 0.00 3.38 -1.43 0.22 115.31 117.17 1p89 h LEU 29 Ca -0.15 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.70 1p89 h LEU 29 Cb 1.93 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 42.73 1p89 h LEU 29 CO 0.21 -0.12 -0.28 0.25 0.09 0.00 0.00 178.44 178.60 1p89 h LEU 30 N -0.24 0.68 -1.34 1.67 5.85 -1.39 -2.19 115.31 118.36 1p89 h LEU 30 Ca -0.02 -0.49 -0.01 0.00 0.84 0.00 0.00 57.88 58.20 1p89 h LEU 30 Cb 0.18 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 1p89 h LEU 30 CO 0.04 1.03 0.31 -0.07 -0.34 0.00 0.00 178.44 179.41 1p89 h LEU 31 N 0.35 0.68 -0.89 2.25 3.38 -1.30 -1.30 115.31 118.47 1p89 h LEU 31 Ca 0.04 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 1p89 h LEU 31 Cb 0.85 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1p89 h LEU 31 CO 0.07 0.54 -0.55 0.00 0.09 0.00 0.00 178.44 178.59 1p89 h ALA 32 N 1.57 1.09 -0.02 1.53 0.00 -0.46 -2.52 119.26 120.44 1p89 h ALA 32 Ca 0.20 -0.50 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 1p89 h ALA 32 Cb 0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1p89 h ALA 32 CO -0.03 0.69 -0.50 0.00 0.00 0.00 0.00 179.25 179.41 1p89 h ALA 33 N 1.45 1.13 0.00 0.00 0.00 -0.59 -2.78 119.26 118.46 1p89 h ALA 33 Ca -0.01 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1p89 h ALA 33 Cb 0.98 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1p89 h ALA 33 CO 0.07 0.63 -0.53 1.28 0.00 0.00 0.00 179.25 180.70 1p89 n LEU 34 N -3.95 0.53 -4.90 0.00 4.77 -0.96 0.21 117.00 112.70 1p89 n LEU 34 Ca -0.02 0.07 -0.29 0.00 -0.03 0.00 0.00 56.01 55.75 1p89 n LEU 34 Cb 0.52 -0.24 0.05 0.00 -2.33 0.00 0.00 43.42 41.42 1p89 n LEU 34 CO 0.41 0.08 0.67 0.00 -1.33 0.00 0.00 177.39 177.22 1p89 s ALA 35 N -3.05 3.02 -0.59 -1.18 0.00 -0.97 -3.37 121.76 115.63 1p89 s ALA 35 Ca 0.10 -0.53 -0.16 0.00 0.00 0.00 0.00 51.96 51.36 1p89 s ALA 35 Cb 0.17 -2.85 0.14 0.00 0.00 0.00 0.00 23.12 20.57 1p89 s ALA 35 CO 0.70 -1.10 0.57 -1.01 0.00 0.00 0.00 175.76 174.93 1p89 s HIS 36 N -3.25 3.27 0.00 0.00 3.76 0.87 -0.77 115.29 119.17 1p89 s HIS 36 Ca 0.57 -1.33 0.00 0.00 -0.15 0.00 0.00 55.06 54.16 1p89 s HIS 36 Cb -0.11 -3.84 0.00 0.00 1.11 0.00 0.00 32.58 29.74 1p89 s HIS 36 CO 0.49 -1.06 0.00 0.41 -0.85 0.00 0.00 174.74 173.72 1p89 n GLY 37 N 5.10 3.35 3.73 -2.22 0.00 -1.24 -2.44 105.19 111.48 1p89 n GLY 37 Ca -0.09 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 1p89 n GLY 37 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1p89 s LYS 38 N -4.85 4.18 0.11 1.61 2.20 -1.25 -2.68 119.74 119.07 1p89 s LYS 38 Ca 0.00 2.46 0.07 0.00 -0.36 0.00 0.00 55.97 58.14 1p89 s LYS 38 Cb 0.00 -3.09 -0.04 0.00 -1.51 0.00 0.00 37.83 33.20 1p89 s LYS 38 CO 0.00 -0.60 -0.16 0.99 -0.36 0.00 0.00 175.35 175.22 1p89 s THR 39 N 0.51 1.42 -0.09 3.43 2.01 0.11 -4.66 115.64 118.37 1p89 s THR 39 Ca 0.66 -1.62 -0.06 0.00 0.31 0.00 0.00 61.69 60.99 1p89 s THR 39 Cb -0.46 -1.47 -0.04 0.00 0.01 0.00 0.00 72.50 70.54 1p89 s THR 39 CO 0.40 -0.29 0.13 -0.69 -0.69 0.00 0.00 174.62 173.48 1p89 s VAL 40 N -1.73 5.35 -0.22 3.82 1.01 0.24 0.24 120.40 129.11 1p89 s VAL 40 Ca 0.07 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.13 1p89 s VAL 40 Cb -0.07 -3.36 0.06 0.00 0.00 0.00 0.00 36.38 33.01 1p89 s VAL 40 CO 0.04 0.56 -0.05 -1.48 0.00 0.00 0.00 175.10 174.17 1p89 s LEU 41 N -1.19 2.28 0.37 3.92 2.34 0.45 0.10 118.68 126.95 1p89 s LEU 41 Ca 0.17 -1.06 0.07 0.00 0.06 0.00 0.00 54.13 53.38 1p89 s LEU 41 Cb -0.12 -1.09 -0.01 0.00 -0.56 0.00 0.00 46.19 44.41 1p89 s LEU 41 CO 0.07 -0.23 0.45 0.28 -1.06 0.00 0.00 176.35 175.86 1p89 s THR 42 N 1.47 3.54 -0.98 5.48 -1.32 0.81 0.31 115.64 124.95 1p89 s THR 42 Ca -0.04 -1.11 0.00 0.00 -1.21 0.00 0.00 61.69 59.33 1p89 s THR 42 Cb -0.18 -3.22 0.00 0.00 -1.51 0.00 0.00 72.50 67.59 1p89 s THR 42 CO -0.07 -0.10 0.00 -3.20 -2.21 0.00 0.00 174.62 169.04 1p89 n ASN 43 N -1.63 -4.20 -4.70 8.08 5.15 0.66 0.12 115.26 118.73 1p89 n ASN 43 Ca 0.02 0.23 -0.33 0.00 -0.60 0.00 0.00 54.58 53.90 1p89 n ASN 43 Cb 0.59 -2.52 0.13 0.00 -0.53 0.00 0.00 39.78 37.45 1p89 n ASN 43 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1p89 s LEU 44 N -2.10 3.11 -0.34 1.20 2.96 0.23 -4.19 118.68 119.55 1p89 s LEU 44 Ca 0.00 2.32 -0.18 0.00 -0.22 0.00 0.00 54.13 56.05 1p89 s LEU 44 Cb 0.00 -4.58 -0.01 0.00 0.50 0.00 0.00 46.19 42.10 1p89 s LEU 44 CO 0.00 -2.67 0.50 -0.22 -1.32 0.00 0.00 176.35 172.64 1p89 s LEU 45 N -5.79 4.31 -1.27 -0.68 2.96 -1.26 -4.34 118.68 112.60 1p89 s LEU 45 Ca 0.72 0.04 -0.12 0.00 -0.22 0.00 0.00 54.13 54.54 1p89 s LEU 45 Cb -0.27 -2.58 -0.06 0.00 0.50 0.00 0.00 46.19 43.78 1p89 s LEU 45 CO 0.51 -0.44 2.39 -0.67 -1.32 0.00 0.00 176.35 176.82 1p89 n ASP 46 N 5.70 5.47 0.00 3.68 -0.08 -1.22 -4.52 116.55 125.57 1p89 n ASP 46 Ca -0.05 -2.61 0.00 0.00 -1.51 0.00 0.00 54.79 50.62 1p89 n ASP 46 Cb 0.49 -1.40 0.00 0.00 2.34 0.00 0.00 41.12 42.55 1p89 n ASP 46 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1p89 n SER 47 N 5.09 1.49 0.01 1.67 2.88 -1.26 -5.06 113.62 118.44 1p89 n SER 47 Ca 0.59 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 58.21 1p89 n SER 47 Cb 0.28 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.61 1p89 n SER 47 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1p89 n ASP 48 N 0.00 0.22 0.17 -3.46 9.92 -1.26 -3.29 116.55 118.85 1p89 n ASP 48 Ca 0.00 0.09 0.03 0.00 -0.53 0.00 0.00 54.79 54.38 1p89 n ASP 48 Cb 0.00 1.50 0.26 0.00 -0.64 0.00 0.00 41.12 42.24 1p89 n ASP 48 CO 0.00 0.00 0.00 -2.24 0.13 0.00 0.00 177.20 175.09 1p89 h ASP 49 N 0.00 0.00 0.00 -2.24 2.03 -1.90 -2.84 116.42 111.47 1p89 h ASP 49 Ca -0.05 0.00 -0.16 0.00 -0.73 0.00 0.00 57.03 56.09 1p89 h ASP 49 Cb 1.13 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.60 1p89 h ASP 49 CO 0.00 0.47 -0.95 0.58 -1.03 0.00 0.00 179.24 178.31 1p89 h VAL 50 N 0.00 0.83 -0.75 4.15 2.07 -1.80 -3.23 116.25 117.53 1p89 h VAL 50 Ca -0.00 -1.96 0.22 0.00 0.82 0.00 0.00 66.70 65.77 1p89 h VAL 50 Cb 1.00 1.91 -0.03 0.00 -1.52 0.00 0.00 31.29 32.65 1p89 h VAL 50 CO 0.06 0.28 0.60 0.08 0.02 0.00 0.00 177.57 178.62 1p89 h ARG 51 N -1.00 0.00 -0.27 1.57 0.11 -1.65 1.11 114.38 114.25 1p89 h ARG 51 Ca -0.24 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 59.65 1p89 h ARG 51 Cb 1.09 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.18 1p89 h ARG 51 CO -0.15 0.00 -0.57 0.45 0.10 0.00 0.00 179.97 179.80 1p89 h HIS 52 N 0.00 1.09 0.01 4.08 3.86 -1.63 1.34 115.15 123.90 1p89 h HIS 52 Ca 0.36 -0.40 -0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1p89 h HIS 52 Cb 1.56 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 29.83 1p89 h HIS 52 CO 0.00 1.23 -0.00 1.98 0.86 0.00 0.00 177.93 182.00 1p89 h MET 53 N 0.66 -0.01 0.30 2.45 1.85 0.11 0.61 114.93 120.90 1p89 h MET 53 Ca 0.01 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.08 1p89 h MET 53 Cb 1.18 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.22 1p89 h MET 53 CO 0.13 0.12 -0.15 -0.07 -0.40 0.00 0.00 176.91 176.54 1p89 h LEU 54 N -0.14 -0.35 -2.10 3.39 3.38 -0.67 0.39 115.31 119.22 1p89 h LEU 54 Ca -0.00 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.03 1p89 h LEU 54 Cb 0.14 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1p89 h LEU 54 CO 0.00 -0.25 0.33 0.78 0.09 0.00 0.00 178.44 179.39 1p89 h ASN 55 N -0.41 0.00 -0.02 -0.43 4.21 0.20 -0.22 115.58 118.92 1p89 h ASN 55 Ca -0.04 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.42 1p89 h ASN 55 Cb 0.31 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.52 1p89 h ASN 55 CO 0.07 0.00 -0.17 0.00 -1.29 0.00 0.00 177.43 176.04 1p89 h ALA 56 N 1.50 0.04 -0.00 -0.83 0.00 0.24 -3.02 119.26 117.19 1p89 h ALA 56 Ca 0.08 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1p89 h ALA 56 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1p89 h ALA 56 CO -0.00 0.02 -0.01 -0.07 0.00 0.00 0.00 179.25 179.19 1p89 h LEU 57 N -0.49 0.01 -1.91 0.00 3.38 -0.15 -3.09 115.31 113.06 1p89 h LEU 57 Ca -0.02 -0.60 0.26 0.00 0.09 0.00 0.00 57.88 57.61 1p89 h LEU 57 Cb 0.87 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.58 1p89 h LEU 57 CO 0.03 0.61 0.65 0.00 0.09 0.00 0.00 178.44 179.83 1p89 h THR 58 N -0.59 0.55 -0.07 0.22 1.03 -1.28 0.21 112.91 112.99 1p89 h THR 58 Ca -0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 66.41 66.38 1p89 h THR 58 Cb 0.61 0.48 -0.01 0.00 -1.07 0.00 0.00 68.15 68.17 1p89 h THR 58 CO 0.00 0.01 0.03 0.00 -0.01 0.00 0.00 175.52 175.55 1p89 h ALA 59 N 1.55 0.08 0.00 0.00 0.00 -1.44 -1.35 119.26 118.10 1p89 h ALA 59 Ca 0.45 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.30 1p89 h ALA 59 Cb 1.68 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 1p89 h ALA 59 CO -0.04 -0.44 -0.32 -0.07 0.00 0.00 0.00 179.25 178.38 1p89 h LEU 60 N 0.07 0.00 0.00 0.00 4.07 -0.69 -3.46 115.31 115.30 1p89 h LEU 60 Ca 0.03 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.99 1p89 h LEU 60 Cb 0.01 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.75 1p89 h LEU 60 CO -0.02 0.32 0.00 0.61 -1.08 0.00 0.00 178.44 178.26 1p89 n GLY 61 N -0.43 -0.03 3.71 0.83 0.00 -0.23 -4.73 105.19 104.31 1p89 n GLY 61 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 1p89 n GLY 61 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1p89 n VAL 62 N 0.00 4.13 -3.79 1.61 0.31 -0.40 -4.86 118.33 115.32 1p89 n VAL 62 Ca 0.00 -0.50 -0.37 0.00 -0.01 0.00 0.00 64.34 63.46 1p89 n VAL 62 Cb 0.00 -1.50 -0.12 0.00 -0.91 0.00 0.00 33.84 31.31 1p89 n VAL 62 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1p89 s SER 63 N -1.12 5.19 0.26 4.52 0.01 -1.26 -3.79 113.70 117.51 1p89 s SER 63 Ca 0.76 -1.38 0.10 0.00 1.31 0.00 0.00 55.95 56.73 1p89 s SER 63 Cb -0.41 -1.82 -0.05 0.00 0.21 0.00 0.00 66.02 63.95 1p89 s SER 63 CO 0.46 -0.36 -0.17 -0.72 0.41 0.00 0.00 173.24 172.86 1p89 s TYR 64 N 1.31 2.07 -0.19 2.43 -0.85 -1.25 0.45 117.35 121.32 1p89 s TYR 64 Ca -0.01 -0.45 -0.05 0.00 -0.52 0.00 0.00 57.07 56.05 1p89 s TYR 64 Cb -0.21 -0.95 0.09 0.00 0.38 0.00 0.00 41.96 41.28 1p89 s TYR 64 CO 0.00 0.56 0.33 0.99 -1.52 0.00 0.00 175.55 175.91 1p89 s THR 65 N -2.71 -0.52 0.76 -3.49 2.01 -0.80 -4.88 115.64 106.00 1p89 s THR 65 Ca 0.27 0.12 -0.07 0.00 0.31 0.00 0.00 61.69 62.32 1p89 s THR 65 Cb -0.03 -0.63 0.11 0.00 0.01 0.00 0.00 72.50 71.97 1p89 s THR 65 CO 0.12 0.01 1.07 -0.76 -0.69 0.00 0.00 174.62 174.36 1p89 s LEU 66 N 2.50 2.87 0.87 4.42 2.01 -1.25 -0.32 118.68 129.77 1p89 s LEU 66 Ca 0.04 0.15 -0.10 0.00 0.01 0.00 0.00 54.13 54.23 1p89 s LEU 66 Cb -0.13 -2.58 0.18 0.00 0.01 0.00 0.00 46.19 43.66 1p89 s LEU 66 CO -0.12 -1.91 1.19 -0.55 1.01 0.00 0.00 176.35 175.97 1p89 s SER 67 N -4.66 3.56 0.30 2.29 0.15 0.99 -4.85 113.70 111.48 1p89 s SER 67 Ca 0.65 -0.05 0.22 0.00 0.70 0.00 0.00 55.95 57.48 1p89 s SER 67 Cb -0.08 -0.10 1.11 0.00 -1.71 0.00 0.00 66.02 65.24 1p89 s SER 67 CO 0.46 -2.42 1.68 0.00 1.20 0.00 0.00 173.24 174.16 1p89 n ALA 68 N -3.40 1.24 0.09 5.45 0.00 -1.26 -1.05 120.51 121.59 1p89 n ALA 68 Ca 0.16 0.16 0.02 0.00 0.00 0.00 0.00 53.44 53.78 1p89 n ALA 68 Cb 0.60 -1.34 0.03 0.00 0.00 0.00 0.00 19.45 18.73 1p89 n ALA 68 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1p89 n ASP 69 N -2.26 1.60 -3.15 0.00 9.92 -1.26 -5.00 116.55 116.41 1p89 n ASP 69 Ca -0.00 -1.40 -0.16 0.00 -0.53 0.00 0.00 54.79 52.69 1p89 n ASP 69 Cb 0.10 -0.02 0.08 0.00 -0.64 0.00 0.00 41.12 40.63 1p89 n ASP 69 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1p89 n ARG 70 N 0.10 -6.10 0.00 -1.24 1.74 -0.21 -4.67 116.66 106.28 1p89 n ARG 70 Ca 0.03 0.74 0.00 0.00 -0.77 0.00 0.00 57.85 57.85 1p89 n ARG 70 Cb 0.15 -5.45 0.00 0.00 -1.02 0.00 0.00 32.46 26.14 1p89 n ARG 70 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1p89 n THR 71 N -3.98 0.00 -3.58 0.55 -1.04 -1.26 -3.41 114.28 101.56 1p89 n THR 71 Ca -0.19 -0.32 -0.24 0.00 -2.04 0.00 0.00 64.05 61.26 1p89 n THR 71 Cb 0.62 1.26 -0.16 0.00 -1.82 0.00 0.00 70.33 70.24 1p89 n THR 71 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1p89 s ARG 72 N -0.16 0.10 0.07 -2.82 1.04 -1.25 0.24 118.95 116.17 1p89 s ARG 72 Ca 0.00 -0.02 0.07 0.00 -1.04 0.00 0.00 55.73 54.74 1p89 s ARG 72 Cb 0.00 -1.66 -0.04 0.00 -2.04 0.00 0.00 34.95 31.21 1p89 s ARG 72 CO 0.00 -0.68 -0.14 0.00 -0.04 0.00 0.00 175.30 174.45 1p89 s GLU 74 N -1.85 2.02 -0.13 0.00 2.02 0.57 0.17 118.70 121.51 1p89 s GLU 74 Ca 0.18 -1.69 -0.14 0.00 0.02 0.00 0.00 54.97 53.34 1p89 s GLU 74 Cb -0.11 -3.42 -0.05 0.00 0.10 0.00 0.00 34.13 30.65 1p89 s GLU 74 CO 0.09 -0.94 0.33 0.42 0.02 0.00 0.00 175.26 175.19 1p89 s ILE 75 N 1.13 5.26 -0.62 -1.63 1.09 0.14 -1.91 121.20 124.65 1p89 s ILE 75 Ca 0.05 0.64 -0.28 0.00 -1.10 0.00 0.00 60.65 59.96 1p89 s ILE 75 Cb -0.21 -3.66 0.03 0.00 -1.06 0.00 0.00 42.46 37.56 1p89 s ILE 75 CO -0.04 0.42 1.20 -0.63 -0.10 0.00 0.00 174.94 175.78 1p89 s ILE 76 N 0.21 3.96 -0.30 2.92 -1.09 0.17 0.07 121.20 127.14 1p89 s ILE 76 Ca 0.19 0.71 -0.36 0.00 -2.23 0.00 0.00 60.65 58.96 1p89 s ILE 76 Cb -0.14 -4.77 -0.12 0.00 -1.58 0.00 0.00 42.46 35.86 1p89 s ILE 76 CO 0.06 -1.47 2.08 0.61 -1.23 0.00 0.00 174.94 174.99 1p89 n GLY 77 N 5.16 0.69 0.24 6.18 0.00 -1.09 -4.43 105.19 111.94 1p89 n GLY 77 Ca 0.06 0.92 0.16 0.00 0.00 0.00 0.00 46.02 47.17 1p89 n GLY 77 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1p89 h ASN 78 N 11.26 0.00 0.00 1.61 4.21 0.26 -3.28 115.58 129.64 1p89 h ASN 78 Ca -0.33 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.18 1p89 h ASN 78 Cb 1.31 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.51 1p89 h ASN 78 CO 1.00 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 177.75 1p89 n GLY 79 N -1.20 3.08 0.00 2.83 0.00 0.05 -4.88 105.19 105.07 1p89 n GLY 79 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1p89 n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p89 n GLY 80 N -1.50 5.61 3.91 -0.02 0.00 -1.22 -4.62 105.19 107.35 1p89 n GLY 80 Ca 0.00 -1.00 -0.29 0.00 0.00 0.00 0.00 46.02 44.73 1p89 n GLY 80 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1p89 s PRO 81 N 4.03 1.80 -0.88 1.61 0.02 -1.26 -3.42 135.00 136.91 1p89 s PRO 81 Ca 0.00 0.00 -0.25 0.00 0.02 0.00 0.00 61.00 60.78 1p89 s PRO 81 Cb 0.00 -1.96 -0.05 0.00 0.02 0.00 0.00 34.50 32.52 1p89 s PRO 81 CO 0.00 -1.68 1.94 -0.51 -0.33 0.00 0.00 177.00 176.42 1p89 s LEU 82 N -5.59 3.18 -0.25 -5.54 2.01 -1.24 -4.89 118.68 106.35 1p89 s LEU 82 Ca 0.63 -0.61 -0.26 0.00 0.01 0.00 0.00 54.13 53.90 1p89 s LEU 82 Cb -0.10 -2.56 0.00 0.00 0.01 0.00 0.00 46.19 43.54 1p89 s LEU 82 CO 0.49 -2.72 0.91 -1.00 1.01 0.00 0.00 176.35 175.05 1p89 s HIS 83 N 10.00 3.30 -0.22 0.29 3.76 -1.26 -4.50 115.29 126.66 1p89 s HIS 83 Ca 0.70 1.23 -0.04 0.00 -0.15 0.00 0.00 55.06 56.80 1p89 s HIS 83 Cb -0.07 -3.18 0.09 0.00 1.11 0.00 0.00 32.58 30.53 1p89 s HIS 83 CO 0.01 -0.47 0.19 0.00 -0.85 0.00 0.00 174.74 173.62 1p89 s ALA 84 N 3.03 -0.01 -0.84 -1.40 0.00 -1.26 -4.76 121.76 116.52 1p89 s ALA 84 Ca 0.38 -0.18 -0.08 0.00 0.00 0.00 0.00 51.96 52.09 1p89 s ALA 84 Cb -0.15 -1.35 0.22 0.00 0.00 0.00 0.00 23.12 21.84 1p89 s ALA 84 CO 0.08 -1.35 0.75 -2.00 0.00 0.00 0.00 175.76 173.23 1p89 s GLU 85 N 2.25 3.39 0.00 0.00 2.12 -1.26 -1.38 118.70 123.82 1p89 s GLU 85 Ca 0.07 -2.76 0.00 0.00 0.36 0.00 0.00 54.97 52.64 1p89 s GLU 85 Cb -0.16 -4.19 0.00 0.00 0.26 0.00 0.00 34.13 30.05 1p89 s GLU 85 CO -0.19 -1.25 0.08 0.41 -0.54 0.00 0.00 175.26 173.77 1p89 n GLY 86 N 3.33 -0.05 3.68 -1.50 0.00 -1.26 -4.96 105.19 104.44 1p89 n GLY 86 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 1p89 n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p89 n ALA 87 N 0.00 -2.07 -2.04 4.61 0.00 -0.52 -4.93 120.51 115.56 1p89 n ALA 87 Ca -0.01 -0.16 -0.40 0.00 0.00 0.00 0.00 53.44 52.86 1p89 n ALA 87 Cb 0.14 -2.22 -0.05 0.00 0.00 0.00 0.00 19.45 17.32 1p89 n ALA 87 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1p89 s LEU 88 N -6.61 4.57 -0.12 0.00 2.96 0.27 -4.70 118.68 115.04 1p89 s LEU 88 Ca 0.05 1.81 0.01 0.00 -0.22 0.00 0.00 54.13 55.78 1p89 s LEU 88 Cb -0.01 -3.53 -0.01 0.00 0.50 0.00 0.00 46.19 43.13 1p89 s LEU 88 CO 0.81 0.06 -0.16 -0.70 -1.32 0.00 0.00 176.35 175.04 1p89 s GLU 89 N -0.60 3.30 0.16 1.98 2.12 -1.25 0.20 118.70 124.61 1p89 s GLU 89 Ca 0.43 -0.74 0.05 0.00 0.36 0.00 0.00 54.97 55.07 1p89 s GLU 89 Cb -0.24 -2.54 -0.04 0.00 0.26 0.00 0.00 34.13 31.57 1p89 s GLU 89 CO 0.30 0.20 0.13 -0.51 -0.54 0.00 0.00 175.26 174.84 1p89 s LEU 90 N 0.35 3.77 -0.28 2.70 1.43 0.38 -4.88 118.68 122.15 1p89 s LEU 90 Ca -0.13 -0.14 0.03 0.00 -1.03 0.00 0.00 54.13 52.86 1p89 s LEU 90 Cb -0.16 -2.39 0.07 0.00 0.03 0.00 0.00 46.19 43.74 1p89 s LEU 90 CO 0.07 0.07 -0.06 0.12 0.23 0.00 0.00 176.35 176.77 1p89 s PHE 91 N -1.74 3.37 -2.44 0.29 2.19 -1.25 -0.23 117.98 118.17 1p89 s PHE 91 Ca 0.31 -2.50 0.23 0.00 0.33 0.00 0.00 56.93 55.30 1p89 s PHE 91 Cb -0.10 -2.19 0.65 0.00 -1.31 0.00 0.00 43.02 40.07 1p89 s PHE 91 CO 0.23 -0.90 1.51 1.28 1.83 0.00 0.00 175.22 179.17 1p89 n LEU 92 N 4.39 2.23 0.00 6.12 7.99 0.11 -4.74 117.00 133.10 1p89 n LEU 92 Ca -0.09 -0.90 0.00 0.00 -0.01 0.00 0.00 56.01 55.01 1p89 n LEU 92 Cb 0.42 -0.12 0.00 0.00 -0.11 0.00 0.00 43.42 43.61 1p89 n LEU 92 CO 0.21 0.45 0.00 0.61 -1.51 0.00 0.00 177.39 177.15 1p89 n GLY 93 N 1.25 1.11 2.55 -0.72 0.00 -1.26 -1.81 105.19 106.32 1p89 n GLY 93 Ca 0.17 -0.40 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 1p89 n GLY 93 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1p89 n ASN 94 N -2.65 6.70 0.00 1.61 4.13 -1.26 -2.93 115.26 120.86 1p89 n ASN 94 Ca 0.00 -3.30 0.00 0.00 1.68 0.00 0.00 54.58 52.96 1p89 n ASN 94 Cb 0.00 -1.22 0.00 0.00 -1.54 0.00 0.00 39.78 37.02 1p89 n ASN 94 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1p89 n ALA 95 N 0.71 0.00 0.00 5.41 0.00 -0.75 -4.82 120.51 121.07 1p89 n ALA 95 Ca 0.50 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1p89 n ALA 95 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1p89 n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p89 n GLY 96 N 2.00 2.97 0.07 0.00 0.00 -1.26 -4.74 105.19 104.23 1p89 n GLY 96 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1p89 n GLY 96 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1p89 n THR 97 N -2.00 0.00 0.00 2.61 -2.24 -1.26 -4.31 114.28 107.08 1p89 n THR 97 Ca 0.00 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1p89 n THR 97 Cb 0.00 0.78 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 1p89 n THR 97 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1p89 n ALA 98 N -1.29 1.20 0.05 6.98 0.00 -1.26 -4.69 120.51 121.49 1p89 n ALA 98 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.39 1p89 n ALA 98 Cb 0.35 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.72 1p89 n ALA 98 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1p89 h MET 99 N 0.00 -0.20 0.03 0.00 -1.53 -1.89 -2.06 114.93 109.27 1p89 h MET 99 Ca 0.00 0.01 0.01 0.00 -3.44 0.00 0.00 59.70 56.28 1p89 h MET 99 Cb 0.00 0.05 -0.01 0.00 -0.55 0.00 0.00 31.60 31.09 1p89 h MET 99 CO 0.00 0.22 -0.05 0.00 0.14 0.00 0.00 176.91 177.22 1p89 h ARG 100 N -0.89 -0.10 -0.23 0.39 -0.00 -1.86 0.73 114.38 112.42 1p89 h ARG 100 Ca -0.02 0.01 -0.01 0.00 -0.50 0.00 0.00 59.98 59.45 1p89 h ARG 100 Cb 0.51 0.02 -0.01 0.00 0.00 0.00 0.00 29.97 30.50 1p89 h ARG 100 CO 0.03 -0.07 0.09 -1.35 0.00 0.00 0.00 179.97 178.68 1p89 h PRO 101 N -0.10 0.34 -0.52 0.04 0.11 -1.70 -2.67 132.00 127.49 1p89 h PRO 101 Ca 0.01 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.99 1p89 h PRO 101 Cb 0.12 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.15 1p89 h PRO 101 CO -0.03 0.39 0.02 1.25 -0.21 0.00 0.00 178.00 179.41 1p89 h LEU 102 N 0.22 0.84 -0.16 2.35 7.12 -1.32 -0.68 115.31 123.67 1p89 h LEU 102 Ca 0.08 -0.20 0.00 0.00 0.13 0.00 0.00 57.88 57.88 1p89 h LEU 102 Cb 0.17 -0.22 -0.01 0.00 -0.53 0.00 0.00 40.66 40.07 1p89 h LEU 102 CO -0.01 0.89 0.10 0.00 -0.13 0.00 0.00 178.44 179.30 1p89 h ALA 103 N 1.21 0.21 -0.53 1.25 0.00 -0.77 -2.49 119.26 118.13 1p89 h ALA 103 Ca 0.16 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1p89 h ALA 103 Cb 0.46 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1p89 h ALA 103 CO 0.02 -0.30 0.01 0.00 0.00 0.00 0.00 179.25 178.98 1p89 h ALA 104 N 1.05 0.72 -0.95 0.00 0.00 -1.31 -3.02 119.26 115.74 1p89 h ALA 104 Ca 0.06 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.71 1p89 h ALA 104 Cb -0.01 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.53 1p89 h ALA 104 CO -0.01 0.53 0.63 0.00 0.00 0.00 0.00 179.25 180.39 1p89 h ALA 105 N 0.95 1.37 0.00 0.00 0.00 -0.93 -1.59 119.26 119.06 1p89 h ALA 105 Ca 0.15 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1p89 h ALA 105 Cb 0.52 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1p89 h ALA 105 CO 0.03 0.55 -0.08 -0.07 0.00 0.00 0.00 179.25 179.68 1p89 h LEU 106 N 1.22 0.00 0.00 0.00 3.38 -1.40 -3.08 115.31 115.43 1p89 h LEU 106 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1p89 h LEU 106 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1p89 h LEU 106 CO -0.10 0.08 0.00 0.00 0.09 0.00 0.00 178.44 178.50 1p89 s LEU 108 N -2.64 2.90 0.00 0.00 1.43 -1.16 -0.17 118.68 119.05 1p89 s LEU 108 Ca 0.05 0.56 0.00 0.00 -1.03 0.00 0.00 54.13 53.71 1p89 s LEU 108 Cb 0.04 -3.26 0.00 0.00 0.03 0.00 0.00 46.19 43.00 1p89 s LEU 108 CO 0.09 -1.47 0.00 0.61 0.23 0.00 0.00 176.35 175.81 1p89 n GLY 109 N -2.86 2.29 3.06 -3.19 0.00 -1.26 -4.06 105.19 99.16 1p89 n GLY 109 Ca 0.07 0.36 0.03 0.00 0.00 0.00 0.00 46.02 46.48 1p89 n GLY 109 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1p89 s SER 110 N -4.00 -0.96 0.01 1.61 1.04 -1.26 -0.02 113.70 110.13 1p89 s SER 110 Ca 0.00 -0.23 0.01 0.00 0.48 0.00 0.00 55.95 56.21 1p89 s SER 110 Cb 0.00 1.37 -0.01 0.00 0.10 0.00 0.00 66.02 67.48 1p89 s SER 110 CO 0.00 -0.14 -0.03 0.54 0.98 0.00 0.00 173.24 174.59 1p89 s ASN 111 N 2.32 0.35 -0.37 7.02 4.22 -1.25 -4.75 114.94 122.48 1p89 s ASN 111 Ca 0.17 -0.29 -0.12 0.00 -2.14 0.00 0.00 52.86 50.48 1p89 s ASN 111 Cb -0.03 0.03 0.01 0.00 1.28 0.00 0.00 41.25 42.55 1p89 s ASN 111 CO -0.17 -0.13 0.22 -1.81 -2.04 0.00 0.00 177.10 173.18 1p89 s ASP 112 N -0.81 5.83 -0.00 3.54 1.11 -0.48 -2.21 116.67 123.65 1p89 s ASP 112 Ca -0.07 -0.83 -0.02 0.00 0.18 0.00 0.00 52.55 51.82 1p89 s ASP 112 Cb -0.06 -2.07 -0.00 0.00 1.07 0.00 0.00 42.92 41.87 1p89 s ASP 112 CO -0.00 -0.35 0.03 -0.63 1.18 0.00 0.00 175.17 175.40 1p89 s ILE 113 N 1.61 0.04 -0.26 0.77 1.09 -0.59 -0.56 121.20 123.30 1p89 s ILE 113 Ca 0.04 -0.31 -0.01 0.00 -1.10 0.00 0.00 60.65 59.27 1p89 s ILE 113 Cb -0.19 -0.15 0.03 0.00 -1.06 0.00 0.00 42.46 41.10 1p89 s ILE 113 CO 0.08 -0.17 -0.05 -0.69 -0.10 0.00 0.00 174.94 174.01 1p89 s VAL 114 N -0.50 2.82 0.52 2.92 1.01 0.54 0.16 120.40 127.87 1p89 s VAL 114 Ca -0.06 -1.16 -0.13 0.00 0.00 0.00 0.00 61.98 60.64 1p89 s VAL 114 Cb -0.04 -2.49 -0.06 0.00 0.00 0.00 0.00 36.38 33.79 1p89 s VAL 114 CO -0.00 0.11 0.94 -0.76 0.00 0.00 0.00 175.10 175.39 1p89 s LEU 115 N 1.29 3.54 0.16 3.92 1.43 0.49 -0.47 118.68 129.04 1p89 s LEU 115 Ca -0.02 1.38 -0.24 0.00 -1.03 0.00 0.00 54.13 54.22 1p89 s LEU 115 Cb -0.18 -4.34 0.06 0.00 0.03 0.00 0.00 46.19 41.76 1p89 s LEU 115 CO -0.04 -0.64 0.82 -0.89 0.23 0.00 0.00 176.35 175.83 1p89 s THR 116 N -2.76 0.00 0.00 5.49 2.01 0.68 -2.58 115.64 118.48 1p89 s THR 116 Ca 0.55 -0.54 0.00 0.00 0.31 0.00 0.00 61.69 62.01 1p89 s THR 116 Cb -0.10 -1.67 0.00 0.00 0.01 0.00 0.00 72.50 70.74 1p89 s THR 116 CO 0.40 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.94 1p89 n GLY 117 N -0.41 2.98 3.63 4.40 0.00 -1.26 0.06 105.19 114.58 1p89 n GLY 117 Ca -0.08 -1.10 -0.29 0.00 0.00 0.00 0.00 46.02 44.56 1p89 n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1p89 s GLU 118 N -0.83 -0.37 0.58 1.61 0.41 -1.15 -4.68 118.70 114.26 1p89 s GLU 118 Ca 0.00 0.27 0.31 0.00 -0.41 0.00 0.00 54.97 55.13 1p89 s GLU 118 Cb 0.00 -1.67 1.78 0.00 -1.78 0.00 0.00 34.13 32.46 1p89 s GLU 118 CO 0.00 -3.21 2.21 -1.00 -0.49 0.00 0.00 175.26 172.77 1p89 h PRO 119 N -2.23 0.00 0.05 0.39 0.13 -2.02 -2.08 132.00 126.24 1p89 h PRO 119 Ca -0.51 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.31 1p89 h PRO 119 Cb 1.32 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.42 1p89 h PRO 119 CO 0.48 0.03 -1.67 -0.09 -0.23 0.00 0.00 178.00 176.52 1p89 h ARG 120 N 0.00 0.11 0.00 0.86 9.65 -1.94 -3.29 114.38 119.78 1p89 h ARG 120 Ca -0.00 -0.19 0.00 0.00 -1.10 0.00 0.00 59.98 58.68 1p89 h ARG 120 Cb 0.10 0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.76 1p89 h ARG 120 CO 0.00 0.83 0.00 1.98 2.80 0.00 0.00 179.97 185.59 1p89 h MET 121 N 0.03 0.00 0.00 0.20 4.05 -1.61 -1.11 114.93 116.50 1p89 h MET 121 Ca -0.28 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.14 1p89 h MET 121 Cb 2.00 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.80 1p89 h MET 121 CO 0.10 0.00 0.00 1.63 0.23 0.00 0.00 176.91 178.87 1p89 n LYS 122 N -2.71 0.20 -0.24 0.39 5.02 -1.14 -2.16 118.16 117.52 1p89 n LYS 122 Ca -0.02 0.15 0.08 0.00 -2.02 0.00 0.00 58.31 56.50 1p89 n LYS 122 Cb 0.06 -1.50 0.17 0.00 -0.02 0.00 0.00 35.03 33.73 1p89 n LYS 122 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1p89 n GLU 123 N -1.28 1.49 -3.40 1.97 0.28 -0.42 -4.71 120.64 114.58 1p89 n GLU 123 Ca 0.07 -2.79 -0.44 0.00 -0.16 0.00 0.00 57.16 53.83 1p89 n GLU 123 Cb 0.11 -1.56 -0.03 0.00 1.43 0.00 0.00 31.44 31.38 1p89 n GLU 123 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1p89 s ARG 124 N -2.97 3.62 0.16 3.44 1.81 -0.92 -5.05 118.95 119.05 1p89 s ARG 124 Ca 0.35 -2.74 -0.33 0.00 -1.72 0.00 0.00 55.73 51.29 1p89 s ARG 124 Cb 0.31 -4.35 -0.16 0.00 -0.45 0.00 0.00 34.95 30.30 1p89 s ARG 124 CO 0.01 -1.26 1.11 -0.35 -0.68 0.00 0.00 175.30 174.13 1p89 n PRO 125 N 3.45 0.97 -1.61 3.54 -0.04 -1.21 -4.43 135.00 135.66 1p89 n PRO 125 Ca 0.16 0.35 0.02 0.00 -0.04 0.00 0.00 63.50 63.99 1p89 n PRO 125 Cb 0.43 -1.81 0.06 0.00 -0.04 0.00 0.00 33.50 32.14 1p89 n PRO 125 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1p89 n ILE 126 N 1.39 0.70 0.02 0.52 3.06 -0.99 -4.88 119.36 119.18 1p89 n ILE 126 Ca 0.16 -1.86 -0.13 0.00 -2.50 0.00 0.00 62.75 58.43 1p89 n ILE 126 Cb 0.23 0.75 -0.09 0.00 0.54 0.00 0.00 39.64 41.07 1p89 n ILE 126 CO 0.00 0.00 0.00 1.23 -2.50 0.00 0.00 176.55 175.28 1p89 h GLY 127 N 1.34 -0.10 1.77 4.50 0.00 -1.91 -0.06 103.07 108.61 1p89 h GLY 127 Ca -0.15 0.04 0.03 0.00 0.00 0.00 0.00 47.33 47.25 1p89 h GLY 127 CO 0.13 -0.04 0.08 0.45 0.00 0.00 0.00 176.54 177.16 1p89 h HIS 128 N -0.65 0.00 0.15 5.60 3.86 -1.95 0.67 115.15 122.83 1p89 h HIS 128 Ca -0.01 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 1p89 h HIS 128 Cb 0.54 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.01 1p89 h HIS 128 CO 0.10 0.00 -0.07 1.25 0.86 0.00 0.00 177.93 180.07 1p89 h LEU 129 N 0.00 -0.17 -2.24 2.43 5.85 -1.88 -3.03 115.31 116.26 1p89 h LEU 129 Ca 0.05 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.83 1p89 h LEU 129 Cb 0.22 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1p89 h LEU 129 CO -0.00 0.26 0.18 0.58 -0.34 0.00 0.00 178.44 179.12 1p89 h VAL 130 N -0.95 0.48 -0.16 1.05 2.07 -0.77 -1.97 116.25 116.00 1p89 h VAL 130 Ca -0.02 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.42 1p89 h VAL 130 Cb 0.15 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1p89 h VAL 130 CO 0.03 0.00 -0.21 0.44 0.02 0.00 0.00 177.57 177.85 1p89 h ASP 131 N 0.00 0.46 -0.19 0.57 5.19 0.27 -2.15 116.42 120.57 1p89 h ASP 131 Ca 0.08 -0.51 -0.03 0.00 -0.62 0.00 0.00 57.03 55.95 1p89 h ASP 131 Cb 0.44 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.82 1p89 h ASP 131 CO -0.00 0.88 0.00 0.00 -3.12 0.00 0.00 179.24 177.00 1p89 h ALA 132 N 0.60 0.26 -0.36 3.45 0.00 -1.24 -0.98 119.26 120.99 1p89 h ALA 132 Ca 0.02 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1p89 h ALA 132 Cb 0.77 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1p89 h ALA 132 CO 0.05 -0.03 0.23 -0.07 0.00 0.00 0.00 179.25 179.43 1p89 h LEU 133 N 0.10 0.42 -1.20 0.00 3.38 -1.56 -1.36 115.31 115.10 1p89 h LEU 133 Ca 0.06 -0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.07 1p89 h LEU 133 Cb 0.38 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 1p89 h LEU 133 CO 0.01 0.33 0.57 0.03 0.09 0.00 0.00 178.44 179.47 1p89 h ARG 134 N 0.48 0.91 -0.13 1.13 3.08 -1.28 0.65 114.38 119.22 1p89 h ARG 134 Ca 0.13 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 60.05 1p89 h ARG 134 Cb -0.03 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.80 1p89 h ARG 134 CO -0.03 0.61 -0.27 -0.07 -1.07 0.00 0.00 179.97 179.14 1p89 h LEU 135 N 0.94 0.24 -0.40 3.04 3.38 -0.31 -2.22 115.31 119.99 1p89 h LEU 135 Ca 0.39 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1p89 h LEU 135 Cb 0.28 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1p89 h LEU 135 CO -0.15 0.52 0.00 1.23 0.09 0.00 0.00 178.44 180.13 1p89 h GLY 136 N 1.00 0.00 0.00 0.83 0.00 0.11 -3.46 103.07 101.55 1p89 h GLY 136 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1p89 h GLY 136 CO 0.04 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.19 1p89 n GLY 137 N 0.75 0.41 3.79 4.60 0.00 -0.75 0.29 105.19 114.29 1p89 n GLY 137 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1p89 n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p89 s ALA 138 N -1.24 2.94 -0.48 4.61 0.00 -0.31 -3.26 121.76 124.02 1p89 s ALA 138 Ca 0.00 0.67 0.01 0.00 0.00 0.00 0.00 51.96 52.64 1p89 s ALA 138 Cb 0.00 -3.27 0.13 0.00 0.00 0.00 0.00 23.12 19.97 1p89 s ALA 138 CO 0.00 -0.32 0.24 0.15 0.00 0.00 0.00 175.76 175.83 1p89 s LYS 139 N -2.96 2.00 0.47 0.00 1.02 -0.69 -4.28 119.74 115.30 1p89 s LYS 139 Ca 0.64 -2.30 0.04 0.00 0.02 0.00 0.00 55.97 54.37 1p89 s LYS 139 Cb -0.19 -3.43 -0.03 0.00 -0.52 0.00 0.00 37.83 33.66 1p89 s LYS 139 CO 0.24 -1.08 0.11 0.42 -0.92 0.00 0.00 175.35 174.12 1p89 s ILE 140 N 0.26 1.68 0.20 2.17 1.01 -1.26 0.74 121.20 126.01 1p89 s ILE 140 Ca 0.14 -1.85 -0.04 0.00 0.00 0.00 0.00 60.65 58.91 1p89 s ILE 140 Cb -0.22 -2.53 0.02 0.00 0.01 0.00 0.00 42.46 39.73 1p89 s ILE 140 CO -0.03 0.00 0.32 1.07 0.00 0.00 0.00 174.94 176.30 1p89 n THR 141 N -1.28 0.00 -3.93 2.92 5.66 -0.60 -4.90 114.28 112.15 1p89 n THR 141 Ca -0.09 -0.78 -0.30 0.00 -3.05 0.00 0.00 64.05 59.82 1p89 n THR 141 Cb 0.66 0.56 -0.15 0.00 -1.55 0.00 0.00 70.33 69.85 1p89 n THR 141 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 1p89 s TYR 142 N -4.50 2.57 -0.80 1.09 2.02 -1.26 -3.14 117.35 113.34 1p89 s TYR 142 Ca 0.13 -1.99 0.27 0.00 -0.37 0.00 0.00 57.07 55.10 1p89 s TYR 142 Cb -0.01 -1.85 0.92 0.00 -0.40 0.00 0.00 41.96 40.62 1p89 s TYR 142 CO 0.09 -0.82 1.81 1.28 -1.57 0.00 0.00 175.55 176.34 1p89 n LEU 143 N 4.61 0.61 0.00 -1.29 7.99 -1.11 -4.74 117.00 123.07 1p89 n LEU 143 Ca -0.08 0.56 0.00 0.00 -0.01 0.00 0.00 56.01 56.48 1p89 n LEU 143 Cb 0.43 -0.37 0.00 0.00 -0.11 0.00 0.00 43.42 43.38 1p89 n LEU 143 CO 0.18 -0.14 0.00 -0.62 -1.51 0.00 0.00 177.39 175.30 1p89 n GLU 144 N -2.07 0.00 -4.40 3.23 1.02 -1.26 -5.06 120.64 112.10 1p89 n GLU 144 Ca 0.06 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.89 1p89 n GLU 144 Cb 0.41 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.72 1p89 n GLU 144 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1p89 s GLN 145 N -0.82 2.19 0.08 3.49 -0.21 -1.26 -5.10 119.66 118.03 1p89 s GLN 145 Ca 0.00 -0.95 -0.30 0.00 0.02 0.00 0.00 55.36 54.13 1p89 s GLN 145 Cb 0.00 -2.31 -0.05 0.00 1.00 0.00 0.00 33.01 31.65 1p89 s GLN 145 CO 0.00 0.54 1.09 -1.21 -2.12 0.00 0.00 175.29 173.59 1p89 s GLU 146 N -1.82 4.54 -1.04 2.91 2.02 -1.26 -3.46 118.70 120.58 1p89 s GLU 146 Ca 0.18 1.63 -0.01 0.00 0.02 0.00 0.00 54.97 56.80 1p89 s GLU 146 Cb -0.11 -3.36 0.00 0.00 0.10 0.00 0.00 34.13 30.76 1p89 s GLU 146 CO 0.10 -0.07 0.87 0.09 0.02 0.00 0.00 175.26 176.28 1p89 n ASN 147 N 3.40 -2.42 -3.47 -0.19 3.02 -1.26 -4.92 115.26 109.42 1p89 n ASN 147 Ca 0.06 -0.52 -0.14 0.00 -0.03 0.00 0.00 54.58 53.95 1p89 n ASN 147 Cb 0.48 -4.46 -0.05 0.00 -0.61 0.00 0.00 39.78 35.13 1p89 n ASN 147 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1p89 s TYR 148 N -3.31 0.99 0.31 3.10 2.02 -1.22 -2.35 117.35 116.89 1p89 s TYR 148 Ca 0.05 -1.23 0.06 0.00 -0.37 0.00 0.00 57.07 55.59 1p89 s TYR 148 Cb -0.02 -0.12 0.85 0.00 -0.40 0.00 0.00 41.96 42.27 1p89 s TYR 148 CO 0.63 -1.05 1.64 -1.00 -1.57 0.00 0.00 175.55 174.19 1p89 h PRO 149 N 2.19 0.19 -5.73 -1.71 0.13 -1.78 -3.39 132.00 121.90 1p89 h PRO 149 Ca -0.28 -0.01 -0.48 0.00 -0.87 0.00 0.00 66.00 64.35 1p89 h PRO 149 Cb 1.24 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1p89 h PRO 149 CO 0.39 0.12 1.57 -1.25 -0.23 0.00 0.00 178.00 178.60 1p89 s PRO 150 N -5.85 2.31 -0.04 1.56 0.04 -1.24 -3.48 135.00 128.31 1p89 s PRO 150 Ca -0.11 1.34 -0.01 0.00 0.04 0.00 0.00 61.00 62.25 1p89 s PRO 150 Cb 0.28 -4.52 0.03 0.00 0.04 0.00 0.00 34.50 30.33 1p89 s PRO 150 CO 0.78 -3.04 0.03 -0.51 0.04 0.00 0.00 177.00 174.30 1p89 s LEU 151 N 11.19 0.58 -0.35 -3.56 1.43 -1.06 -2.77 118.68 124.14 1p89 s LEU 151 Ca 0.92 0.02 -0.10 0.00 -1.03 0.00 0.00 54.13 53.94 1p89 s LEU 151 Cb -0.18 -0.20 0.01 0.00 0.03 0.00 0.00 46.19 45.85 1p89 s LEU 151 CO 0.26 -0.19 0.18 -0.60 0.23 0.00 0.00 176.35 176.23 1p89 s ARG 152 N 1.72 3.01 0.27 1.70 3.52 -1.19 0.19 118.95 128.18 1p89 s ARG 152 Ca -0.00 -0.94 -0.02 0.00 -0.13 0.00 0.00 55.73 54.63 1p89 s ARG 152 Cb -0.13 -3.65 -0.04 0.00 -1.56 0.00 0.00 34.95 29.57 1p89 s ARG 152 CO -0.03 -0.59 0.49 -0.51 -0.81 0.00 0.00 175.30 173.85 1p89 s LEU 153 N 1.57 4.11 0.00 -0.88 1.43 0.43 -1.56 118.68 123.78 1p89 s LEU 153 Ca 0.03 0.53 0.16 0.00 -1.03 0.00 0.00 54.13 53.82 1p89 s LEU 153 Cb -0.18 -3.34 0.27 0.00 0.03 0.00 0.00 46.19 42.96 1p89 s LEU 153 CO 0.06 -0.17 1.08 0.00 0.23 0.00 0.00 176.35 177.56 1p89 n GLN 154 N -1.08 0.00 0.00 1.70 6.02 0.23 -1.55 117.38 122.70 1p89 n GLN 154 Ca -0.04 -1.58 0.00 0.00 -0.01 0.00 0.00 57.00 55.38 1p89 n GLN 154 Cb 0.54 -0.07 0.00 0.00 1.02 0.00 0.00 30.24 31.74 1p89 n GLN 154 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1p89 n GLY 155 N 0.31 0.05 0.00 1.08 0.00 -1.09 -3.84 105.19 101.70 1p89 n GLY 155 Ca 0.01 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1p89 n GLY 155 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p89 n GLY 156 N 0.00 0.59 3.59 -0.02 0.00 0.97 -1.71 105.19 108.61 1p89 n GLY 156 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1p89 n GLY 156 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1p89 s PHE 157 N -2.00 1.17 -0.17 1.61 5.36 0.76 -3.92 117.98 120.79 1p89 s PHE 157 Ca 0.00 0.75 -0.06 0.00 -0.96 0.00 0.00 56.93 56.66 1p89 s PHE 157 Cb 0.00 -3.87 -0.08 0.00 -0.34 0.00 0.00 43.02 38.73 1p89 s PHE 157 CO 0.00 -3.72 -0.20 0.25 -1.46 0.00 0.00 175.22 170.09 1p89 n THR 158 N 7.80 0.95 -0.25 0.12 -2.24 -0.85 -4.39 114.28 115.42 1p89 n THR 158 Ca 0.31 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1p89 n THR 158 Cb 0.47 -1.55 0.00 0.00 -2.10 0.00 0.00 70.33 67.15 1p89 n THR 158 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1p89 n GLY 159 N 2.13 0.89 0.00 3.38 0.00 0.15 0.30 105.19 112.03 1p89 n GLY 159 Ca -0.33 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 43.86 1p89 n GLY 159 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p89 n GLY 160 N 0.00 1.43 3.71 -0.02 0.00 -0.19 -4.23 105.19 105.88 1p89 n GLY 160 Ca 0.00 -2.20 -0.42 0.00 0.00 0.00 0.00 46.02 43.40 1p89 n GLY 160 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1p89 s ASN 161 N 0.00 6.73 0.04 1.61 2.47 -1.26 -0.80 114.94 123.73 1p89 s ASN 161 Ca 0.00 2.38 0.01 0.00 0.42 0.00 0.00 52.86 55.67 1p89 s ASN 161 Cb 0.00 -2.58 -0.03 0.00 -1.45 0.00 0.00 41.25 37.20 1p89 s ASN 161 CO 0.00 -0.75 -0.06 -0.69 -3.72 0.00 0.00 177.10 171.88 1p89 s VAL 162 N 1.69 0.41 -0.22 -5.21 1.01 0.52 -4.85 120.40 113.75 1p89 s VAL 162 Ca 0.68 -1.13 0.00 0.00 0.00 0.00 0.00 61.98 61.53 1p89 s VAL 162 Cb -0.38 -0.63 0.03 0.00 0.00 0.00 0.00 36.38 35.40 1p89 s VAL 162 CO 0.30 -0.48 -0.13 -1.81 0.00 0.00 0.00 175.10 172.97 1p89 s ASP 163 N -1.72 3.80 0.04 3.32 1.11 -1.26 0.14 116.67 122.10 1p89 s ASP 163 Ca -0.09 -0.86 0.08 0.00 0.18 0.00 0.00 52.55 51.86 1p89 s ASP 163 Cb -0.08 -1.56 -0.03 0.00 1.07 0.00 0.00 42.92 42.32 1p89 s ASP 163 CO -0.01 -0.08 -0.22 0.54 1.18 0.00 0.00 175.17 176.58 1p89 s VAL 164 N 1.27 2.48 0.13 -1.27 0.11 0.88 -4.54 120.40 119.46 1p89 s VAL 164 Ca 0.01 -1.29 -0.26 0.00 -2.93 0.00 0.00 61.98 57.51 1p89 s VAL 164 Cb -0.16 -2.01 -0.07 0.00 -1.53 0.00 0.00 36.38 32.61 1p89 s VAL 164 CO -0.08 0.35 0.80 -0.62 -3.33 0.00 0.00 175.10 172.21 1p89 s ASP 165 N -1.35 7.36 -0.05 3.54 -1.08 -1.26 0.77 116.67 124.60 1p89 s ASP 165 Ca 0.13 1.62 -0.22 0.00 -0.52 0.00 0.00 52.55 53.56 1p89 s ASP 165 Cb -0.10 -2.50 -0.31 0.00 -1.46 0.00 0.00 42.92 38.54 1p89 s ASP 165 CO 0.04 0.13 0.89 1.23 0.52 0.00 0.00 175.17 177.97 1p89 h GLY 166 N 4.80 0.32 -1.96 2.66 0.00 -1.75 -3.44 103.07 103.71 1p89 h GLY 166 Ca -0.46 -0.83 -0.51 0.00 0.00 0.00 0.00 47.33 45.54 1p89 h GLY 166 CO 0.68 0.73 -1.15 1.44 0.00 0.00 0.00 176.54 178.23 1p89 n SER 167 N -4.15 -2.89 -2.25 0.19 7.64 -0.93 -3.30 113.62 107.94 1p89 n SER 167 Ca -0.14 0.13 -0.07 0.00 1.01 0.00 0.00 58.87 59.80 1p89 n SER 167 Cb 0.81 -0.99 0.04 0.00 -1.01 0.00 0.00 64.21 63.05 1p89 n SER 167 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1p89 n VAL 168 N -3.68 -4.11 -1.50 0.44 0.31 -1.26 -4.83 118.33 103.69 1p89 n VAL 168 Ca 0.03 -0.49 0.11 0.00 -0.01 0.00 0.00 64.34 63.97 1p89 n VAL 168 Cb 0.59 -4.30 -0.06 0.00 -0.91 0.00 0.00 33.84 29.15 1p89 n VAL 168 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1p89 n SER 169 N -2.19 -8.00 -0.01 4.52 7.64 -1.26 -4.48 113.62 109.84 1p89 n SER 169 Ca -0.07 1.61 0.16 0.00 1.01 0.00 0.00 58.87 61.58 1p89 n SER 169 Cb 0.56 -5.05 0.91 0.00 -1.01 0.00 0.00 64.21 59.62 1p89 n SER 169 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1p89 n SER 170 N -3.75 0.04 0.18 6.43 3.41 -1.26 -3.82 113.62 114.85 1p89 n SER 170 Ca -0.06 -0.88 0.18 0.00 -0.26 0.00 0.00 58.87 57.85 1p89 n SER 170 Cb 0.61 -0.04 0.76 0.00 -0.26 0.00 0.00 64.21 65.28 1p89 n SER 170 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1p89 h GLN 171 N 0.06 0.00 0.18 4.33 1.08 -1.90 1.49 115.11 120.35 1p89 h GLN 171 Ca 0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 1p89 h GLN 171 Cb 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.49 1p89 h GLN 171 CO 0.00 0.00 -0.09 0.74 -0.95 0.00 0.00 178.83 178.53 1p89 h PHE 172 N 0.00 -0.23 0.08 2.96 -1.00 -1.81 -2.55 116.94 114.39 1p89 h PHE 172 Ca 0.13 -0.01 -0.26 0.00 2.81 0.00 0.00 57.97 60.64 1p89 h PHE 172 Cb 0.96 0.08 0.01 0.00 3.61 0.00 0.00 35.95 40.61 1p89 h PHE 172 CO 0.00 0.19 -1.12 1.25 -1.61 0.00 0.00 178.31 177.02 1p89 h LEU 173 N -0.82 0.52 -1.30 1.54 5.85 -1.49 -2.91 115.31 116.69 1p89 h LEU 173 Ca -0.03 -0.49 0.11 0.00 0.84 0.00 0.00 57.88 58.31 1p89 h LEU 173 Cb 0.52 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.33 1p89 h LEU 173 CO 0.04 1.33 0.54 0.74 -0.34 0.00 0.00 178.44 180.75 1p89 h THR 174 N 0.16 0.93 0.06 1.05 2.02 0.19 0.98 112.91 118.30 1p89 h THR 174 Ca -0.12 -0.26 -0.00 0.00 0.77 0.00 0.00 66.41 66.80 1p89 h THR 174 Cb 1.80 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 68.32 1p89 h THR 174 CO 0.19 0.14 -0.03 0.00 0.37 0.00 0.00 175.52 176.19 1p89 h ALA 175 N 1.59 -0.08 -0.39 6.16 0.00 -1.44 -2.43 119.26 122.66 1p89 h ALA 175 Ca 0.39 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1p89 h ALA 175 Cb 0.50 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1p89 h ALA 175 CO -0.16 -0.26 -0.06 -0.07 0.00 0.00 0.00 179.25 178.70 1p89 h LEU 176 N -0.66 0.63 -1.43 0.00 3.38 -1.22 0.63 115.31 116.64 1p89 h LEU 176 Ca -0.01 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 1p89 h LEU 176 Cb 0.56 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1p89 h LEU 176 CO 0.01 0.74 -0.29 -0.07 0.09 0.00 0.00 178.44 178.93 1p89 h LEU 177 N 0.60 0.00 0.00 1.67 3.38 0.95 0.90 115.31 122.82 1p89 h LEU 177 Ca 0.11 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.83 1p89 h LEU 177 Cb 0.48 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 1p89 h LEU 177 CO 0.02 0.29 -1.93 1.15 0.09 0.00 0.00 178.44 178.06 1p89 n MET 178 N -4.02 0.66 -0.05 1.13 0.00 -0.87 -4.06 117.12 109.91 1p89 n MET 178 Ca -0.02 0.09 -0.21 0.00 0.00 0.00 0.00 57.70 57.56 1p89 n MET 178 Cb 0.35 -1.65 -0.13 0.00 0.00 0.00 0.00 33.22 31.79 1p89 n MET 178 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 1p89 h THR 179 N 0.00 1.01 -0.51 3.17 2.02 0.44 -3.39 112.91 115.65 1p89 h THR 179 Ca -0.32 -2.30 -0.04 0.00 0.77 0.00 0.00 66.41 64.52 1p89 h THR 179 Cb 1.86 2.56 -0.02 0.00 -1.74 0.00 0.00 68.15 70.80 1p89 h THR 179 CO 0.04 0.56 0.16 0.00 0.37 0.00 0.00 175.52 176.65 1p89 h ALA 180 N -0.21 1.32 -0.90 6.16 0.00 0.66 -2.76 119.26 123.53 1p89 h ALA 180 Ca -0.30 -0.17 0.16 0.00 0.00 0.00 0.00 54.91 54.60 1p89 h ALA 180 Cb 1.53 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 19.04 1p89 h ALA 180 CO -0.05 0.49 0.58 -1.00 0.00 0.00 0.00 179.25 179.27 1p89 h PRO 181 N 0.75 0.61 0.00 0.00 0.13 -1.71 0.41 132.00 132.18 1p89 h PRO 181 Ca 0.17 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1p89 h PRO 181 Cb 0.22 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.21 1p89 h PRO 181 CO -0.01 0.40 -0.23 1.28 -0.23 0.00 0.00 178.00 179.22 1p89 n LEU 182 N -4.57 0.31 -4.66 1.56 4.77 -1.06 0.13 117.00 113.47 1p89 n LEU 182 Ca 0.18 0.31 -0.42 0.00 -0.03 0.00 0.00 56.01 56.05 1p89 n LEU 182 Cb 0.54 -0.37 -0.03 0.00 -2.33 0.00 0.00 43.42 41.23 1p89 n LEU 182 CO 0.29 0.02 1.47 0.00 -1.33 0.00 0.00 177.39 177.84 1p89 s ALA 183 N -3.02 3.57 0.56 -1.18 0.00 0.14 -4.10 121.76 117.73 1p89 s ALA 183 Ca 0.12 1.05 0.48 0.00 0.00 0.00 0.00 51.96 53.61 1p89 s ALA 183 Cb 0.17 -3.79 1.67 0.00 0.00 0.00 0.00 23.12 21.17 1p89 s ALA 183 CO 0.61 -1.52 1.58 -1.35 0.00 0.00 0.00 175.76 175.09 1p89 h PRO 184 N 10.11 0.00 -6.22 0.00 0.10 -1.76 0.33 132.00 134.56 1p89 h PRO 184 Ca -0.43 0.00 -0.60 0.00 0.10 0.00 0.00 66.00 65.08 1p89 h PRO 184 Cb 1.20 0.00 -0.08 0.00 0.10 0.00 0.00 31.00 32.22 1p89 h PRO 184 CO 0.95 0.00 -0.59 -1.21 0.10 0.00 0.00 178.00 177.25 1p89 s GLU 185 N -4.84 2.82 -0.15 1.05 8.01 0.15 -3.87 118.70 121.87 1p89 s GLU 185 Ca -0.05 -0.85 -0.29 0.00 0.01 0.00 0.00 54.97 53.79 1p89 s GLU 185 Cb 0.26 -2.63 -0.04 0.00 -4.31 0.00 0.00 34.13 27.40 1p89 s GLU 185 CO 0.86 0.51 1.70 0.34 0.01 0.00 0.00 175.26 178.68 1p89 s ASP 186 N -2.86 6.40 -0.14 -0.19 -1.08 -1.26 -3.65 116.67 113.89 1p89 s ASP 186 Ca 0.30 1.93 -0.06 0.00 -0.52 0.00 0.00 52.55 54.19 1p89 s ASP 186 Cb -0.11 -2.53 -0.04 0.00 -1.46 0.00 0.00 42.92 38.78 1p89 s ASP 186 CO 0.22 -1.19 0.08 -0.89 0.52 0.00 0.00 175.17 173.91 1p89 s THR 187 N 5.02 4.98 -0.34 1.71 2.01 -0.56 -1.03 115.64 127.44 1p89 s THR 187 Ca 0.76 0.02 0.02 0.00 0.31 0.00 0.00 61.69 62.79 1p89 s THR 187 Cb -0.30 -3.19 0.10 0.00 0.01 0.00 0.00 72.50 69.13 1p89 s THR 187 CO 0.31 0.55 0.09 -0.69 -0.69 0.00 0.00 174.62 174.18 1p89 s VAL 188 N -0.39 1.58 0.08 3.82 1.01 0.02 0.55 120.40 127.07 1p89 s VAL 188 Ca 0.10 -1.94 -0.16 0.00 0.00 0.00 0.00 61.98 59.98 1p89 s VAL 188 Cb -0.12 -2.18 -0.06 0.00 0.00 0.00 0.00 36.38 34.02 1p89 s VAL 188 CO 0.02 -0.66 0.51 -0.63 0.00 0.00 0.00 175.10 174.34 1p89 s ILE 189 N 1.17 4.87 0.43 2.22 1.01 -0.68 0.19 121.20 130.41 1p89 s ILE 189 Ca 0.11 0.95 0.07 0.00 0.00 0.00 0.00 60.65 61.78 1p89 s ILE 189 Cb -0.19 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.46 1p89 s ILE 189 CO -0.15 0.44 0.22 0.00 0.00 0.00 0.00 174.94 175.44 1p89 s ARG 190 N -1.44 2.26 -0.49 2.79 1.70 0.36 0.33 118.95 124.46 1p89 s ARG 190 Ca 0.31 -1.85 -0.05 0.00 -0.47 0.00 0.00 55.73 53.67 1p89 s ARG 190 Cb -0.17 -2.02 0.13 0.00 -0.57 0.00 0.00 34.95 32.32 1p89 s ARG 190 CO 0.18 -0.18 0.32 0.42 -1.08 0.00 0.00 175.30 174.96 1p89 s ILE 191 N -2.61 3.75 0.00 4.99 -1.09 0.74 -0.08 121.20 126.89 1p89 s ILE 191 Ca 0.40 -2.20 0.00 0.00 -2.23 0.00 0.00 60.65 56.62 1p89 s ILE 191 Cb 0.02 -3.50 0.00 0.00 -1.58 0.00 0.00 42.46 37.41 1p89 s ILE 191 CO 0.22 -0.77 0.44 0.29 -1.23 0.00 0.00 174.94 173.89 1p89 n LYS 192 N 4.41 0.00 -2.05 2.79 5.02 0.23 -4.81 118.16 123.75 1p89 n LYS 192 Ca -0.01 0.06 -0.28 0.00 -2.02 0.00 0.00 58.31 56.07 1p89 n LYS 192 Cb 0.41 -0.94 0.08 0.00 -0.02 0.00 0.00 35.03 34.56 1p89 n LYS 192 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1p89 s GLY 193 N 0.00 1.64 0.09 0.72 0.00 -1.26 -4.88 107.32 103.63 1p89 s GLY 193 Ca 0.00 -0.81 -0.31 0.00 0.00 0.00 0.00 44.72 43.60 1p89 s GLY 193 CO 0.00 -0.35 1.79 0.99 0.00 0.00 0.00 173.10 175.53 1p89 s ASP 194 N -4.57 6.49 0.50 1.64 1.11 -1.26 -3.01 116.67 117.57 1p89 s ASP 194 Ca 0.62 2.64 -0.23 0.00 0.18 0.00 0.00 52.55 55.75 1p89 s ASP 194 Cb -0.10 -2.56 -0.07 0.00 1.07 0.00 0.00 42.92 41.26 1p89 s ASP 194 CO 0.47 -0.97 1.31 -0.11 1.18 0.00 0.00 175.17 177.05 1p89 n LEU 195 N 5.99 4.87 -0.01 1.23 7.94 -1.26 -2.18 117.00 133.57 1p89 n LEU 195 Ca 0.17 1.02 0.09 0.00 -1.11 0.00 0.00 56.01 56.19 1p89 n LEU 195 Cb 0.39 -1.54 -0.16 0.00 0.53 0.00 0.00 43.42 42.64 1p89 n LEU 195 CO 0.65 -0.64 -0.77 0.55 -1.11 0.00 0.00 177.39 176.07 1p89 n VAL 196 N -0.72 0.07 -2.48 1.96 3.14 -1.21 -4.46 118.33 114.64 1p89 n VAL 196 Ca 0.09 -0.49 -0.17 0.00 -2.96 0.00 0.00 64.34 60.80 1p89 n VAL 196 Cb 0.43 -0.00 0.02 0.00 -1.06 0.00 0.00 33.84 33.23 1p89 n VAL 196 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1p89 n SER 197 N -2.24 3.41 -0.31 6.55 7.64 -1.26 -4.92 113.62 122.48 1p89 n SER 197 Ca -0.05 -3.19 -0.09 0.00 1.01 0.00 0.00 58.87 56.55 1p89 n SER 197 Cb 0.57 -0.45 -0.08 0.00 -1.01 0.00 0.00 64.21 63.24 1p89 n SER 197 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1p89 h LYS 198 N 2.61 -0.02 0.00 1.43 3.64 -1.97 0.50 116.57 122.75 1p89 h LYS 198 Ca 0.14 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1p89 h LYS 198 Cb 1.18 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1p89 h LYS 198 CO 0.63 -0.02 0.00 -1.00 -2.27 0.00 0.00 179.45 176.80 1p89 h PRO 199 N -0.02 0.00 -0.00 1.90 0.13 -1.98 -2.60 132.00 129.43 1p89 h PRO 199 Ca 0.12 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.08 1p89 h PRO 199 Cb 0.33 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.44 1p89 h PRO 199 CO -0.72 0.00 -0.79 1.88 -0.23 0.00 0.00 178.00 178.14 1p89 h TYR 200 N 0.00 0.01 -0.19 1.56 -1.99 -0.52 -3.09 116.97 112.76 1p89 h TYR 200 Ca 0.00 -0.01 -0.11 0.00 2.00 0.00 0.00 58.73 60.62 1p89 h TYR 200 Cb 0.42 -0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.14 1p89 h TYR 200 CO 0.00 0.79 -0.34 0.97 -0.00 0.00 0.00 178.16 179.58 1p89 h ILE 201 N 0.00 1.29 -0.19 -2.88 6.09 -0.47 -2.14 117.51 119.20 1p89 h ILE 201 Ca -0.01 -1.41 0.02 0.00 -1.37 0.00 0.00 64.86 62.09 1p89 h ILE 201 Cb 1.40 1.52 -0.01 0.00 0.47 0.00 0.00 36.82 40.20 1p89 h ILE 201 CO 0.10 0.44 0.13 -0.78 -3.07 0.00 0.00 178.15 174.97 1p89 h ASP 202 N 0.33 0.14 0.46 2.19 3.58 -1.59 0.14 116.42 121.67 1p89 h ASP 202 Ca 0.04 -0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.37 1p89 h ASP 202 Cb 0.76 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.76 1p89 h ASP 202 CO 0.06 0.10 -0.52 0.40 -2.88 0.00 0.00 179.24 176.40 1p89 h ILE 203 N 0.17 1.37 0.46 2.25 2.04 -1.44 0.30 117.51 122.66 1p89 h ILE 203 Ca 0.08 -1.78 -0.02 0.00 1.00 0.00 0.00 64.86 64.14 1p89 h ILE 203 Cb 0.12 1.93 -0.00 0.00 -0.74 0.00 0.00 36.82 38.13 1p89 h ILE 203 CO -0.01 0.51 -0.26 0.74 0.00 0.00 0.00 178.15 179.13 1p89 h THR 204 N 0.06 0.47 -0.17 -0.27 2.02 -0.60 0.99 112.91 115.41 1p89 h THR 204 Ca -0.00 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 67.02 1p89 h THR 204 Cb 0.94 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1p89 h THR 204 CO 0.07 0.00 -0.55 -0.07 0.37 0.00 0.00 175.52 175.34 1p89 h LEU 205 N -0.67 0.57 -1.67 2.58 3.38 -1.47 0.31 115.31 118.34 1p89 h LEU 205 Ca -0.06 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.57 1p89 h LEU 205 Cb 0.54 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1p89 h LEU 205 CO 0.08 1.01 -0.19 0.78 0.09 0.00 0.00 178.44 180.20 1p89 h ASN 206 N 0.39 0.00 0.02 -0.43 2.35 -0.13 0.91 115.58 118.69 1p89 h ASN 206 Ca 0.01 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.60 1p89 h ASN 206 Cb 1.09 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.47 1p89 h ASN 206 CO 0.10 0.19 -0.63 0.25 -1.65 0.00 0.00 177.43 175.69 1p89 h LEU 207 N 0.00 0.51 -0.51 1.61 7.12 0.15 -2.94 115.31 121.25 1p89 h LEU 207 Ca -0.00 -0.79 -0.10 0.00 0.13 0.00 0.00 57.88 57.12 1p89 h LEU 207 Cb 0.36 -0.16 -0.02 0.00 -0.53 0.00 0.00 40.66 40.32 1p89 h LEU 207 CO 0.02 1.24 -0.06 0.24 -0.13 0.00 0.00 178.44 179.76 1p89 h MET 208 N -0.16 0.95 -0.59 1.25 2.86 -0.15 -2.67 114.93 116.42 1p89 h MET 208 Ca -0.08 -0.33 -0.01 0.00 -2.06 0.00 0.00 59.70 57.22 1p89 h MET 208 Cb 1.36 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.92 1p89 h MET 208 CO 0.12 0.99 0.34 1.57 1.06 0.00 0.00 176.91 181.00 1p89 h LYS 209 N 0.81 0.80 -0.04 1.72 2.10 0.20 0.91 116.57 123.08 1p89 h LYS 209 Ca 0.14 -0.08 0.01 0.00 -2.00 0.00 0.00 60.65 58.72 1p89 h LYS 209 Cb 0.60 -0.16 -0.00 0.00 -0.90 0.00 0.00 32.23 31.77 1p89 h LYS 209 CO 0.04 0.59 0.03 1.15 -2.00 0.00 0.00 179.45 179.25 1p89 h THR 210 N 0.79 0.95 0.03 0.07 2.02 -1.41 -2.15 112.91 113.21 1p89 h THR 210 Ca 0.21 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.39 1p89 h THR 210 Cb -0.00 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 1p89 h THR 210 CO -0.04 0.00 -0.01 -0.26 0.37 0.00 0.00 175.52 175.58 1p89 h PHE 211 N 0.00 -0.03 0.00 3.16 0.04 -0.76 -3.43 116.94 115.91 1p89 h PHE 211 Ca 0.02 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.79 1p89 h PHE 211 Cb 0.08 0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.24 1p89 h PHE 211 CO 0.00 0.57 0.00 0.41 -0.60 0.00 0.00 178.31 178.69 1p89 n GLY 212 N 0.65 0.05 3.34 -1.45 0.00 0.15 -2.71 105.19 105.22 1p89 n GLY 212 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 1p89 n GLY 212 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p89 s VAL 213 N 0.00 2.24 0.08 1.61 1.01 -0.71 -4.83 120.40 119.80 1p89 s VAL 213 Ca 0.00 -1.06 0.02 0.00 0.00 0.00 0.00 61.98 60.94 1p89 s VAL 213 Cb 0.00 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 1p89 s VAL 213 CO 0.00 0.57 -0.07 -1.61 0.00 0.00 0.00 175.10 173.98 1p89 s GLU 214 N -0.68 0.75 0.40 2.72 2.02 -1.26 -1.40 118.70 121.24 1p89 s GLU 214 Ca 0.10 -1.15 0.03 0.00 0.02 0.00 0.00 54.97 53.98 1p89 s GLU 214 Cb -0.10 -0.26 -0.04 0.00 0.10 0.00 0.00 34.13 33.83 1p89 s GLU 214 CO -0.00 0.01 0.09 0.96 0.02 0.00 0.00 175.26 176.33 1p89 s ILE 215 N -2.86 0.90 -0.15 -1.63 -5.25 -1.26 -4.54 121.20 106.41 1p89 s ILE 215 Ca 0.05 -2.00 -0.21 0.00 -0.99 0.00 0.00 60.65 57.50 1p89 s ILE 215 Cb 0.00 -2.48 -0.03 0.00 2.95 0.00 0.00 42.46 42.90 1p89 s ILE 215 CO -0.03 0.00 0.63 -0.70 -1.79 0.00 0.00 174.94 173.05 1p89 s GLU 216 N -3.79 4.30 -0.50 0.37 2.56 0.42 -4.97 118.70 117.08 1p89 s GLU 216 Ca 0.26 0.67 -0.13 0.00 0.00 0.00 0.00 54.97 55.77 1p89 s GLU 216 Cb 0.05 -3.52 0.11 0.00 2.00 0.00 0.00 34.13 32.77 1p89 s GLU 216 CO 0.13 -0.09 0.41 0.54 -0.56 0.00 0.00 175.26 175.69 1p89 s ASN 217 N 0.99 5.97 0.66 -1.70 4.22 -1.26 -0.56 114.94 123.26 1p89 s ASN 217 Ca 0.31 -1.74 0.00 0.00 -2.14 0.00 0.00 52.86 49.29 1p89 s ASN 217 Cb -0.16 -2.12 0.00 0.00 1.28 0.00 0.00 41.25 40.25 1p89 s ASN 217 CO 0.12 -0.75 0.00 0.00 -2.04 0.00 0.00 177.10 174.44 1p89 n GLN 218 N 5.10 -0.64 -0.64 3.55 1.13 -0.60 -4.72 117.38 120.58 1p89 n GLN 218 Ca -0.11 0.00 -0.07 0.00 -1.94 0.00 0.00 57.00 54.87 1p89 n GLN 218 Cb 0.41 0.00 -0.10 0.00 0.11 0.00 0.00 30.24 30.66 1p89 n GLN 218 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1p89 n HIS 219 N -2.06 0.00 -1.52 1.08 8.25 -1.26 -4.49 115.22 115.22 1p89 n HIS 219 Ca 0.00 -0.97 -0.18 0.00 -0.26 0.00 0.00 57.72 56.31 1p89 n HIS 219 Cb 0.00 -1.13 -0.08 0.00 1.12 0.00 0.00 29.99 29.91 1p89 n HIS 219 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1p89 n TYR 220 N 2.57 -0.12 -0.01 4.41 4.01 -1.26 -4.74 117.16 122.02 1p89 n TYR 220 Ca 0.26 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 58.03 1p89 n TYR 220 Cb 0.59 -3.16 -0.06 0.00 -0.31 0.00 0.00 39.34 36.40 1p89 n TYR 220 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1p89 n GLN 221 N -2.16 0.60 -3.76 -0.72 6.02 -1.26 -4.80 117.38 111.30 1p89 n GLN 221 Ca -0.18 -0.06 -0.13 0.00 -0.01 0.00 0.00 57.00 56.62 1p89 n GLN 221 Cb 0.60 -1.18 -0.11 0.00 1.02 0.00 0.00 30.24 30.57 1p89 n GLN 221 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1p89 s GLN 222 N -2.48 0.39 -0.45 -1.09 -0.21 -1.26 0.26 119.66 114.82 1p89 s GLN 222 Ca -0.03 0.45 -0.04 0.00 0.02 0.00 0.00 55.36 55.77 1p89 s GLN 222 Cb 0.05 0.19 0.12 0.00 1.00 0.00 0.00 33.01 34.36 1p89 s GLN 222 CO 0.32 -0.05 0.26 -0.06 -2.12 0.00 0.00 175.29 173.63 1p89 s PHE 223 N 0.16 3.55 -0.45 0.91 0.40 1.02 -1.55 117.98 122.02 1p89 s PHE 223 Ca -0.00 -2.41 -0.26 0.00 -0.60 0.00 0.00 56.93 53.66 1p89 s PHE 223 Cb -0.02 -3.25 0.03 0.00 0.51 0.00 0.00 43.02 40.28 1p89 s PHE 223 CO 0.00 -0.96 0.94 0.08 0.70 0.00 0.00 175.22 175.99 1p89 s VAL 224 N 0.98 4.47 -0.34 -0.44 1.01 0.27 -1.69 120.40 124.66 1p89 s VAL 224 Ca 0.09 0.86 -0.14 0.00 0.00 0.00 0.00 61.98 62.79 1p89 s VAL 224 Cb -0.23 -4.43 -0.01 0.00 0.00 0.00 0.00 36.38 31.71 1p89 s VAL 224 CO -0.04 -0.80 0.29 0.68 0.00 0.00 0.00 175.10 175.24 1p89 s VAL 225 N 3.76 5.23 -0.45 2.92 -7.23 0.19 0.16 120.40 124.98 1p89 s VAL 225 Ca 0.38 -0.10 -0.27 0.00 -1.81 0.00 0.00 61.98 60.18 1p89 s VAL 225 Cb -0.10 -3.76 -0.04 0.00 0.56 0.00 0.00 36.38 33.03 1p89 s VAL 225 CO 0.25 -0.05 2.10 -0.54 -0.31 0.00 0.00 175.10 176.55 1p89 s LYS 226 N 1.85 2.66 0.75 4.82 3.01 -1.26 -1.49 119.74 130.07 1p89 s LYS 226 Ca 0.09 1.27 -0.15 0.00 -1.01 0.00 0.00 55.97 56.16 1p89 s LYS 226 Cb -0.17 -4.42 0.03 0.00 -1.01 0.00 0.00 37.83 32.26 1p89 s LYS 226 CO 0.11 -2.66 1.08 0.41 0.51 0.00 0.00 175.35 174.80 1p89 n GLY 227 N 5.76 -0.19 0.89 -3.33 0.00 -1.24 -3.60 105.19 103.48 1p89 n GLY 227 Ca 0.28 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1p89 n GLY 227 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p89 n GLY 228 N 0.89 0.77 3.51 -0.02 0.00 0.12 -4.68 105.19 105.78 1p89 n GLY 228 Ca 0.13 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 1p89 n GLY 228 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1p89 n GLN 229 N -2.45 -1.71 -3.15 1.61 1.13 0.34 -4.94 117.38 108.21 1p89 n GLN 229 Ca 0.00 -1.84 0.05 0.00 -1.94 0.00 0.00 57.00 53.27 1p89 n GLN 229 Cb 0.00 -1.35 -0.01 0.00 0.11 0.00 0.00 30.24 28.99 1p89 n GLN 229 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 1p89 s SER 230 N -5.19 -0.42 0.68 1.08 0.01 -1.26 -4.29 113.70 104.31 1p89 s SER 230 Ca 0.69 0.15 -0.17 0.00 1.31 0.00 0.00 55.95 57.93 1p89 s SER 230 Cb -0.03 1.30 -0.02 0.00 0.21 0.00 0.00 66.02 67.48 1p89 s SER 230 CO 0.50 -0.08 0.93 -1.22 0.41 0.00 0.00 173.24 173.78 1p89 n TYR 231 N 5.30 0.61 -4.46 2.43 4.01 -1.25 -4.71 117.16 119.10 1p89 n TYR 231 Ca 0.01 0.41 -0.24 0.00 -0.16 0.00 0.00 57.90 57.91 1p89 n TYR 231 Cb 0.56 -2.09 -0.10 0.00 -0.31 0.00 0.00 39.34 37.40 1p89 n TYR 231 CO 0.00 0.00 0.00 1.14 -0.46 0.00 0.00 176.86 177.54 1p89 s GLN 232 N -3.07 1.69 -0.73 -0.72 -2.07 -1.10 -0.09 119.66 113.57 1p89 s GLN 232 Ca 0.74 -1.73 -0.26 0.00 -1.82 0.00 0.00 55.36 52.29 1p89 s GLN 232 Cb -0.37 -1.80 0.01 0.00 -1.09 0.00 0.00 33.01 29.76 1p89 s GLN 232 CO 0.49 0.34 1.56 -1.54 -1.32 0.00 0.00 175.29 174.82 1p89 s SER 233 N -3.44 5.79 0.34 12.60 1.04 -1.02 -4.52 113.70 124.49 1p89 s SER 233 Ca 0.29 -0.27 0.07 0.00 0.48 0.00 0.00 55.95 56.53 1p89 s SER 233 Cb -0.05 -2.55 0.63 0.00 0.10 0.00 0.00 66.02 64.14 1p89 s SER 233 CO 0.15 -2.08 1.83 1.55 0.98 0.00 0.00 173.24 175.67 1p89 h PRO 234 N 11.93 0.30 0.00 4.02 0.13 -1.84 -3.49 132.00 143.05 1p89 h PRO 234 Ca -0.20 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1p89 h PRO 234 Cb 1.08 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1p89 h PRO 234 CO 1.27 0.50 0.00 0.41 -0.23 0.00 0.00 178.00 179.95 1p89 n GLY 235 N -0.63 0.21 3.58 1.56 0.00 -1.26 -4.98 105.19 103.67 1p89 n GLY 235 Ca -0.01 -1.21 -0.41 0.00 0.00 0.00 0.00 46.02 44.39 1p89 n GLY 235 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1p89 s THR 236 N 0.00 5.01 -0.03 2.61 2.01 -1.26 0.82 115.64 124.81 1p89 s THR 236 Ca 0.00 0.61 0.06 0.00 0.31 0.00 0.00 61.69 62.67 1p89 s THR 236 Cb 0.00 -3.93 -0.01 0.00 0.01 0.00 0.00 72.50 68.56 1p89 s THR 236 CO 0.00 -0.12 -0.22 -0.47 -0.69 0.00 0.00 174.62 173.12 1p89 s TYR 237 N 2.43 2.06 -0.26 4.92 5.04 0.28 -4.92 117.35 126.91 1p89 s TYR 237 Ca 0.21 -0.46 -0.17 0.00 -2.44 0.00 0.00 57.07 54.21 1p89 s TYR 237 Cb -0.15 -1.34 -0.03 0.00 0.35 0.00 0.00 41.96 40.79 1p89 s TYR 237 CO 0.12 -0.08 0.46 -1.17 -1.34 0.00 0.00 175.55 173.54 1p89 s LEU 238 N -0.40 4.05 0.00 6.97 2.96 -1.26 -0.14 118.68 130.87 1p89 s LEU 238 Ca 0.05 0.45 0.00 0.00 -0.22 0.00 0.00 54.13 54.41 1p89 s LEU 238 Cb -0.10 -2.58 0.00 0.00 0.50 0.00 0.00 46.19 44.01 1p89 s LEU 238 CO 0.00 -0.24 0.66 0.52 -1.32 0.00 0.00 176.35 175.97 1p89 n VAL 239 N 5.08 0.00 -0.66 1.68 0.31 0.31 -4.83 118.33 120.22 1p89 n VAL 239 Ca -0.06 1.13 0.00 0.00 -0.01 0.00 0.00 64.34 65.41 1p89 n VAL 239 Cb 0.50 -2.09 0.00 0.00 -0.91 0.00 0.00 33.84 31.34 1p89 n VAL 239 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72