#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 -0.74 4.04 7.08 -1.91 -3.02 115.58 121.04 1p89 h ASN 26 Ca 0.00 0.00 -0.03 0.00 -3.08 0.00 0.00 56.30 53.19 1p89 h ASN 26 Cb 0.00 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 36.21 1p89 h ASN 26 CO 0.00 0.58 0.34 0.03 -2.08 0.00 0.00 177.43 176.30 1p89 h ARG 27 N 0.00 1.09 0.08 4.14 3.08 -2.00 -1.39 114.38 119.38 1p89 h ARG 27 Ca -0.01 -0.16 -0.25 0.00 0.07 0.00 0.00 59.98 59.63 1p89 h ARG 27 Cb 1.39 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 31.25 1p89 h ARG 27 CO 0.08 0.85 -1.12 0.00 -1.07 0.00 0.00 179.97 178.71 1p89 h ALA 28 N 1.30 0.21 0.29 0.04 0.00 -1.98 -2.23 119.26 116.90 1p89 h ALA 28 Ca 0.26 -0.82 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 1p89 h ALA 28 Cb 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1p89 h ALA 28 CO -0.03 0.94 -0.14 -0.07 0.00 0.00 0.00 179.25 179.95 1p89 h LEU 29 N 0.11 -0.33 -0.24 0.00 3.38 -1.35 0.13 115.31 117.01 1p89 h LEU 29 Ca -0.11 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 1p89 h LEU 29 Cb 1.82 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.65 1p89 h LEU 29 CO 0.18 -0.14 -0.08 0.25 0.09 0.00 0.00 178.44 178.74 1p89 h LEU 30 N -0.51 0.49 -1.52 1.67 5.85 -1.38 -1.62 115.31 118.29 1p89 h LEU 30 Ca -0.04 -0.38 0.03 0.00 0.84 0.00 0.00 57.88 58.33 1p89 h LEU 30 Cb 0.38 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 1p89 h LEU 30 CO 0.07 0.76 0.36 -0.07 -0.34 0.00 0.00 178.44 179.22 1p89 h LEU 31 N 0.21 0.54 -0.46 2.25 3.38 -1.38 -0.95 115.31 118.91 1p89 h LEU 31 Ca 0.06 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.86 1p89 h LEU 31 Cb 0.56 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1p89 h LEU 31 CO 0.03 0.37 -0.77 0.00 0.09 0.00 0.00 178.44 178.16 1p89 h ALA 32 N 1.69 0.73 -0.10 1.53 0.00 -0.56 -2.72 119.26 119.82 1p89 h ALA 32 Ca 0.22 -0.70 -0.12 0.00 0.00 0.00 0.00 54.91 54.31 1p89 h ALA 32 Cb 0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1p89 h ALA 32 CO -0.06 0.96 -0.46 0.00 0.00 0.00 0.00 179.25 179.70 1p89 h ALA 33 N 1.22 1.04 0.00 0.00 0.00 -0.19 -2.77 119.26 118.57 1p89 h ALA 33 Ca -0.01 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1p89 h ALA 33 Cb 1.37 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1p89 h ALA 33 CO 0.10 0.62 -0.47 1.28 0.00 0.00 0.00 179.25 180.78 1p89 n LEU 34 N -3.99 0.53 -4.89 0.00 4.77 -0.82 0.21 117.00 112.81 1p89 n LEU 34 Ca -0.02 0.17 -0.29 0.00 -0.03 0.00 0.00 56.01 55.84 1p89 n LEU 34 Cb 0.51 -0.26 0.03 0.00 -2.33 0.00 0.00 43.42 41.38 1p89 n LEU 34 CO 0.42 0.03 0.67 0.00 -1.33 0.00 0.00 177.39 177.19 1p89 s ALA 35 N -3.07 3.06 -0.65 -1.18 0.00 -1.03 -3.33 121.76 115.55 1p89 s ALA 35 Ca 0.09 -0.41 -0.17 0.00 0.00 0.00 0.00 51.96 51.48 1p89 s ALA 35 Cb 0.16 -2.90 0.14 0.00 0.00 0.00 0.00 23.12 20.52 1p89 s ALA 35 CO 0.68 -0.95 0.68 -1.01 0.00 0.00 0.00 175.76 175.16 1p89 s HIS 36 N -3.21 3.27 0.00 0.00 3.76 0.12 -0.79 115.29 118.44 1p89 s HIS 36 Ca 0.56 -1.34 0.00 0.00 -0.15 0.00 0.00 55.06 54.13 1p89 s HIS 36 Cb -0.11 -3.91 0.00 0.00 1.11 0.00 0.00 32.58 29.67 1p89 s HIS 36 CO 0.50 -1.14 0.00 0.41 -0.85 0.00 0.00 174.74 173.66 1p89 n GLY 37 N 4.99 3.43 3.74 -2.22 0.00 -1.24 -2.43 105.19 111.46 1p89 n GLY 37 Ca -0.04 -1.63 -0.41 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 -4.54 4.30 0.13 1.61 2.20 -1.25 -2.52 119.74 119.67 1p89 s LYS 38 Ca 0.00 2.23 0.06 0.00 -0.36 0.00 0.00 55.97 57.90 1p89 s LYS 38 Cb 0.00 -3.13 -0.04 0.00 -1.51 0.00 0.00 37.83 33.15 1p89 s LYS 38 CO 0.00 -0.37 -0.14 0.99 -0.36 0.00 0.00 175.35 175.46 1p89 s THR 39 N 0.04 1.39 -0.08 3.43 2.01 0.65 -4.65 115.64 118.42 1p89 s THR 39 Ca 0.59 -1.75 -0.05 0.00 0.31 0.00 0.00 61.69 60.79 1p89 s THR 39 Cb -0.40 -1.58 -0.04 0.00 0.01 0.00 0.00 72.50 70.49 1p89 s THR 39 CO 0.42 -0.41 0.11 -0.69 -0.69 0.00 0.00 174.62 173.36 1p89 s VAL 40 N -2.16 5.17 -0.21 3.82 1.01 0.30 -0.08 120.40 128.25 1p89 s VAL 40 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.07 1p89 s VAL 40 Cb -0.05 -3.28 0.05 0.00 0.00 0.00 0.00 36.38 33.11 1p89 s VAL 40 CO 0.03 0.54 -0.05 -1.48 0.00 0.00 0.00 175.10 174.14 1p89 s LEU 41 N -1.23 2.21 0.37 3.92 2.34 0.45 0.10 118.68 126.84 1p89 s LEU 41 Ca 0.18 -1.01 0.07 0.00 0.06 0.00 0.00 54.13 53.43 1p89 s LEU 41 Cb -0.12 -1.07 -0.02 0.00 -0.56 0.00 0.00 46.19 44.42 1p89 s LEU 41 CO 0.07 -0.22 0.38 0.28 -1.06 0.00 0.00 176.35 175.80 1p89 s THR 42 N 1.49 3.24 -1.39 5.48 -1.32 0.16 0.90 115.64 124.20 1p89 s THR 42 Ca -0.04 -1.26 0.00 0.00 -1.21 0.00 0.00 61.69 59.19 1p89 s THR 42 Cb -0.18 -3.13 0.00 0.00 -1.51 0.00 0.00 72.50 67.68 1p89 s THR 42 CO -0.07 -0.09 0.00 -3.20 -2.21 0.00 0.00 174.62 169.05 1p89 n ASN 43 N -1.53 -4.57 -4.66 8.08 5.15 0.73 0.11 115.26 118.58 1p89 n ASN 43 Ca 0.02 0.31 -0.33 0.00 -0.60 0.00 0.00 54.58 53.98 1p89 n ASN 43 Cb 0.60 -3.25 0.14 0.00 -0.53 0.00 0.00 39.78 36.74 1p89 n ASN 43 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1p89 n LEU 44 N -1.52 3.66 -4.54 1.20 7.94 0.28 -3.88 117.00 120.15 1p89 n LEU 44 Ca -0.13 0.52 -0.41 0.00 -1.11 0.00 0.00 56.01 54.88 1p89 n LEU 44 Cb 0.44 -1.47 -0.08 0.00 0.53 0.00 0.00 43.42 42.84 1p89 n LEU 44 CO 0.20 -2.01 0.14 -0.22 -1.11 0.00 0.00 177.39 174.39 1p89 s LEU 45 N -5.41 4.45 -1.04 -1.96 2.96 -1.26 -4.36 118.68 112.06 1p89 s LEU 45 Ca 0.70 -0.20 -0.07 0.00 -0.22 0.00 0.00 54.13 54.35 1p89 s LEU 45 Cb -0.27 -2.47 -0.07 0.00 0.50 0.00 0.00 46.19 43.88 1p89 s LEU 45 CO 0.54 -0.45 2.36 -0.90 -1.32 0.00 0.00 176.35 176.58 1p89 n ASP 46 N 5.60 5.82 -0.54 3.68 5.75 -1.23 -4.58 116.55 131.05 1p89 n ASP 46 Ca -0.07 -2.37 0.00 0.00 -0.01 0.00 0.00 54.79 52.34 1p89 n ASP 46 Cb 0.49 -1.20 0.00 0.00 -1.03 0.00 0.00 41.12 39.37 1p89 n ASP 46 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1p89 n SER 47 N 3.94 1.59 -0.01 -1.12 3.41 -1.26 -5.05 113.62 115.12 1p89 n SER 47 Ca 0.52 -0.27 0.05 0.00 -0.26 0.00 0.00 58.87 58.92 1p89 n SER 47 Cb 0.19 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.00 1p89 n SER 47 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1p89 n ASP 48 N -0.38 0.18 0.21 4.04 8.00 -1.26 -3.18 116.55 124.15 1p89 n ASP 48 Ca 0.00 0.07 0.09 0.00 0.71 0.00 0.00 54.79 55.66 1p89 n ASP 48 Cb 0.00 1.43 0.37 0.00 -0.02 0.00 0.00 41.12 42.89 1p89 n ASP 48 CO 0.00 0.00 0.00 -2.24 -0.39 0.00 0.00 177.20 174.57 1p89 h ASP 49 N 0.00 0.00 0.00 -2.24 2.03 -1.91 -2.57 116.42 111.73 1p89 h ASP 49 Ca -0.14 0.00 -0.10 0.00 -0.73 0.00 0.00 57.03 56.06 1p89 h ASP 49 Cb 1.34 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.82 1p89 h ASP 49 CO 0.01 0.27 -0.79 0.58 -1.03 0.00 0.00 179.24 178.28 1p89 h VAL 50 N 0.00 0.47 -0.82 4.15 2.07 -1.81 -3.14 116.25 117.17 1p89 h VAL 50 Ca -0.00 -1.57 0.24 0.00 0.82 0.00 0.00 66.70 66.18 1p89 h VAL 50 Cb 0.87 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 1p89 h VAL 50 CO 0.03 0.16 0.62 0.08 0.02 0.00 0.00 177.57 178.48 1p89 h ARG 51 N -1.00 0.00 -0.24 1.57 0.11 -1.64 1.47 114.38 114.65 1p89 h ARG 51 Ca -0.15 0.00 -0.17 0.00 0.10 0.00 0.00 59.98 59.76 1p89 h ARG 51 Cb 0.85 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.92 1p89 h ARG 51 CO -0.09 0.00 -0.54 0.45 0.10 0.00 0.00 179.97 179.89 1p89 h HIS 52 N 0.00 0.88 0.09 4.08 3.86 -1.60 0.94 115.15 123.41 1p89 h HIS 52 Ca 0.39 -0.31 -0.00 0.00 -1.16 0.00 0.00 60.37 59.29 1p89 h HIS 52 Cb 1.62 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 29.92 1p89 h HIS 52 CO 0.00 1.08 -0.05 1.98 0.86 0.00 0.00 177.93 181.81 1p89 h MET 53 N 0.54 -0.12 -0.22 2.45 1.85 0.19 0.32 114.93 119.95 1p89 h MET 53 Ca 0.01 0.01 -0.01 0.00 -0.61 0.00 0.00 59.70 59.11 1p89 h MET 53 Cb 1.11 0.03 -0.01 0.00 0.43 0.00 0.00 31.60 33.16 1p89 h MET 53 CO 0.11 0.09 0.11 -0.07 -0.40 0.00 0.00 176.91 176.75 1p89 h LEU 54 N -0.32 0.29 -2.17 3.39 4.07 -0.65 -1.00 115.31 118.91 1p89 h LEU 54 Ca -0.01 -0.11 0.07 0.00 0.08 0.00 0.00 57.88 57.91 1p89 h LEU 54 Cb 0.27 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 41.92 1p89 h LEU 54 CO 0.02 0.31 0.24 -1.13 -1.08 0.00 0.00 178.44 176.80 1p89 h ASN 55 N 0.24 0.00 -0.04 -0.43 -0.00 0.11 -1.13 115.58 114.34 1p89 h ASN 55 Ca 0.08 0.00 -0.09 0.00 -0.00 0.00 0.00 56.30 56.29 1p89 h ASN 55 Cb 0.10 0.00 0.01 0.00 -0.00 0.00 0.00 38.32 38.42 1p89 h ASN 55 CO -0.01 0.00 -0.32 0.00 -0.00 0.00 0.00 177.43 177.10 1p89 h ALA 56 N 1.74 0.09 -0.02 1.57 0.00 0.97 -3.01 119.26 120.60 1p89 h ALA 56 Ca 0.11 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1p89 h ALA 56 Cb 0.58 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1p89 h ALA 56 CO -0.00 0.16 -0.01 -0.07 0.00 0.00 0.00 179.25 179.33 1p89 h LEU 57 N -0.26 0.04 -1.85 0.00 3.38 -0.70 -2.81 115.31 113.10 1p89 h LEU 57 Ca -0.03 -0.41 0.29 0.00 0.09 0.00 0.00 57.88 57.81 1p89 h LEU 57 Cb 1.00 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.69 1p89 h LEU 57 CO 0.06 0.45 0.72 0.00 0.09 0.00 0.00 178.44 179.76 1p89 h THR 58 N -0.36 0.51 0.22 0.22 1.03 -1.37 0.22 112.91 113.37 1p89 h THR 58 Ca 0.00 -0.03 -0.01 0.00 -0.01 0.00 0.00 66.41 66.36 1p89 h THR 58 Cb 0.43 0.40 -0.00 0.00 -1.07 0.00 0.00 68.15 67.91 1p89 h THR 58 CO 0.00 0.02 -0.12 0.00 -0.01 0.00 0.00 175.52 175.41 1p89 h ALA 59 N 1.52 -0.31 0.00 0.00 0.00 -1.35 -1.74 119.26 117.38 1p89 h ALA 59 Ca 0.51 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.30 1p89 h ALA 59 Cb 1.83 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.75 1p89 h ALA 59 CO -0.07 -0.68 -0.23 -0.07 0.00 0.00 0.00 179.25 178.20 1p89 h LEU 60 N -0.32 0.00 0.00 0.00 4.07 -0.64 -3.46 115.31 114.97 1p89 h LEU 60 Ca -0.03 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.93 1p89 h LEU 60 Cb 0.25 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.99 1p89 h LEU 60 CO 0.04 0.23 0.00 0.61 -1.08 0.00 0.00 178.44 178.24 1p89 n GLY 61 N -0.72 0.22 3.61 0.83 0.00 -0.05 -4.73 105.19 104.36 1p89 n GLY 61 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 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 2.92 -3.89 1.61 0.31 -0.45 -4.87 118.33 113.97 1p89 n VAL 62 Ca 0.00 -0.39 -0.35 0.00 -0.01 0.00 0.00 64.34 63.59 1p89 n VAL 62 Cb 0.00 -1.11 -0.13 0.00 -0.91 0.00 0.00 33.84 31.69 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 -1.60 4.96 0.17 4.52 0.01 -1.26 -3.96 113.70 116.53 1p89 s SER 63 Ca 0.74 -1.36 0.07 0.00 1.31 0.00 0.00 55.95 56.71 1p89 s SER 63 Cb -0.35 -1.73 -0.04 0.00 0.21 0.00 0.00 66.02 64.10 1p89 s SER 63 CO 0.50 -0.30 -0.15 -0.72 0.41 0.00 0.00 173.24 172.98 1p89 s TYR 64 N 1.24 1.65 -0.20 2.43 -0.85 -1.25 0.93 117.35 121.31 1p89 s TYR 64 Ca -0.03 -0.54 -0.05 0.00 -0.52 0.00 0.00 57.07 55.93 1p89 s TYR 64 Cb -0.20 -0.81 0.10 0.00 0.38 0.00 0.00 41.96 41.42 1p89 s TYR 64 CO -0.01 0.28 0.36 0.99 -1.52 0.00 0.00 175.55 175.65 1p89 s THR 65 N -2.45 -0.57 0.84 -3.49 2.01 -0.80 -4.88 115.64 106.30 1p89 s THR 65 Ca 0.16 0.11 -0.09 0.00 0.31 0.00 0.00 61.69 62.19 1p89 s THR 65 Cb -0.03 -0.66 0.16 0.00 0.01 0.00 0.00 72.50 71.98 1p89 s THR 65 CO 0.05 0.01 1.16 -0.76 -0.69 0.00 0.00 174.62 174.40 1p89 s LEU 66 N 2.54 2.83 0.82 4.42 2.01 -1.25 -0.33 118.68 129.72 1p89 s LEU 66 Ca 0.04 -0.00 -0.06 0.00 0.01 0.00 0.00 54.13 54.11 1p89 s LEU 66 Cb -0.13 -2.21 0.16 0.00 0.01 0.00 0.00 46.19 44.03 1p89 s LEU 66 CO -0.13 -2.28 1.12 -0.55 1.01 0.00 0.00 176.35 175.53 1p89 s SER 67 N -4.80 3.82 0.17 2.29 0.15 0.68 -4.85 113.70 111.17 1p89 s SER 67 Ca 0.70 -0.22 0.15 0.00 0.70 0.00 0.00 55.95 57.28 1p89 s SER 67 Cb -0.05 0.00 0.73 0.00 -1.71 0.00 0.00 66.02 65.00 1p89 s SER 67 CO 0.49 -2.23 1.47 0.00 1.20 0.00 0.00 173.24 174.16 1p89 n ALA 68 N -3.19 1.27 0.07 5.45 0.00 -1.26 -1.13 120.51 121.73 1p89 n ALA 68 Ca 0.16 0.08 0.01 0.00 0.00 0.00 0.00 53.44 53.69 1p89 n ALA 68 Cb 0.60 -1.24 0.02 0.00 0.00 0.00 0.00 19.45 18.83 1p89 n ALA 68 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1p89 n ASP 69 N -1.93 1.49 -3.33 0.00 2.03 -1.26 -5.00 116.55 108.55 1p89 n ASP 69 Ca 0.01 -1.35 -0.19 0.00 0.52 0.00 0.00 54.79 53.78 1p89 n ASP 69 Cb 0.09 -0.01 0.08 0.00 -0.72 0.00 0.00 41.12 40.56 1p89 n ASP 69 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1p89 n ARG 70 N 0.05 -6.89 0.00 -0.67 1.74 -0.29 -4.71 116.66 105.90 1p89 n ARG 70 Ca 0.02 0.78 0.00 0.00 -0.77 0.00 0.00 57.85 57.88 1p89 n ARG 70 Cb 0.13 -5.65 0.00 0.00 -1.02 0.00 0.00 32.46 25.92 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 -4.43 0.00 -3.58 0.55 -2.24 -1.26 -3.55 114.28 99.77 1p89 n THR 71 Ca -0.12 -0.34 -0.24 0.00 -2.27 0.00 0.00 64.05 61.09 1p89 n THR 71 Cb 0.60 1.24 -0.16 0.00 -2.10 0.00 0.00 70.33 69.91 1p89 n THR 71 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1p89 s ARG 72 N -0.17 0.09 0.11 -0.78 1.04 -1.24 0.26 118.95 118.25 1p89 s ARG 72 Ca 0.00 -0.00 0.08 0.00 -1.04 0.00 0.00 55.73 54.77 1p89 s ARG 72 Cb 0.00 -1.65 -0.04 0.00 -2.04 0.00 0.00 34.95 31.22 1p89 s ARG 72 CO 0.00 -0.66 -0.14 0.00 -0.04 0.00 0.00 175.30 174.46 1p89 s GLU 74 N -2.16 1.96 -0.13 0.00 2.02 0.55 0.17 118.70 121.12 1p89 s GLU 74 Ca 0.19 -1.68 -0.13 0.00 0.02 0.00 0.00 54.97 53.37 1p89 s GLU 74 Cb -0.11 -3.34 -0.05 0.00 0.10 0.00 0.00 34.13 30.73 1p89 s GLU 74 CO 0.12 -0.90 0.30 0.42 0.02 0.00 0.00 175.26 175.21 1p89 s ILE 75 N 1.10 5.29 -0.53 -1.63 1.09 0.89 -1.91 121.20 125.48 1p89 s ILE 75 Ca 0.05 0.56 -0.27 0.00 -1.10 0.00 0.00 60.65 59.89 1p89 s ILE 75 Cb -0.21 -3.62 0.03 0.00 -1.06 0.00 0.00 42.46 37.60 1p89 s ILE 75 CO -0.05 0.44 1.09 -0.63 -0.10 0.00 0.00 174.94 175.69 1p89 s ILE 76 N 0.08 4.20 -0.26 2.92 -1.09 0.27 -0.26 121.20 127.07 1p89 s ILE 76 Ca 0.17 0.82 -0.33 0.00 -2.23 0.00 0.00 60.65 59.08 1p89 s ILE 76 Cb -0.13 -4.62 -0.10 0.00 -1.58 0.00 0.00 42.46 36.03 1p89 s ILE 76 CO 0.05 -1.15 2.12 0.61 -1.23 0.00 0.00 174.94 175.34 1p89 n GLY 77 N 5.01 0.86 0.23 6.18 0.00 -1.05 -4.43 105.19 112.00 1p89 n GLY 77 Ca 0.07 0.88 0.16 0.00 0.00 0.00 0.00 46.02 47.13 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 12.20 0.00 0.00 1.61 -0.26 0.27 -3.29 115.58 126.11 1p89 h ASN 78 Ca -0.36 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.38 1p89 h ASN 78 Cb 1.29 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.55 1p89 h ASN 78 CO 0.99 0.00 0.00 0.61 -1.06 0.00 0.00 177.43 177.97 1p89 n GLY 79 N -1.04 3.09 0.00 2.83 0.00 0.03 -4.88 105.19 105.21 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 -1.67 5.55 3.89 -0.02 0.00 -1.21 -4.63 105.19 107.10 1p89 n GLY 80 Ca 0.00 -1.06 -0.29 0.00 0.00 0.00 0.00 46.02 44.66 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 3.54 2.21 -0.85 1.61 0.02 -1.26 -3.48 135.00 136.78 1p89 s PRO 81 Ca 0.00 0.21 -0.25 0.00 0.02 0.00 0.00 61.00 60.98 1p89 s PRO 81 Cb 0.00 -1.97 -0.07 0.00 0.02 0.00 0.00 34.50 32.48 1p89 s PRO 81 CO 0.00 -1.44 2.08 -0.51 -0.33 0.00 0.00 177.00 176.80 1p89 s LEU 82 N -5.52 3.09 -0.27 -5.54 2.01 -1.25 -4.87 118.68 106.33 1p89 s LEU 82 Ca 0.61 -0.40 -0.27 0.00 0.01 0.00 0.00 54.13 54.08 1p89 s LEU 82 Cb -0.11 -2.55 0.01 0.00 0.01 0.00 0.00 46.19 43.54 1p89 s LEU 82 CO 0.50 -3.06 0.95 -1.00 1.01 0.00 0.00 176.35 174.75 1p89 s HIS 83 N 11.43 3.27 -0.19 0.29 3.76 -1.26 -4.35 115.29 128.24 1p89 s HIS 83 Ca 0.77 1.21 -0.04 0.00 -0.15 0.00 0.00 55.06 56.85 1p89 s HIS 83 Cb -0.09 -3.29 0.08 0.00 1.11 0.00 0.00 32.58 30.39 1p89 s HIS 83 CO 0.03 -0.53 0.20 0.00 -0.85 0.00 0.00 174.74 173.59 1p89 s ALA 84 N 3.16 -0.19 -0.60 -1.40 0.00 -1.26 -4.75 121.76 116.72 1p89 s ALA 84 Ca 0.40 0.24 -0.01 0.00 0.00 0.00 0.00 51.96 52.58 1p89 s ALA 84 Cb -0.14 -1.23 0.15 0.00 0.00 0.00 0.00 23.12 21.90 1p89 s ALA 84 CO 0.09 -1.13 0.39 -2.00 0.00 0.00 0.00 175.76 173.12 1p89 s GLU 85 N 2.30 2.42 0.00 0.00 2.12 -1.26 -1.40 118.70 122.89 1p89 s GLU 85 Ca 0.06 -2.52 0.00 0.00 0.36 0.00 0.00 54.97 52.87 1p89 s GLU 85 Cb -0.15 -3.64 0.00 0.00 0.26 0.00 0.00 34.13 30.59 1p89 s GLU 85 CO -0.11 -1.16 0.06 0.41 -0.54 0.00 0.00 175.26 173.93 1p89 n GLY 86 N 3.45 -0.03 3.58 -1.50 0.00 -1.26 -4.97 105.19 104.46 1p89 n GLY 86 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.13 -2.67 4.61 0.00 -0.87 -4.93 120.51 114.52 1p89 n ALA 87 Ca -0.01 -0.11 -0.41 0.00 0.00 0.00 0.00 53.44 52.91 1p89 n ALA 87 Cb 0.11 -2.76 -0.04 0.00 0.00 0.00 0.00 19.45 16.76 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 -6.41 4.36 -0.14 0.00 2.96 0.16 -4.73 118.68 114.87 1p89 s LEU 88 Ca 0.11 1.48 -0.02 0.00 -0.22 0.00 0.00 54.13 55.48 1p89 s LEU 88 Cb -0.02 -3.37 -0.02 0.00 0.50 0.00 0.00 46.19 43.27 1p89 s LEU 88 CO 0.79 -0.18 -0.09 -0.70 -1.32 0.00 0.00 176.35 174.85 1p89 s GLU 89 N 0.81 3.51 0.18 1.98 2.12 -1.25 0.12 118.70 126.17 1p89 s GLU 89 Ca 0.46 -0.61 0.09 0.00 0.36 0.00 0.00 54.97 55.26 1p89 s GLU 89 Cb -0.20 -2.76 -0.04 0.00 0.26 0.00 0.00 34.13 31.39 1p89 s GLU 89 CO 0.24 0.22 -0.09 -0.51 -0.54 0.00 0.00 175.26 174.59 1p89 s LEU 90 N 0.36 3.01 -0.32 2.70 1.43 0.82 -4.88 118.68 121.81 1p89 s LEU 90 Ca -0.08 -0.56 0.03 0.00 -1.03 0.00 0.00 54.13 52.50 1p89 s LEU 90 Cb -0.15 -1.69 0.09 0.00 0.03 0.00 0.00 46.19 44.47 1p89 s LEU 90 CO 0.04 0.10 0.02 0.12 0.23 0.00 0.00 176.35 176.87 1p89 s PHE 91 N -1.70 3.49 -2.07 0.29 2.19 -1.26 0.11 117.98 119.03 1p89 s PHE 91 Ca 0.25 -2.75 0.13 0.00 0.33 0.00 0.00 56.93 54.89 1p89 s PHE 91 Cb -0.09 -2.61 0.43 0.00 -1.31 0.00 0.00 43.02 39.44 1p89 s PHE 91 CO 0.15 -0.93 1.34 1.28 1.83 0.00 0.00 175.22 178.90 1p89 n LEU 92 N 4.34 1.74 0.00 6.12 7.99 -0.42 -4.92 117.00 131.85 1p89 n LEU 92 Ca -0.00 -0.84 0.00 0.00 -0.01 0.00 0.00 56.01 55.16 1p89 n LEU 92 Cb 0.42 -0.19 0.00 0.00 -0.11 0.00 0.00 43.42 43.54 1p89 n LEU 92 CO 0.21 0.42 0.00 0.61 -1.51 0.00 0.00 177.39 177.12 1p89 n GLY 93 N 1.06 1.45 2.63 -0.72 0.00 -1.26 -2.11 105.19 106.25 1p89 n GLY 93 Ca 0.13 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.42 1p89 n GLY 93 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1p89 n ASN 94 N -1.95 7.00 0.00 1.61 2.85 -1.26 -3.02 115.26 120.49 1p89 n ASN 94 Ca 0.00 -3.42 0.00 0.00 -0.11 0.00 0.00 54.58 51.05 1p89 n ASN 94 Cb 0.00 -1.19 0.00 0.00 1.24 0.00 0.00 39.78 39.83 1p89 n ASN 94 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1p89 n ALA 95 N 0.47 0.00 0.00 5.20 0.00 -0.90 -4.91 120.51 120.38 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 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 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 1.98 2.94 0.13 0.00 0.00 -1.26 -4.74 105.19 104.24 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 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 -4.30 114.28 108.29 1p89 n THR 97 Ca 0.00 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 1p89 n THR 97 Cb 0.00 0.70 0.00 0.00 -1.82 0.00 0.00 70.33 69.21 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 -1.10 1.25 0.15 2.41 0.00 -1.26 -4.67 120.51 117.30 1p89 n ALA 98 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.38 1p89 n ALA 98 Cb 0.36 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.73 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 -0.38 0.29 0.00 -1.53 -1.91 -1.11 114.93 110.29 1p89 h MET 99 Ca 0.00 0.03 -0.01 0.00 -3.44 0.00 0.00 59.70 56.28 1p89 h MET 99 Cb 0.00 0.09 -0.00 0.00 -0.55 0.00 0.00 31.60 31.13 1p89 h MET 99 CO 0.00 -0.05 -0.17 0.00 0.14 0.00 0.00 176.91 176.82 1p89 h ARG 100 N -0.78 -0.43 -0.28 0.39 -0.00 -1.84 0.39 114.38 111.83 1p89 h ARG 100 Ca -0.04 0.03 0.00 0.00 -0.50 0.00 0.00 59.98 59.47 1p89 h ARG 100 Cb 0.51 0.10 -0.01 0.00 0.00 0.00 0.00 29.97 30.56 1p89 h ARG 100 CO 0.07 -0.28 0.18 -1.35 0.00 0.00 0.00 179.97 178.58 1p89 h PRO 101 N -0.44 0.38 -0.37 0.04 0.11 -1.66 -1.70 132.00 128.35 1p89 h PRO 101 Ca -0.03 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 65.90 1p89 h PRO 101 Cb 0.36 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.38 1p89 h PRO 101 CO 0.04 0.27 -0.35 1.25 -0.21 0.00 0.00 178.00 178.99 1p89 h LEU 102 N 0.37 0.91 -0.21 2.35 7.12 -1.16 -0.57 115.31 124.11 1p89 h LEU 102 Ca 0.10 -0.40 -0.00 0.00 0.13 0.00 0.00 57.88 57.71 1p89 h LEU 102 Cb -0.02 -0.25 -0.01 0.00 -0.53 0.00 0.00 40.66 39.84 1p89 h LEU 102 CO -0.02 1.17 0.13 0.00 -0.13 0.00 0.00 178.44 179.58 1p89 h ALA 103 N 0.88 0.27 -0.32 1.25 0.00 -0.10 -2.81 119.26 118.43 1p89 h ALA 103 Ca 0.07 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1p89 h ALA 103 Cb 0.92 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1p89 h ALA 103 CO 0.09 -0.22 -0.28 0.00 0.00 0.00 0.00 179.25 178.83 1p89 h ALA 104 N 1.03 0.92 -0.52 0.00 0.00 -1.26 -3.15 119.26 116.28 1p89 h ALA 104 Ca 0.08 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1p89 h ALA 104 Cb 0.02 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1p89 h ALA 104 CO -0.01 0.62 0.28 0.00 0.00 0.00 0.00 179.25 180.13 1p89 h ALA 105 N 1.13 0.67 0.00 0.00 0.00 -0.91 -2.26 119.26 117.88 1p89 h ALA 105 Ca 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1p89 h ALA 105 Cb 0.77 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1p89 h ALA 105 CO 0.06 0.20 0.00 -0.07 0.00 0.00 0.00 179.25 179.44 1p89 h LEU 106 N 0.69 0.00 -0.45 0.00 3.38 -1.53 -2.88 115.31 114.52 1p89 h LEU 106 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1p89 h LEU 106 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1p89 h LEU 106 CO -0.03 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.50 1p89 s LEU 108 N -3.48 2.82 0.00 0.00 1.43 -1.09 0.76 118.68 119.12 1p89 s LEU 108 Ca -0.01 0.60 0.00 0.00 -1.03 0.00 0.00 54.13 53.69 1p89 s LEU 108 Cb 0.02 -3.25 0.00 0.00 0.03 0.00 0.00 46.19 42.99 1p89 s LEU 108 CO 0.06 -1.57 0.00 0.61 0.23 0.00 0.00 176.35 175.69 1p89 n GLY 109 N -2.95 1.40 3.15 -3.19 0.00 -1.26 -3.90 105.19 98.43 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 -1.06 -0.01 1.61 1.04 -1.26 -0.46 113.70 109.56 1p89 s SER 110 Ca 0.00 0.16 0.01 0.00 0.48 0.00 0.00 55.95 56.60 1p89 s SER 110 Cb 0.00 1.69 0.01 0.00 0.10 0.00 0.00 66.02 67.81 1p89 s SER 110 CO 0.00 -0.19 -0.01 0.20 0.98 0.00 0.00 173.24 174.21 1p89 s ASN 111 N 2.89 0.28 -0.38 7.02 0.01 -1.24 -4.66 114.94 118.86 1p89 s ASN 111 Ca 0.18 -0.03 -0.13 0.00 -0.71 0.00 0.00 52.86 52.16 1p89 s ASN 111 Cb -0.07 -0.08 0.01 0.00 0.41 0.00 0.00 41.25 41.53 1p89 s ASN 111 CO -0.24 -0.02 0.26 -1.81 -1.51 0.00 0.00 177.10 173.78 1p89 s ASP 112 N 0.29 5.97 -0.03 -1.22 1.11 -0.49 -1.47 116.67 120.83 1p89 s ASP 112 Ca -0.03 -0.83 -0.03 0.00 0.18 0.00 0.00 52.55 51.84 1p89 s ASP 112 Cb -0.05 -2.11 0.01 0.00 1.07 0.00 0.00 42.92 41.84 1p89 s ASP 112 CO -0.01 -0.39 0.09 -0.63 1.18 0.00 0.00 175.17 175.41 1p89 s ILE 113 N 1.65 0.02 -0.28 0.77 1.09 -0.78 -0.67 121.20 123.00 1p89 s ILE 113 Ca 0.04 -0.14 -0.04 0.00 -1.10 0.00 0.00 60.65 59.42 1p89 s ILE 113 Cb -0.19 -0.17 0.02 0.00 -1.06 0.00 0.00 42.46 41.06 1p89 s ILE 113 CO 0.09 -0.08 0.01 -0.69 -0.10 0.00 0.00 174.94 174.17 1p89 s VAL 114 N -0.21 3.34 0.42 2.92 1.01 0.32 0.14 120.40 128.34 1p89 s VAL 114 Ca -0.03 -0.95 -0.08 0.00 0.00 0.00 0.00 61.98 60.92 1p89 s VAL 114 Cb -0.02 -2.74 -0.05 0.00 0.00 0.00 0.00 36.38 33.56 1p89 s VAL 114 CO 0.00 0.10 0.75 -0.76 0.00 0.00 0.00 175.10 175.19 1p89 s LEU 115 N 1.38 3.78 0.34 3.92 1.43 0.46 -0.12 118.68 129.87 1p89 s LEU 115 Ca 0.00 1.00 -0.17 0.00 -1.03 0.00 0.00 54.13 53.94 1p89 s LEU 115 Cb -0.17 -3.91 0.04 0.00 0.03 0.00 0.00 46.19 42.18 1p89 s LEU 115 CO -0.01 -0.44 0.74 -0.89 0.23 0.00 0.00 176.35 175.97 1p89 s THR 116 N -2.48 0.00 0.00 5.49 2.01 0.12 -2.47 115.64 118.31 1p89 s THR 116 Ca 0.49 -1.05 0.00 0.00 0.31 0.00 0.00 61.69 61.44 1p89 s THR 116 Cb -0.10 -2.52 0.00 0.00 0.01 0.00 0.00 72.50 69.88 1p89 s THR 116 CO 0.36 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.90 1p89 n GLY 117 N -0.50 1.79 3.56 4.40 0.00 -1.26 -1.30 105.19 111.88 1p89 n GLY 117 Ca -0.06 -0.93 -0.29 0.00 0.00 0.00 0.00 46.02 44.73 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 -1.55 -1.01 0.27 1.61 2.02 -1.17 -4.73 118.70 114.15 1p89 s GLU 118 Ca 0.00 0.21 -0.03 0.00 0.02 0.00 0.00 54.97 55.17 1p89 s GLU 118 Cb 0.00 -1.60 0.37 0.00 0.10 0.00 0.00 34.13 33.00 1p89 s GLU 118 CO 0.00 -3.63 1.90 -1.00 0.02 0.00 0.00 175.26 172.55 1p89 h PRO 119 N -2.53 1.08 0.00 0.39 0.13 -2.01 -2.22 132.00 126.84 1p89 h PRO 119 Ca -0.50 -0.12 -0.18 0.00 -0.87 0.00 0.00 66.00 64.34 1p89 h PRO 119 Cb 1.32 -0.21 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 1p89 h PRO 119 CO 0.42 0.79 -0.85 -0.09 -0.23 0.00 0.00 178.00 178.04 1p89 h ARG 120 N 1.08 0.00 0.00 0.86 9.65 -1.96 -2.88 114.38 121.14 1p89 h ARG 120 Ca 0.27 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.15 1p89 h ARG 120 Cb 0.02 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.60 1p89 h ARG 120 CO -0.04 0.85 0.00 -0.12 2.80 0.00 0.00 179.97 183.45 1p89 n MET 121 N -3.54 0.06 0.00 0.20 1.56 -0.85 -1.73 117.12 112.81 1p89 n MET 121 Ca -0.01 0.43 0.12 0.00 -0.27 0.00 0.00 57.70 57.97 1p89 n MET 121 Cb 0.81 -1.64 0.60 0.00 2.15 0.00 0.00 33.22 35.14 1p89 n MET 121 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 175.97 176.87 1p89 n LYS 122 N -1.75 0.28 -0.30 2.12 5.02 -1.09 -3.01 118.16 119.44 1p89 n LYS 122 Ca 0.01 0.06 0.08 0.00 -2.02 0.00 0.00 58.31 56.44 1p89 n LYS 122 Cb 0.10 -1.50 0.15 0.00 -0.02 0.00 0.00 35.03 33.76 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 -1.33 1.27 -3.20 1.97 0.28 -0.71 -4.63 120.64 114.30 1p89 n GLU 123 Ca 0.11 -2.71 -0.46 0.00 -0.16 0.00 0.00 57.16 53.94 1p89 n GLU 123 Cb 0.21 -1.44 -0.03 0.00 1.43 0.00 0.00 31.44 31.61 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 -2.76 3.33 -0.05 3.44 1.81 -1.16 -5.03 118.95 118.53 1p89 s ARG 124 Ca 0.32 -1.89 -0.35 0.00 -1.72 0.00 0.00 55.73 52.09 1p89 s ARG 124 Cb 0.30 -4.43 -0.13 0.00 -0.45 0.00 0.00 34.95 30.23 1p89 s ARG 124 CO -0.01 -1.44 1.75 -0.35 -0.68 0.00 0.00 175.30 174.57 1p89 n PRO 125 N 5.27 1.95 -1.24 3.54 -0.04 -1.20 -4.29 135.00 138.99 1p89 n PRO 125 Ca 0.03 0.71 0.01 0.00 -0.04 0.00 0.00 63.50 64.22 1p89 n PRO 125 Cb 0.45 -2.50 0.11 0.00 -0.04 0.00 0.00 33.50 31.52 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 4.49 1.49 -0.04 0.52 3.06 -1.04 -4.82 119.36 123.01 1p89 n ILE 126 Ca 0.22 -2.65 -0.13 0.00 -2.50 0.00 0.00 62.75 57.68 1p89 n ILE 126 Cb 0.26 0.16 -0.11 0.00 0.54 0.00 0.00 39.64 40.49 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 1.28 0.00 0.55 4.50 0.00 -1.89 -1.67 103.07 105.83 1p89 h GLY 127 Ca -0.04 -0.00 0.19 0.00 0.00 0.00 0.00 47.33 47.48 1p89 h GLY 127 CO 0.14 0.00 0.54 0.45 0.00 0.00 0.00 176.54 177.68 1p89 h HIS 128 N -0.71 0.00 0.00 5.60 3.86 -1.94 1.16 115.15 123.12 1p89 h HIS 128 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1p89 h HIS 128 Cb 0.72 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.19 1p89 h HIS 128 CO 0.18 0.00 -0.05 1.25 0.86 0.00 0.00 177.93 180.16 1p89 h LEU 129 N 0.00 0.00 -1.94 2.43 5.85 -1.90 -3.18 115.31 116.58 1p89 h LEU 129 Ca 0.32 0.00 0.21 0.00 0.84 0.00 0.00 57.88 59.25 1p89 h LEU 129 Cb 1.40 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.40 1p89 h LEU 129 CO -0.00 0.25 0.61 0.58 -0.34 0.00 0.00 178.44 179.54 1p89 h VAL 130 N -0.46 0.46 -0.19 1.05 2.07 -0.87 0.22 116.25 118.53 1p89 h VAL 130 Ca 0.00 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 1p89 h VAL 130 Cb 0.05 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1p89 h VAL 130 CO 0.00 0.00 -0.10 -0.78 0.02 0.00 0.00 177.57 176.71 1p89 h ASP 131 N 0.00 0.42 -0.07 0.57 1.82 0.13 -2.02 116.42 117.27 1p89 h ASP 131 Ca 0.35 -0.41 -0.01 0.00 -0.39 0.00 0.00 57.03 56.56 1p89 h ASP 131 Cb 1.56 -0.12 -0.00 0.00 0.68 0.00 0.00 39.33 41.45 1p89 h ASP 131 CO -0.00 0.74 -0.00 0.00 -1.61 0.00 0.00 179.24 178.37 1p89 h ALA 132 N 0.69 0.10 -0.72 -0.78 0.00 -0.94 -1.92 119.26 115.69 1p89 h ALA 132 Ca 0.04 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.81 1p89 h ALA 132 Cb 0.59 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 1p89 h ALA 132 CO 0.03 -0.21 0.45 -0.07 0.00 0.00 0.00 179.25 179.45 1p89 h LEU 133 N -0.17 0.73 -1.57 0.00 3.38 -1.50 -0.78 115.31 115.40 1p89 h LEU 133 Ca 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1p89 h LEU 133 Cb 0.36 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1p89 h LEU 133 CO 0.00 0.50 0.22 0.03 0.09 0.00 0.00 178.44 179.28 1p89 h ARG 134 N 0.87 0.51 -0.04 1.13 3.08 -1.27 0.14 114.38 118.79 1p89 h ARG 134 Ca 0.30 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 60.20 1p89 h ARG 134 Cb 0.05 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 1p89 h ARG 134 CO -0.12 0.36 -0.48 -0.07 -1.07 0.00 0.00 179.97 178.59 1p89 h LEU 135 N 0.52 0.11 -0.24 3.04 3.38 -0.34 -2.62 115.31 119.17 1p89 h LEU 135 Ca 0.14 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1p89 h LEU 135 Cb -0.01 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1p89 h LEU 135 CO -0.03 0.58 0.00 1.23 0.09 0.00 0.00 178.44 180.31 1p89 h GLY 136 N 1.39 0.00 0.00 0.83 0.00 -0.44 -3.46 103.07 101.40 1p89 h GLY 136 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 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 0.95 0.23 3.78 4.60 0.00 -0.85 0.36 105.19 114.26 1p89 n GLY 137 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.12 2.94 -0.59 4.61 0.00 -0.10 -3.23 121.76 124.27 1p89 s ALA 138 Ca 0.00 0.84 -0.02 0.00 0.00 0.00 0.00 51.96 52.79 1p89 s ALA 138 Cb 0.00 -3.35 0.15 0.00 0.00 0.00 0.00 23.12 19.93 1p89 s ALA 138 CO 0.00 -0.56 0.39 0.15 0.00 0.00 0.00 175.76 175.74 1p89 s LYS 139 N -2.80 2.41 0.47 0.00 -0.14 -0.42 -4.29 119.74 114.97 1p89 s LYS 139 Ca 0.64 -2.49 0.05 0.00 -1.36 0.00 0.00 55.97 52.81 1p89 s LYS 139 Cb -0.25 -3.64 -0.03 0.00 -1.68 0.00 0.00 37.83 32.23 1p89 s LYS 139 CO 0.31 -1.15 0.13 0.42 -0.76 0.00 0.00 175.35 174.29 1p89 s ILE 140 N -0.01 1.71 0.00 2.17 1.01 -1.25 0.96 121.20 125.79 1p89 s ILE 140 Ca 0.16 -1.82 0.00 0.00 0.00 0.00 0.00 60.65 58.99 1p89 s ILE 140 Cb -0.21 -2.54 0.00 0.00 0.01 0.00 0.00 42.46 39.72 1p89 s ILE 140 CO -0.03 0.00 0.00 1.07 0.00 0.00 0.00 174.94 175.98 1p89 n THR 141 N -1.30 0.00 -3.62 2.92 5.66 -0.52 -4.90 114.28 112.52 1p89 n THR 141 Ca -0.08 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.62 1p89 n THR 141 Cb 0.66 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 69.29 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 -4.92 1.00 -0.63 1.09 2.02 -1.26 -3.69 117.35 110.96 1p89 s TYR 142 Ca 0.00 -1.34 0.19 0.00 -0.37 0.00 0.00 57.07 55.55 1p89 s TYR 142 Cb 0.00 -1.29 0.84 0.00 -0.40 0.00 0.00 41.96 41.11 1p89 s TYR 142 CO 0.00 -0.85 1.59 1.28 -1.57 0.00 0.00 175.55 176.00 1p89 n LEU 143 N 4.95 0.43 0.00 -1.29 7.99 -0.96 -4.58 117.00 123.54 1p89 n LEU 143 Ca -0.03 0.62 0.00 0.00 -0.01 0.00 0.00 56.01 56.59 1p89 n LEU 143 Cb 0.41 -0.58 0.00 0.00 -0.11 0.00 0.00 43.42 43.15 1p89 n LEU 143 CO 0.08 -0.51 0.00 -0.62 -1.51 0.00 0.00 177.39 174.83 1p89 n GLU 144 N -1.99 0.00 -4.38 3.23 -0.58 -1.26 -5.04 120.64 110.61 1p89 n GLU 144 Ca 0.02 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.47 1p89 n GLU 144 Cb 0.18 0.00 -0.13 0.00 -0.57 0.00 0.00 31.44 30.92 1p89 n GLU 144 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1p89 s GLN 145 N -0.62 1.38 0.08 3.49 -1.52 -1.26 -5.10 119.66 116.11 1p89 s GLN 145 Ca 0.00 -1.34 -0.31 0.00 -1.95 0.00 0.00 55.36 51.76 1p89 s GLN 145 Cb 0.00 -1.86 -0.08 0.00 -0.22 0.00 0.00 33.01 30.86 1p89 s GLN 145 CO 0.00 0.44 1.46 -1.83 -0.25 0.00 0.00 175.29 175.10 1p89 s GLU 146 N -2.06 4.28 -0.66 2.91 -1.05 -1.26 -3.27 118.70 117.59 1p89 s GLU 146 Ca 0.14 2.12 -0.01 0.00 -0.15 0.00 0.00 54.97 57.07 1p89 s GLU 146 Cb -0.10 -3.37 -0.01 0.00 -0.44 0.00 0.00 34.13 30.21 1p89 s GLU 146 CO 0.06 -0.54 0.56 0.09 0.95 0.00 0.00 175.26 176.38 1p89 n ASN 147 N 4.57 -2.43 -3.42 0.83 3.02 -1.26 -4.91 115.26 111.66 1p89 n ASN 147 Ca 0.13 -0.36 -0.15 0.00 -0.03 0.00 0.00 54.58 54.17 1p89 n ASN 147 Cb 0.42 -3.12 -0.06 0.00 -0.61 0.00 0.00 39.78 36.41 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 -3.21 1.23 0.28 3.10 2.02 -1.20 -2.50 117.35 117.07 1p89 s TYR 148 Ca 0.04 -1.37 0.02 0.00 -0.37 0.00 0.00 57.07 55.39 1p89 s TYR 148 Cb -0.01 -0.30 0.67 0.00 -0.40 0.00 0.00 41.96 41.93 1p89 s TYR 148 CO 0.41 -1.00 1.69 -1.00 -1.57 0.00 0.00 175.55 174.08 1p89 h PRO 149 N 2.18 0.36 -5.74 -1.71 0.13 -1.79 -3.39 132.00 122.04 1p89 h PRO 149 Ca -0.28 -0.02 -0.48 0.00 -0.87 0.00 0.00 66.00 64.35 1p89 h PRO 149 Cb 1.24 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 1p89 h PRO 149 CO 0.39 0.24 1.56 -1.25 -0.23 0.00 0.00 178.00 178.71 1p89 s PRO 150 N -5.92 2.31 -0.05 1.56 0.04 -1.24 -3.32 135.00 128.38 1p89 s PRO 150 Ca -0.12 1.28 -0.01 0.00 0.04 0.00 0.00 61.00 62.19 1p89 s PRO 150 Cb 0.24 -4.52 0.03 0.00 0.04 0.00 0.00 34.50 30.29 1p89 s PRO 150 CO 0.77 -3.05 0.01 -0.51 0.04 0.00 0.00 177.00 174.26 1p89 s LEU 151 N 11.17 0.70 -0.36 -3.56 1.43 -1.03 -2.27 118.68 124.76 1p89 s LEU 151 Ca 0.91 -0.04 -0.11 0.00 -1.03 0.00 0.00 54.13 53.86 1p89 s LEU 151 Cb -0.17 -0.32 0.01 0.00 0.03 0.00 0.00 46.19 45.74 1p89 s LEU 151 CO 0.26 -0.17 0.20 -0.13 0.23 0.00 0.00 176.35 176.73 1p89 s ARG 152 N 1.68 3.02 0.33 1.70 0.52 -1.24 0.17 118.95 125.14 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 -3.70 -0.04 0.00 0.52 0.00 0.00 34.95 31.61 1p89 s ARG 152 CO -0.03 -0.60 0.55 -0.51 0.02 0.00 0.00 175.30 174.72 1p89 s LEU 153 N 1.59 4.01 0.00 2.53 1.43 0.38 -1.44 118.68 127.18 1p89 s LEU 153 Ca 0.03 0.51 0.04 0.00 -1.03 0.00 0.00 54.13 53.68 1p89 s LEU 153 Cb -0.18 -3.37 0.06 0.00 0.03 0.00 0.00 46.19 42.73 1p89 s LEU 153 CO 0.07 -0.28 0.85 0.00 0.23 0.00 0.00 176.35 177.22 1p89 n GLN 154 N -1.60 0.00 0.00 1.70 6.02 0.27 -1.86 117.38 121.92 1p89 n GLN 154 Ca -0.04 -0.79 0.00 0.00 -0.01 0.00 0.00 57.00 56.16 1p89 n GLN 154 Cb 0.56 -0.13 0.00 0.00 1.02 0.00 0.00 30.24 31.68 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 0.07 -0.18 0.00 1.08 0.00 -1.01 -3.61 105.19 101.54 1p89 n GLY 155 Ca -0.03 -0.73 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 0.72 3.59 -0.02 0.00 0.39 -1.30 105.19 108.57 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 1.16 -0.21 1.61 5.36 0.23 -3.84 117.98 120.30 1p89 s PHE 157 Ca 0.00 0.73 -0.10 0.00 -0.96 0.00 0.00 56.93 56.61 1p89 s PHE 157 Cb 0.00 -3.87 -0.09 0.00 -0.34 0.00 0.00 43.02 38.72 1p89 s PHE 157 CO 0.00 -3.77 -0.26 0.25 -1.46 0.00 0.00 175.22 169.98 1p89 n THR 158 N 7.80 1.14 -0.49 0.12 -2.24 -0.38 -4.37 114.28 115.86 1p89 n THR 158 Ca 0.31 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1p89 n THR 158 Cb 0.47 -1.74 0.00 0.00 -2.10 0.00 0.00 70.33 66.96 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 1.76 0.77 0.00 3.38 0.00 0.16 0.65 105.19 111.91 1p89 n GLY 159 Ca -0.41 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 43.81 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 1.96 3.71 -0.02 0.00 -0.58 -4.28 105.19 105.98 1p89 n GLY 160 Ca 0.00 -2.17 -0.42 0.00 0.00 0.00 0.00 46.02 43.43 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 6.63 0.08 1.61 2.47 -1.26 -1.15 114.94 123.32 1p89 s ASN 161 Ca 0.00 2.52 0.02 0.00 0.42 0.00 0.00 52.86 55.82 1p89 s ASN 161 Cb 0.00 -2.58 -0.04 0.00 -1.45 0.00 0.00 41.25 37.18 1p89 s ASN 161 CO 0.00 -0.82 -0.07 -0.69 -3.72 0.00 0.00 177.10 171.80 1p89 s VAL 162 N 1.64 0.65 -0.16 -5.21 1.01 0.56 -4.86 120.40 114.03 1p89 s VAL 162 Ca 0.70 -1.71 0.00 0.00 0.00 0.00 0.00 61.98 60.98 1p89 s VAL 162 Cb -0.41 -1.40 0.03 0.00 0.00 0.00 0.00 36.38 34.60 1p89 s VAL 162 CO 0.31 -0.75 -0.12 -1.81 0.00 0.00 0.00 175.10 172.74 1p89 s ASP 163 N -2.66 2.86 0.08 3.32 1.01 -1.26 0.12 116.67 120.15 1p89 s ASP 163 Ca 0.06 -0.61 0.09 0.00 0.71 0.00 0.00 52.55 52.80 1p89 s ASP 163 Cb 0.01 -1.14 -0.03 0.00 1.01 0.00 0.00 42.92 42.77 1p89 s ASP 163 CO -0.03 -0.10 -0.22 0.54 0.21 0.00 0.00 175.17 175.57 1p89 s VAL 164 N 1.49 2.54 0.00 -1.27 0.11 0.16 -4.56 120.40 118.88 1p89 s VAL 164 Ca 0.03 -1.44 -0.24 0.00 -2.93 0.00 0.00 61.98 57.40 1p89 s VAL 164 Cb -0.14 -2.09 -0.05 0.00 -1.53 0.00 0.00 36.38 32.57 1p89 s VAL 164 CO -0.09 0.23 0.73 -0.62 -3.33 0.00 0.00 175.10 172.02 1p89 s ASP 165 N -1.70 7.11 0.01 3.54 2.15 -1.26 0.47 116.67 126.99 1p89 s ASP 165 Ca 0.15 1.33 -0.20 0.00 0.43 0.00 0.00 52.55 54.26 1p89 s ASP 165 Cb -0.10 -2.44 -0.21 0.00 -0.30 0.00 0.00 42.92 39.87 1p89 s ASP 165 CO 0.06 -0.02 1.15 1.23 -0.17 0.00 0.00 175.17 177.42 1p89 h GLY 166 N 6.04 0.45 -1.97 2.66 0.00 -1.76 -3.44 103.07 105.06 1p89 h GLY 166 Ca -0.43 -0.70 -0.51 0.00 0.00 0.00 0.00 47.33 45.69 1p89 h GLY 166 CO 0.72 0.62 -1.03 -1.26 0.00 0.00 0.00 176.54 175.60 1p89 n SER 167 N -4.29 -2.79 -2.26 0.19 2.88 -1.09 -3.27 113.62 103.00 1p89 n SER 167 Ca -0.09 0.17 -0.06 0.00 -1.33 0.00 0.00 58.87 57.56 1p89 n SER 167 Cb 0.60 -1.03 0.03 0.00 -0.75 0.00 0.00 64.21 63.05 1p89 n SER 167 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1p89 n VAL 168 N -3.65 -4.64 -1.30 2.46 0.31 -1.26 -4.84 118.33 105.40 1p89 n VAL 168 Ca 0.03 -0.54 0.08 0.00 -0.01 0.00 0.00 64.34 63.91 1p89 n VAL 168 Cb 0.58 -4.60 -0.05 0.00 -0.91 0.00 0.00 33.84 28.86 1p89 n VAL 168 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1p89 n SER 169 N -2.15 -6.05 0.00 4.52 2.88 -1.26 -4.43 113.62 107.13 1p89 n SER 169 Ca -0.03 1.21 0.12 0.00 -1.33 0.00 0.00 58.87 58.85 1p89 n SER 169 Cb 0.55 -4.18 0.73 0.00 -0.75 0.00 0.00 64.21 60.55 1p89 n SER 169 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1p89 n SER 170 N -3.48 0.00 0.18 -3.46 2.88 -1.26 -3.79 113.62 104.70 1p89 n SER 170 Ca -0.05 -1.20 0.18 0.00 -1.33 0.00 0.00 58.87 56.48 1p89 n SER 170 Cb 0.46 0.00 0.79 0.00 -0.75 0.00 0.00 64.21 64.72 1p89 n SER 170 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1p89 h GLN 171 N 0.00 0.00 0.27 -1.46 1.08 -1.89 1.24 115.11 114.35 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 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1p89 h GLN 171 CO 0.00 0.00 -0.13 0.74 -0.95 0.00 0.00 178.83 178.49 1p89 h PHE 172 N 0.00 -0.34 -0.17 2.96 -1.00 -1.80 -2.79 116.94 113.80 1p89 h PHE 172 Ca 0.12 -0.01 -0.18 0.00 2.81 0.00 0.00 57.97 60.71 1p89 h PHE 172 Cb 0.82 0.11 -0.00 0.00 3.61 0.00 0.00 35.95 40.49 1p89 h PHE 172 CO 0.00 -0.11 -0.64 1.25 -1.61 0.00 0.00 178.31 177.20 1p89 h LEU 173 N -1.05 0.71 -1.36 1.54 5.85 -1.68 -2.46 115.31 116.87 1p89 h LEU 173 Ca -0.04 -0.42 0.07 0.00 0.84 0.00 0.00 57.88 58.33 1p89 h LEU 173 Cb 0.38 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.16 1p89 h LEU 173 CO 0.06 1.17 0.49 0.74 -0.34 0.00 0.00 178.44 180.56 1p89 h THR 174 N 0.45 1.01 0.05 1.05 2.02 0.14 0.76 112.91 118.40 1p89 h THR 174 Ca -0.01 -0.26 -0.00 0.00 0.77 0.00 0.00 66.41 66.90 1p89 h THR 174 Cb 1.22 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 1p89 h THR 174 CO 0.12 0.14 -0.03 0.00 0.37 0.00 0.00 175.52 176.13 1p89 h ALA 175 N 1.60 -0.07 -0.64 6.16 0.00 -1.35 -2.36 119.26 122.60 1p89 h ALA 175 Ca 0.33 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1p89 h ALA 175 Cb 0.29 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1p89 h ALA 175 CO -0.11 -0.25 0.16 -0.07 0.00 0.00 0.00 179.25 178.98 1p89 h LEU 176 N -0.66 0.94 -1.69 0.00 3.38 -1.01 0.76 115.31 117.04 1p89 h LEU 176 Ca -0.01 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 1p89 h LEU 176 Cb 0.57 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1p89 h LEU 176 CO 0.01 0.90 -0.18 -0.07 0.09 0.00 0.00 178.44 179.19 1p89 h LEU 177 N 0.95 0.00 0.00 1.67 3.38 0.49 1.24 115.31 123.04 1p89 h LEU 177 Ca 0.20 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.94 1p89 h LEU 177 Cb 0.33 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 1p89 h LEU 177 CO -0.00 0.18 -1.97 1.15 0.09 0.00 0.00 178.44 177.89 1p89 n MET 178 N -3.82 0.66 -0.05 1.13 0.00 -0.79 -4.04 117.12 110.21 1p89 n MET 178 Ca -0.02 0.06 -0.20 0.00 0.00 0.00 0.00 57.70 57.54 1p89 n MET 178 Cb 0.28 -1.63 -0.13 0.00 0.00 0.00 0.00 33.22 31.74 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 1.13 -0.77 3.17 2.02 0.87 -3.39 112.91 115.94 1p89 h THR 179 Ca -0.31 -2.31 -0.02 0.00 0.77 0.00 0.00 66.41 64.54 1p89 h THR 179 Cb 1.81 2.67 -0.04 0.00 -1.74 0.00 0.00 68.15 70.86 1p89 h THR 179 CO 0.03 0.55 0.41 0.00 0.37 0.00 0.00 175.52 176.89 1p89 h ALA 180 N -0.19 1.27 -0.86 6.16 0.00 0.14 -2.72 119.26 123.06 1p89 h ALA 180 Ca -0.26 -0.12 0.16 0.00 0.00 0.00 0.00 54.91 54.68 1p89 h ALA 180 Cb 1.46 -0.31 -0.07 0.00 0.00 0.00 0.00 17.79 18.88 1p89 h ALA 180 CO -0.04 0.58 0.56 -1.00 0.00 0.00 0.00 179.25 179.35 1p89 h PRO 181 N 1.08 0.54 -0.00 0.00 0.13 -1.72 0.37 132.00 132.40 1p89 h PRO 181 Ca 0.27 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.37 1p89 h PRO 181 Cb 0.04 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.05 1p89 h PRO 181 CO -0.04 0.36 -0.22 1.28 -0.23 0.00 0.00 178.00 179.15 1p89 n LEU 182 N -4.53 0.27 -4.68 1.56 4.77 -1.04 0.14 117.00 113.48 1p89 n LEU 182 Ca 0.17 0.23 -0.42 0.00 -0.03 0.00 0.00 56.01 55.96 1p89 n LEU 182 Cb 0.54 -0.35 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 1p89 n LEU 182 CO 0.30 0.06 1.32 0.00 -1.33 0.00 0.00 177.39 177.75 1p89 s ALA 183 N -2.93 3.66 0.53 -1.18 0.00 0.13 -4.14 121.76 117.82 1p89 s ALA 183 Ca 0.15 1.12 0.41 0.00 0.00 0.00 0.00 51.96 53.64 1p89 s ALA 183 Cb 0.19 -3.70 1.60 0.00 0.00 0.00 0.00 23.12 21.21 1p89 s ALA 183 CO 0.59 -1.15 1.67 -1.00 0.00 0.00 0.00 175.76 175.87 1p89 h PRO 184 N 8.57 0.03 -6.21 0.00 0.13 -1.75 0.89 132.00 133.66 1p89 h PRO 184 Ca -0.42 -0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.12 1p89 h PRO 184 Cb 1.20 -0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.24 1p89 h PRO 184 CO 0.93 0.02 -0.58 -1.21 -0.23 0.00 0.00 178.00 176.93 1p89 s GLU 185 N -4.99 2.86 -0.23 0.86 2.02 0.21 -3.82 118.70 115.60 1p89 s GLU 185 Ca -0.06 -0.83 -0.29 0.00 0.02 0.00 0.00 54.97 53.81 1p89 s GLU 185 Cb 0.26 -2.65 -0.03 0.00 0.10 0.00 0.00 34.13 31.81 1p89 s GLU 185 CO 0.85 0.51 1.78 -0.51 0.02 0.00 0.00 175.26 177.91 1p89 s ASP 186 N -2.88 6.11 -0.15 -0.19 1.01 -1.26 -3.58 116.67 115.72 1p89 s ASP 186 Ca 0.30 1.65 -0.09 0.00 0.71 0.00 0.00 52.55 55.13 1p89 s ASP 186 Cb -0.11 -2.53 -0.05 0.00 1.01 0.00 0.00 42.92 41.25 1p89 s ASP 186 CO 0.23 -1.47 0.15 -0.89 0.21 0.00 0.00 175.17 173.39 1p89 s THR 187 N 6.07 5.44 -0.34 -1.27 2.01 -0.51 -1.53 115.64 125.51 1p89 s THR 187 Ca 0.79 0.24 0.02 0.00 0.31 0.00 0.00 61.69 63.05 1p89 s THR 187 Cb -0.27 -3.45 0.10 0.00 0.01 0.00 0.00 72.50 68.89 1p89 s THR 187 CO 0.32 0.53 0.09 -0.69 -0.69 0.00 0.00 174.62 174.18 1p89 s VAL 188 N -0.35 1.62 0.14 3.82 1.01 -0.30 0.75 120.40 127.09 1p89 s VAL 188 Ca 0.12 -1.98 -0.16 0.00 0.00 0.00 0.00 61.98 59.96 1p89 s VAL 188 Cb -0.12 -2.20 -0.07 0.00 0.00 0.00 0.00 36.38 33.99 1p89 s VAL 188 CO 0.02 -0.66 0.57 -0.63 0.00 0.00 0.00 175.10 174.40 1p89 s ILE 189 N 1.14 4.81 0.43 2.22 1.01 -0.56 0.21 121.20 130.44 1p89 s ILE 189 Ca 0.11 0.94 0.07 0.00 0.00 0.00 0.00 60.65 61.77 1p89 s ILE 189 Cb -0.19 -3.77 -0.05 0.00 0.01 0.00 0.00 42.46 38.46 1p89 s ILE 189 CO -0.15 0.28 0.18 0.00 0.00 0.00 0.00 174.94 175.25 1p89 s ARG 190 N -1.84 2.21 -0.52 2.79 1.70 0.33 0.32 118.95 123.95 1p89 s ARG 190 Ca 0.37 -1.89 -0.05 0.00 -0.47 0.00 0.00 55.73 53.69 1p89 s ARG 190 Cb -0.16 -1.95 0.14 0.00 -0.57 0.00 0.00 34.95 32.40 1p89 s ARG 190 CO 0.19 -0.16 0.35 0.42 -1.08 0.00 0.00 175.30 175.02 1p89 s ILE 191 N -2.63 3.78 0.00 4.99 -1.09 0.65 0.38 121.20 127.29 1p89 s ILE 191 Ca 0.39 -2.31 0.00 0.00 -2.23 0.00 0.00 60.65 56.50 1p89 s ILE 191 Cb 0.04 -3.51 0.00 0.00 -1.58 0.00 0.00 42.46 37.41 1p89 s ILE 191 CO 0.21 -0.79 0.45 0.29 -1.23 0.00 0.00 174.94 173.87 1p89 n LYS 192 N 4.27 0.00 -1.99 2.79 5.02 0.18 -4.82 118.16 123.61 1p89 n LYS 192 Ca 0.01 0.02 -0.29 0.00 -2.02 0.00 0.00 58.31 56.02 1p89 n LYS 192 Cb 0.40 -0.95 0.07 0.00 -0.02 0.00 0.00 35.03 34.53 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 1.62 0.08 0.72 0.00 -1.26 -4.90 107.32 103.58 1p89 s GLY 193 Ca 0.00 -0.60 -0.31 0.00 0.00 0.00 0.00 44.72 43.81 1p89 s GLY 193 CO 0.00 -0.18 1.86 0.99 0.00 0.00 0.00 173.10 175.77 1p89 s ASP 194 N -4.48 6.46 0.57 1.64 1.11 -1.26 -3.09 116.67 117.62 1p89 s ASP 194 Ca 0.60 2.69 -0.20 0.00 0.18 0.00 0.00 52.55 55.82 1p89 s ASP 194 Cb -0.11 -2.55 -0.05 0.00 1.07 0.00 0.00 42.92 41.28 1p89 s ASP 194 CO 0.49 -1.01 1.08 -0.11 1.18 0.00 0.00 175.17 176.80 1p89 n LEU 195 N 6.46 4.17 -0.02 1.23 7.94 -1.26 -2.67 117.00 132.85 1p89 n LEU 195 Ca 0.18 0.87 0.05 0.00 -1.11 0.00 0.00 56.01 56.01 1p89 n LEU 195 Cb 0.40 -1.44 -0.12 0.00 0.53 0.00 0.00 43.42 42.79 1p89 n LEU 195 CO 0.66 -1.46 -0.74 0.55 -1.11 0.00 0.00 177.39 175.30 1p89 n VAL 196 N -1.45 0.18 -2.48 1.96 3.14 -1.20 -4.52 118.33 113.96 1p89 n VAL 196 Ca 0.13 -0.40 -0.20 0.00 -2.96 0.00 0.00 64.34 60.91 1p89 n VAL 196 Cb 0.46 0.01 0.02 0.00 -1.06 0.00 0.00 33.84 33.26 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 -2.13 3.67 -0.11 6.55 7.64 -1.26 -4.92 113.62 123.07 1p89 n SER 197 Ca -0.07 -3.33 -0.06 0.00 1.01 0.00 0.00 58.87 56.42 1p89 n SER 197 Cb 0.50 -0.46 -0.05 0.00 -1.01 0.00 0.00 64.21 63.20 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 2.62 -0.13 0.00 1.43 3.64 -1.96 0.24 116.57 122.41 1p89 h LYS 198 Ca 0.18 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1p89 h LYS 198 Cb 1.12 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1p89 h LYS 198 CO 0.69 -0.09 0.00 -1.00 -2.27 0.00 0.00 179.45 176.78 1p89 h PRO 199 N -0.14 0.00 -0.00 1.90 0.13 -1.98 -1.75 132.00 130.17 1p89 h PRO 199 Ca 0.05 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.03 1p89 h PRO 199 Cb 0.26 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.37 1p89 h PRO 199 CO -0.34 0.00 -0.69 1.88 -0.23 0.00 0.00 178.00 178.62 1p89 h TYR 200 N 0.00 0.00 -0.13 1.56 -1.99 -1.05 -3.05 116.97 112.30 1p89 h TYR 200 Ca 0.00 -0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.61 1p89 h TYR 200 Cb 0.25 -0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.97 1p89 h TYR 200 CO 0.00 0.69 -0.44 0.97 -0.00 0.00 0.00 178.16 179.38 1p89 h ILE 201 N 0.00 1.32 -0.52 -2.88 6.09 0.12 -2.57 117.51 119.07 1p89 h ILE 201 Ca -0.01 -1.60 -0.01 0.00 -1.37 0.00 0.00 64.86 61.87 1p89 h ILE 201 Cb 1.22 1.70 -0.03 0.00 0.47 0.00 0.00 36.82 40.19 1p89 h ILE 201 CO 0.09 0.48 0.29 -0.78 -3.07 0.00 0.00 178.15 175.17 1p89 h ASP 202 N 0.26 0.63 0.27 2.19 3.58 -1.55 -0.38 116.42 121.42 1p89 h ASP 202 Ca 0.02 -0.04 -0.06 0.00 0.42 0.00 0.00 57.03 57.37 1p89 h ASP 202 Cb 0.88 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.76 1p89 h ASP 202 CO 0.07 0.50 -0.29 0.40 -2.88 0.00 0.00 179.24 177.05 1p89 h ILE 203 N 0.72 1.21 0.56 2.25 2.04 -1.48 0.43 117.51 123.24 1p89 h ILE 203 Ca 0.19 -1.02 -0.03 0.00 1.00 0.00 0.00 64.86 65.00 1p89 h ILE 203 Cb 0.01 1.53 0.01 0.00 -0.74 0.00 0.00 36.82 37.62 1p89 h ILE 203 CO -0.03 0.29 -0.27 0.74 0.00 0.00 0.00 178.15 178.88 1p89 h THR 204 N 0.03 0.44 -0.13 -0.27 2.02 -0.94 0.63 112.91 114.69 1p89 h THR 204 Ca 0.00 -0.08 -0.13 0.00 0.77 0.00 0.00 66.41 66.97 1p89 h THR 204 Cb 0.53 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1p89 h THR 204 CO 0.04 0.01 -0.48 -0.07 0.37 0.00 0.00 175.52 175.39 1p89 h LEU 205 N -0.80 0.37 -1.42 2.58 3.38 -1.35 0.36 115.31 118.43 1p89 h LEU 205 Ca -0.08 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.65 1p89 h LEU 205 Cb 0.60 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1p89 h LEU 205 CO 0.13 0.80 -0.29 0.78 0.09 0.00 0.00 178.44 179.95 1p89 h ASN 206 N 0.28 0.00 0.04 -0.43 4.21 0.07 0.63 115.58 120.38 1p89 h ASN 206 Ca 0.01 0.00 -0.15 0.00 1.21 0.00 0.00 56.30 57.38 1p89 h ASN 206 Cb 0.96 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 38.17 1p89 h ASN 206 CO 0.08 0.29 -0.60 -0.07 -1.29 0.00 0.00 177.43 175.84 1p89 h LEU 207 N 0.00 0.46 -0.53 1.61 -0.00 0.77 -2.88 115.31 114.74 1p89 h LEU 207 Ca -0.00 -0.82 -0.05 0.00 -0.00 0.00 0.00 57.88 57.00 1p89 h LEU 207 Cb 0.53 -0.14 -0.02 0.00 -0.00 0.00 0.00 40.66 41.03 1p89 h LEU 207 CO 0.04 1.23 0.13 0.24 -0.00 0.00 0.00 178.44 180.07 1p89 h MET 208 N -0.25 0.85 -0.36 1.13 2.86 -0.49 -2.37 114.93 116.29 1p89 h MET 208 Ca -0.09 -0.21 -0.01 0.00 -2.06 0.00 0.00 59.70 57.34 1p89 h MET 208 Cb 1.35 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.89 1p89 h MET 208 CO 0.12 0.81 0.20 1.57 1.06 0.00 0.00 176.91 180.66 1p89 h LYS 209 N 0.74 0.50 -0.09 1.72 2.10 0.19 -0.53 116.57 121.21 1p89 h LYS 209 Ca 0.17 -0.06 0.02 0.00 -2.00 0.00 0.00 60.65 58.78 1p89 h LYS 209 Cb 0.34 -0.10 -0.00 0.00 -0.90 0.00 0.00 32.23 31.57 1p89 h LYS 209 CO 0.00 0.41 0.06 0.00 -2.00 0.00 0.00 179.45 177.92 1p89 h THR 210 N 0.45 0.91 -0.01 0.07 1.03 -1.39 -1.91 112.91 112.07 1p89 h THR 210 Ca 0.13 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 66.52 1p89 h THR 210 Cb 0.05 0.96 -0.00 0.00 -1.07 0.00 0.00 68.15 68.09 1p89 h THR 210 CO -0.02 0.00 -0.02 -0.26 -0.01 0.00 0.00 175.52 175.21 1p89 h PHE 211 N 0.00 0.04 0.00 0.00 -1.00 -0.71 -3.44 116.94 111.83 1p89 h PHE 211 Ca 0.04 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.81 1p89 h PHE 211 Cb 0.17 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 39.72 1p89 h PHE 211 CO 0.00 0.56 0.00 0.41 -1.61 0.00 0.00 178.31 177.67 1p89 n GLY 212 N 0.36 0.03 3.35 -1.45 0.00 -0.32 -2.80 105.19 104.36 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 2.23 0.08 1.61 1.01 -0.71 -4.83 120.40 119.78 1p89 s VAL 213 Ca 0.00 -1.17 0.02 0.00 0.00 0.00 0.00 61.98 60.83 1p89 s VAL 213 Cb 0.00 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 1p89 s VAL 213 CO 0.00 0.49 -0.07 -1.61 0.00 0.00 0.00 175.10 173.91 1p89 s GLU 214 N -0.89 0.72 0.39 2.72 2.02 -1.26 -1.06 118.70 121.33 1p89 s GLU 214 Ca 0.11 -1.10 0.04 0.00 0.02 0.00 0.00 54.97 54.04 1p89 s GLU 214 Cb -0.10 -0.27 -0.03 0.00 0.10 0.00 0.00 34.13 33.82 1p89 s GLU 214 CO 0.01 0.02 0.10 0.96 0.02 0.00 0.00 175.26 176.37 1p89 s ILE 215 N -2.64 0.77 -0.17 -1.63 -5.25 -1.26 -4.52 121.20 106.50 1p89 s ILE 215 Ca 0.03 -2.00 -0.21 0.00 -0.99 0.00 0.00 60.65 57.48 1p89 s ILE 215 Cb -0.01 -2.45 -0.03 0.00 2.95 0.00 0.00 42.46 42.92 1p89 s ILE 215 CO -0.02 0.00 0.64 -0.70 -1.79 0.00 0.00 174.94 173.06 1p89 s GLU 216 N -3.77 4.27 -0.51 0.37 2.56 0.43 -4.97 118.70 117.07 1p89 s GLU 216 Ca 0.26 0.67 -0.14 0.00 0.00 0.00 0.00 54.97 55.75 1p89 s GLU 216 Cb 0.04 -3.54 0.12 0.00 2.00 0.00 0.00 34.13 32.75 1p89 s GLU 216 CO 0.14 -0.15 0.45 1.21 -0.56 0.00 0.00 175.26 176.34 1p89 s ASN 217 N 1.07 6.07 0.81 -1.70 2.47 -1.26 -0.58 114.94 121.83 1p89 s ASN 217 Ca 0.30 -1.73 0.00 0.00 0.42 0.00 0.00 52.86 51.86 1p89 s ASN 217 Cb -0.16 -2.16 0.00 0.00 -1.45 0.00 0.00 41.25 37.48 1p89 s ASN 217 CO 0.12 -0.78 0.00 0.00 -3.72 0.00 0.00 177.10 172.71 1p89 n GLN 218 N 5.17 -0.89 -0.66 0.43 1.13 -0.73 -4.75 117.38 117.07 1p89 n GLN 218 Ca -0.12 0.00 -0.07 0.00 -1.94 0.00 0.00 57.00 54.86 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 -2.29 0.00 -1.56 1.08 8.25 -1.26 -4.51 115.22 114.93 1p89 n HIS 219 Ca 0.00 -1.02 -0.19 0.00 -0.26 0.00 0.00 57.72 56.25 1p89 n HIS 219 Cb 0.00 -1.13 -0.08 0.00 1.12 0.00 0.00 29.99 29.90 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 2.48 -0.11 -0.01 4.41 4.01 -1.26 -4.75 117.16 121.94 1p89 n TYR 220 Ca 0.26 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 58.04 1p89 n TYR 220 Cb 0.61 -3.27 -0.07 0.00 -0.31 0.00 0.00 39.34 36.30 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 -2.27 0.38 -3.73 -0.72 6.02 -1.26 -4.78 117.38 111.01 1p89 n GLN 221 Ca -0.19 -0.07 -0.13 0.00 -0.01 0.00 0.00 57.00 56.59 1p89 n GLN 221 Cb 0.63 -1.20 -0.10 0.00 1.02 0.00 0.00 30.24 30.59 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 -2.57 0.49 -0.43 -1.09 -0.21 -1.26 0.24 119.66 114.83 1p89 s GLN 222 Ca -0.03 0.50 -0.03 0.00 0.02 0.00 0.00 55.36 55.82 1p89 s GLN 222 Cb 0.05 0.24 0.12 0.00 1.00 0.00 0.00 33.01 34.42 1p89 s GLN 222 CO 0.35 -0.07 0.23 -0.06 -2.12 0.00 0.00 175.29 173.62 1p89 s PHE 223 N 0.08 3.57 -0.44 0.91 0.40 0.97 -1.78 117.98 121.69 1p89 s PHE 223 Ca -0.01 -2.46 -0.26 0.00 -0.60 0.00 0.00 56.93 53.60 1p89 s PHE 223 Cb -0.03 -3.22 0.02 0.00 0.51 0.00 0.00 43.02 40.31 1p89 s PHE 223 CO 0.01 -0.96 0.93 0.08 0.70 0.00 0.00 175.22 175.98 1p89 s VAL 224 N 1.01 4.48 -0.39 -0.44 1.01 0.26 -1.50 120.40 124.83 1p89 s VAL 224 Ca 0.09 0.85 -0.15 0.00 0.00 0.00 0.00 61.98 62.77 1p89 s VAL 224 Cb -0.23 -4.42 0.01 0.00 0.00 0.00 0.00 36.38 31.74 1p89 s VAL 224 CO -0.04 -0.78 0.32 0.68 0.00 0.00 0.00 175.10 175.28 1p89 s VAL 225 N 3.73 5.22 -0.48 2.92 -7.23 0.23 0.16 120.40 124.94 1p89 s VAL 225 Ca 0.38 -0.43 -0.26 0.00 -1.81 0.00 0.00 61.98 59.85 1p89 s VAL 225 Cb -0.10 -3.90 -0.06 0.00 0.56 0.00 0.00 36.38 32.88 1p89 s VAL 225 CO 0.25 -0.25 2.28 -0.54 -0.31 0.00 0.00 175.10 176.53 1p89 s LYS 226 N 1.82 2.31 0.80 4.82 3.01 -1.26 -1.43 119.74 129.82 1p89 s LYS 226 Ca 0.07 1.33 -0.14 0.00 -1.01 0.00 0.00 55.97 56.22 1p89 s LYS 226 Cb -0.18 -4.52 0.04 0.00 -1.01 0.00 0.00 37.83 32.15 1p89 s LYS 226 CO 0.11 -3.05 0.86 0.41 0.51 0.00 0.00 175.35 174.19 1p89 n GLY 227 N 5.91 -0.81 0.97 -3.33 0.00 -1.23 -3.64 105.19 103.05 1p89 n GLY 227 Ca 0.33 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 1.06 0.75 2.97 -0.02 0.00 0.31 -4.67 105.19 105.59 1p89 n GLY 228 Ca 0.11 -0.05 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.48 -1.34 -3.15 1.61 1.13 0.38 -4.94 117.38 108.59 1p89 n GLN 229 Ca 0.00 -1.56 0.06 0.00 -1.94 0.00 0.00 57.00 53.55 1p89 n GLN 229 Cb 0.00 -1.11 -0.01 0.00 0.11 0.00 0.00 30.24 29.23 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 -4.62 -0.31 0.69 1.08 0.01 -1.26 -4.32 113.70 104.96 1p89 s SER 230 Ca 0.58 0.11 -0.17 0.00 1.31 0.00 0.00 55.95 57.79 1p89 s SER 230 Cb -0.02 1.23 -0.02 0.00 0.21 0.00 0.00 66.02 67.41 1p89 s SER 230 CO 0.42 -0.06 0.81 -1.22 0.41 0.00 0.00 173.24 173.59 1p89 n TYR 231 N 5.28 0.17 -4.38 2.43 4.01 -1.25 -4.70 117.16 118.71 1p89 n TYR 231 Ca 0.01 0.39 -0.24 0.00 -0.16 0.00 0.00 57.90 57.91 1p89 n TYR 231 Cb 0.56 -2.03 -0.11 0.00 -0.31 0.00 0.00 39.34 37.45 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 -2.97 1.42 -0.59 -0.72 -2.07 -1.12 0.13 119.66 113.73 1p89 s GLN 232 Ca 0.71 -1.50 -0.27 0.00 -1.82 0.00 0.00 55.36 52.48 1p89 s GLN 232 Cb -0.37 -1.56 -0.02 0.00 -1.09 0.00 0.00 33.01 29.97 1p89 s GLN 232 CO 0.52 0.32 1.89 0.45 -1.32 0.00 0.00 175.29 177.14 1p89 s SER 233 N -2.81 5.25 0.31 12.60 0.15 -1.02 -4.50 113.70 123.69 1p89 s SER 233 Ca 0.20 0.41 0.06 0.00 0.70 0.00 0.00 55.95 57.32 1p89 s SER 233 Cb -0.06 -2.53 0.51 0.00 -1.71 0.00 0.00 66.02 62.23 1p89 s SER 233 CO 0.09 -2.38 1.74 1.55 1.20 0.00 0.00 173.24 175.44 1p89 h PRO 234 N 15.11 0.28 0.00 5.44 0.13 -1.85 -3.49 132.00 147.62 1p89 h PRO 234 Ca -0.26 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1p89 h PRO 234 Cb 1.17 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1p89 h PRO 234 CO 1.21 0.59 0.00 0.41 -0.23 0.00 0.00 178.00 179.97 1p89 n GLY 235 N -0.35 0.35 3.57 1.56 0.00 -1.26 -4.99 105.19 104.07 1p89 n GLY 235 Ca -0.01 -1.13 -0.40 0.00 0.00 0.00 0.00 46.02 44.48 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 5.17 -0.05 2.61 2.01 -1.26 0.11 115.64 124.23 1p89 s THR 236 Ca 0.00 0.26 0.06 0.00 0.31 0.00 0.00 61.69 62.31 1p89 s THR 236 Cb 0.00 -3.76 -0.01 0.00 0.01 0.00 0.00 72.50 68.74 1p89 s THR 236 CO 0.00 0.02 -0.23 -0.47 -0.69 0.00 0.00 174.62 173.25 1p89 s TYR 237 N 2.04 2.25 -0.40 4.92 5.04 0.28 -4.92 117.35 126.56 1p89 s TYR 237 Ca 0.13 -0.67 -0.18 0.00 -2.44 0.00 0.00 57.07 53.91 1p89 s TYR 237 Cb -0.16 -1.48 0.01 0.00 0.35 0.00 0.00 41.96 40.68 1p89 s TYR 237 CO 0.11 -0.21 0.47 -1.17 -1.34 0.00 0.00 175.55 173.42 1p89 s LEU 238 N -0.11 4.68 0.00 6.97 2.96 -1.26 0.37 118.68 132.29 1p89 s LEU 238 Ca -0.04 -0.47 0.00 0.00 -0.22 0.00 0.00 54.13 53.40 1p89 s LEU 238 Cb -0.13 -2.47 0.00 0.00 0.50 0.00 0.00 46.19 44.09 1p89 s LEU 238 CO 0.03 -0.57 0.93 0.52 -1.32 0.00 0.00 176.35 175.94 1p89 n VAL 239 N 5.48 0.00 -0.62 1.68 0.31 0.31 -4.85 118.33 120.65 1p89 n VAL 239 Ca -0.06 1.43 0.00 0.00 -0.01 0.00 0.00 64.34 65.70 1p89 n VAL 239 Cb 0.48 -2.40 0.00 0.00 -0.91 0.00 0.00 33.84 31.01 1p89 n VAL 239 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72