#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 -0.22 4.04 2.35 -1.92 -3.13 115.58 116.70 1p89 h ASN 26 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 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 0.15 0.02 0.03 -1.65 0.00 0.00 177.43 175.99 1p89 h ARG 27 N 0.00 0.37 -0.24 0.81 3.08 -2.00 -2.19 114.38 114.21 1p89 h ARG 27 Ca -0.00 -0.11 -0.13 0.00 0.07 0.00 0.00 59.98 59.81 1p89 h ARG 27 Cb 0.94 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.95 1p89 h ARG 27 CO 0.02 0.53 -0.40 0.00 -1.07 0.00 0.00 179.97 179.05 1p89 h ALA 28 N 0.82 0.86 0.40 0.04 0.00 -1.98 -1.06 119.26 118.34 1p89 h ALA 28 Ca 0.06 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1p89 h ALA 28 Cb 0.35 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1p89 h ALA 28 CO 0.01 0.64 -0.19 -0.07 0.00 0.00 0.00 179.25 179.63 1p89 h LEU 29 N 0.47 -0.46 0.36 0.00 3.38 -1.48 0.44 115.31 118.02 1p89 h LEU 29 Ca 0.04 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1p89 h LEU 29 Cb 0.89 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1p89 h LEU 29 CO 0.08 -0.33 -0.18 0.25 0.09 0.00 0.00 178.44 178.35 1p89 h LEU 30 N -0.54 -0.42 -1.59 1.67 5.85 -1.41 0.12 115.31 118.99 1p89 h LEU 30 Ca -0.05 -0.09 0.19 0.00 0.84 0.00 0.00 57.88 58.77 1p89 h LEU 30 Cb 0.42 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.50 1p89 h LEU 30 CO 0.09 -0.16 0.56 -0.07 -0.34 0.00 0.00 178.44 178.52 1p89 h LEU 31 N -0.67 0.35 -0.20 2.25 3.38 -1.15 0.46 115.31 119.73 1p89 h LEU 31 Ca -0.05 0.03 -0.18 0.00 0.09 0.00 0.00 57.88 57.77 1p89 h LEU 31 Cb 0.48 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1p89 h LEU 31 CO 0.08 0.15 -0.84 0.00 0.09 0.00 0.00 178.44 177.93 1p89 h ALA 32 N 1.62 0.54 -0.02 1.53 0.00 0.20 -2.58 119.26 120.55 1p89 h ALA 32 Ca 0.43 -0.76 -0.16 0.00 0.00 0.00 0.00 54.91 54.41 1p89 h ALA 32 Cb 1.11 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1p89 h ALA 32 CO -0.14 1.05 -0.72 0.00 0.00 0.00 0.00 179.25 179.44 1p89 h ALA 33 N 1.16 0.76 0.00 0.00 0.00 0.26 -2.80 119.26 118.63 1p89 h ALA 33 Ca -0.01 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1p89 h ALA 33 Cb 1.55 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1p89 h ALA 33 CO 0.11 0.84 -0.54 1.28 0.00 0.00 0.00 179.25 180.94 1p89 n LEU 34 N -3.75 0.55 -4.90 0.00 4.77 -0.07 0.21 117.00 113.82 1p89 n LEU 34 Ca -0.02 0.11 -0.29 0.00 -0.03 0.00 0.00 56.01 55.78 1p89 n LEU 34 Cb 0.70 -0.23 0.08 0.00 -2.33 0.00 0.00 43.42 41.64 1p89 n LEU 34 CO 0.45 0.05 0.77 0.00 -1.33 0.00 0.00 177.39 177.33 1p89 s ALA 35 N -3.07 2.71 -0.59 -1.18 0.00 -0.98 -3.32 121.76 115.33 1p89 s ALA 35 Ca 0.09 -0.64 -0.13 0.00 0.00 0.00 0.00 51.96 51.28 1p89 s ALA 35 Cb 0.16 -2.94 0.15 0.00 0.00 0.00 0.00 23.12 20.49 1p89 s ALA 35 CO 0.70 -1.60 0.51 -1.01 0.00 0.00 0.00 175.76 174.36 1p89 s HIS 36 N -3.53 3.42 0.00 0.00 3.76 0.84 -0.09 115.29 119.68 1p89 s HIS 36 Ca 0.61 -1.69 0.00 0.00 -0.15 0.00 0.00 55.06 53.84 1p89 s HIS 36 Cb -0.11 -3.69 0.00 0.00 1.11 0.00 0.00 32.58 29.89 1p89 s HIS 36 CO 0.49 -1.00 0.00 0.41 -0.85 0.00 0.00 174.74 173.79 1p89 n GLY 37 N 4.78 3.48 3.75 -2.22 0.00 -1.24 -3.04 105.19 110.70 1p89 n GLY 37 Ca -0.05 -1.57 -0.41 0.00 0.00 0.00 0.00 46.02 43.98 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 -4.82 4.23 0.11 1.61 2.20 -1.25 -2.21 119.74 119.61 1p89 s LYS 38 Ca 0.00 2.36 0.05 0.00 -0.36 0.00 0.00 55.97 58.02 1p89 s LYS 38 Cb 0.00 -3.09 -0.04 0.00 -1.51 0.00 0.00 37.83 33.19 1p89 s LYS 38 CO 0.00 -0.47 -0.12 0.99 -0.36 0.00 0.00 175.35 175.39 1p89 s THR 39 N 0.02 1.09 -0.09 3.43 2.01 0.25 -4.67 115.64 117.68 1p89 s THR 39 Ca 0.60 -1.67 -0.06 0.00 0.31 0.00 0.00 61.69 60.88 1p89 s THR 39 Cb -0.43 -1.43 -0.04 0.00 0.01 0.00 0.00 72.50 70.61 1p89 s THR 39 CO 0.44 -0.50 0.13 -0.69 -0.69 0.00 0.00 174.62 173.31 1p89 s VAL 40 N -2.33 5.35 -0.21 3.82 1.01 0.24 0.93 120.40 129.21 1p89 s VAL 40 Ca 0.07 0.08 -0.00 0.00 0.00 0.00 0.00 61.98 62.13 1p89 s VAL 40 Cb -0.04 -3.35 0.06 0.00 0.00 0.00 0.00 36.38 33.05 1p89 s VAL 40 CO 0.01 0.56 -0.04 -0.76 0.00 0.00 0.00 175.10 174.88 1p89 s LEU 41 N -1.18 2.09 0.33 3.92 1.43 0.38 0.81 118.68 126.45 1p89 s LEU 41 Ca 0.17 -0.99 0.07 0.00 -1.03 0.00 0.00 54.13 52.35 1p89 s LEU 41 Cb -0.12 -1.01 -0.02 0.00 0.03 0.00 0.00 46.19 45.07 1p89 s LEU 41 CO 0.06 -0.24 0.35 0.28 0.23 0.00 0.00 176.35 177.04 1p89 s THR 42 N 1.54 3.82 -0.95 5.49 -1.32 0.13 0.44 115.64 124.79 1p89 s THR 42 Ca -0.03 -1.23 0.00 0.00 -1.21 0.00 0.00 61.69 59.22 1p89 s THR 42 Cb -0.18 -3.30 0.00 0.00 -1.51 0.00 0.00 72.50 67.52 1p89 s THR 42 CO -0.07 -0.18 0.00 -3.20 -2.21 0.00 0.00 174.62 168.96 1p89 n ASN 43 N -1.46 -3.99 -4.61 8.08 5.15 0.80 0.81 115.26 120.05 1p89 n ASN 43 Ca -0.02 0.20 -0.31 0.00 -0.60 0.00 0.00 54.58 53.85 1p89 n ASN 43 Cb 0.59 -2.41 0.16 0.00 -0.53 0.00 0.00 39.78 37.59 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 -1.08 2.48 -4.55 1.20 7.94 0.24 -4.31 117.00 118.92 1p89 n LEU 44 Ca -0.09 0.38 -0.42 0.00 -1.11 0.00 0.00 56.01 54.77 1p89 n LEU 44 Cb 0.34 -1.42 -0.07 0.00 0.53 0.00 0.00 43.42 42.79 1p89 n LEU 44 CO 0.14 -2.48 0.28 -0.22 -1.11 0.00 0.00 177.39 174.00 1p89 s LEU 45 N -5.58 4.36 -1.11 -1.96 2.96 -1.26 -4.45 118.68 111.64 1p89 s LEU 45 Ca 0.65 -0.04 -0.17 0.00 -0.22 0.00 0.00 54.13 54.35 1p89 s LEU 45 Cb -0.23 -2.64 -0.07 0.00 0.50 0.00 0.00 46.19 43.75 1p89 s LEU 45 CO 0.60 -0.54 2.12 -0.67 -1.32 0.00 0.00 176.35 176.54 1p89 n ASP 46 N 5.87 3.57 -0.52 3.68 -0.08 -1.25 -4.61 116.55 123.21 1p89 n ASP 46 Ca -0.04 -2.72 0.00 0.00 -1.51 0.00 0.00 54.79 50.53 1p89 n ASP 46 Cb 0.49 -1.36 0.00 0.00 2.34 0.00 0.00 41.12 42.59 1p89 n ASP 46 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1p89 n SER 47 N 6.47 1.07 0.00 1.67 2.88 -1.26 -5.06 113.62 119.39 1p89 n SER 47 Ca 0.52 -0.34 0.10 0.00 -1.33 0.00 0.00 58.87 57.82 1p89 n SER 47 Cb 0.37 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.69 1p89 n SER 47 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1p89 n ASP 48 N -0.66 0.15 0.17 -3.46 8.00 -1.26 -3.32 116.55 116.18 1p89 n ASP 48 Ca 0.00 0.06 0.04 0.00 0.71 0.00 0.00 54.79 55.60 1p89 n ASP 48 Cb 0.00 1.67 0.29 0.00 -0.02 0.00 0.00 41.12 43.06 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 -2.90 116.42 111.41 1p89 h ASP 49 Ca -0.03 0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 56.09 1p89 h ASP 49 Cb 1.08 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.55 1p89 h ASP 49 CO 0.00 0.44 -1.04 0.58 -1.03 0.00 0.00 179.24 178.19 1p89 h VAL 50 N 0.00 0.82 -0.67 4.15 2.07 -1.82 -3.23 116.25 117.57 1p89 h VAL 50 Ca -0.00 -1.99 0.19 0.00 0.82 0.00 0.00 66.70 65.72 1p89 h VAL 50 Cb 0.96 1.92 -0.03 0.00 -1.52 0.00 0.00 31.29 32.62 1p89 h VAL 50 CO 0.06 0.28 0.58 0.08 0.02 0.00 0.00 177.57 178.59 1p89 h ARG 51 N -1.00 0.00 -0.11 1.57 0.11 -1.64 1.58 114.38 114.89 1p89 h ARG 51 Ca -0.27 0.00 -0.20 0.00 0.10 0.00 0.00 59.98 59.62 1p89 h ARG 51 Cb 1.14 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.22 1p89 h ARG 51 CO -0.16 0.00 -0.74 0.45 0.10 0.00 0.00 179.97 179.62 1p89 h HIS 52 N 0.00 0.72 0.05 4.08 3.86 -1.65 0.70 115.15 122.91 1p89 h HIS 52 Ca 0.32 -0.31 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1p89 h HIS 52 Cb 1.48 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 29.84 1p89 h HIS 52 CO 0.00 1.09 -0.02 1.98 0.86 0.00 0.00 177.93 181.84 1p89 h MET 53 N 0.37 -0.06 -0.09 2.45 1.85 0.21 0.38 114.93 120.03 1p89 h MET 53 Ca -0.04 0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 59.06 1p89 h MET 53 Cb 1.33 0.01 -0.00 0.00 0.43 0.00 0.00 31.60 33.37 1p89 h MET 53 CO 0.14 0.17 0.04 -0.07 -0.40 0.00 0.00 176.91 176.79 1p89 h LEU 54 N -0.29 0.12 -2.44 3.39 4.07 -0.77 -0.44 115.31 118.94 1p89 h LEU 54 Ca -0.01 -0.12 0.02 0.00 0.08 0.00 0.00 57.88 57.85 1p89 h LEU 54 Cb 0.26 -0.03 -0.00 0.00 1.08 0.00 0.00 40.66 41.97 1p89 h LEU 54 CO 0.01 0.21 0.16 -1.13 -1.08 0.00 0.00 178.44 176.61 1p89 h ASN 55 N 0.02 0.00 -0.02 -0.43 -0.73 0.57 -1.10 115.58 113.89 1p89 h ASN 55 Ca 0.03 0.00 -0.09 0.00 1.87 0.00 0.00 56.30 58.11 1p89 h ASN 55 Cb 0.12 0.00 0.01 0.00 0.27 0.00 0.00 38.32 38.72 1p89 h ASN 55 CO -0.00 0.00 -0.35 0.00 -0.37 0.00 0.00 177.43 176.71 1p89 h ALA 56 N 1.75 0.07 -0.02 1.57 0.00 0.14 -3.06 119.26 119.70 1p89 h ALA 56 Ca 0.03 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1p89 h ALA 56 Cb 0.35 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1p89 h ALA 56 CO -0.00 0.17 -0.02 -0.07 0.00 0.00 0.00 179.25 179.33 1p89 h LEU 57 N -0.32 0.06 -1.96 0.00 3.38 -0.50 -2.90 115.31 113.06 1p89 h LEU 57 Ca -0.04 -0.46 0.26 0.00 0.09 0.00 0.00 57.88 57.73 1p89 h LEU 57 Cb 1.06 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 1p89 h LEU 57 CO 0.07 0.51 0.66 0.00 0.09 0.00 0.00 178.44 179.77 1p89 h THR 58 N -0.40 0.55 0.11 0.22 1.03 -1.37 0.17 112.91 113.21 1p89 h THR 58 Ca 0.00 -0.01 -0.00 0.00 -0.01 0.00 0.00 66.41 66.39 1p89 h THR 58 Cb 0.49 0.51 -0.00 0.00 -1.07 0.00 0.00 68.15 68.08 1p89 h THR 58 CO 0.00 0.01 -0.06 0.00 -0.01 0.00 0.00 175.52 175.46 1p89 h ALA 59 N 1.54 -0.15 0.00 0.00 0.00 -1.40 -1.55 119.26 117.70 1p89 h ALA 59 Ca 0.44 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.27 1p89 h ALA 59 Cb 1.72 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 1p89 h ALA 59 CO -0.02 -0.59 -0.24 -0.07 0.00 0.00 0.00 179.25 178.33 1p89 h LEU 60 N -0.15 0.00 0.00 0.00 4.07 -0.74 -3.46 115.31 115.03 1p89 h LEU 60 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1p89 h LEU 60 Cb 0.12 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.86 1p89 h LEU 60 CO 0.02 0.24 0.00 0.61 -1.08 0.00 0.00 178.44 178.23 1p89 n GLY 61 N -0.61 0.07 3.69 0.83 0.00 -0.24 -4.70 105.19 104.23 1p89 n GLY 61 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 1p89 n GLY 61 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1p89 n VAL 62 N 0.00 4.51 -3.86 1.61 0.31 -0.40 -4.86 118.33 115.63 1p89 n VAL 62 Ca 0.00 -0.50 -0.36 0.00 -0.01 0.00 0.00 64.34 63.47 1p89 n VAL 62 Cb 0.00 -1.39 -0.13 0.00 -0.91 0.00 0.00 33.84 31.41 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 -1.31 5.03 0.20 4.52 0.01 -1.26 -3.83 113.70 117.06 1p89 s SER 63 Ca 0.80 -1.36 0.08 0.00 1.31 0.00 0.00 55.95 56.78 1p89 s SER 63 Cb -0.39 -1.76 -0.05 0.00 0.21 0.00 0.00 66.02 64.03 1p89 s SER 63 CO 0.43 -0.32 -0.14 -0.72 0.41 0.00 0.00 173.24 172.90 1p89 s TYR 64 N 1.26 1.70 -0.19 2.43 -0.85 -1.25 0.41 117.35 120.86 1p89 s TYR 64 Ca -0.02 -0.57 -0.05 0.00 -0.52 0.00 0.00 57.07 55.90 1p89 s TYR 64 Cb -0.20 -0.79 0.09 0.00 0.38 0.00 0.00 41.96 41.44 1p89 s TYR 64 CO -0.01 0.35 0.35 0.99 -1.52 0.00 0.00 175.55 175.71 1p89 s THR 65 N -2.94 -0.54 0.71 -3.49 2.01 -0.84 -4.87 115.64 105.68 1p89 s THR 65 Ca 0.22 0.12 -0.04 0.00 0.31 0.00 0.00 61.69 62.30 1p89 s THR 65 Cb -0.01 -0.63 0.09 0.00 0.01 0.00 0.00 72.50 71.96 1p89 s THR 65 CO 0.07 0.02 1.00 -0.76 -0.69 0.00 0.00 174.62 174.25 1p89 s LEU 66 N 2.52 2.94 0.92 4.42 2.01 -1.25 -0.31 118.68 129.93 1p89 s LEU 66 Ca 0.03 0.10 -0.13 0.00 0.01 0.00 0.00 54.13 54.14 1p89 s LEU 66 Cb -0.13 -2.63 0.19 0.00 0.01 0.00 0.00 46.19 43.63 1p89 s LEU 66 CO -0.12 -1.73 1.27 -0.55 1.01 0.00 0.00 176.35 176.23 1p89 s SER 67 N -4.61 3.28 0.16 2.29 0.15 0.82 -4.84 113.70 110.95 1p89 s SER 67 Ca 0.63 0.10 0.15 0.00 0.70 0.00 0.00 55.95 57.53 1p89 s SER 67 Cb -0.08 -0.17 0.72 0.00 -1.71 0.00 0.00 66.02 64.77 1p89 s SER 67 CO 0.44 -2.61 1.47 0.00 1.20 0.00 0.00 173.24 173.74 1p89 n ALA 68 N -3.60 1.32 0.08 5.45 0.00 -1.26 -1.16 120.51 121.33 1p89 n ALA 68 Ca 0.16 0.07 0.01 0.00 0.00 0.00 0.00 53.44 53.68 1p89 n ALA 68 Cb 0.60 -1.24 0.01 0.00 0.00 0.00 0.00 19.45 18.82 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 -1.91 1.32 -3.03 0.00 2.03 -1.26 -5.00 116.55 108.70 1p89 n ASP 69 Ca 0.01 -1.22 -0.17 0.00 0.52 0.00 0.00 54.79 53.93 1p89 n ASP 69 Cb 0.10 -0.01 0.07 0.00 -0.72 0.00 0.00 41.12 40.57 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 0.07 -6.08 0.00 -0.67 5.12 -0.31 -4.69 116.66 110.10 1p89 n ARG 70 Ca 0.01 0.69 0.00 0.00 -1.93 0.00 0.00 57.85 56.63 1p89 n ARG 70 Cb 0.09 -5.28 0.00 0.00 -1.16 0.00 0.00 32.46 26.10 1p89 n ARG 70 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 1p89 n THR 71 N -4.12 0.00 -3.59 0.55 -1.04 -1.26 -3.77 114.28 101.04 1p89 n THR 71 Ca -0.10 -0.42 -0.22 0.00 -2.04 0.00 0.00 64.05 61.26 1p89 n THR 71 Cb 0.59 1.11 -0.16 0.00 -1.82 0.00 0.00 70.33 70.05 1p89 n THR 71 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1p89 s ARG 72 N -0.24 0.07 0.07 -2.82 1.04 -1.25 0.28 118.95 116.11 1p89 s ARG 72 Ca 0.00 0.12 0.08 0.00 -1.04 0.00 0.00 55.73 54.89 1p89 s ARG 72 Cb 0.00 -1.34 -0.04 0.00 -2.04 0.00 0.00 34.95 31.53 1p89 s ARG 72 CO 0.00 -0.59 -0.18 0.00 -0.04 0.00 0.00 175.30 174.49 1p89 s GLU 74 N -1.74 2.19 -0.20 0.00 2.02 0.58 0.14 118.70 121.69 1p89 s GLU 74 Ca 0.16 -1.64 -0.13 0.00 0.02 0.00 0.00 54.97 53.38 1p89 s GLU 74 Cb -0.10 -3.52 -0.04 0.00 0.10 0.00 0.00 34.13 30.56 1p89 s GLU 74 CO 0.07 -0.95 0.29 0.42 0.02 0.00 0.00 175.26 175.11 1p89 s ILE 75 N 1.21 5.29 -0.66 -1.63 1.09 0.26 -1.99 121.20 124.78 1p89 s ILE 75 Ca 0.04 0.48 -0.27 0.00 -1.10 0.00 0.00 60.65 59.81 1p89 s ILE 75 Cb -0.22 -3.62 0.03 0.00 -1.06 0.00 0.00 42.46 37.59 1p89 s ILE 75 CO -0.03 0.32 1.20 -0.63 -0.10 0.00 0.00 174.94 175.71 1p89 s ILE 76 N 0.97 3.92 -0.38 2.92 1.01 0.16 0.84 121.20 130.64 1p89 s ILE 76 Ca 0.14 0.55 -0.40 0.00 0.00 0.00 0.00 60.65 60.95 1p89 s ILE 76 Cb -0.14 -4.80 -0.15 0.00 0.01 0.00 0.00 42.46 37.38 1p89 s ILE 76 CO 0.05 -1.57 2.04 0.61 0.00 0.00 0.00 174.94 176.07 1p89 n GLY 77 N 5.23 0.39 0.23 6.18 0.00 -0.94 -4.41 105.19 111.87 1p89 n GLY 77 Ca 0.05 0.99 0.16 0.00 0.00 0.00 0.00 46.02 47.21 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 9.78 0.00 0.00 1.61 -0.26 0.27 -3.28 115.58 123.70 1p89 h ASN 78 Ca -0.28 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.46 1p89 h ASN 78 Cb 1.35 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.61 1p89 h ASN 78 CO 1.02 0.00 0.00 0.61 -1.06 0.00 0.00 177.43 178.00 1p89 n GLY 79 N -1.17 3.10 0.00 2.83 0.00 0.87 -4.89 105.19 105.93 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 -1.87 5.41 3.81 -0.02 0.00 -1.21 -4.67 105.19 106.64 1p89 n GLY 80 Ca 0.00 -1.25 -0.29 0.00 0.00 0.00 0.00 46.02 44.49 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 1.83 1.16 -0.89 1.61 0.02 -1.26 -3.50 135.00 133.97 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 -1.85 -0.07 0.00 0.02 0.00 0.00 34.50 32.60 1p89 s PRO 81 CO 0.00 -2.17 2.04 -0.51 -0.33 0.00 0.00 177.00 176.03 1p89 s LEU 82 N -5.98 3.10 -0.25 -5.54 2.01 -1.25 -4.87 118.68 105.89 1p89 s LEU 82 Ca 0.64 -0.56 -0.28 0.00 0.01 0.00 0.00 54.13 53.94 1p89 s LEU 82 Cb -0.13 -2.56 0.01 0.00 0.01 0.00 0.00 46.19 43.51 1p89 s LEU 82 CO 0.53 -2.99 0.97 -1.00 1.01 0.00 0.00 176.35 174.87 1p89 s HIS 83 N 11.08 3.30 -0.20 0.29 3.76 -1.26 -4.37 115.29 127.89 1p89 s HIS 83 Ca 0.74 1.31 -0.04 0.00 -0.15 0.00 0.00 55.06 56.93 1p89 s HIS 83 Cb -0.08 -3.26 0.09 0.00 1.11 0.00 0.00 32.58 30.44 1p89 s HIS 83 CO 0.01 -0.50 0.24 0.00 -0.85 0.00 0.00 174.74 173.64 1p89 s ALA 84 N 3.15 -0.38 -0.66 -1.40 0.00 -1.26 -4.70 121.76 116.50 1p89 s ALA 84 Ca 0.41 0.39 -0.02 0.00 0.00 0.00 0.00 51.96 52.74 1p89 s ALA 84 Cb -0.15 -1.32 0.17 0.00 0.00 0.00 0.00 23.12 21.83 1p89 s ALA 84 CO 0.08 -1.15 0.49 -2.00 0.00 0.00 0.00 175.76 173.18 1p89 s GLU 85 N 2.36 2.66 0.00 0.00 2.12 -1.26 -1.24 118.70 123.34 1p89 s GLU 85 Ca 0.07 -2.66 0.00 0.00 0.36 0.00 0.00 54.97 52.74 1p89 s GLU 85 Cb -0.15 -3.75 0.00 0.00 0.26 0.00 0.00 34.13 30.48 1p89 s GLU 85 CO -0.12 -1.19 0.10 0.41 -0.54 0.00 0.00 175.26 173.92 1p89 n GLY 86 N 3.28 0.18 3.63 -1.50 0.00 -1.26 -4.96 105.19 104.56 1p89 n GLY 86 Ca 0.10 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.02 -2.38 4.61 0.00 -0.51 -4.93 120.51 115.29 1p89 n ALA 87 Ca -0.00 -0.14 -0.41 0.00 0.00 0.00 0.00 53.44 52.88 1p89 n ALA 87 Cb 0.10 -2.05 -0.04 0.00 0.00 0.00 0.00 19.45 17.46 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 -6.60 4.45 -0.15 0.00 2.96 0.12 -4.68 118.68 114.78 1p89 s LEU 88 Ca 0.00 1.81 -0.02 0.00 -0.22 0.00 0.00 54.13 55.70 1p89 s LEU 88 Cb -0.00 -3.58 -0.02 0.00 0.50 0.00 0.00 46.19 43.09 1p89 s LEU 88 CO 0.79 -0.17 -0.09 -0.70 -1.32 0.00 0.00 176.35 174.86 1p89 s GLU 89 N 0.31 3.48 0.24 1.98 -6.30 -1.25 0.16 118.70 117.32 1p89 s GLU 89 Ca 0.50 -0.62 0.08 0.00 -2.50 0.00 0.00 54.97 52.43 1p89 s GLU 89 Cb -0.24 -2.78 -0.04 0.00 0.00 0.00 0.00 34.13 31.07 1p89 s GLU 89 CO 0.30 0.17 0.05 -0.51 0.02 0.00 0.00 175.26 175.29 1p89 s LEU 90 N 0.50 3.41 -0.26 2.70 1.43 0.13 -4.88 118.68 121.71 1p89 s LEU 90 Ca -0.06 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 52.58 1p89 s LEU 90 Cb -0.15 -1.96 0.07 0.00 0.03 0.00 0.00 46.19 44.18 1p89 s LEU 90 CO 0.04 0.01 -0.00 0.12 0.23 0.00 0.00 176.35 176.75 1p89 s PHE 91 N -2.12 2.40 -2.14 0.29 2.19 -1.26 0.52 117.98 117.86 1p89 s PHE 91 Ca 0.31 -1.89 0.19 0.00 0.33 0.00 0.00 56.93 55.87 1p89 s PHE 91 Cb -0.08 -1.78 0.53 0.00 -1.31 0.00 0.00 43.02 40.38 1p89 s PHE 91 CO 0.21 -0.81 1.44 1.28 1.83 0.00 0.00 175.22 179.17 1p89 n LEU 92 N 4.66 3.03 0.00 6.12 7.99 0.05 -4.86 117.00 134.00 1p89 n LEU 92 Ca -0.08 -1.45 0.00 0.00 -0.01 0.00 0.00 56.01 54.48 1p89 n LEU 92 Cb 0.44 -0.33 0.00 0.00 -0.11 0.00 0.00 43.42 43.42 1p89 n LEU 92 CO 0.17 0.72 0.00 0.61 -1.51 0.00 0.00 177.39 177.38 1p89 n GLY 93 N 1.41 1.60 2.58 -0.72 0.00 -1.26 -1.95 105.19 106.86 1p89 n GLY 93 Ca 0.19 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.65 6.76 0.00 1.61 2.85 -1.26 -2.99 115.26 120.58 1p89 n ASN 94 Ca 0.00 -3.37 0.00 0.00 -0.11 0.00 0.00 54.58 51.10 1p89 n ASN 94 Cb 0.00 -1.18 0.00 0.00 1.24 0.00 0.00 39.78 39.84 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 0.48 0.00 0.00 5.20 0.00 -0.82 -4.91 120.51 120.46 1p89 n ALA 95 Ca 0.50 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1p89 n ALA 95 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 1p89 n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p89 n GLY 96 N 2.22 2.97 0.02 0.00 0.00 -1.26 -4.74 105.19 104.41 1p89 n GLY 96 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1p89 n GLY 96 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1p89 n THR 97 N -2.00 0.00 0.00 2.61 -2.24 -1.26 -4.19 114.28 107.20 1p89 n THR 97 Ca 0.00 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1p89 n THR 97 Cb 0.00 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 1p89 n THR 97 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1p89 n ALA 98 N -1.44 1.49 0.05 6.98 0.00 -1.26 -4.65 120.51 121.67 1p89 n ALA 98 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.36 1p89 n ALA 98 Cb 0.34 0.04 -0.09 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 -0.11 0.58 0.00 -1.53 -1.92 -0.38 114.93 111.57 1p89 h MET 99 Ca 0.00 0.01 -0.03 0.00 -3.44 0.00 0.00 59.70 56.24 1p89 h MET 99 Cb 0.17 0.03 0.01 0.00 -0.55 0.00 0.00 31.60 31.26 1p89 h MET 99 CO 0.00 0.19 -0.28 0.00 0.14 0.00 0.00 176.91 176.97 1p89 h ARG 100 N -0.42 -0.75 -0.42 0.39 -0.00 -1.84 0.43 114.38 111.77 1p89 h ARG 100 Ca -0.01 0.05 0.01 0.00 -0.50 0.00 0.00 59.98 59.53 1p89 h ARG 100 Cb 0.36 0.17 -0.02 0.00 0.00 0.00 0.00 29.97 30.47 1p89 h ARG 100 CO 0.02 -0.47 0.26 -1.35 0.00 0.00 0.00 179.97 178.43 1p89 h PRO 101 N -0.85 0.52 -0.22 0.04 0.11 -1.64 -2.14 132.00 127.82 1p89 h PRO 101 Ca -0.08 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.87 1p89 h PRO 101 Cb 0.62 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 1p89 h PRO 101 CO 0.13 0.34 -0.41 1.25 -0.21 0.00 0.00 178.00 179.11 1p89 h LEU 102 N 0.53 0.54 -0.16 2.35 7.12 -1.06 -1.27 115.31 123.36 1p89 h LEU 102 Ca 0.16 -0.24 -0.00 0.00 0.13 0.00 0.00 57.88 57.93 1p89 h LEU 102 Cb -0.02 -0.15 -0.01 0.00 -0.53 0.00 0.00 40.66 39.95 1p89 h LEU 102 CO -0.06 0.88 0.08 0.00 -0.13 0.00 0.00 178.44 179.22 1p89 h ALA 103 N 1.14 0.20 -0.11 1.25 0.00 0.14 -2.95 119.26 118.93 1p89 h ALA 103 Ca 0.04 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 1p89 h ALA 103 Cb 0.89 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1p89 h ALA 103 CO 0.08 -0.25 -0.63 0.00 0.00 0.00 0.00 179.25 178.45 1p89 h ALA 104 N 0.97 0.72 -0.61 0.00 0.00 -1.36 -3.21 119.26 115.76 1p89 h ALA 104 Ca 0.05 -0.55 0.02 0.00 0.00 0.00 0.00 54.91 54.43 1p89 h ALA 104 Cb 0.09 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1p89 h ALA 104 CO -0.01 0.72 0.39 0.00 0.00 0.00 0.00 179.25 180.35 1p89 h ALA 105 N 1.04 0.79 0.00 0.00 0.00 -1.13 -1.65 119.26 118.31 1p89 h ALA 105 Ca -0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1p89 h ALA 105 Cb 1.16 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 1p89 h ALA 105 CO 0.11 0.14 -0.12 -0.07 0.00 0.00 0.00 179.25 179.31 1p89 h LEU 106 N 0.77 0.00 -0.09 0.00 3.38 -1.57 -2.84 115.31 114.95 1p89 h LEU 106 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1p89 h LEU 106 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1p89 h LEU 106 CO -0.09 0.12 0.00 0.00 0.09 0.00 0.00 178.44 178.56 1p89 s LEU 108 N -3.10 2.69 0.00 0.00 1.43 -1.07 0.10 118.68 118.73 1p89 s LEU 108 Ca 0.00 0.63 0.00 0.00 -1.03 0.00 0.00 54.13 53.73 1p89 s LEU 108 Cb 0.01 -3.22 0.00 0.00 0.03 0.00 0.00 46.19 43.01 1p89 s LEU 108 CO 0.02 -1.71 0.00 0.61 0.23 0.00 0.00 176.35 175.49 1p89 n GLY 109 N -3.09 1.72 3.15 -3.19 0.00 -1.26 -3.87 105.19 98.64 1p89 n GLY 109 Ca 0.08 0.46 0.04 0.00 0.00 0.00 0.00 46.02 46.60 1p89 n GLY 109 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1p89 s SER 110 N -4.00 -1.41 -0.01 1.61 0.01 -1.26 -0.04 113.70 108.60 1p89 s SER 110 Ca 0.00 0.12 0.01 0.00 1.31 0.00 0.00 55.95 57.38 1p89 s SER 110 Cb 0.00 1.89 0.01 0.00 0.21 0.00 0.00 66.02 68.13 1p89 s SER 110 CO 0.00 -0.25 -0.01 0.20 0.41 0.00 0.00 173.24 173.59 1p89 s ASN 111 N 2.80 0.31 -0.38 2.44 0.01 -1.24 -4.62 114.94 114.26 1p89 s ASN 111 Ca 0.13 -0.03 -0.12 0.00 -0.71 0.00 0.00 52.86 52.13 1p89 s ASN 111 Cb -0.08 -0.11 0.02 0.00 0.41 0.00 0.00 41.25 41.49 1p89 s ASN 111 CO -0.24 -0.03 0.24 -1.81 -1.51 0.00 0.00 177.10 173.74 1p89 s ASP 112 N 0.44 5.88 -0.04 -1.22 1.11 -0.37 -1.46 116.67 121.02 1p89 s ASP 112 Ca -0.04 -0.86 -0.06 0.00 0.18 0.00 0.00 52.55 51.77 1p89 s ASP 112 Cb -0.07 -2.08 0.01 0.00 1.07 0.00 0.00 42.92 41.85 1p89 s ASP 112 CO -0.01 -0.38 0.15 -0.63 1.18 0.00 0.00 175.17 175.48 1p89 s ILE 113 N 1.62 0.02 -0.28 0.77 1.09 -0.69 -0.71 121.20 123.03 1p89 s ILE 113 Ca 0.04 -0.19 -0.03 0.00 -1.10 0.00 0.00 60.65 59.37 1p89 s ILE 113 Cb -0.19 -0.28 0.04 0.00 -1.06 0.00 0.00 42.46 40.97 1p89 s ILE 113 CO 0.08 -0.11 -0.01 -0.69 -0.10 0.00 0.00 174.94 174.12 1p89 s VAL 114 N -0.32 3.10 0.49 2.92 1.01 0.41 0.16 120.40 128.16 1p89 s VAL 114 Ca -0.04 -1.15 -0.11 0.00 0.00 0.00 0.00 61.98 60.68 1p89 s VAL 114 Cb -0.03 -2.68 -0.06 0.00 0.00 0.00 0.00 36.38 33.61 1p89 s VAL 114 CO 0.01 0.03 0.87 -0.76 0.00 0.00 0.00 175.10 175.24 1p89 s LEU 115 N 1.32 3.62 0.33 3.92 1.43 0.53 0.19 118.68 130.01 1p89 s LEU 115 Ca -0.02 1.23 -0.18 0.00 -1.03 0.00 0.00 54.13 54.13 1p89 s LEU 115 Cb -0.18 -4.18 0.04 0.00 0.03 0.00 0.00 46.19 41.90 1p89 s LEU 115 CO -0.02 -0.57 0.78 -0.89 0.23 0.00 0.00 176.35 175.88 1p89 s THR 116 N -2.67 0.00 0.00 5.49 2.01 0.18 -2.46 115.64 118.19 1p89 s THR 116 Ca 0.53 -0.97 0.00 0.00 0.31 0.00 0.00 61.69 61.55 1p89 s THR 116 Cb -0.10 -2.49 0.00 0.00 0.01 0.00 0.00 72.50 69.92 1p89 s THR 116 CO 0.39 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.93 1p89 n GLY 117 N -0.51 2.46 3.61 4.40 0.00 -1.26 -0.77 105.19 113.12 1p89 n GLY 117 Ca -0.06 -0.87 -0.29 0.00 0.00 0.00 0.00 46.02 44.79 1p89 n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1p89 s GLU 118 N -0.45 -0.72 0.33 1.61 2.02 -1.16 -4.68 118.70 115.65 1p89 s GLU 118 Ca 0.00 0.14 0.02 0.00 0.02 0.00 0.00 54.97 55.15 1p89 s GLU 118 Cb 0.00 -1.64 0.57 0.00 0.10 0.00 0.00 34.13 33.16 1p89 s GLU 118 CO 0.00 -3.42 1.93 -1.00 0.02 0.00 0.00 175.26 172.79 1p89 h PRO 119 N -2.38 0.77 0.02 0.39 0.13 -2.02 -2.31 132.00 126.60 1p89 h PRO 119 Ca -0.49 -0.10 -0.21 0.00 -0.87 0.00 0.00 66.00 64.33 1p89 h PRO 119 Cb 1.31 -0.15 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 1p89 h PRO 119 CO 0.43 0.60 -0.99 -0.09 -0.23 0.00 0.00 178.00 177.71 1p89 h ARG 120 N 0.77 0.06 0.00 0.86 9.65 -1.95 -3.07 114.38 120.70 1p89 h ARG 120 Ca 0.19 -0.10 0.00 0.00 -1.10 0.00 0.00 59.98 58.97 1p89 h ARG 120 Cb 0.09 0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.71 1p89 h ARG 120 CO -0.02 1.00 0.00 1.98 2.80 0.00 0.00 179.97 185.72 1p89 h MET 121 N 0.02 0.00 0.00 0.20 4.05 -1.68 -1.95 114.93 115.57 1p89 h MET 121 Ca -0.03 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 1p89 h MET 121 Cb 1.72 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.52 1p89 h MET 121 CO 0.14 0.00 0.00 1.63 0.23 0.00 0.00 176.91 178.91 1p89 n LYS 122 N -2.47 0.04 -0.43 0.39 4.76 -1.12 -2.29 118.16 117.05 1p89 n LYS 122 Ca -0.01 0.25 0.07 0.00 -2.87 0.00 0.00 58.31 55.76 1p89 n LYS 122 Cb 0.09 -1.50 0.18 0.00 -1.84 0.00 0.00 35.03 31.96 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 -1.45 1.42 -3.28 1.97 0.28 -0.73 -4.64 120.64 114.21 1p89 n GLU 123 Ca 0.04 -2.99 -0.46 0.00 -0.16 0.00 0.00 57.16 53.59 1p89 n GLU 123 Cb 0.14 -1.52 -0.02 0.00 1.43 0.00 0.00 31.44 31.47 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 -2.99 3.67 0.19 3.44 1.81 -0.97 -5.04 118.95 119.06 1p89 s ARG 124 Ca 0.35 -2.45 -0.32 0.00 -1.72 0.00 0.00 55.73 51.60 1p89 s ARG 124 Cb 0.33 -4.51 -0.16 0.00 -0.45 0.00 0.00 34.95 30.17 1p89 s ARG 124 CO -0.04 -1.35 1.09 -0.35 -0.68 0.00 0.00 175.30 173.97 1p89 n PRO 125 N 4.20 1.08 -1.78 3.54 -0.04 -1.21 -4.41 135.00 136.38 1p89 n PRO 125 Ca 0.16 0.38 0.02 0.00 -0.04 0.00 0.00 63.50 64.03 1p89 n PRO 125 Cb 0.47 -1.82 0.02 0.00 -0.04 0.00 0.00 33.50 32.13 1p89 n PRO 125 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1p89 n ILE 126 N 1.16 0.27 -0.02 0.52 3.06 -1.08 -4.92 119.36 118.35 1p89 n ILE 126 Ca 0.14 -1.33 -0.13 0.00 -2.50 0.00 0.00 62.75 58.94 1p89 n ILE 126 Cb 0.25 1.02 -0.10 0.00 0.54 0.00 0.00 39.64 41.36 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 1.26 -0.05 0.40 4.50 0.00 -1.91 -1.33 103.07 105.95 1p89 h GLY 127 Ca -0.24 0.02 0.22 0.00 0.00 0.00 0.00 47.33 47.32 1p89 h GLY 127 CO 0.08 -0.02 0.57 0.45 0.00 0.00 0.00 176.54 177.62 1p89 h HIS 128 N -0.74 0.13 0.05 5.60 3.86 -1.95 1.23 115.15 123.33 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 0.65 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.08 1p89 h HIS 128 CO 0.15 0.03 -0.02 1.25 0.86 0.00 0.00 177.93 180.20 1p89 h LEU 129 N 0.10 -0.06 -1.94 2.43 5.85 -1.89 -3.03 115.31 116.77 1p89 h LEU 129 Ca 0.39 0.00 0.14 0.00 0.84 0.00 0.00 57.88 59.25 1p89 h LEU 129 Cb 1.42 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.44 1p89 h LEU 129 CO -0.04 0.29 0.49 0.58 -0.34 0.00 0.00 178.44 179.41 1p89 h VAL 130 N -0.72 0.38 -0.09 1.05 2.07 -0.62 -0.43 116.25 117.89 1p89 h VAL 130 Ca -0.01 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.37 1p89 h VAL 130 Cb 0.05 0.62 0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1p89 h VAL 130 CO 0.01 0.00 -0.50 -0.78 0.02 0.00 0.00 177.57 176.32 1p89 h ASP 131 N 0.00 0.59 0.15 0.57 1.82 0.14 -2.41 116.42 117.28 1p89 h ASP 131 Ca 0.22 -0.66 -0.01 0.00 -0.39 0.00 0.00 57.03 56.20 1p89 h ASP 131 Cb 1.20 -0.18 0.00 0.00 0.68 0.00 0.00 39.33 41.03 1p89 h ASP 131 CO -0.00 1.15 -0.07 0.00 -1.61 0.00 0.00 179.24 178.71 1p89 h ALA 132 N 0.45 -0.20 -0.52 -0.78 0.00 -0.96 -0.75 119.26 116.49 1p89 h ALA 132 Ca -0.04 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.77 1p89 h ALA 132 Cb 1.16 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.97 1p89 h ALA 132 CO 0.10 -0.47 0.24 -0.07 0.00 0.00 0.00 179.25 179.05 1p89 h LEU 133 N -0.50 0.31 -1.39 0.00 3.38 -1.57 -0.04 115.31 115.51 1p89 h LEU 133 Ca -0.02 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.02 1p89 h LEU 133 Cb 0.39 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 1p89 h LEU 133 CO 0.03 0.21 0.44 0.03 0.09 0.00 0.00 178.44 179.25 1p89 h ARG 134 N 0.46 0.78 -0.24 1.13 3.08 -1.36 -0.14 114.38 118.09 1p89 h ARG 134 Ca 0.24 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.17 1p89 h ARG 134 Cb 0.20 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1p89 h ARG 134 CO -0.20 0.52 -0.16 -0.07 -1.07 0.00 0.00 179.97 178.98 1p89 h LEU 135 N 0.80 0.40 -0.72 3.04 3.38 0.51 -2.19 115.31 120.54 1p89 h LEU 135 Ca 0.27 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1p89 h LEU 135 Cb 0.06 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1p89 h LEU 135 CO -0.07 0.59 0.00 1.23 0.09 0.00 0.00 178.44 180.27 1p89 h GLY 136 N 0.92 0.00 0.00 0.83 0.00 0.01 -3.46 103.07 101.37 1p89 h GLY 136 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1p89 h GLY 136 CO 0.03 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.18 1p89 n GLY 137 N 0.53 0.01 3.77 4.60 0.00 -0.83 0.63 105.19 113.91 1p89 n GLY 137 Ca 0.02 0.00 -0.36 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 -0.93 2.90 -0.52 4.61 0.00 -0.50 -3.34 121.76 123.97 1p89 s ALA 138 Ca 0.00 0.87 -0.02 0.00 0.00 0.00 0.00 51.96 52.82 1p89 s ALA 138 Cb 0.00 -3.36 0.14 0.00 0.00 0.00 0.00 23.12 19.89 1p89 s ALA 138 CO 0.00 -0.65 0.31 0.15 0.00 0.00 0.00 175.76 175.58 1p89 s LYS 139 N -2.87 2.23 0.48 0.00 1.02 -0.02 -4.35 119.74 116.22 1p89 s LYS 139 Ca 0.66 -2.26 0.04 0.00 0.02 0.00 0.00 55.97 54.43 1p89 s LYS 139 Cb -0.26 -3.59 -0.03 0.00 -0.52 0.00 0.00 37.83 33.42 1p89 s LYS 139 CO 0.31 -1.12 0.07 0.42 -0.92 0.00 0.00 175.35 174.12 1p89 s ILE 140 N 0.38 1.56 0.00 2.17 1.01 -1.26 0.94 121.20 126.00 1p89 s ILE 140 Ca 0.14 -1.91 0.00 0.00 0.00 0.00 0.00 60.65 58.88 1p89 s ILE 140 Cb -0.22 -2.46 0.00 0.00 0.01 0.00 0.00 42.46 39.79 1p89 s ILE 140 CO -0.04 0.00 0.00 1.07 0.00 0.00 0.00 174.94 175.97 1p89 n THR 141 N -1.24 0.00 -3.64 2.92 5.66 -0.58 -4.91 114.28 112.48 1p89 n THR 141 Ca -0.12 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.59 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 -4.88 0.97 -0.70 1.09 2.02 -1.26 -3.69 117.35 110.89 1p89 s TYR 142 Ca 0.00 -1.24 0.21 0.00 -0.37 0.00 0.00 57.07 55.68 1p89 s TYR 142 Cb 0.00 -1.26 0.87 0.00 -0.40 0.00 0.00 41.96 41.17 1p89 s TYR 142 CO 0.00 -0.83 1.66 1.28 -1.57 0.00 0.00 175.55 176.09 1p89 n LEU 143 N 5.06 0.44 0.00 -1.29 7.99 -1.09 -4.60 117.00 123.51 1p89 n LEU 143 Ca -0.04 0.60 0.00 0.00 -0.01 0.00 0.00 56.01 56.55 1p89 n LEU 143 Cb 0.42 -0.52 0.00 0.00 -0.11 0.00 0.00 43.42 43.21 1p89 n LEU 143 CO 0.08 -0.39 0.00 -0.62 -1.51 0.00 0.00 177.39 174.95 1p89 n GLU 144 N -1.97 0.00 -4.31 3.23 1.02 -1.26 -5.05 120.64 112.30 1p89 n GLU 144 Ca 0.03 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.92 1p89 n GLU 144 Cb 0.24 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.53 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 -0.84 1.18 0.12 3.49 -0.21 -1.26 -5.11 119.66 117.02 1p89 s GLN 145 Ca 0.00 -1.21 -0.31 0.00 0.02 0.00 0.00 55.36 53.86 1p89 s GLN 145 Cb 0.00 -1.48 -0.08 0.00 1.00 0.00 0.00 33.01 32.45 1p89 s GLN 145 CO 0.00 0.34 1.37 -1.21 -2.12 0.00 0.00 175.29 173.68 1p89 s GLU 146 N -1.98 4.33 -0.75 2.91 2.02 -1.26 -3.30 118.70 120.66 1p89 s GLU 146 Ca 0.08 2.06 -0.00 0.00 0.02 0.00 0.00 54.97 57.13 1p89 s GLU 146 Cb -0.10 -3.25 -0.00 0.00 0.10 0.00 0.00 34.13 30.88 1p89 s GLU 146 CO 0.05 -0.41 0.63 0.09 0.02 0.00 0.00 175.26 175.63 1p89 n ASN 147 N 3.83 -2.04 -3.68 -0.19 4.13 -1.26 -4.93 115.26 111.12 1p89 n ASN 147 Ca 0.11 -0.39 -0.13 0.00 1.68 0.00 0.00 54.58 55.85 1p89 n ASN 147 Cb 0.43 -3.40 -0.07 0.00 -1.54 0.00 0.00 39.78 35.20 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 -3.23 1.04 0.33 3.10 2.02 -1.21 -2.64 117.35 116.77 1p89 s TYR 148 Ca 0.00 -1.25 0.12 0.00 -0.37 0.00 0.00 57.07 55.57 1p89 s TYR 148 Cb -0.00 -0.25 1.00 0.00 -0.40 0.00 0.00 41.96 42.31 1p89 s TYR 148 CO 0.46 -0.94 1.68 -1.00 -1.57 0.00 0.00 175.55 174.18 1p89 h PRO 149 N 2.28 0.36 -5.75 -1.71 0.13 -1.77 -3.39 132.00 122.14 1p89 h PRO 149 Ca -0.29 -0.02 -0.49 0.00 -0.87 0.00 0.00 66.00 64.33 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 0.41 0.24 1.55 -1.25 -0.23 0.00 0.00 178.00 178.72 1p89 s PRO 150 N -5.72 2.35 -0.04 1.56 0.04 -1.24 -3.44 135.00 128.51 1p89 s PRO 150 Ca -0.10 1.30 -0.01 0.00 0.04 0.00 0.00 61.00 62.23 1p89 s PRO 150 Cb 0.29 -4.51 0.03 0.00 0.04 0.00 0.00 34.50 30.35 1p89 s PRO 150 CO 0.79 -3.00 0.04 -0.51 0.04 0.00 0.00 177.00 174.35 1p89 s LEU 151 N 10.99 0.54 -0.34 -3.56 1.43 -1.03 -2.67 118.68 124.04 1p89 s LEU 151 Ca 0.91 0.04 -0.09 0.00 -1.03 0.00 0.00 54.13 53.96 1p89 s LEU 151 Cb -0.18 -0.17 0.02 0.00 0.03 0.00 0.00 46.19 45.89 1p89 s LEU 151 CO 0.26 -0.20 0.15 -0.60 0.23 0.00 0.00 176.35 176.19 1p89 s ARG 152 N 1.74 2.95 0.33 1.70 3.52 -1.24 0.20 118.95 128.15 1p89 s ARG 152 Ca -0.00 -0.98 -0.00 0.00 -0.13 0.00 0.00 55.73 54.62 1p89 s ARG 152 Cb -0.12 -3.57 -0.04 0.00 -1.56 0.00 0.00 34.95 29.66 1p89 s ARG 152 CO -0.03 -0.58 0.54 -0.51 -0.81 0.00 0.00 175.30 173.91 1p89 s LEU 153 N 1.53 4.03 0.00 -0.88 1.43 0.41 -1.53 118.68 123.66 1p89 s LEU 153 Ca 0.02 0.49 0.08 0.00 -1.03 0.00 0.00 54.13 53.69 1p89 s LEU 153 Cb -0.18 -3.34 0.14 0.00 0.03 0.00 0.00 46.19 42.84 1p89 s LEU 153 CO 0.05 -0.27 0.97 0.00 0.23 0.00 0.00 176.35 177.33 1p89 n GLN 154 N -1.60 0.00 0.00 1.70 6.02 0.27 -1.70 117.38 122.07 1p89 n GLN 154 Ca -0.04 -1.16 0.00 0.00 -0.01 0.00 0.00 57.00 55.79 1p89 n GLN 154 Cb 0.56 -0.11 0.00 0.00 1.02 0.00 0.00 30.24 31.70 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 0.16 0.62 0.00 1.08 0.00 -0.95 -3.62 105.19 102.48 1p89 n GLY 155 Ca -0.02 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 0.36 3.59 -0.02 0.00 0.95 -0.84 105.19 109.22 1p89 n GLY 156 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 1.23 -0.20 1.61 5.36 0.28 -3.77 117.98 120.49 1p89 s PHE 157 Ca 0.00 0.79 -0.11 0.00 -0.96 0.00 0.00 56.93 56.66 1p89 s PHE 157 Cb 0.00 -3.88 -0.09 0.00 -0.34 0.00 0.00 43.02 38.72 1p89 s PHE 157 CO 0.00 -3.54 -0.27 0.25 -1.46 0.00 0.00 175.22 170.20 1p89 n THR 158 N 7.76 1.16 -0.62 0.12 -2.24 -0.80 -4.30 114.28 115.37 1p89 n THR 158 Ca 0.30 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1p89 n THR 158 Cb 0.48 -1.81 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 1.73 0.73 0.00 3.38 0.00 0.20 0.52 105.19 111.74 1p89 n GLY 159 Ca -0.38 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 43.86 1p89 n GLY 159 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p89 n GLY 160 N 0.00 2.37 3.70 -0.02 0.00 -0.43 -4.21 105.19 106.60 1p89 n GLY 160 Ca 0.00 -2.11 -0.42 0.00 0.00 0.00 0.00 46.02 43.49 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 6.48 0.06 1.61 2.47 -1.26 -1.64 114.94 122.66 1p89 s ASN 161 Ca 0.00 2.69 0.02 0.00 0.42 0.00 0.00 52.86 55.99 1p89 s ASN 161 Cb 0.00 -2.58 -0.03 0.00 -1.45 0.00 0.00 41.25 37.19 1p89 s ASN 161 CO 0.00 -0.95 -0.07 -0.69 -3.72 0.00 0.00 177.10 171.68 1p89 s VAL 162 N 2.23 0.54 -0.20 -5.21 1.01 0.51 -4.87 120.40 114.41 1p89 s VAL 162 Ca 0.77 -1.44 0.01 0.00 0.00 0.00 0.00 61.98 61.32 1p89 s VAL 162 Cb -0.45 -1.05 0.03 0.00 0.00 0.00 0.00 36.38 34.91 1p89 s VAL 162 CO 0.34 -0.62 -0.16 -1.81 0.00 0.00 0.00 175.10 172.84 1p89 s ASP 163 N -2.22 3.41 -0.01 3.32 1.11 -1.26 0.14 116.67 121.16 1p89 s ASP 163 Ca -0.01 -0.83 0.07 0.00 0.18 0.00 0.00 52.55 51.96 1p89 s ASP 163 Cb -0.03 -1.44 -0.02 0.00 1.07 0.00 0.00 42.92 42.50 1p89 s ASP 163 CO -0.02 -0.06 -0.23 0.54 1.18 0.00 0.00 175.17 176.57 1p89 s VAL 164 N 1.28 2.29 0.14 -1.27 0.11 0.87 -4.60 120.40 119.21 1p89 s VAL 164 Ca 0.01 -1.08 -0.30 0.00 -2.93 0.00 0.00 61.98 57.69 1p89 s VAL 164 Cb -0.15 -1.83 -0.07 0.00 -1.53 0.00 0.00 36.38 32.80 1p89 s VAL 164 CO -0.10 0.54 1.00 -1.81 -3.33 0.00 0.00 175.10 171.40 1p89 s ASP 165 N -0.75 7.44 -0.01 3.54 1.11 -1.26 -0.60 116.67 126.13 1p89 s ASP 165 Ca 0.11 1.90 -0.21 0.00 0.18 0.00 0.00 52.55 54.53 1p89 s ASP 165 Cb -0.10 -2.59 -0.24 0.00 1.07 0.00 0.00 42.92 41.05 1p89 s ASP 165 CO -0.00 -0.10 1.06 1.23 1.18 0.00 0.00 175.17 178.55 1p89 h GLY 166 N 5.33 0.42 -1.92 0.21 0.00 -1.74 -3.43 103.07 101.93 1p89 h GLY 166 Ca -0.43 -0.76 -0.50 0.00 0.00 0.00 0.00 47.33 45.63 1p89 h GLY 166 CO 0.72 0.67 -1.20 1.44 0.00 0.00 0.00 176.54 178.17 1p89 n SER 167 N -4.24 -2.86 -2.26 0.19 7.64 -0.94 -3.27 113.62 107.88 1p89 n SER 167 Ca -0.11 0.10 -0.08 0.00 1.01 0.00 0.00 58.87 59.80 1p89 n SER 167 Cb 0.67 -0.97 0.04 0.00 -1.01 0.00 0.00 64.21 62.94 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 -3.74 -3.88 -1.56 0.44 0.31 -1.26 -4.82 118.33 103.82 1p89 n VAL 168 Ca 0.02 -0.44 0.08 0.00 -0.01 0.00 0.00 64.34 63.99 1p89 n VAL 168 Cb 0.60 -4.18 -0.04 0.00 -0.91 0.00 0.00 33.84 29.30 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 -2.18 -8.40 0.00 4.52 7.64 -1.26 -4.43 113.62 109.52 1p89 n SER 169 Ca -0.09 1.75 0.12 0.00 1.01 0.00 0.00 58.87 61.66 1p89 n SER 169 Cb 0.57 -5.19 0.72 0.00 -1.01 0.00 0.00 64.21 59.31 1p89 n SER 169 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1p89 n SER 170 N -3.39 0.00 0.21 6.43 3.41 -1.26 -3.72 113.62 115.29 1p89 n SER 170 Ca -0.04 -0.98 0.18 0.00 -0.26 0.00 0.00 58.87 57.77 1p89 n SER 170 Cb 0.58 0.00 0.79 0.00 -0.26 0.00 0.00 64.21 65.33 1p89 n SER 170 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1p89 h GLN 171 N 0.00 0.00 0.11 4.33 1.08 -1.88 1.54 115.11 120.29 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 -0.05 0.74 -0.95 0.00 0.00 178.83 178.57 1p89 h PHE 172 N 0.00 -0.14 -0.17 2.96 -1.00 -1.81 -2.74 116.94 114.04 1p89 h PHE 172 Ca 0.10 -0.00 -0.19 0.00 2.81 0.00 0.00 57.97 60.68 1p89 h PHE 172 Cb 0.83 0.05 0.01 0.00 3.61 0.00 0.00 35.95 40.45 1p89 h PHE 172 CO 0.00 0.24 -0.65 1.25 -1.61 0.00 0.00 178.31 177.54 1p89 h LEU 173 N -0.97 0.87 -1.55 1.54 5.85 -1.61 -2.64 115.31 116.80 1p89 h LEU 173 Ca -0.02 -0.61 0.11 0.00 0.84 0.00 0.00 57.88 58.20 1p89 h LEU 173 Cb 0.44 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 1p89 h LEU 173 CO 0.02 1.33 0.45 0.74 -0.34 0.00 0.00 178.44 180.65 1p89 h THR 174 N 0.45 0.89 0.04 1.05 2.02 0.20 0.87 112.91 118.43 1p89 h THR 174 Ca -0.03 -0.17 -0.00 0.00 0.77 0.00 0.00 66.41 66.97 1p89 h THR 174 Cb 1.28 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 68.05 1p89 h THR 174 CO 0.14 0.09 -0.02 0.00 0.37 0.00 0.00 175.52 176.10 1p89 h ALA 175 N 1.66 -0.05 -0.44 6.16 0.00 -1.36 -2.22 119.26 123.00 1p89 h ALA 175 Ca 0.32 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1p89 h ALA 175 Cb 0.57 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1p89 h ALA 175 CO -0.10 -0.26 -0.17 -0.07 0.00 0.00 0.00 179.25 178.65 1p89 h LEU 176 N -0.60 0.85 -1.78 0.00 3.38 -1.01 0.60 115.31 116.75 1p89 h LEU 176 Ca -0.01 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 1p89 h LEU 176 Cb 0.54 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1p89 h LEU 176 CO 0.01 1.01 -0.15 -0.07 0.09 0.00 0.00 178.44 179.33 1p89 h LEU 177 N 0.75 0.00 0.00 1.67 3.38 0.69 1.44 115.31 123.24 1p89 h LEU 177 Ca 0.11 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.78 1p89 h LEU 177 Cb 0.69 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.38 1p89 h LEU 177 CO 0.05 0.15 -2.10 0.23 0.09 0.00 0.00 178.44 176.86 1p89 n MET 178 N -3.68 0.67 -0.05 1.13 2.81 -0.84 -4.09 117.12 113.07 1p89 n MET 178 Ca -0.02 0.07 -0.21 0.00 -1.81 0.00 0.00 57.70 55.73 1p89 n MET 178 Cb 0.27 -1.62 -0.13 0.00 -0.71 0.00 0.00 33.22 31.04 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 0.87 -0.69 2.03 2.02 0.49 -3.39 112.91 114.24 1p89 h THR 179 Ca -0.40 -2.26 -0.00 0.00 0.77 0.00 0.00 66.41 64.51 1p89 h THR 179 Cb 2.03 2.41 -0.03 0.00 -1.74 0.00 0.00 68.15 70.81 1p89 h THR 179 CO 0.04 0.55 0.41 0.00 0.37 0.00 0.00 175.52 176.89 1p89 h ALA 180 N -0.25 1.43 -0.92 6.16 0.00 0.18 -2.66 119.26 123.19 1p89 h ALA 180 Ca -0.35 -0.08 0.16 0.00 0.00 0.00 0.00 54.91 54.64 1p89 h ALA 180 Cb 1.58 -0.28 -0.08 0.00 0.00 0.00 0.00 17.79 19.01 1p89 h ALA 180 CO -0.08 0.49 0.59 -1.00 0.00 0.00 0.00 179.25 179.25 1p89 h PRO 181 N 0.94 0.64 -0.00 0.00 0.13 -1.71 0.38 132.00 132.39 1p89 h PRO 181 Ca 0.25 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 1p89 h PRO 181 Cb -0.03 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 30.95 1p89 h PRO 181 CO -0.05 0.43 -0.16 1.28 -0.23 0.00 0.00 178.00 179.27 1p89 n LEU 182 N -4.59 0.36 -4.66 1.56 4.32 -1.02 0.11 117.00 113.08 1p89 n LEU 182 Ca 0.19 0.13 -0.42 0.00 -0.02 0.00 0.00 56.01 55.88 1p89 n LEU 182 Cb 0.53 -0.27 -0.03 0.00 -1.62 0.00 0.00 43.42 42.03 1p89 n LEU 182 CO 0.28 0.07 1.36 0.00 -1.22 0.00 0.00 177.39 177.88 1p89 s ALA 183 N -2.70 3.58 0.44 -1.18 0.00 0.13 -4.07 121.76 117.97 1p89 s ALA 183 Ca 0.22 0.87 0.38 0.00 0.00 0.00 0.00 51.96 53.43 1p89 s ALA 183 Cb 0.19 -3.75 1.43 0.00 0.00 0.00 0.00 23.12 21.00 1p89 s ALA 183 CO 0.53 -1.44 1.37 -2.30 0.00 0.00 0.00 175.76 173.92 1p89 n PRO 184 N 7.16 -0.01 -4.04 0.00 -0.01 -1.21 0.40 135.00 137.28 1p89 n PRO 184 Ca 0.17 1.02 -0.29 0.00 -0.01 0.00 0.00 63.50 64.39 1p89 n PRO 184 Cb 0.43 -2.19 -0.06 0.00 -0.01 0.00 0.00 33.50 31.67 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 -4.81 2.96 -0.12 -0.52 8.01 0.18 -3.79 118.70 120.62 1p89 s GLU 185 Ca -0.05 -0.72 -0.29 0.00 0.01 0.00 0.00 54.97 53.91 1p89 s GLU 185 Cb 0.25 -2.74 -0.05 0.00 -4.31 0.00 0.00 34.13 27.28 1p89 s GLU 185 CO 0.76 0.54 1.77 0.34 0.01 0.00 0.00 175.26 178.68 1p89 s ASP 186 N -2.67 6.37 -0.15 -0.19 -1.08 -1.26 -3.71 116.67 113.98 1p89 s ASP 186 Ca 0.31 2.06 -0.07 0.00 -0.52 0.00 0.00 52.55 54.33 1p89 s ASP 186 Cb -0.12 -2.53 -0.04 0.00 -1.46 0.00 0.00 42.92 38.78 1p89 s ASP 186 CO 0.23 -1.20 0.08 -0.89 0.52 0.00 0.00 175.17 173.91 1p89 s THR 187 N 5.08 5.01 -0.34 1.71 2.01 -0.55 -1.32 115.64 127.25 1p89 s THR 187 Ca 0.79 0.03 0.02 0.00 0.31 0.00 0.00 61.69 62.84 1p89 s THR 187 Cb -0.32 -3.21 0.10 0.00 0.01 0.00 0.00 72.50 69.08 1p89 s THR 187 CO 0.32 0.53 0.08 -0.69 -0.69 0.00 0.00 174.62 174.18 1p89 s VAL 188 N -0.30 1.66 0.12 3.82 1.01 -0.65 0.88 120.40 126.94 1p89 s VAL 188 Ca 0.09 -1.98 -0.15 0.00 0.00 0.00 0.00 61.98 59.94 1p89 s VAL 188 Cb -0.12 -2.23 -0.07 0.00 0.00 0.00 0.00 36.38 33.96 1p89 s VAL 188 CO 0.01 -0.65 0.54 -0.63 0.00 0.00 0.00 175.10 174.37 1p89 s ILE 189 N 1.15 4.85 0.43 2.22 1.01 -0.61 0.19 121.20 130.44 1p89 s ILE 189 Ca 0.11 0.90 0.07 0.00 0.00 0.00 0.00 60.65 61.72 1p89 s ILE 189 Cb -0.19 -3.76 -0.05 0.00 0.01 0.00 0.00 42.46 38.47 1p89 s ILE 189 CO -0.15 0.33 0.16 0.00 0.00 0.00 0.00 174.94 175.28 1p89 s ARG 190 N -1.72 2.18 -0.49 2.79 1.70 0.37 0.35 118.95 124.13 1p89 s ARG 190 Ca 0.35 -1.94 -0.05 0.00 -0.47 0.00 0.00 55.73 53.62 1p89 s ARG 190 Cb -0.16 -1.90 0.13 0.00 -0.57 0.00 0.00 34.95 32.45 1p89 s ARG 190 CO 0.19 -0.16 0.32 0.42 -1.08 0.00 0.00 175.30 174.98 1p89 s ILE 191 N -2.65 3.71 0.00 4.99 -1.09 0.74 -0.09 121.20 126.80 1p89 s ILE 191 Ca 0.37 -2.23 0.00 0.00 -2.23 0.00 0.00 60.65 56.56 1p89 s ILE 191 Cb 0.04 -3.47 0.00 0.00 -1.58 0.00 0.00 42.46 37.45 1p89 s ILE 191 CO 0.20 -0.77 0.43 0.29 -1.23 0.00 0.00 174.94 173.86 1p89 n LYS 192 N 4.37 0.00 -1.84 2.79 5.02 0.23 -4.83 118.16 123.91 1p89 n LYS 192 Ca -0.01 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 55.99 1p89 n LYS 192 Cb 0.40 -0.92 0.08 0.00 -0.02 0.00 0.00 35.03 34.57 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 -0.05 1.60 0.11 0.72 0.00 -1.26 -4.88 107.32 103.56 1p89 s GLY 193 Ca 0.00 -0.51 -0.31 0.00 0.00 0.00 0.00 44.72 43.90 1p89 s GLY 193 CO 0.00 -0.06 1.84 -0.35 0.00 0.00 0.00 173.10 174.54 1p89 s ASP 194 N -4.41 6.43 0.55 1.64 -1.08 -1.26 -3.01 116.67 115.52 1p89 s ASP 194 Ca 0.61 2.75 -0.22 0.00 -0.52 0.00 0.00 52.55 55.17 1p89 s ASP 194 Cb -0.12 -2.56 -0.05 0.00 -1.46 0.00 0.00 42.92 38.73 1p89 s ASP 194 CO 0.51 -1.01 1.33 -0.11 0.52 0.00 0.00 175.17 176.41 1p89 n LEU 195 N 5.88 5.38 -0.01 -1.34 7.94 -1.26 -2.22 117.00 131.37 1p89 n LEU 195 Ca 0.18 0.97 0.08 0.00 -1.11 0.00 0.00 56.01 56.13 1p89 n LEU 195 Cb 0.38 -1.56 -0.13 0.00 0.53 0.00 0.00 43.42 42.64 1p89 n LEU 195 CO 0.66 -0.67 -0.61 0.55 -1.11 0.00 0.00 177.39 176.21 1p89 n VAL 196 N -1.06 0.00 -2.49 1.96 3.14 -1.20 -4.50 118.33 114.17 1p89 n VAL 196 Ca 0.11 -0.35 -0.16 0.00 -2.96 0.00 0.00 64.34 60.97 1p89 n VAL 196 Cb 0.45 0.23 0.02 0.00 -1.06 0.00 0.00 33.84 33.48 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 -2.00 3.27 -0.30 6.55 7.64 -1.26 -4.90 113.62 122.62 1p89 n SER 197 Ca -0.02 -3.12 -0.11 0.00 1.01 0.00 0.00 58.87 56.63 1p89 n SER 197 Cb 0.42 -0.45 -0.09 0.00 -1.01 0.00 0.00 64.21 63.07 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 2.60 -0.12 0.00 1.43 3.64 -1.96 0.46 116.57 122.62 1p89 h LYS 198 Ca 0.12 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1p89 h LYS 198 Cb 1.20 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1p89 h LYS 198 CO 0.60 -0.08 0.00 -1.35 -2.27 0.00 0.00 179.45 176.35 1p89 h PRO 199 N -0.12 0.00 0.00 1.90 0.11 -1.98 -2.61 132.00 129.30 1p89 h PRO 199 Ca 0.12 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.12 1p89 h PRO 199 Cb 0.43 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.53 1p89 h PRO 199 CO -0.75 0.00 -0.51 1.88 -0.21 0.00 0.00 178.00 178.40 1p89 h TYR 200 N 0.00 0.00 -0.01 0.65 -1.99 -0.58 -3.14 116.97 111.90 1p89 h TYR 200 Ca 0.00 0.00 -0.17 0.00 2.00 0.00 0.00 58.73 60.56 1p89 h TYR 200 Cb 0.44 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.15 1p89 h TYR 200 CO 0.00 0.51 -0.79 0.97 -0.00 0.00 0.00 178.16 178.85 1p89 h ILE 201 N 0.00 1.51 -0.38 -2.88 6.09 -0.52 -3.07 117.51 118.25 1p89 h ILE 201 Ca -0.01 -2.54 -0.02 0.00 -1.37 0.00 0.00 64.86 60.92 1p89 h ILE 201 Cb 1.21 2.38 -0.02 0.00 0.47 0.00 0.00 36.82 40.87 1p89 h ILE 201 CO 0.07 0.73 0.14 -0.78 -3.07 0.00 0.00 178.15 175.24 1p89 h ASP 202 N 0.07 0.48 0.46 2.19 3.58 -1.59 -0.30 116.42 121.30 1p89 h ASP 202 Ca -0.02 -0.05 -0.06 0.00 0.42 0.00 0.00 57.03 57.32 1p89 h ASP 202 Cb 1.38 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 42.30 1p89 h ASP 202 CO 0.11 0.45 -0.27 0.40 -2.88 0.00 0.00 179.24 177.05 1p89 h ILE 203 N 0.53 0.93 0.73 2.25 2.04 -1.60 0.24 117.51 122.63 1p89 h ILE 203 Ca 0.13 -1.01 -0.04 0.00 1.00 0.00 0.00 64.86 64.95 1p89 h ILE 203 Cb 0.12 1.59 0.01 0.00 -0.74 0.00 0.00 36.82 37.80 1p89 h ILE 203 CO -0.01 0.26 -0.35 0.74 0.00 0.00 0.00 178.15 178.79 1p89 h THR 204 N 0.00 0.26 -0.07 -0.27 2.02 -1.07 0.42 112.91 114.21 1p89 h THR 204 Ca -0.00 -0.06 -0.12 0.00 0.77 0.00 0.00 66.41 67.00 1p89 h THR 204 Cb 0.57 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 1p89 h THR 204 CO 0.03 0.01 -0.50 -0.07 0.37 0.00 0.00 175.52 175.36 1p89 h LEU 205 N -1.02 0.21 -1.28 2.58 3.38 -1.40 0.07 115.31 117.84 1p89 h LEU 205 Ca -0.10 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.70 1p89 h LEU 205 Cb 0.76 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1p89 h LEU 205 CO 0.16 0.68 -0.32 0.78 0.09 0.00 0.00 178.44 179.83 1p89 h ASN 206 N 0.15 0.07 -0.00 -0.43 2.35 -0.33 0.36 115.58 117.74 1p89 h ASN 206 Ca 0.01 -0.02 -0.10 0.00 -0.55 0.00 0.00 56.30 55.63 1p89 h ASN 206 Cb 0.94 -0.02 0.01 0.00 0.05 0.00 0.00 38.32 39.30 1p89 h ASN 206 CO 0.08 0.39 -0.39 -0.07 -1.65 0.00 0.00 177.43 175.78 1p89 h LEU 207 N 0.06 0.35 -0.88 1.61 -0.00 0.37 -2.56 115.31 114.26 1p89 h LEU 207 Ca 0.01 -0.76 -0.04 0.00 -0.00 0.00 0.00 57.88 57.09 1p89 h LEU 207 Cb 0.60 -0.11 -0.04 0.00 -0.00 0.00 0.00 40.66 41.11 1p89 h LEU 207 CO 0.04 1.07 0.36 0.24 -0.00 0.00 0.00 178.44 180.15 1p89 h MET 208 N -0.33 1.17 -0.41 1.13 2.86 -0.66 -2.15 114.93 116.54 1p89 h MET 208 Ca -0.05 -0.19 -0.11 0.00 -2.06 0.00 0.00 59.70 57.30 1p89 h MET 208 Cb 1.12 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.57 1p89 h MET 208 CO 0.08 0.92 -0.16 1.57 1.06 0.00 0.00 176.91 180.38 1p89 h LYS 209 N 1.16 0.82 0.00 1.72 2.10 0.17 0.12 116.57 122.66 1p89 h LYS 209 Ca 0.27 -0.35 -0.01 0.00 -2.00 0.00 0.00 60.65 58.56 1p89 h LYS 209 Cb 0.16 -0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 31.45 1p89 h LYS 209 CO -0.03 0.98 -0.07 1.15 -2.00 0.00 0.00 179.45 179.48 1p89 h THR 210 N 0.64 0.86 0.02 0.07 2.02 -1.21 -2.68 112.91 112.63 1p89 h THR 210 Ca 0.09 -0.25 -0.00 0.00 0.77 0.00 0.00 66.41 67.03 1p89 h THR 210 Cb 0.71 1.14 0.00 0.00 -1.74 0.00 0.00 68.15 68.26 1p89 h THR 210 CO 0.05 0.07 -0.01 -0.26 0.37 0.00 0.00 175.52 175.74 1p89 h PHE 211 N 0.00 -0.02 0.00 3.16 -1.00 -0.96 -3.44 116.94 114.68 1p89 h PHE 211 Ca -0.00 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1p89 h PHE 211 Cb 0.13 0.01 0.00 0.00 3.61 0.00 0.00 35.95 39.70 1p89 h PHE 211 CO 0.00 0.71 0.00 0.41 -1.61 0.00 0.00 178.31 177.82 1p89 n GLY 212 N 1.08 -0.13 3.37 -1.45 0.00 -0.41 -2.55 105.19 105.09 1p89 n GLY 212 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 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 2.48 0.08 1.61 1.01 0.28 -4.75 120.40 121.10 1p89 s VAL 213 Ca 0.00 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.07 1p89 s VAL 213 Cb 0.00 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 1p89 s VAL 213 CO 0.00 0.58 -0.09 -1.61 0.00 0.00 0.00 175.10 173.98 1p89 s GLU 214 N -0.57 0.75 0.35 2.72 2.02 -1.26 -0.87 118.70 121.85 1p89 s GLU 214 Ca 0.08 -1.05 0.04 0.00 0.02 0.00 0.00 54.97 54.06 1p89 s GLU 214 Cb -0.11 -0.44 -0.04 0.00 0.10 0.00 0.00 34.13 33.65 1p89 s GLU 214 CO 0.00 0.07 0.13 0.96 0.02 0.00 0.00 175.26 176.44 1p89 s ILE 215 N -2.19 0.61 -0.17 -1.63 -5.25 -1.26 -4.38 121.20 106.93 1p89 s ILE 215 Ca 0.01 -2.00 -0.20 0.00 -0.99 0.00 0.00 60.65 57.47 1p89 s ILE 215 Cb -0.04 -2.49 -0.03 0.00 2.95 0.00 0.00 42.46 42.84 1p89 s ILE 215 CO -0.00 0.00 0.58 -0.70 -1.79 0.00 0.00 174.94 173.03 1p89 s GLU 216 N -3.78 4.26 -0.51 0.37 2.12 0.47 -4.96 118.70 116.66 1p89 s GLU 216 Ca 0.31 0.57 -0.15 0.00 0.36 0.00 0.00 54.97 56.06 1p89 s GLU 216 Cb 0.05 -3.53 0.12 0.00 0.26 0.00 0.00 34.13 31.02 1p89 s GLU 216 CO 0.16 -0.10 0.45 0.54 -0.54 0.00 0.00 175.26 175.77 1p89 s ASN 217 N 1.02 6.09 0.62 -1.70 2.20 -1.26 -0.87 114.94 121.04 1p89 s ASN 217 Ca 0.28 -1.72 0.00 0.00 -0.94 0.00 0.00 52.86 50.48 1p89 s ASN 217 Cb -0.16 -2.17 0.00 0.00 -2.00 0.00 0.00 41.25 36.92 1p89 s ASN 217 CO 0.11 -0.79 0.00 1.67 -2.94 0.00 0.00 177.10 175.15 1p89 n GLN 218 N 5.18 -0.42 -0.74 3.55 0.00 -0.81 -4.75 117.38 119.39 1p89 n GLN 218 Ca -0.13 0.00 -0.08 0.00 -0.00 0.00 0.00 57.00 56.79 1p89 n GLN 218 Cb 0.41 0.00 -0.11 0.00 0.00 0.00 0.00 30.24 30.53 1p89 n GLN 218 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.06 178.64 1p89 n HIS 219 N -1.88 0.00 -1.63 3.69 -0.00 -1.26 -4.54 115.22 109.59 1p89 n HIS 219 Ca 0.00 -1.14 -0.18 0.00 -0.00 0.00 0.00 57.72 56.39 1p89 n HIS 219 Cb 0.00 -1.22 -0.07 0.00 -0.00 0.00 0.00 29.99 28.70 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 2.43 -0.26 -0.01 1.57 4.01 -1.26 -4.74 117.16 118.90 1p89 n TYR 220 Ca 0.29 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 58.05 1p89 n TYR 220 Cb 0.69 -3.21 -0.06 0.00 -0.31 0.00 0.00 39.34 36.45 1p89 n TYR 220 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 1p89 n GLN 221 N -2.29 0.96 -3.78 -0.72 7.27 -1.26 -4.81 117.38 112.74 1p89 n GLN 221 Ca -0.19 -0.05 -0.13 0.00 0.07 0.00 0.00 57.00 56.71 1p89 n GLN 221 Cb 0.60 -1.18 -0.11 0.00 2.41 0.00 0.00 30.24 31.96 1p89 n GLN 221 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 1p89 s GLN 222 N -2.43 0.32 -0.49 3.69 -0.21 -1.26 0.26 119.66 119.55 1p89 s GLN 222 Ca -0.03 0.35 -0.03 0.00 0.02 0.00 0.00 55.36 55.67 1p89 s GLN 222 Cb 0.04 0.15 0.13 0.00 1.00 0.00 0.00 33.01 34.33 1p89 s GLN 222 CO 0.31 -0.04 0.29 -0.06 -2.12 0.00 0.00 175.29 173.67 1p89 s PHE 223 N 0.10 3.52 -0.44 0.91 0.40 1.09 -1.92 117.98 121.64 1p89 s PHE 223 Ca -0.00 -2.49 -0.26 0.00 -0.60 0.00 0.00 56.93 53.57 1p89 s PHE 223 Cb -0.02 -3.23 0.02 0.00 0.51 0.00 0.00 43.02 40.30 1p89 s PHE 223 CO 0.00 -0.93 0.96 0.08 0.70 0.00 0.00 175.22 176.03 1p89 s VAL 224 N 0.74 4.46 -0.32 -0.44 1.01 -0.05 -1.57 120.40 124.22 1p89 s VAL 224 Ca 0.11 0.93 -0.13 0.00 0.00 0.00 0.00 61.98 62.90 1p89 s VAL 224 Cb -0.22 -4.44 -0.03 0.00 0.00 0.00 0.00 36.38 31.70 1p89 s VAL 224 CO -0.04 -0.79 0.24 0.68 0.00 0.00 0.00 175.10 175.19 1p89 s VAL 225 N 3.79 5.28 -0.42 2.92 -7.23 0.26 0.18 120.40 125.18 1p89 s VAL 225 Ca 0.39 -0.07 -0.27 0.00 -1.81 0.00 0.00 61.98 60.22 1p89 s VAL 225 Cb -0.10 -3.67 -0.05 0.00 0.56 0.00 0.00 36.38 33.12 1p89 s VAL 225 CO 0.25 0.06 2.20 -0.54 -0.31 0.00 0.00 175.10 176.76 1p89 s LYS 226 N 1.76 2.61 0.76 4.82 3.01 -1.26 -1.48 119.74 129.96 1p89 s LYS 226 Ca 0.07 1.45 -0.15 0.00 -1.01 0.00 0.00 55.97 56.33 1p89 s LYS 226 Cb -0.17 -4.45 0.03 0.00 -1.01 0.00 0.00 37.83 32.23 1p89 s LYS 226 CO 0.11 -2.70 0.99 0.41 0.51 0.00 0.00 175.35 174.66 1p89 n GLY 227 N 5.82 -0.43 1.44 -3.33 0.00 -1.24 -3.37 105.19 104.07 1p89 n GLY 227 Ca 0.31 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 0.98 0.69 3.48 -0.02 0.00 0.16 -4.67 105.19 105.82 1p89 n GLY 228 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.57 -2.78 -3.15 1.61 1.13 0.30 -4.92 117.38 107.00 1p89 n GLN 229 Ca 0.00 -1.76 0.05 0.00 -1.94 0.00 0.00 57.00 53.35 1p89 n GLN 229 Cb 0.00 -1.55 -0.01 0.00 0.11 0.00 0.00 30.24 28.79 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 -0.72 0.49 1.08 0.01 -1.26 -4.30 113.70 104.38 1p89 s SER 230 Ca 0.70 0.28 -0.22 0.00 1.31 0.00 0.00 55.95 58.02 1p89 s SER 230 Cb -0.06 1.53 -0.08 0.00 0.21 0.00 0.00 66.02 67.62 1p89 s SER 230 CO 0.53 -0.13 0.98 -1.22 0.41 0.00 0.00 173.24 173.81 1p89 n TYR 231 N 5.35 1.00 -4.20 2.43 4.01 -1.25 -4.60 117.16 119.90 1p89 n TYR 231 Ca 0.00 0.50 -0.28 0.00 -0.16 0.00 0.00 57.90 57.97 1p89 n TYR 231 Cb 0.55 -2.19 -0.08 0.00 -0.31 0.00 0.00 39.34 37.30 1p89 n TYR 231 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1p89 s GLN 232 N -2.28 2.37 -0.64 -0.72 -0.21 -1.06 -0.11 119.66 117.02 1p89 s GLN 232 Ca 0.67 -1.06 -0.28 0.00 0.02 0.00 0.00 55.36 54.72 1p89 s GLN 232 Cb -0.50 -2.37 0.02 0.00 1.00 0.00 0.00 33.01 31.16 1p89 s GLN 232 CO 0.54 0.48 1.35 -1.54 -2.12 0.00 0.00 175.29 173.99 1p89 s SER 233 N -2.73 6.15 0.14 5.90 1.04 -1.17 -4.39 113.70 118.64 1p89 s SER 233 Ca 0.26 -0.03 -0.06 0.00 0.48 0.00 0.00 55.95 56.60 1p89 s SER 233 Cb -0.10 -2.55 -0.05 0.00 0.10 0.00 0.00 66.02 63.42 1p89 s SER 233 CO 0.18 -1.75 1.36 -0.65 0.98 0.00 0.00 173.24 173.35 1p89 h PRO 234 N 10.61 0.57 0.00 4.02 0.11 -1.85 -3.49 132.00 141.96 1p89 h PRO 234 Ca -0.27 -0.48 0.00 0.00 0.11 0.00 0.00 66.00 65.36 1p89 h PRO 234 Cb 1.07 0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1p89 h PRO 234 CO 1.22 1.11 0.00 0.41 -0.21 0.00 0.00 178.00 180.53 1p89 n GLY 235 N 0.68 0.39 3.59 -0.55 0.00 -1.26 -5.01 105.19 103.03 1p89 n GLY 235 Ca -0.06 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.55 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 4.94 0.00 2.61 2.01 -1.26 0.83 115.64 124.78 1p89 s THR 236 Ca 0.00 0.71 0.07 0.00 0.31 0.00 0.00 61.69 62.78 1p89 s THR 236 Cb 0.00 -4.00 -0.02 0.00 0.01 0.00 0.00 72.50 68.49 1p89 s THR 236 CO 0.00 -0.18 -0.21 -0.47 -0.69 0.00 0.00 174.62 173.07 1p89 s TYR 237 N 2.58 1.86 -0.29 4.92 5.04 0.24 -4.91 117.35 126.79 1p89 s TYR 237 Ca 0.24 -0.36 -0.15 0.00 -2.44 0.00 0.00 57.07 54.35 1p89 s TYR 237 Cb -0.15 -1.17 -0.03 0.00 0.35 0.00 0.00 41.96 40.96 1p89 s TYR 237 CO 0.13 0.01 0.40 -1.17 -1.34 0.00 0.00 175.55 173.57 1p89 s LEU 238 N -0.70 4.13 0.00 6.97 2.96 -1.26 0.20 118.68 130.98 1p89 s LEU 238 Ca 0.08 0.19 0.00 0.00 -0.22 0.00 0.00 54.13 54.18 1p89 s LEU 238 Cb -0.08 -2.44 0.00 0.00 0.50 0.00 0.00 46.19 44.16 1p89 s LEU 238 CO 0.00 -0.25 0.95 0.52 -1.32 0.00 0.00 176.35 176.25 1p89 n VAL 239 N 5.17 0.00 -0.52 1.68 0.31 0.24 -4.83 118.33 120.38 1p89 n VAL 239 Ca -0.08 1.45 0.00 0.00 -0.01 0.00 0.00 64.34 65.70 1p89 n VAL 239 Cb 0.50 -2.43 0.00 0.00 -0.91 0.00 0.00 33.84 31.00 1p89 n VAL 239 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72