#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 -0.38 4.04 2.35 -1.92 -3.07 115.58 116.60 1p89 h ASN 26 Ca 0.00 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.67 1p89 h ASN 26 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1p89 h ASN 26 CO 0.00 0.29 -0.08 0.03 -1.65 0.00 0.00 177.43 176.02 1p89 h ARG 27 N 0.00 0.73 0.01 0.81 3.08 -2.00 -1.87 114.38 115.14 1p89 h ARG 27 Ca -0.06 -0.27 -0.19 0.00 0.07 0.00 0.00 59.98 59.52 1p89 h ARG 27 Cb 1.28 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.27 1p89 h ARG 27 CO 0.03 0.87 -0.88 0.00 -1.07 0.00 0.00 179.97 178.92 1p89 h ALA 28 N 0.84 0.53 0.40 0.04 0.00 -1.98 -2.03 119.26 117.06 1p89 h ALA 28 Ca 0.10 -0.74 -0.02 0.00 0.00 0.00 0.00 54.91 54.25 1p89 h ALA 28 Cb 0.59 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1p89 h ALA 28 CO 0.04 0.95 -0.19 -0.07 0.00 0.00 0.00 179.25 179.97 1p89 h LEU 29 N 0.08 -0.46 0.44 0.00 3.38 -1.42 0.23 115.31 117.55 1p89 h LEU 29 Ca -0.04 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1p89 h LEU 29 Cb 1.52 0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.39 1p89 h LEU 29 CO 0.13 -0.27 -0.21 0.25 0.09 0.00 0.00 178.44 178.43 1p89 h LEU 30 N -0.61 -0.50 -1.51 1.67 5.85 -1.42 -0.12 115.31 118.67 1p89 h LEU 30 Ca -0.06 -0.07 0.19 0.00 0.84 0.00 0.00 57.88 58.78 1p89 h LEU 30 Cb 0.45 0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.55 1p89 h LEU 30 CO 0.09 -0.22 0.58 -0.07 -0.34 0.00 0.00 178.44 178.48 1p89 h LEU 31 N -0.78 0.41 -0.39 2.25 3.38 -1.38 0.50 115.31 119.31 1p89 h LEU 31 Ca -0.06 0.04 -0.16 0.00 0.09 0.00 0.00 57.88 57.79 1p89 h LEU 31 Cb 0.54 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1p89 h LEU 31 CO 0.10 0.18 -0.75 0.00 0.09 0.00 0.00 178.44 178.06 1p89 h ALA 32 N 1.62 0.69 -0.05 1.53 0.00 -0.32 -2.39 119.26 120.33 1p89 h ALA 32 Ca 0.45 -0.68 -0.16 0.00 0.00 0.00 0.00 54.91 54.51 1p89 h ALA 32 Cb 1.08 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1p89 h ALA 32 CO -0.17 0.94 -0.68 0.00 0.00 0.00 0.00 179.25 179.34 1p89 h ALA 33 N 1.25 0.74 0.00 0.00 0.00 0.18 -2.92 119.26 118.52 1p89 h ALA 33 Ca -0.01 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1p89 h ALA 33 Cb 1.39 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1p89 h ALA 33 CO 0.10 0.78 -0.50 1.28 0.00 0.00 0.00 179.25 180.91 1p89 n LEU 34 N -3.82 0.59 -4.89 0.00 4.77 -0.15 0.25 117.00 113.75 1p89 n LEU 34 Ca -0.03 0.21 -0.29 0.00 -0.03 0.00 0.00 56.01 55.87 1p89 n LEU 34 Cb 0.67 -0.24 0.04 0.00 -2.33 0.00 0.00 43.42 41.56 1p89 n LEU 34 CO 0.46 -0.01 0.68 0.00 -1.33 0.00 0.00 177.39 177.19 1p89 s ALA 35 N -3.10 3.03 -0.68 -1.18 0.00 -0.91 -3.18 121.76 115.74 1p89 s ALA 35 Ca 0.08 -0.44 -0.17 0.00 0.00 0.00 0.00 51.96 51.44 1p89 s ALA 35 Cb 0.15 -2.90 0.15 0.00 0.00 0.00 0.00 23.12 20.52 1p89 s ALA 35 CO 0.69 -1.01 0.71 -1.01 0.00 0.00 0.00 175.76 175.13 1p89 s HIS 36 N -3.24 3.30 0.00 0.00 3.76 0.11 -0.85 115.29 118.37 1p89 s HIS 36 Ca 0.57 -1.40 0.00 0.00 -0.15 0.00 0.00 55.06 54.08 1p89 s HIS 36 Cb -0.11 -3.92 0.00 0.00 1.11 0.00 0.00 32.58 29.66 1p89 s HIS 36 CO 0.50 -1.15 0.00 0.41 -0.85 0.00 0.00 174.74 173.65 1p89 n GLY 37 N 4.92 3.69 3.71 -2.22 0.00 -1.25 -2.62 105.19 111.42 1p89 n GLY 37 Ca -0.01 -1.49 -0.42 0.00 0.00 0.00 0.00 46.02 44.10 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 -4.86 4.17 0.19 1.61 2.20 -1.24 -2.65 119.74 119.15 1p89 s LYS 38 Ca 0.00 2.49 0.10 0.00 -0.36 0.00 0.00 55.97 58.20 1p89 s LYS 38 Cb 0.00 -3.19 -0.04 0.00 -1.51 0.00 0.00 37.83 33.08 1p89 s LYS 38 CO 0.00 -0.70 -0.20 0.99 -0.36 0.00 0.00 175.35 175.07 1p89 s THR 39 N 1.42 2.09 -0.07 3.43 2.01 0.15 -4.69 115.64 119.98 1p89 s THR 39 Ca 0.74 -2.02 -0.04 0.00 0.31 0.00 0.00 61.69 60.68 1p89 s THR 39 Cb -0.46 -2.00 -0.04 0.00 0.01 0.00 0.00 72.50 70.01 1p89 s THR 39 CO 0.32 -0.26 0.10 -0.69 -0.69 0.00 0.00 174.62 173.40 1p89 s VAL 40 N -1.98 5.04 -0.20 3.82 1.01 0.26 0.44 120.40 128.79 1p89 s VAL 40 Ca 0.19 -0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.07 1p89 s VAL 40 Cb -0.06 -3.23 0.05 0.00 0.00 0.00 0.00 36.38 33.14 1p89 s VAL 40 CO 0.09 0.51 -0.03 -1.48 0.00 0.00 0.00 175.10 174.19 1p89 s LEU 41 N -1.30 1.83 0.43 3.92 2.34 0.35 0.11 118.68 126.36 1p89 s LEU 41 Ca 0.18 -0.89 0.08 0.00 0.06 0.00 0.00 54.13 53.56 1p89 s LEU 41 Cb -0.12 -0.92 0.00 0.00 -0.56 0.00 0.00 46.19 44.60 1p89 s LEU 41 CO 0.08 -0.24 0.49 0.28 -1.06 0.00 0.00 176.35 175.91 1p89 s THR 42 N 1.61 2.75 -1.98 5.48 -1.32 0.65 0.13 115.64 122.96 1p89 s THR 42 Ca -0.02 -1.17 0.00 0.00 -1.21 0.00 0.00 61.69 59.29 1p89 s THR 42 Cb -0.17 -2.92 0.00 0.00 -1.51 0.00 0.00 72.50 67.90 1p89 s THR 42 CO -0.07 0.00 0.00 -3.20 -2.21 0.00 0.00 174.62 169.14 1p89 n ASN 43 N -1.73 -5.27 -4.64 8.08 2.85 0.37 0.13 115.26 115.05 1p89 n ASN 43 Ca 0.06 0.45 -0.32 0.00 -0.11 0.00 0.00 54.58 54.66 1p89 n ASN 43 Cb 0.61 -4.42 0.15 0.00 1.24 0.00 0.00 39.78 37.35 1p89 n ASN 43 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 1p89 n LEU 44 N -2.15 3.21 -4.57 1.20 7.94 0.08 -4.14 117.00 118.57 1p89 n LEU 44 Ca -0.19 0.47 -0.42 0.00 -1.11 0.00 0.00 56.01 54.77 1p89 n LEU 44 Cb 0.62 -1.45 -0.07 0.00 0.53 0.00 0.00 43.42 43.05 1p89 n LEU 44 CO 0.29 -2.21 0.39 -0.22 -1.11 0.00 0.00 177.39 174.53 1p89 s LEU 45 N -5.41 4.26 -1.24 -1.96 2.96 -1.26 -4.50 118.68 111.54 1p89 s LEU 45 Ca 0.68 0.12 -0.13 0.00 -0.22 0.00 0.00 54.13 54.59 1p89 s LEU 45 Cb -0.25 -2.79 -0.06 0.00 0.50 0.00 0.00 46.19 43.59 1p89 s LEU 45 CO 0.57 -0.61 2.34 -0.67 -1.32 0.00 0.00 176.35 176.65 1p89 n ASP 46 N 6.08 5.17 -0.61 3.68 -0.08 -1.25 -4.54 116.55 124.99 1p89 n ASP 46 Ca -0.01 -2.61 0.00 0.00 -1.51 0.00 0.00 54.79 50.66 1p89 n ASP 46 Cb 0.48 -1.39 0.00 0.00 2.34 0.00 0.00 41.12 42.56 1p89 n ASP 46 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1p89 n SER 47 N 5.27 1.48 0.02 1.67 7.64 -1.26 -5.06 113.62 123.39 1p89 n SER 47 Ca 0.57 -0.35 0.11 0.00 1.01 0.00 0.00 58.87 60.21 1p89 n SER 47 Cb 0.29 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.39 1p89 n SER 47 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1p89 n ASP 48 N -0.53 0.33 0.15 6.43 9.92 -1.26 -3.23 116.55 128.35 1p89 n ASP 48 Ca 0.00 0.03 0.00 0.00 -0.53 0.00 0.00 54.79 54.29 1p89 n ASP 48 Cb 0.00 1.43 0.23 0.00 -0.64 0.00 0.00 41.12 42.14 1p89 n ASP 48 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1p89 h ASP 49 N 0.00 0.00 0.00 -2.24 3.32 -1.91 -2.62 116.42 112.97 1p89 h ASP 49 Ca 0.00 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.92 1p89 h ASP 49 Cb 0.95 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.49 1p89 h ASP 49 CO 0.00 0.54 -0.83 0.58 -1.72 0.00 0.00 179.24 177.82 1p89 h VAL 50 N 0.00 0.71 -0.94 -1.35 2.07 -1.80 -3.13 116.25 111.81 1p89 h VAL 50 Ca -0.01 -1.80 0.27 0.00 0.82 0.00 0.00 66.70 65.98 1p89 h VAL 50 Cb 0.97 1.61 -0.04 0.00 -1.52 0.00 0.00 31.29 32.30 1p89 h VAL 50 CO 0.07 0.24 0.67 0.08 0.02 0.00 0.00 177.57 178.65 1p89 h ARG 51 N -1.00 0.05 -0.10 1.57 0.11 -1.64 1.63 114.38 115.00 1p89 h ARG 51 Ca -0.19 -0.00 -0.18 0.00 0.10 0.00 0.00 59.98 59.71 1p89 h ARG 51 Cb 0.97 -0.01 -0.00 0.00 1.11 0.00 0.00 29.97 32.03 1p89 h ARG 51 CO -0.12 0.03 -0.69 0.45 0.10 0.00 0.00 179.97 179.75 1p89 h HIS 52 N 0.05 0.58 -0.01 4.08 3.86 -1.60 0.68 115.15 122.79 1p89 h HIS 52 Ca 0.46 -0.24 -0.00 0.00 -1.16 0.00 0.00 60.37 59.42 1p89 h HIS 52 Cb 1.73 -0.09 -0.00 0.00 1.06 0.00 0.00 27.41 30.11 1p89 h HIS 52 CO -0.00 0.99 0.00 1.98 0.86 0.00 0.00 177.93 181.76 1p89 h MET 53 N 0.31 0.01 -0.26 2.45 1.85 0.23 0.24 114.93 119.76 1p89 h MET 53 Ca -0.02 -0.00 -0.04 0.00 -0.61 0.00 0.00 59.70 59.02 1p89 h MET 53 Cb 1.26 -0.00 -0.01 0.00 0.43 0.00 0.00 31.60 33.28 1p89 h MET 53 CO 0.12 0.26 0.00 -0.07 -0.40 0.00 0.00 176.91 176.82 1p89 h LEU 54 N -0.23 0.44 -2.43 3.39 4.07 -0.57 -1.57 115.31 118.41 1p89 h LEU 54 Ca 0.00 -0.31 0.02 0.00 0.08 0.00 0.00 57.88 57.68 1p89 h LEU 54 Cb 0.25 -0.12 -0.00 0.00 1.08 0.00 0.00 40.66 41.87 1p89 h LEU 54 CO 0.00 0.64 0.15 0.78 -1.08 0.00 0.00 178.44 178.93 1p89 h ASN 55 N 0.23 0.00 -0.01 -0.43 2.35 0.51 -1.25 115.58 116.98 1p89 h ASN 55 Ca 0.07 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.79 1p89 h ASN 55 Cb 0.41 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.78 1p89 h ASN 55 CO 0.01 0.00 -0.12 0.00 -1.65 0.00 0.00 177.43 175.68 1p89 h ALA 56 N 1.76 0.03 -0.02 -0.83 0.00 0.48 -3.01 119.26 117.68 1p89 h ALA 56 Ca 0.03 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1p89 h ALA 56 Cb 0.34 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1p89 h ALA 56 CO -0.00 -0.03 -0.01 -0.07 0.00 0.00 0.00 179.25 179.14 1p89 h LEU 57 N -0.59 0.04 -1.62 0.00 3.38 -0.85 -2.92 115.31 112.74 1p89 h LEU 57 Ca -0.01 -0.41 0.25 0.00 0.09 0.00 0.00 57.88 57.80 1p89 h LEU 57 Cb 0.84 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.52 1p89 h LEU 57 CO 0.02 0.44 0.66 0.00 0.09 0.00 0.00 178.44 179.65 1p89 h THR 58 N -0.37 0.58 -0.14 0.22 1.03 -1.36 0.18 112.91 113.04 1p89 h THR 58 Ca 0.00 -0.09 0.01 0.00 -0.01 0.00 0.00 66.41 66.32 1p89 h THR 58 Cb 0.42 0.28 -0.01 0.00 -1.07 0.00 0.00 68.15 67.77 1p89 h THR 58 CO 0.00 0.05 0.07 0.00 -0.01 0.00 0.00 175.52 175.63 1p89 h ALA 59 N 1.58 0.16 0.00 0.00 0.00 -1.37 -1.09 119.26 118.55 1p89 h ALA 59 Ca 0.51 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.35 1p89 h ALA 59 Cb 1.50 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 1p89 h ALA 59 CO -0.16 -0.37 -0.33 -0.07 0.00 0.00 0.00 179.25 178.32 1p89 h LEU 60 N 0.15 0.00 0.00 0.00 4.07 -0.71 -3.46 115.31 115.36 1p89 h LEU 60 Ca 0.06 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.02 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 -0.04 0.33 0.00 0.61 -1.08 0.00 0.00 178.44 178.25 1p89 n GLY 61 N -0.49 -0.12 3.68 0.83 0.00 -0.10 -4.69 105.19 104.30 1p89 n GLY 61 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 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 2.88 -3.97 1.61 0.31 -0.23 -4.86 118.33 114.07 1p89 n VAL 62 Ca 0.00 -0.31 -0.34 0.00 -0.01 0.00 0.00 64.34 63.68 1p89 n VAL 62 Cb 0.00 -1.24 -0.14 0.00 -0.91 0.00 0.00 33.84 31.55 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 -1.83 4.73 0.19 4.52 0.01 -1.26 -3.81 113.70 116.25 1p89 s SER 63 Ca 0.75 -1.41 0.09 0.00 1.31 0.00 0.00 55.95 56.69 1p89 s SER 63 Cb -0.32 -1.65 -0.04 0.00 0.21 0.00 0.00 66.02 64.21 1p89 s SER 63 CO 0.48 -0.25 -0.17 -0.72 0.41 0.00 0.00 173.24 172.99 1p89 s TYR 64 N 1.17 1.86 -0.17 2.43 -0.85 -1.25 0.28 117.35 120.80 1p89 s TYR 64 Ca -0.05 -0.48 -0.05 0.00 -0.52 0.00 0.00 57.07 55.97 1p89 s TYR 64 Cb -0.20 -0.89 0.09 0.00 0.38 0.00 0.00 41.96 41.34 1p89 s TYR 64 CO -0.03 0.39 0.30 0.99 -1.52 0.00 0.00 175.55 175.68 1p89 s THR 65 N -2.38 -0.46 0.77 -3.49 2.01 -0.87 -4.89 115.64 106.33 1p89 s THR 65 Ca 0.20 0.12 -0.06 0.00 0.31 0.00 0.00 61.69 62.25 1p89 s THR 65 Cb -0.04 -0.59 0.12 0.00 0.01 0.00 0.00 72.50 72.00 1p89 s THR 65 CO 0.08 0.00 1.07 -0.76 -0.69 0.00 0.00 174.62 174.32 1p89 s LEU 66 N 2.45 2.88 0.80 4.42 2.01 -1.25 -0.50 118.68 129.49 1p89 s LEU 66 Ca 0.04 0.04 -0.04 0.00 0.01 0.00 0.00 54.13 54.18 1p89 s LEU 66 Cb -0.13 -2.43 0.16 0.00 0.01 0.00 0.00 46.19 43.80 1p89 s LEU 66 CO -0.11 -1.97 1.10 -0.55 1.01 0.00 0.00 176.35 175.83 1p89 s SER 67 N -4.70 3.90 0.30 2.29 0.15 0.23 -4.84 113.70 111.04 1p89 s SER 67 Ca 0.66 -0.33 0.21 0.00 0.70 0.00 0.00 55.95 57.19 1p89 s SER 67 Cb -0.07 0.11 1.11 0.00 -1.71 0.00 0.00 66.02 65.47 1p89 s SER 67 CO 0.46 -2.18 1.65 0.00 1.20 0.00 0.00 173.24 174.37 1p89 n ALA 68 N -3.10 1.13 0.01 5.45 0.00 -1.26 -0.94 120.51 121.79 1p89 n ALA 68 Ca 0.16 0.18 0.01 0.00 0.00 0.00 0.00 53.44 53.79 1p89 n ALA 68 Cb 0.60 -1.32 0.02 0.00 0.00 0.00 0.00 19.45 18.75 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 -2.23 1.75 -3.55 0.00 8.00 -1.26 -5.00 116.55 114.26 1p89 n ASP 69 Ca -0.01 -1.64 -0.21 0.00 0.71 0.00 0.00 54.79 53.65 1p89 n ASP 69 Cb 0.06 -0.02 0.08 0.00 -0.02 0.00 0.00 41.12 41.22 1p89 n ASP 69 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1p89 n ARG 70 N -0.18 -6.94 0.00 -1.24 1.74 -0.11 -4.74 116.66 105.19 1p89 n ARG 70 Ca 0.01 0.81 0.00 0.00 -0.77 0.00 0.00 57.85 57.90 1p89 n ARG 70 Cb 0.18 -5.79 0.00 0.00 -1.02 0.00 0.00 32.46 25.83 1p89 n ARG 70 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1p89 n THR 71 N -4.51 0.00 -3.68 0.55 -2.24 -1.26 -3.87 114.28 99.26 1p89 n THR 71 Ca -0.16 -0.27 -0.27 0.00 -2.27 0.00 0.00 64.05 61.08 1p89 n THR 71 Cb 0.62 1.36 -0.17 0.00 -2.10 0.00 0.00 70.33 70.05 1p89 n THR 71 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1p89 s ARG 72 N -0.12 0.43 0.19 -0.78 1.81 -1.25 0.14 118.95 119.38 1p89 s ARG 72 Ca 0.00 -0.33 0.11 0.00 -1.72 0.00 0.00 55.73 53.79 1p89 s ARG 72 Cb 0.00 -1.98 -0.04 0.00 -0.45 0.00 0.00 34.95 32.48 1p89 s ARG 72 CO 0.00 -0.68 -0.24 0.00 -0.68 0.00 0.00 175.30 173.71 1p89 s GLU 74 N -2.64 1.72 -0.19 0.00 2.02 0.35 0.13 118.70 120.09 1p89 s GLU 74 Ca 0.20 -1.54 -0.14 0.00 0.02 0.00 0.00 54.97 53.51 1p89 s GLU 74 Cb -0.08 -2.95 -0.05 0.00 0.10 0.00 0.00 34.13 31.16 1p89 s GLU 74 CO 0.09 -0.77 0.29 0.42 0.02 0.00 0.00 175.26 175.31 1p89 s ILE 75 N 1.07 5.29 -0.65 -1.63 1.09 0.17 -2.04 121.20 124.51 1p89 s ILE 75 Ca 0.02 0.51 -0.27 0.00 -1.10 0.00 0.00 60.65 59.81 1p89 s ILE 75 Cb -0.19 -3.63 0.04 0.00 -1.06 0.00 0.00 42.46 37.62 1p89 s ILE 75 CO -0.08 0.35 1.17 -0.63 -0.10 0.00 0.00 174.94 175.65 1p89 s ILE 76 N 0.77 3.98 -0.35 2.92 1.01 0.14 0.29 121.20 129.97 1p89 s ILE 76 Ca 0.15 0.50 -0.39 0.00 0.00 0.00 0.00 60.65 60.91 1p89 s ILE 76 Cb -0.13 -4.77 -0.14 0.00 0.01 0.00 0.00 42.46 37.42 1p89 s ILE 76 CO 0.05 -1.53 2.01 0.61 0.00 0.00 0.00 174.94 176.08 1p89 n GLY 77 N 5.22 0.52 0.25 6.18 0.00 -1.08 -4.39 105.19 111.88 1p89 n GLY 77 Ca 0.04 0.97 0.17 0.00 0.00 0.00 0.00 46.02 47.20 1p89 n GLY 77 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1p89 h ASN 78 N 9.85 0.00 0.00 1.61 -0.73 0.34 -3.31 115.58 123.34 1p89 h ASN 78 Ca -0.31 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.86 1p89 h ASN 78 Cb 1.34 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.93 1p89 h ASN 78 CO 1.01 0.00 0.00 0.61 -0.37 0.00 0.00 177.43 178.68 1p89 n GLY 79 N -1.19 3.01 0.00 1.57 0.00 -0.03 -4.88 105.19 103.67 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 -1.41 5.45 3.84 -0.02 0.00 -1.19 -4.60 105.19 107.26 1p89 n GLY 80 Ca 0.00 -1.16 -0.29 0.00 0.00 0.00 0.00 46.02 44.57 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 2.36 1.66 -0.86 1.61 0.02 -1.26 -3.46 135.00 135.06 1p89 s PRO 81 Ca 0.00 0.28 -0.25 0.00 0.02 0.00 0.00 61.00 61.05 1p89 s PRO 81 Cb 0.00 -1.90 -0.07 0.00 0.02 0.00 0.00 34.50 32.55 1p89 s PRO 81 CO 0.00 -1.84 2.06 -0.51 -0.33 0.00 0.00 177.00 176.38 1p89 s LEU 82 N -5.80 3.10 -0.27 -5.54 2.01 -1.25 -4.87 118.68 106.06 1p89 s LEU 82 Ca 0.62 -0.45 -0.27 0.00 0.01 0.00 0.00 54.13 54.04 1p89 s LEU 82 Cb -0.13 -2.56 0.01 0.00 0.01 0.00 0.00 46.19 43.52 1p89 s LEU 82 CO 0.52 -3.00 0.96 -1.00 1.01 0.00 0.00 176.35 174.84 1p89 s HIS 83 N 11.17 3.26 -0.17 0.29 3.76 -1.26 -4.42 115.29 127.92 1p89 s HIS 83 Ca 0.75 1.22 -0.04 0.00 -0.15 0.00 0.00 55.06 56.84 1p89 s HIS 83 Cb -0.08 -3.31 0.08 0.00 1.11 0.00 0.00 32.58 30.37 1p89 s HIS 83 CO 0.02 -0.54 0.21 0.00 -0.85 0.00 0.00 174.74 173.58 1p89 s ALA 84 N 3.19 -0.26 -0.69 -1.40 0.00 -1.26 -4.71 121.76 116.63 1p89 s ALA 84 Ca 0.40 0.38 -0.00 0.00 0.00 0.00 0.00 51.96 52.73 1p89 s ALA 84 Cb -0.14 -1.18 0.17 0.00 0.00 0.00 0.00 23.12 21.97 1p89 s ALA 84 CO 0.10 -1.02 0.51 -2.00 0.00 0.00 0.00 175.76 173.34 1p89 s GLU 85 N 2.33 2.65 0.00 0.00 2.56 -1.26 -1.55 118.70 123.43 1p89 s GLU 85 Ca 0.05 -2.86 0.00 0.00 0.00 0.00 0.00 54.97 52.17 1p89 s GLU 85 Cb -0.15 -3.69 0.00 0.00 2.00 0.00 0.00 34.13 32.30 1p89 s GLU 85 CO -0.10 -1.20 0.16 0.41 -0.56 0.00 0.00 175.26 173.96 1p89 n GLY 86 N 2.91 0.31 3.49 -1.50 0.00 -1.26 -4.97 105.19 104.18 1p89 n GLY 86 Ca 0.13 0.00 -0.19 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 -2.12 -2.31 4.61 0.00 -0.65 -4.94 120.51 115.10 1p89 n ALA 87 Ca -0.00 -0.07 -0.41 0.00 0.00 0.00 0.00 53.44 52.96 1p89 n ALA 87 Cb 0.16 -2.93 -0.04 0.00 0.00 0.00 0.00 19.45 16.63 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 -6.29 4.48 -0.14 0.00 2.96 0.51 -4.69 118.68 115.50 1p89 s LEU 88 Ca 0.10 1.73 -0.01 0.00 -0.22 0.00 0.00 54.13 55.74 1p89 s LEU 88 Cb -0.02 -3.53 -0.01 0.00 0.50 0.00 0.00 46.19 43.13 1p89 s LEU 88 CO 0.76 -0.06 -0.12 -0.70 -1.32 0.00 0.00 176.35 174.91 1p89 s GLU 89 N 0.04 3.39 0.17 1.98 2.12 -1.25 0.17 118.70 125.31 1p89 s GLU 89 Ca 0.46 -0.68 0.08 0.00 0.36 0.00 0.00 54.97 55.19 1p89 s GLU 89 Cb -0.23 -2.67 -0.04 0.00 0.26 0.00 0.00 34.13 31.45 1p89 s GLU 89 CO 0.29 0.17 -0.05 -0.51 -0.54 0.00 0.00 175.26 174.62 1p89 s LEU 90 N 0.46 3.16 -0.33 2.70 1.43 0.12 -4.88 118.68 121.34 1p89 s LEU 90 Ca -0.09 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 52.55 1p89 s LEU 90 Cb -0.16 -1.84 0.08 0.00 0.03 0.00 0.00 46.19 44.31 1p89 s LEU 90 CO 0.04 0.10 0.04 0.12 0.23 0.00 0.00 176.35 176.89 1p89 s PHE 91 N -1.67 3.46 -2.06 0.29 2.19 -1.26 0.21 117.98 119.14 1p89 s PHE 91 Ca 0.26 -2.33 0.14 0.00 0.33 0.00 0.00 56.93 55.32 1p89 s PHE 91 Cb -0.09 -2.53 0.41 0.00 -1.31 0.00 0.00 43.02 39.50 1p89 s PHE 91 CO 0.17 -0.89 1.33 1.28 1.83 0.00 0.00 175.22 178.94 1p89 n LEU 92 N 4.50 1.98 0.00 6.12 7.99 -0.10 -4.85 117.00 132.64 1p89 n LEU 92 Ca -0.07 -0.96 0.00 0.00 -0.01 0.00 0.00 56.01 54.97 1p89 n LEU 92 Cb 0.42 -0.23 0.00 0.00 -0.11 0.00 0.00 43.42 43.51 1p89 n LEU 92 CO 0.26 0.48 0.00 0.61 -1.51 0.00 0.00 177.39 177.23 1p89 n GLY 93 N 1.11 0.95 2.72 -0.72 0.00 -1.26 -1.77 105.19 106.22 1p89 n GLY 93 Ca 0.13 -0.36 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.47 7.14 0.00 1.61 5.03 -1.26 -2.95 115.26 122.36 1p89 n ASN 94 Ca 0.00 -3.56 0.00 0.00 0.87 0.00 0.00 54.58 51.89 1p89 n ASN 94 Cb 0.00 -1.15 0.00 0.00 -1.02 0.00 0.00 39.78 37.61 1p89 n ASN 94 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1p89 n ALA 95 N 0.11 0.00 0.00 5.41 0.00 -0.73 -4.87 120.51 120.43 1p89 n ALA 95 Ca 0.52 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1p89 n ALA 95 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 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 1.97 3.02 0.18 0.00 0.00 -1.26 -4.73 105.19 104.38 1p89 n GLY 96 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1p89 n GLY 96 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1p89 n THR 97 N -2.00 0.00 0.00 2.61 -1.04 -1.26 -4.19 114.28 108.40 1p89 n THR 97 Ca 0.00 -0.10 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 1p89 n THR 97 Cb 0.00 0.64 0.00 0.00 -1.82 0.00 0.00 70.33 69.15 1p89 n THR 97 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1p89 n ALA 98 N -0.91 1.01 0.11 2.41 0.00 -1.26 -4.70 120.51 117.18 1p89 n ALA 98 Ca 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.41 1p89 n ALA 98 Cb 0.37 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.74 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 -0.33 -0.06 0.00 -1.53 -1.88 -0.97 114.93 110.15 1p89 h MET 99 Ca 0.00 0.02 0.00 0.00 -3.44 0.00 0.00 59.70 56.28 1p89 h MET 99 Cb 0.00 0.08 -0.00 0.00 -0.55 0.00 0.00 31.60 31.12 1p89 h MET 99 CO 0.00 0.03 0.04 0.00 0.14 0.00 0.00 176.91 177.12 1p89 h ARG 100 N -0.86 0.08 -0.17 0.39 -0.00 -1.84 0.17 114.38 112.16 1p89 h ARG 100 Ca -0.04 -0.01 -0.03 0.00 -0.50 0.00 0.00 59.98 59.41 1p89 h ARG 100 Cb 0.51 -0.02 -0.01 0.00 0.00 0.00 0.00 29.97 30.46 1p89 h ARG 100 CO 0.06 0.06 -0.02 -1.35 0.00 0.00 0.00 179.97 178.72 1p89 h PRO 101 N 0.08 0.30 -0.19 0.04 0.11 -1.67 -2.70 132.00 127.97 1p89 h PRO 101 Ca 0.02 -0.11 -0.11 0.00 0.11 0.00 0.00 66.00 65.92 1p89 h PRO 101 Cb -0.01 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.07 1p89 h PRO 101 CO -0.01 0.55 -0.36 1.25 -0.21 0.00 0.00 178.00 179.23 1p89 h LEU 102 N 0.03 0.43 -0.16 2.35 7.12 -1.17 0.11 115.31 124.02 1p89 h LEU 102 Ca 0.04 -0.17 -0.01 0.00 0.13 0.00 0.00 57.88 57.87 1p89 h LEU 102 Cb 0.42 -0.12 -0.01 0.00 -0.53 0.00 0.00 40.66 40.43 1p89 h LEU 102 CO 0.01 0.75 0.06 0.00 -0.13 0.00 0.00 178.44 179.14 1p89 h ALA 103 N 1.27 0.21 -0.33 1.25 0.00 -0.65 -2.99 119.26 118.03 1p89 h ALA 103 Ca 0.04 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 1p89 h ALA 103 Cb 0.79 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1p89 h ALA 103 CO 0.06 -0.20 -0.44 0.00 0.00 0.00 0.00 179.25 178.67 1p89 h ALA 104 N 0.90 0.59 -0.93 0.00 0.00 -1.37 -3.20 119.26 115.24 1p89 h ALA 104 Ca 0.05 -0.47 0.08 0.00 0.00 0.00 0.00 54.91 54.56 1p89 h ALA 104 Cb 0.18 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 1p89 h ALA 104 CO -0.00 0.68 0.58 0.00 0.00 0.00 0.00 179.25 180.51 1p89 h ALA 105 N 0.81 1.31 0.00 0.00 0.00 -0.92 -0.60 119.26 119.86 1p89 h ALA 105 Ca 0.04 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1p89 h ALA 105 Cb 1.03 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1p89 h ALA 105 CO 0.10 0.31 -0.09 -0.07 0.00 0.00 0.00 179.25 179.51 1p89 h LEU 106 N 1.03 0.00 -0.16 0.00 3.38 -1.55 -2.98 115.31 115.04 1p89 h LEU 106 Ca 0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.39 1p89 h LEU 106 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1p89 h LEU 106 CO -0.20 0.09 0.00 0.00 0.09 0.00 0.00 178.44 178.42 1p89 s LEU 108 N -3.17 2.80 0.00 0.00 1.43 -1.12 0.80 118.68 119.42 1p89 s LEU 108 Ca 0.00 0.68 0.00 0.00 -1.03 0.00 0.00 54.13 53.78 1p89 s LEU 108 Cb 0.01 -3.33 0.00 0.00 0.03 0.00 0.00 46.19 42.91 1p89 s LEU 108 CO 0.04 -1.57 0.00 0.61 0.23 0.00 0.00 176.35 175.66 1p89 n GLY 109 N -2.99 1.27 3.14 -3.19 0.00 -1.26 -3.95 105.19 98.21 1p89 n GLY 109 Ca 0.07 0.51 0.05 0.00 0.00 0.00 0.00 46.02 46.65 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 -1.01 -0.01 1.61 1.04 -1.26 -0.62 113.70 109.45 1p89 s SER 110 Ca 0.00 0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.53 1p89 s SER 110 Cb 0.00 1.62 0.01 0.00 0.10 0.00 0.00 66.02 67.75 1p89 s SER 110 CO 0.00 -0.18 -0.01 0.20 0.98 0.00 0.00 173.24 174.23 1p89 s ASN 111 N 2.86 0.26 -0.40 7.02 0.01 -1.24 -4.63 114.94 118.81 1p89 s ASN 111 Ca 0.19 -0.02 -0.15 0.00 -0.71 0.00 0.00 52.86 52.17 1p89 s ASN 111 Cb -0.06 -0.09 0.01 0.00 0.41 0.00 0.00 41.25 41.53 1p89 s ASN 111 CO -0.24 -0.03 0.31 -1.81 -1.51 0.00 0.00 177.10 173.82 1p89 s ASP 112 N 0.40 6.12 -0.04 -1.22 1.01 -0.59 -1.43 116.67 120.92 1p89 s ASP 112 Ca -0.04 -0.77 -0.04 0.00 0.71 0.00 0.00 52.55 52.41 1p89 s ASP 112 Cb -0.06 -2.17 0.01 0.00 1.01 0.00 0.00 42.92 41.71 1p89 s ASP 112 CO -0.01 -0.43 0.11 -0.63 0.21 0.00 0.00 175.17 174.41 1p89 s ILE 113 N 1.77 0.01 -0.30 0.77 1.09 -0.62 -0.37 121.20 123.54 1p89 s ILE 113 Ca 0.06 -0.06 -0.06 0.00 -1.10 0.00 0.00 60.65 59.49 1p89 s ILE 113 Cb -0.18 -0.18 0.02 0.00 -1.06 0.00 0.00 42.46 41.06 1p89 s ILE 113 CO 0.11 -0.03 0.07 -0.69 -0.10 0.00 0.00 174.94 174.29 1p89 s VAL 114 N -0.06 3.79 0.34 2.92 1.01 0.44 0.14 120.40 128.97 1p89 s VAL 114 Ca -0.01 -0.84 -0.07 0.00 0.00 0.00 0.00 61.98 61.06 1p89 s VAL 114 Cb -0.01 -3.00 -0.06 0.00 0.00 0.00 0.00 36.38 33.31 1p89 s VAL 114 CO 0.00 0.03 0.64 -0.76 0.00 0.00 0.00 175.10 175.02 1p89 s LEU 115 N 1.45 3.97 0.00 3.92 1.43 0.41 0.12 118.68 129.98 1p89 s LEU 115 Ca 0.01 0.89 -0.00 0.00 -1.03 0.00 0.00 54.13 54.00 1p89 s LEU 115 Cb -0.18 -3.73 0.00 0.00 0.03 0.00 0.00 46.19 42.31 1p89 s LEU 115 CO 0.02 -0.28 0.02 1.07 0.23 0.00 0.00 176.35 177.41 1p89 n THR 116 N -1.07 0.00 -3.45 5.49 5.66 0.13 -2.12 114.28 118.92 1p89 n THR 116 Ca 0.00 -0.04 0.00 0.00 -3.05 0.00 0.00 64.05 60.96 1p89 n THR 116 Cb 0.54 0.03 0.00 0.00 -1.55 0.00 0.00 70.33 69.35 1p89 n THR 116 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1p89 n GLY 117 N -0.02 1.03 3.58 1.09 0.00 -1.26 -0.92 105.19 108.70 1p89 n GLY 117 Ca -0.00 -0.82 -0.30 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.34 -1.32 0.27 1.61 0.41 -1.15 -4.67 118.70 112.51 1p89 s GLU 118 Ca 0.00 -0.08 -0.04 0.00 -0.41 0.00 0.00 54.97 54.44 1p89 s GLU 118 Cb 0.00 -1.59 0.34 0.00 -1.78 0.00 0.00 34.13 31.11 1p89 s GLU 118 CO 0.00 -3.77 1.88 -1.35 -0.49 0.00 0.00 175.26 171.52 1p89 h PRO 119 N -2.62 1.07 0.00 0.39 0.11 -2.01 -2.01 132.00 126.92 1p89 h PRO 119 Ca -0.44 -0.14 -0.08 0.00 0.11 0.00 0.00 66.00 65.45 1p89 h PRO 119 Cb 1.29 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1p89 h PRO 119 CO 0.33 0.81 -0.37 -0.09 -0.21 0.00 0.00 178.00 178.47 1p89 h ARG 120 N 1.07 0.00 0.00 1.05 9.65 -1.95 -2.96 114.38 121.24 1p89 h ARG 120 Ca 0.26 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.14 1p89 h ARG 120 Cb 0.08 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.66 1p89 h ARG 120 CO -0.04 0.37 0.00 1.98 2.80 0.00 0.00 179.97 185.08 1p89 h MET 121 N 0.00 0.00 0.00 0.20 4.05 -1.63 -2.40 114.93 115.16 1p89 h MET 121 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1p89 h MET 121 Cb 1.26 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.06 1p89 h MET 121 CO 0.05 0.00 0.00 1.63 0.23 0.00 0.00 176.91 178.82 1p89 n LYS 122 N -2.38 0.38 -0.66 0.39 4.76 -1.05 -2.97 118.16 116.64 1p89 n LYS 122 Ca 0.02 0.07 0.06 0.00 -2.87 0.00 0.00 58.31 55.58 1p89 n LYS 122 Cb 0.23 -1.50 0.12 0.00 -1.84 0.00 0.00 35.03 32.03 1p89 n LYS 122 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1p89 n GLU 123 N -1.24 0.91 -3.34 1.97 0.28 -0.90 -4.66 120.64 113.66 1p89 n GLU 123 Ca 0.12 -2.48 -0.46 0.00 -0.16 0.00 0.00 57.16 54.17 1p89 n GLU 123 Cb 0.16 -1.05 -0.03 0.00 1.43 0.00 0.00 31.44 31.95 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 -1.91 3.48 -0.03 3.44 1.81 -1.16 -5.04 118.95 119.54 1p89 s ARG 124 Ca 0.30 -2.37 -0.38 0.00 -1.72 0.00 0.00 55.73 51.56 1p89 s ARG 124 Cb 0.30 -4.38 -0.17 0.00 -0.45 0.00 0.00 34.95 30.25 1p89 s ARG 124 CO -0.06 -1.29 1.45 -0.35 -0.68 0.00 0.00 175.30 174.38 1p89 n PRO 125 N 4.12 1.11 -1.26 3.54 -0.04 -1.21 -4.47 135.00 136.79 1p89 n PRO 125 Ca 0.10 0.40 0.03 0.00 -0.04 0.00 0.00 63.50 63.99 1p89 n PRO 125 Cb 0.46 -2.05 0.10 0.00 -0.04 0.00 0.00 33.50 31.96 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 3.11 1.11 0.02 0.52 3.06 -1.11 -4.86 119.36 121.21 1p89 n ILE 126 Ca 0.21 -2.21 -0.12 0.00 -2.50 0.00 0.00 62.75 58.13 1p89 n ILE 126 Cb 0.17 0.40 -0.09 0.00 0.54 0.00 0.00 39.64 40.66 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 1.18 -0.12 0.73 4.50 0.00 -1.90 -0.44 103.07 107.02 1p89 h GLY 127 Ca -0.10 0.04 0.14 0.00 0.00 0.00 0.00 47.33 47.42 1p89 h GLY 127 CO 0.10 -0.04 0.49 0.45 0.00 0.00 0.00 176.54 177.54 1p89 h HIS 128 N -0.69 0.00 0.00 5.60 3.86 -1.94 1.06 115.15 123.04 1p89 h HIS 128 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1p89 h HIS 128 Cb 0.55 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.02 1p89 h HIS 128 CO 0.10 0.00 -0.12 1.25 0.86 0.00 0.00 177.93 180.03 1p89 h LEU 129 N 0.00 0.00 -1.95 2.43 5.85 -1.88 -3.20 115.31 116.56 1p89 h LEU 129 Ca 0.24 0.00 0.13 0.00 0.84 0.00 0.00 57.88 59.09 1p89 h LEU 129 Cb 1.22 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.24 1p89 h LEU 129 CO -0.00 0.31 0.47 0.58 -0.34 0.00 0.00 178.44 179.45 1p89 h VAL 130 N -0.50 0.38 -0.09 1.05 2.07 -0.63 -0.73 116.25 117.79 1p89 h VAL 130 Ca 0.00 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.40 1p89 h VAL 130 Cb 0.12 0.63 0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1p89 h VAL 130 CO 0.00 0.00 -0.41 -0.78 0.02 0.00 0.00 177.57 176.40 1p89 h ASP 131 N 0.00 0.52 -0.12 0.57 3.58 0.10 -2.47 116.42 118.60 1p89 h ASP 131 Ca 0.21 -0.64 -0.02 0.00 0.42 0.00 0.00 57.03 57.00 1p89 h ASP 131 Cb 1.15 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 42.05 1p89 h ASP 131 CO -0.00 1.07 -0.01 0.00 -2.88 0.00 0.00 179.24 177.42 1p89 h ALA 132 N 0.46 0.16 -0.50 -0.78 0.00 -1.14 -1.77 119.26 115.68 1p89 h ALA 132 Ca -0.03 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.72 1p89 h ALA 132 Cb 1.05 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 1p89 h ALA 132 CO 0.09 -0.13 0.29 -0.07 0.00 0.00 0.00 179.25 179.42 1p89 h LEU 133 N -0.07 0.45 -1.63 0.00 3.38 -1.53 -0.88 115.31 115.04 1p89 h LEU 133 Ca 0.03 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.04 1p89 h LEU 133 Cb 0.39 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1p89 h LEU 133 CO 0.01 0.31 0.29 0.03 0.09 0.00 0.00 178.44 179.17 1p89 h ARG 134 N 0.57 0.48 -0.07 1.13 3.08 -1.36 -0.06 114.38 118.15 1p89 h ARG 134 Ca 0.21 -0.03 -0.12 0.00 0.07 0.00 0.00 59.98 60.11 1p89 h ARG 134 Cb 0.06 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1p89 h ARG 134 CO -0.11 0.32 -0.49 -0.07 -1.07 0.00 0.00 179.97 178.54 1p89 h LEU 135 N 0.50 0.20 -0.63 3.04 3.38 -0.27 -2.67 115.31 118.86 1p89 h LEU 135 Ca 0.17 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1p89 h LEU 135 Cb 0.08 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1p89 h LEU 135 CO -0.04 0.66 0.00 1.23 0.09 0.00 0.00 178.44 180.38 1p89 h GLY 136 N 1.37 0.00 0.00 0.83 0.00 -0.16 -3.46 103.07 101.65 1p89 h GLY 136 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1p89 h GLY 136 CO 0.07 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.22 1p89 n GLY 137 N 0.57 0.09 3.77 4.60 0.00 -0.87 0.62 105.19 113.98 1p89 n GLY 137 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.02 2.95 -0.81 4.61 0.00 -0.40 -3.23 121.76 123.86 1p89 s ALA 138 Ca 0.00 0.91 0.00 0.00 0.00 0.00 0.00 51.96 52.87 1p89 s ALA 138 Cb 0.00 -3.37 0.20 0.00 0.00 0.00 0.00 23.12 19.95 1p89 s ALA 138 CO 0.00 -0.64 0.66 0.15 0.00 0.00 0.00 175.76 175.94 1p89 s LYS 139 N -2.75 2.97 0.51 0.00 -0.14 -0.36 -4.33 119.74 115.65 1p89 s LYS 139 Ca 0.64 -3.22 0.07 0.00 -1.36 0.00 0.00 55.97 52.10 1p89 s LYS 139 Cb -0.28 -3.78 0.03 0.00 -1.68 0.00 0.00 37.83 32.12 1p89 s LYS 139 CO 0.33 -1.26 0.46 0.42 -0.76 0.00 0.00 175.35 174.54 1p89 s ILE 140 N -1.24 2.02 0.00 2.17 1.01 -1.25 0.37 121.20 124.27 1p89 s ILE 140 Ca 0.26 -1.37 0.00 0.00 0.00 0.00 0.00 60.65 59.53 1p89 s ILE 140 Cb -0.08 -2.39 0.00 0.00 0.01 0.00 0.00 42.46 40.00 1p89 s ILE 140 CO -0.12 0.00 0.00 1.07 0.00 0.00 0.00 174.94 175.89 1p89 n THR 141 N -1.78 0.00 -3.76 2.92 5.66 -0.33 -4.89 114.28 112.10 1p89 n THR 141 Ca 0.03 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.73 1p89 n THR 141 Cb 0.63 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 69.26 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 -6.22 1.63 -0.73 1.09 2.02 -1.26 -3.52 117.35 110.36 1p89 s TYR 142 Ca 0.00 -1.50 0.24 0.00 -0.37 0.00 0.00 57.07 55.43 1p89 s TYR 142 Cb 0.00 -1.52 0.91 0.00 -0.40 0.00 0.00 41.96 40.95 1p89 s TYR 142 CO 0.00 -0.79 1.73 1.28 -1.57 0.00 0.00 175.55 176.20 1p89 n LEU 143 N 4.87 0.51 0.00 -1.29 7.99 -0.99 -4.66 117.00 123.43 1p89 n LEU 143 Ca -0.05 0.58 0.00 0.00 -0.01 0.00 0.00 56.01 56.53 1p89 n LEU 143 Cb 0.44 -0.46 0.00 0.00 -0.11 0.00 0.00 43.42 43.28 1p89 n LEU 143 CO 0.13 -0.29 0.00 -0.62 -1.51 0.00 0.00 177.39 175.09 1p89 n GLU 144 N -2.01 0.00 -4.36 3.23 1.02 -1.26 -5.05 120.64 112.20 1p89 n GLU 144 Ca 0.04 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.96 1p89 n GLU 144 Cb 0.31 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.62 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 -0.68 1.37 0.01 3.49 -0.21 -1.26 -5.11 119.66 117.27 1p89 s GLN 145 Ca 0.00 -1.50 -0.30 0.00 0.02 0.00 0.00 55.36 53.58 1p89 s GLN 145 Cb 0.00 -1.42 -0.06 0.00 1.00 0.00 0.00 33.01 32.53 1p89 s GLN 145 CO 0.00 0.28 1.38 -1.21 -2.12 0.00 0.00 175.29 173.62 1p89 s GLU 146 N -3.00 4.30 -0.57 2.91 2.02 -1.26 -3.38 118.70 119.71 1p89 s GLU 146 Ca 0.19 1.95 -0.00 0.00 0.02 0.00 0.00 54.97 57.13 1p89 s GLU 146 Cb -0.05 -3.53 -0.00 0.00 0.10 0.00 0.00 34.13 30.65 1p89 s GLU 146 CO 0.08 -0.54 0.48 0.09 0.02 0.00 0.00 175.26 175.39 1p89 n ASN 147 N 5.17 -2.11 -3.82 -0.19 4.13 -1.26 -4.94 115.26 112.24 1p89 n ASN 147 Ca 0.13 -0.30 -0.14 0.00 1.68 0.00 0.00 54.58 55.94 1p89 n ASN 147 Cb 0.44 -2.72 -0.08 0.00 -1.54 0.00 0.00 39.78 35.87 1p89 n ASN 147 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 1p89 s TYR 148 N -3.17 1.28 0.31 3.10 2.02 -1.22 -2.77 117.35 116.90 1p89 s TYR 148 Ca 0.01 -1.41 0.07 0.00 -0.37 0.00 0.00 57.07 55.37 1p89 s TYR 148 Cb -0.00 -0.50 0.80 0.00 -0.40 0.00 0.00 41.96 41.85 1p89 s TYR 148 CO 0.35 -0.79 1.73 -1.00 -1.57 0.00 0.00 175.55 174.27 1p89 h PRO 149 N 2.38 0.56 -5.76 -1.71 0.13 -1.79 -3.39 132.00 122.42 1p89 h PRO 149 Ca -0.31 -0.03 -0.49 0.00 -0.87 0.00 0.00 66.00 64.30 1p89 h PRO 149 Cb 1.24 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 1p89 h PRO 149 CO 0.45 0.37 1.55 -1.25 -0.23 0.00 0.00 178.00 178.89 1p89 s PRO 150 N -5.83 2.38 -0.05 1.56 0.04 -1.22 -3.42 135.00 128.46 1p89 s PRO 150 Ca -0.11 1.35 -0.01 0.00 0.04 0.00 0.00 61.00 62.27 1p89 s PRO 150 Cb 0.26 -4.50 0.03 0.00 0.04 0.00 0.00 34.50 30.32 1p89 s PRO 150 CO 0.79 -2.97 0.01 -0.51 0.04 0.00 0.00 177.00 174.37 1p89 s LEU 151 N 10.91 0.68 -0.37 -3.56 1.43 -0.90 -2.35 118.68 124.52 1p89 s LEU 151 Ca 0.92 -0.03 -0.12 0.00 -1.03 0.00 0.00 54.13 53.86 1p89 s LEU 151 Cb -0.18 -0.31 0.01 0.00 0.03 0.00 0.00 46.19 45.74 1p89 s LEU 151 CO 0.27 -0.17 0.23 -0.13 0.23 0.00 0.00 176.35 176.77 1p89 s ARG 152 N 1.70 3.05 0.32 1.70 0.52 -1.23 0.15 118.95 125.17 1p89 s ARG 152 Ca 0.00 -0.94 -0.01 0.00 -0.52 0.00 0.00 55.73 54.26 1p89 s ARG 152 Cb -0.13 -3.79 -0.04 0.00 0.52 0.00 0.00 34.95 31.52 1p89 s ARG 152 CO -0.03 -0.63 0.54 -0.51 0.02 0.00 0.00 175.30 174.68 1p89 s LEU 153 N 1.62 4.03 0.00 2.53 1.43 0.36 -1.18 118.68 127.48 1p89 s LEU 153 Ca 0.04 0.53 0.08 0.00 -1.03 0.00 0.00 54.13 53.74 1p89 s LEU 153 Cb -0.19 -3.37 0.13 0.00 0.03 0.00 0.00 46.19 42.80 1p89 s LEU 153 CO 0.08 -0.25 0.95 0.00 0.23 0.00 0.00 176.35 177.36 1p89 n GLN 154 N -1.46 0.00 0.00 1.70 6.02 0.16 -1.59 117.38 122.20 1p89 n GLN 154 Ca -0.04 -1.10 0.00 0.00 -0.01 0.00 0.00 57.00 55.85 1p89 n GLN 154 Cb 0.55 -0.03 0.00 0.00 1.02 0.00 0.00 30.24 31.78 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 0.15 -0.10 0.00 1.08 0.00 -0.97 -3.67 105.19 101.68 1p89 n GLY 155 Ca -0.04 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 0.67 3.58 -0.02 0.00 0.21 -1.22 105.19 108.40 1p89 n GLY 156 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 1.14 -0.21 1.61 5.36 0.24 -3.89 117.98 120.24 1p89 s PHE 157 Ca 0.00 1.01 -0.11 0.00 -0.96 0.00 0.00 56.93 56.87 1p89 s PHE 157 Cb 0.00 -3.78 -0.09 0.00 -0.34 0.00 0.00 43.02 38.81 1p89 s PHE 157 CO 0.00 -3.34 -0.28 0.25 -1.46 0.00 0.00 175.22 170.39 1p89 n THR 158 N 7.86 1.21 -0.89 0.12 -2.24 -0.70 -4.18 114.28 115.45 1p89 n THR 158 Ca 0.33 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 1p89 n THR 158 Cb 0.50 -1.83 0.00 0.00 -2.10 0.00 0.00 70.33 66.89 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 1.68 0.58 0.00 3.38 0.00 0.20 0.11 105.19 111.14 1p89 n GLY 159 Ca -0.39 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 43.90 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 2.32 3.70 -0.02 0.00 0.18 -4.33 105.19 107.03 1p89 n GLY 160 Ca 0.00 -2.15 -0.42 0.00 0.00 0.00 0.00 46.02 43.45 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 6.58 0.05 1.61 2.47 -1.26 -1.15 114.94 123.24 1p89 s ASN 161 Ca 0.00 2.55 0.01 0.00 0.42 0.00 0.00 52.86 55.84 1p89 s ASN 161 Cb 0.00 -2.57 -0.03 0.00 -1.45 0.00 0.00 41.25 37.20 1p89 s ASN 161 CO 0.00 -0.88 -0.06 -0.69 -3.72 0.00 0.00 177.10 171.74 1p89 s VAL 162 N 2.28 0.47 -0.19 -5.21 1.01 0.54 -4.87 120.40 114.42 1p89 s VAL 162 Ca 0.74 -1.27 0.01 0.00 0.00 0.00 0.00 61.98 61.46 1p89 s VAL 162 Cb -0.41 -0.82 0.02 0.00 0.00 0.00 0.00 36.38 35.17 1p89 s VAL 162 CO 0.32 -0.54 -0.17 -1.81 0.00 0.00 0.00 175.10 172.90 1p89 s ASP 163 N -1.94 3.39 0.00 3.32 1.01 -1.26 0.15 116.67 121.34 1p89 s ASP 163 Ca -0.06 -0.69 0.08 0.00 0.71 0.00 0.00 52.55 52.59 1p89 s ASP 163 Cb -0.06 -1.52 -0.02 0.00 1.01 0.00 0.00 42.92 42.33 1p89 s ASP 163 CO -0.02 -0.02 -0.24 0.54 0.21 0.00 0.00 175.17 175.65 1p89 s VAL 164 N 1.29 2.30 0.17 -1.27 0.11 0.15 -4.53 120.40 118.63 1p89 s VAL 164 Ca 0.04 -1.16 -0.30 0.00 -2.93 0.00 0.00 61.98 57.63 1p89 s VAL 164 Cb -0.14 -1.86 -0.07 0.00 -1.53 0.00 0.00 36.38 32.78 1p89 s VAL 164 CO -0.11 0.49 0.96 -0.62 -3.33 0.00 0.00 175.10 172.48 1p89 s ASP 165 N -0.92 7.56 -0.04 3.54 -1.08 -1.26 -0.02 116.67 124.44 1p89 s ASP 165 Ca 0.11 1.88 -0.22 0.00 -0.52 0.00 0.00 52.55 53.81 1p89 s ASP 165 Cb -0.10 -2.60 -0.31 0.00 -1.46 0.00 0.00 42.92 38.45 1p89 s ASP 165 CO 0.01 0.03 0.92 1.23 0.52 0.00 0.00 175.17 177.88 1p89 h GLY 166 N 4.90 0.35 -1.75 2.66 0.00 -1.76 -3.43 103.07 104.05 1p89 h GLY 166 Ca -0.44 -0.86 -0.50 0.00 0.00 0.00 0.00 47.33 45.53 1p89 h GLY 166 CO 0.70 0.76 -0.90 1.44 0.00 0.00 0.00 176.54 178.54 1p89 n SER 167 N -4.14 -2.36 -2.24 0.19 7.64 -1.02 -3.28 113.62 108.41 1p89 n SER 167 Ca -0.13 0.10 -0.08 0.00 1.01 0.00 0.00 58.87 59.77 1p89 n SER 167 Cb 0.80 -1.06 0.04 0.00 -1.01 0.00 0.00 64.21 62.98 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 -3.96 -3.91 -1.53 0.44 0.31 -1.26 -4.82 118.33 103.60 1p89 n VAL 168 Ca 0.03 -0.45 0.00 0.00 -0.01 0.00 0.00 64.34 63.91 1p89 n VAL 168 Cb 0.58 -4.20 0.00 0.00 -0.91 0.00 0.00 33.84 29.31 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 -2.17 -7.48 0.00 4.52 7.64 -1.26 -4.49 113.62 110.38 1p89 n SER 169 Ca -0.08 1.64 0.10 0.00 1.01 0.00 0.00 58.87 61.53 1p89 n SER 169 Cb 0.57 -4.73 0.52 0.00 -1.01 0.00 0.00 64.21 59.56 1p89 n SER 169 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1p89 n SER 170 N -2.49 0.00 0.09 6.43 7.64 -1.26 -3.57 113.62 120.46 1p89 n SER 170 Ca 0.00 -0.20 0.20 0.00 1.01 0.00 0.00 58.87 59.88 1p89 n SER 170 Cb 0.41 -0.19 0.66 0.00 -1.01 0.00 0.00 64.21 64.08 1p89 n SER 170 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1p89 h GLN 171 N 0.00 0.00 0.19 1.43 1.08 -1.89 1.23 115.11 117.16 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 0.12 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 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 -0.24 -0.12 2.96 -1.00 -1.81 -2.27 116.94 114.46 1p89 h PHE 172 Ca 0.21 -0.01 -0.22 0.00 2.81 0.00 0.00 57.97 60.76 1p89 h PHE 172 Cb 1.42 0.08 0.01 0.00 3.61 0.00 0.00 35.95 41.07 1p89 h PHE 172 CO 0.00 0.17 -0.80 1.25 -1.61 0.00 0.00 178.31 177.32 1p89 h LEU 173 N -0.88 0.85 -1.70 1.54 5.85 -1.32 -2.53 115.31 117.11 1p89 h LEU 173 Ca -0.03 -0.57 0.03 0.00 0.84 0.00 0.00 57.88 58.15 1p89 h LEU 173 Cb 0.51 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1p89 h LEU 173 CO 0.04 1.36 0.25 0.74 -0.34 0.00 0.00 178.44 180.49 1p89 h THR 174 N 0.47 1.03 -0.05 1.05 2.02 0.13 0.92 112.91 118.48 1p89 h THR 174 Ca -0.06 -0.14 -0.06 0.00 0.77 0.00 0.00 66.41 66.93 1p89 h THR 174 Cb 1.42 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 68.42 1p89 h THR 174 CO 0.16 0.07 -0.20 0.00 0.37 0.00 0.00 175.52 175.92 1p89 h ALA 175 N 1.78 0.10 -0.23 6.16 0.00 -1.29 -2.31 119.26 123.48 1p89 h ALA 175 Ca 0.15 -0.39 -0.14 0.00 0.00 0.00 0.00 54.91 54.53 1p89 h ALA 175 Cb 0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1p89 h ALA 175 CO -0.04 0.06 -0.44 -0.07 0.00 0.00 0.00 179.25 178.77 1p89 h LEU 176 N -0.30 0.61 -1.31 0.00 3.38 -0.97 0.26 115.31 116.98 1p89 h LEU 176 Ca -0.01 -0.28 -0.07 0.00 0.09 0.00 0.00 57.88 57.61 1p89 h LEU 176 Cb 0.84 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1p89 h LEU 176 CO 0.04 0.96 -0.31 -0.07 0.09 0.00 0.00 178.44 179.15 1p89 h LEU 177 N 0.46 0.00 0.00 1.67 3.38 0.81 1.26 115.31 122.89 1p89 h LEU 177 Ca 0.03 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.77 1p89 h LEU 177 Cb 0.95 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.65 1p89 h LEU 177 CO 0.08 0.31 -1.92 0.23 0.09 0.00 0.00 178.44 177.23 1p89 n MET 178 N -3.78 0.65 -0.06 1.13 2.81 -0.87 -4.04 117.12 112.96 1p89 n MET 178 Ca -0.01 0.07 -0.21 0.00 -1.81 0.00 0.00 57.70 55.74 1p89 n MET 178 Cb 0.40 -1.65 -0.12 0.00 -0.71 0.00 0.00 33.22 31.14 1p89 n MET 178 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 1p89 h THR 179 N 0.00 0.92 -0.88 2.03 2.02 -0.32 -3.40 112.91 113.27 1p89 h THR 179 Ca -0.30 -2.26 -0.00 0.00 0.77 0.00 0.00 66.41 64.62 1p89 h THR 179 Cb 1.80 2.42 -0.04 0.00 -1.74 0.00 0.00 68.15 70.59 1p89 h THR 179 CO 0.04 0.51 0.55 0.00 0.37 0.00 0.00 175.52 176.99 1p89 h ALA 180 N -0.28 1.30 -0.88 6.16 0.00 0.14 -2.64 119.26 123.06 1p89 h ALA 180 Ca -0.34 -0.09 0.17 0.00 0.00 0.00 0.00 54.91 54.65 1p89 h ALA 180 Cb 1.51 -0.36 -0.07 0.00 0.00 0.00 0.00 17.79 18.88 1p89 h ALA 180 CO -0.09 0.61 0.57 -1.00 0.00 0.00 0.00 179.25 179.34 1p89 h PRO 181 N 1.21 0.52 -0.00 0.00 0.13 -1.71 0.53 132.00 132.68 1p89 h PRO 181 Ca 0.32 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.42 1p89 h PRO 181 Cb -0.08 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 30.93 1p89 h PRO 181 CO -0.06 0.35 -0.17 1.28 -0.23 0.00 0.00 178.00 179.16 1p89 n LEU 182 N -4.54 0.41 -4.67 1.56 4.32 -1.01 0.13 117.00 113.20 1p89 n LEU 182 Ca 0.18 0.09 -0.42 0.00 -0.02 0.00 0.00 56.01 55.84 1p89 n LEU 182 Cb 0.57 -0.25 -0.03 0.00 -1.62 0.00 0.00 43.42 42.09 1p89 n LEU 182 CO 0.30 0.08 1.33 0.00 -1.22 0.00 0.00 177.39 177.88 1p89 s ALA 183 N -2.68 3.63 0.48 -1.18 0.00 0.18 -4.16 121.76 118.02 1p89 s ALA 183 Ca 0.22 0.96 0.41 0.00 0.00 0.00 0.00 51.96 53.54 1p89 s ALA 183 Cb 0.19 -3.72 1.54 0.00 0.00 0.00 0.00 23.12 21.14 1p89 s ALA 183 CO 0.53 -1.30 1.47 -2.30 0.00 0.00 0.00 175.76 174.17 1p89 n PRO 184 N 6.71 -0.01 -4.11 0.00 -0.01 -1.22 0.46 135.00 136.82 1p89 n PRO 184 Ca 0.16 1.09 -0.25 0.00 -0.01 0.00 0.00 63.50 64.49 1p89 n PRO 184 Cb 0.43 -2.35 -0.06 0.00 -0.01 0.00 0.00 33.50 31.51 1p89 n PRO 184 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 175.50 174.28 1p89 s GLU 185 N -4.92 2.83 -0.15 -0.52 2.02 0.30 -3.77 118.70 114.49 1p89 s GLU 185 Ca -0.06 -0.94 -0.29 0.00 0.02 0.00 0.00 54.97 53.70 1p89 s GLU 185 Cb 0.27 -2.59 -0.03 0.00 0.10 0.00 0.00 34.13 31.88 1p89 s GLU 185 CO 0.82 0.47 1.58 0.34 0.02 0.00 0.00 175.26 178.48 1p89 s ASP 186 N -3.21 6.56 -0.15 -0.19 -1.08 -1.26 -3.63 116.67 113.72 1p89 s ASP 186 Ca 0.31 1.84 -0.07 0.00 -0.52 0.00 0.00 52.55 54.12 1p89 s ASP 186 Cb -0.10 -2.53 -0.04 0.00 -1.46 0.00 0.00 42.92 38.79 1p89 s ASP 186 CO 0.23 -1.07 0.09 -0.89 0.52 0.00 0.00 175.17 174.05 1p89 s THR 187 N 4.55 5.04 -0.34 1.71 2.01 -0.46 -0.65 115.64 127.50 1p89 s THR 187 Ca 0.70 0.04 0.02 0.00 0.31 0.00 0.00 61.69 62.76 1p89 s THR 187 Cb -0.27 -3.22 0.10 0.00 0.01 0.00 0.00 72.50 69.12 1p89 s THR 187 CO 0.27 0.54 0.08 -0.69 -0.69 0.00 0.00 174.62 174.13 1p89 s VAL 188 N -0.35 1.73 0.11 3.82 1.01 -0.30 0.92 120.40 127.34 1p89 s VAL 188 Ca 0.10 -2.04 -0.16 0.00 0.00 0.00 0.00 61.98 59.87 1p89 s VAL 188 Cb -0.12 -2.28 -0.07 0.00 0.00 0.00 0.00 36.38 33.91 1p89 s VAL 188 CO 0.01 -0.65 0.55 -0.63 0.00 0.00 0.00 175.10 174.38 1p89 s ILE 189 N 1.09 4.82 0.42 2.22 1.09 -0.73 0.20 121.20 130.32 1p89 s ILE 189 Ca 0.11 1.00 0.07 0.00 -1.10 0.00 0.00 60.65 60.73 1p89 s ILE 189 Cb -0.19 -3.80 -0.04 0.00 -1.06 0.00 0.00 42.46 37.36 1p89 s ILE 189 CO -0.14 0.40 0.20 0.00 -0.10 0.00 0.00 174.94 175.30 1p89 s ARG 190 N -1.54 2.24 -0.48 2.79 1.70 0.40 0.34 118.95 124.40 1p89 s ARG 190 Ca 0.33 -1.85 -0.05 0.00 -0.47 0.00 0.00 55.73 53.69 1p89 s ARG 190 Cb -0.17 -2.00 0.13 0.00 -0.57 0.00 0.00 34.95 32.34 1p89 s ARG 190 CO 0.19 -0.15 0.31 0.42 -1.08 0.00 0.00 175.30 174.98 1p89 s ILE 191 N -2.61 3.73 0.00 4.99 -1.09 0.62 0.33 121.20 127.17 1p89 s ILE 191 Ca 0.40 -2.16 0.00 0.00 -2.23 0.00 0.00 60.65 56.67 1p89 s ILE 191 Cb 0.03 -3.49 0.00 0.00 -1.58 0.00 0.00 42.46 37.42 1p89 s ILE 191 CO 0.22 -0.76 0.36 0.29 -1.23 0.00 0.00 174.94 173.82 1p89 n LYS 192 N 4.47 0.00 -1.83 2.79 5.02 0.98 -4.83 118.16 124.75 1p89 n LYS 192 Ca -0.02 0.01 -0.29 0.00 -2.02 0.00 0.00 58.31 55.99 1p89 n LYS 192 Cb 0.41 -0.86 0.08 0.00 -0.02 0.00 0.00 35.03 34.64 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 1.60 0.08 0.72 0.00 -1.26 -4.88 107.32 103.58 1p89 s GLY 193 Ca 0.00 -0.53 -0.31 0.00 0.00 0.00 0.00 44.72 43.89 1p89 s GLY 193 CO 0.00 -0.06 1.92 1.34 0.00 0.00 0.00 173.10 176.29 1p89 n ASP 194 N -3.30 4.13 -4.68 1.64 2.03 -1.26 -3.06 116.55 112.06 1p89 n ASP 194 Ca 0.07 0.94 -0.39 0.00 0.52 0.00 0.00 54.79 55.94 1p89 n ASP 194 Cb 0.59 -1.54 0.04 0.00 -0.72 0.00 0.00 41.12 39.49 1p89 n ASP 194 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1p89 n LEU 195 N 6.67 4.35 -0.02 -2.67 7.94 -1.26 -2.44 117.00 129.57 1p89 n LEU 195 Ca 0.19 0.94 0.06 0.00 -1.11 0.00 0.00 56.01 56.10 1p89 n LEU 195 Cb 0.39 -1.48 -0.13 0.00 0.53 0.00 0.00 43.42 42.73 1p89 n LEU 195 CO 0.67 -1.13 -0.76 0.55 -1.11 0.00 0.00 177.39 175.61 1p89 n VAL 196 N -1.09 0.18 -2.43 1.96 3.14 -1.21 -4.50 118.33 114.38 1p89 n VAL 196 Ca 0.11 -0.44 -0.19 0.00 -2.96 0.00 0.00 64.34 60.86 1p89 n VAL 196 Cb 0.44 -0.00 0.02 0.00 -1.06 0.00 0.00 33.84 33.24 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 -2.18 3.69 -0.15 6.55 7.64 -1.26 -4.91 113.62 123.00 1p89 n SER 197 Ca -0.07 -3.28 -0.05 0.00 1.01 0.00 0.00 58.87 56.48 1p89 n SER 197 Cb 0.54 -0.44 -0.04 0.00 -1.01 0.00 0.00 64.21 63.26 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 2.53 -0.04 0.00 1.43 3.64 -1.96 0.24 116.57 122.41 1p89 h LYS 198 Ca 0.18 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1p89 h LYS 198 Cb 1.22 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1p89 h LYS 198 CO 0.65 -0.03 0.00 -1.00 -2.27 0.00 0.00 179.45 176.80 1p89 h PRO 199 N -0.05 0.00 0.00 1.90 0.13 -1.98 -2.29 132.00 129.71 1p89 h PRO 199 Ca 0.06 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.07 1p89 h PRO 199 Cb 0.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.31 1p89 h PRO 199 CO -0.37 0.00 -0.58 1.88 -0.23 0.00 0.00 178.00 178.70 1p89 h TYR 200 N 0.00 0.00 -0.09 1.56 -1.99 -1.02 -3.11 116.97 112.31 1p89 h TYR 200 Ca 0.00 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.59 1p89 h TYR 200 Cb 0.34 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.06 1p89 h TYR 200 CO 0.00 0.58 -0.56 0.97 -0.00 0.00 0.00 178.16 179.15 1p89 h ILE 201 N 0.00 1.36 -0.24 -2.88 6.09 -0.35 -2.72 117.51 118.78 1p89 h ILE 201 Ca -0.01 -1.86 -0.01 0.00 -1.37 0.00 0.00 64.86 61.61 1p89 h ILE 201 Cb 1.21 1.91 -0.01 0.00 0.47 0.00 0.00 36.82 40.40 1p89 h ILE 201 CO 0.08 0.55 0.11 0.44 -3.07 0.00 0.00 178.15 176.26 1p89 h ASP 202 N 0.21 0.29 0.42 2.19 5.19 -1.60 -0.10 116.42 123.03 1p89 h ASP 202 Ca 0.00 -0.02 -0.09 0.00 -0.62 0.00 0.00 57.03 56.31 1p89 h ASP 202 Cb 1.04 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 40.47 1p89 h ASP 202 CO 0.09 0.25 -0.41 0.40 -3.12 0.00 0.00 179.24 176.46 1p89 h ILE 203 N 0.33 1.27 0.24 0.35 2.04 -1.54 0.15 117.51 120.35 1p89 h ILE 203 Ca 0.08 -1.41 -0.01 0.00 1.00 0.00 0.00 64.86 64.53 1p89 h ILE 203 Cb 0.05 1.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 1p89 h ILE 203 CO -0.01 0.40 -0.12 0.74 0.00 0.00 0.00 178.15 179.16 1p89 h THR 204 N 0.00 0.79 -0.29 -0.27 2.02 -0.95 0.61 112.91 114.81 1p89 h THR 204 Ca -0.00 -0.14 -0.16 0.00 0.77 0.00 0.00 66.41 66.88 1p89 h THR 204 Cb 0.73 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 1p89 h THR 204 CO 0.05 0.03 -0.47 -0.07 0.37 0.00 0.00 175.52 175.44 1p89 h LEU 205 N -0.39 0.84 -1.80 2.58 3.38 -1.42 0.19 115.31 118.69 1p89 h LEU 205 Ca -0.03 -0.41 -0.03 0.00 0.09 0.00 0.00 57.88 57.49 1p89 h LEU 205 Cb 0.30 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1p89 h LEU 205 CO 0.05 1.17 -0.15 -1.13 0.09 0.00 0.00 178.44 178.48 1p89 h ASN 206 N 0.61 0.00 0.15 -0.43 -1.24 -0.53 0.56 115.58 114.71 1p89 h ASN 206 Ca 0.03 0.00 -0.29 0.00 0.71 0.00 0.00 56.30 56.75 1p89 h ASN 206 Cb 1.04 0.00 0.03 0.00 0.73 0.00 0.00 38.32 40.12 1p89 h ASN 206 CO 0.10 0.15 -1.23 -0.07 -1.29 0.00 0.00 177.43 175.09 1p89 h LEU 207 N 0.00 0.83 -0.48 0.34 -0.00 0.69 -2.78 115.31 113.91 1p89 h LEU 207 Ca -0.00 -0.85 -0.14 0.00 -0.00 0.00 0.00 57.88 56.88 1p89 h LEU 207 Cb 0.30 -0.26 -0.01 0.00 -0.00 0.00 0.00 40.66 40.68 1p89 h LEU 207 CO 0.02 1.60 -0.30 0.24 -0.00 0.00 0.00 178.44 180.00 1p89 h MET 208 N 0.18 0.93 -0.32 1.13 2.86 -0.08 -2.94 114.93 116.69 1p89 h MET 208 Ca -0.20 -0.44 -0.04 0.00 -2.06 0.00 0.00 59.70 56.97 1p89 h MET 208 Cb 1.92 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 33.56 1p89 h MET 208 CO 0.23 1.09 0.04 1.57 1.06 0.00 0.00 176.91 180.91 1p89 h LYS 209 N 0.78 0.53 -0.21 1.72 2.10 0.20 -0.45 116.57 121.24 1p89 h LYS 209 Ca 0.08 -0.15 0.06 0.00 -2.00 0.00 0.00 60.65 58.65 1p89 h LYS 209 Cb 0.88 -0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 32.14 1p89 h LYS 209 CO 0.08 0.63 0.16 0.00 -2.00 0.00 0.00 179.45 178.32 1p89 h THR 210 N 0.36 0.82 0.08 0.07 1.03 -1.47 -2.22 112.91 111.58 1p89 h THR 210 Ca 0.10 0.00 -0.00 0.00 -0.01 0.00 0.00 66.41 66.49 1p89 h THR 210 Cb 0.36 0.89 0.00 0.00 -1.07 0.00 0.00 68.15 68.33 1p89 h THR 210 CO 0.01 0.00 -0.04 -0.26 -0.01 0.00 0.00 175.52 175.22 1p89 h PHE 211 N 0.00 -0.10 0.00 0.00 -1.00 -1.25 -3.43 116.94 111.16 1p89 h PHE 211 Ca 0.10 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.88 1p89 h PHE 211 Cb 0.42 0.03 0.00 0.00 3.61 0.00 0.00 35.95 40.02 1p89 h PHE 211 CO 0.00 0.45 0.00 0.41 -1.61 0.00 0.00 178.31 177.56 1p89 n GLY 212 N 0.89 -0.04 3.36 -1.45 0.00 -0.48 -2.83 105.19 104.64 1p89 n GLY 212 Ca -0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 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 2.27 0.07 1.61 1.01 -0.30 -4.80 120.40 120.27 1p89 s VAL 213 Ca 0.00 -1.20 0.02 0.00 0.00 0.00 0.00 61.98 60.80 1p89 s VAL 213 Cb 0.00 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 1p89 s VAL 213 CO 0.00 0.46 -0.08 -1.61 0.00 0.00 0.00 175.10 173.88 1p89 s GLU 214 N -0.98 0.71 0.37 2.72 2.02 -1.26 -0.91 118.70 121.36 1p89 s GLU 214 Ca 0.11 -1.07 0.04 0.00 0.02 0.00 0.00 54.97 54.07 1p89 s GLU 214 Cb -0.10 -0.29 -0.04 0.00 0.10 0.00 0.00 34.13 33.80 1p89 s GLU 214 CO 0.01 0.03 0.12 0.96 0.02 0.00 0.00 175.26 176.39 1p89 s ILE 215 N -2.52 0.69 -0.15 -1.63 -5.25 -1.26 -4.42 121.20 106.66 1p89 s ILE 215 Ca 0.02 -2.00 -0.18 0.00 -0.99 0.00 0.00 60.65 57.49 1p89 s ILE 215 Cb -0.02 -2.47 -0.04 0.00 2.95 0.00 0.00 42.46 42.88 1p89 s ILE 215 CO -0.02 0.00 0.50 -0.70 -1.79 0.00 0.00 174.94 172.93 1p89 s GLU 216 N -3.78 4.28 -0.50 0.37 2.56 0.53 -4.96 118.70 117.20 1p89 s GLU 216 Ca 0.28 0.45 -0.14 0.00 0.00 0.00 0.00 54.97 55.57 1p89 s GLU 216 Cb 0.04 -3.49 0.11 0.00 2.00 0.00 0.00 34.13 32.79 1p89 s GLU 216 CO 0.15 0.02 0.42 0.54 -0.56 0.00 0.00 175.26 175.83 1p89 s ASN 217 N 0.86 6.01 0.81 -1.70 6.03 -1.26 -0.43 114.94 125.26 1p89 s ASN 217 Ca 0.26 -1.72 0.00 0.00 -1.03 0.00 0.00 52.86 50.37 1p89 s ASN 217 Cb -0.15 -2.14 0.00 0.00 -3.03 0.00 0.00 41.25 35.93 1p89 s ASN 217 CO 0.10 -0.75 0.00 0.00 -2.03 0.00 0.00 177.10 174.42 1p89 n GLN 218 N 5.13 -0.88 -0.64 3.55 1.13 -0.68 -4.75 117.38 120.25 1p89 n GLN 218 Ca -0.12 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 1.58 -1.44 0.00 0.00 177.06 177.20 1p89 n HIS 219 N -2.28 0.00 -1.55 1.08 -0.00 -1.26 -4.50 115.22 106.70 1p89 n HIS 219 Ca 0.00 -0.99 -0.19 0.00 -0.00 0.00 0.00 57.72 56.54 1p89 n HIS 219 Cb 0.00 -1.08 -0.08 0.00 -0.00 0.00 0.00 29.99 28.82 1p89 n HIS 219 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1p89 n TYR 220 N 2.45 -0.06 -0.01 1.57 4.01 -1.26 -4.74 117.16 119.11 1p89 n TYR 220 Ca 0.24 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 58.00 1p89 n TYR 220 Cb 0.59 -3.31 -0.06 0.00 -0.31 0.00 0.00 39.34 36.25 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 -2.21 0.85 -3.76 -0.72 1.13 -1.26 -4.80 117.38 106.61 1p89 n GLN 221 Ca -0.19 -0.06 -0.13 0.00 -1.94 0.00 0.00 57.00 54.68 1p89 n GLN 221 Cb 0.64 -1.19 -0.10 0.00 0.11 0.00 0.00 30.24 29.70 1p89 n GLN 221 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1p89 s GLN 222 N -2.47 0.44 -0.46 -1.09 -0.21 -1.26 0.23 119.66 114.84 1p89 s GLN 222 Ca -0.03 0.34 -0.03 0.00 0.02 0.00 0.00 55.36 55.66 1p89 s GLN 222 Cb 0.04 0.21 0.12 0.00 1.00 0.00 0.00 33.01 34.38 1p89 s GLN 222 CO 0.33 -0.07 0.26 -0.06 -2.12 0.00 0.00 175.29 173.63 1p89 s PHE 223 N -0.11 3.54 -0.45 0.91 0.40 1.05 -1.69 117.98 121.63 1p89 s PHE 223 Ca -0.03 -2.48 -0.28 0.00 -0.60 0.00 0.00 56.93 53.55 1p89 s PHE 223 Cb -0.03 -3.22 0.03 0.00 0.51 0.00 0.00 43.02 40.30 1p89 s PHE 223 CO 0.01 -0.94 1.05 0.08 0.70 0.00 0.00 175.22 176.12 1p89 s VAL 224 N 0.86 4.34 -0.39 -0.44 1.01 0.43 -1.77 120.40 124.45 1p89 s VAL 224 Ca 0.10 1.11 -0.16 0.00 0.00 0.00 0.00 61.98 63.04 1p89 s VAL 224 Cb -0.22 -4.52 0.01 0.00 0.00 0.00 0.00 36.38 31.65 1p89 s VAL 224 CO -0.04 -0.88 0.36 0.68 0.00 0.00 0.00 175.10 175.22 1p89 s VAL 225 N 4.10 5.17 -0.41 2.92 -7.23 0.26 0.20 120.40 125.41 1p89 s VAL 225 Ca 0.44 -0.29 -0.27 0.00 -1.81 0.00 0.00 61.98 60.04 1p89 s VAL 225 Cb -0.09 -3.92 -0.05 0.00 0.56 0.00 0.00 36.38 32.89 1p89 s VAL 225 CO 0.28 -0.26 2.15 -0.54 -0.31 0.00 0.00 175.10 176.42 1p89 s LYS 226 N 1.95 2.68 0.89 4.82 3.01 -1.26 -1.35 119.74 130.48 1p89 s LYS 226 Ca 0.10 1.43 -0.12 0.00 -1.01 0.00 0.00 55.97 56.37 1p89 s LYS 226 Cb -0.17 -4.43 0.10 0.00 -1.01 0.00 0.00 37.83 32.32 1p89 s LYS 226 CO 0.12 -2.63 0.97 0.41 0.51 0.00 0.00 175.35 174.73 1p89 n GLY 227 N 5.79 -0.69 1.53 -3.33 0.00 -1.24 -3.59 105.19 103.66 1p89 n GLY 227 Ca 0.30 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 0.67 0.64 3.81 -0.02 0.00 0.17 -4.70 105.19 105.76 1p89 n GLY 228 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1p89 n GLY 228 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1p89 s GLN 229 N -0.25 -0.19 -0.30 1.61 -1.52 0.34 -4.93 119.66 114.42 1p89 s GLN 229 Ca 0.00 -0.34 -0.12 0.00 -1.95 0.00 0.00 55.36 52.94 1p89 s GLN 229 Cb 0.00 -1.74 0.18 0.00 -0.22 0.00 0.00 33.01 31.23 1p89 s GLN 229 CO 0.00 -2.98 1.05 -1.12 -0.25 0.00 0.00 175.29 171.99 1p89 s SER 230 N -4.57 -0.44 0.69 5.90 0.01 -1.26 -4.23 113.70 109.80 1p89 s SER 230 Ca 0.74 0.19 -0.17 0.00 1.31 0.00 0.00 55.95 58.02 1p89 s SER 230 Cb -0.05 1.33 -0.02 0.00 0.21 0.00 0.00 66.02 67.50 1p89 s SER 230 CO 0.54 -0.08 0.90 -1.22 0.41 0.00 0.00 173.24 173.79 1p89 n TYR 231 N 5.35 0.49 -5.08 2.43 4.01 -1.25 -4.67 117.16 118.44 1p89 n TYR 231 Ca -0.01 0.40 -0.28 0.00 -0.16 0.00 0.00 57.90 57.84 1p89 n TYR 231 Cb 0.55 -2.07 -0.16 0.00 -0.31 0.00 0.00 39.34 37.35 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 -3.08 1.93 -0.85 -0.72 -2.07 -1.13 0.05 119.66 113.79 1p89 s GLN 232 Ca 0.73 -0.78 -0.26 0.00 -1.82 0.00 0.00 55.36 53.23 1p89 s GLN 232 Cb -0.37 -1.78 -0.19 0.00 -1.09 0.00 0.00 33.01 29.58 1p89 s GLN 232 CO 0.50 0.42 2.54 0.45 -1.32 0.00 0.00 175.29 177.88 1p89 n SER 233 N 2.71 0.69 0.22 12.60 2.88 -1.08 -4.36 113.62 127.29 1p89 n SER 233 Ca -0.16 -0.21 0.05 0.00 -1.33 0.00 0.00 58.87 57.22 1p89 n SER 233 Cb 0.52 -1.09 0.49 0.00 -0.75 0.00 0.00 64.21 63.38 1p89 n SER 233 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1p89 h PRO 234 N 13.94 0.00 0.00 -1.46 0.13 -1.83 -3.49 132.00 139.29 1p89 h PRO 234 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1p89 h PRO 234 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1p89 h PRO 234 CO 1.34 0.23 0.00 0.41 -0.23 0.00 0.00 178.00 179.74 1p89 n GLY 235 N -0.81 0.23 3.59 1.56 0.00 -1.26 -4.96 105.19 103.53 1p89 n GLY 235 Ca -0.02 -1.34 -0.41 0.00 0.00 0.00 0.00 46.02 44.24 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 4.95 -0.12 2.61 2.01 -1.26 0.90 115.64 124.73 1p89 s THR 236 Ca 0.00 0.76 0.03 0.00 0.31 0.00 0.00 61.69 62.78 1p89 s THR 236 Cb 0.00 -3.99 0.01 0.00 0.01 0.00 0.00 72.50 68.53 1p89 s THR 236 CO 0.00 -0.15 -0.20 -0.47 -0.69 0.00 0.00 174.62 173.10 1p89 s TYR 237 N 2.57 2.41 -0.28 4.92 5.04 0.29 -4.92 117.35 127.39 1p89 s TYR 237 Ca 0.24 -1.13 -0.19 0.00 -2.44 0.00 0.00 57.07 53.55 1p89 s TYR 237 Cb -0.15 -1.66 -0.02 0.00 0.35 0.00 0.00 41.96 40.48 1p89 s TYR 237 CO 0.12 -0.52 0.56 -1.17 -1.34 0.00 0.00 175.55 173.21 1p89 s LEU 238 N 0.73 4.10 0.00 6.97 2.96 -1.26 -0.26 118.68 131.92 1p89 s LEU 238 Ca -0.10 0.50 0.00 0.00 -0.22 0.00 0.00 54.13 54.30 1p89 s LEU 238 Cb -0.16 -2.73 0.00 0.00 0.50 0.00 0.00 46.19 43.80 1p89 s LEU 238 CO 0.01 -0.36 0.54 0.52 -1.32 0.00 0.00 176.35 175.74 1p89 n VAL 239 N 5.24 0.00 -0.65 1.68 0.31 0.35 -4.84 118.33 120.41 1p89 n VAL 239 Ca -0.03 1.04 0.00 0.00 -0.01 0.00 0.00 64.34 65.35 1p89 n VAL 239 Cb 0.49 -1.83 0.00 0.00 -0.91 0.00 0.00 33.84 31.60 1p89 n VAL 239 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72