#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 -0.37 4.04 7.08 -1.91 -3.03 115.58 121.39 1p89 h ASN 26 Ca 0.00 0.00 -0.09 0.00 -3.08 0.00 0.00 56.30 53.13 1p89 h ASN 26 Cb 0.00 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.23 1p89 h ASN 26 CO 0.00 0.38 -0.11 0.03 -2.08 0.00 0.00 177.43 175.66 1p89 h ARG 27 N 0.00 0.73 0.05 4.14 -0.00 -2.00 -2.30 114.38 115.00 1p89 h ARG 27 Ca -0.08 -0.29 -0.23 0.00 -0.50 0.00 0.00 59.98 58.88 1p89 h ARG 27 Cb 1.36 -0.04 -0.00 0.00 0.00 0.00 0.00 29.97 31.29 1p89 h ARG 27 CO 0.04 0.89 -1.04 0.00 0.00 0.00 0.00 179.97 179.86 1p89 h ALA 28 N 0.82 0.31 -0.18 0.04 0.00 -1.98 -1.58 119.26 116.70 1p89 h ALA 28 Ca 0.09 -0.79 0.02 0.00 0.00 0.00 0.00 54.91 54.24 1p89 h ALA 28 Cb 0.63 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1p89 h ALA 28 CO 0.04 0.92 0.05 -0.07 0.00 0.00 0.00 179.25 180.20 1p89 h LEU 29 N 0.13 0.05 -0.01 0.00 3.38 -1.49 0.58 115.31 117.94 1p89 h LEU 29 Ca -0.09 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1p89 h LEU 29 Cb 1.71 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.48 1p89 h LEU 29 CO 0.17 0.05 -0.05 0.25 0.09 0.00 0.00 178.44 178.95 1p89 h LEU 30 N 0.13 0.07 -1.70 1.67 5.85 -1.49 -2.16 115.31 117.69 1p89 h LEU 30 Ca 0.08 -0.63 0.10 0.00 0.84 0.00 0.00 57.88 58.27 1p89 h LEU 30 Cb 0.06 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 1p89 h LEU 30 CO -0.09 0.68 0.38 -0.07 -0.34 0.00 0.00 178.44 179.00 1p89 h LEU 31 N -0.54 0.31 -0.49 2.25 3.38 -1.17 0.15 115.31 119.19 1p89 h LEU 31 Ca -0.00 0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.82 1p89 h LEU 31 Cb 0.68 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1p89 h LEU 31 CO 0.01 0.19 -0.75 0.00 0.09 0.00 0.00 178.44 177.98 1p89 h ALA 32 N 1.72 0.75 0.00 1.53 0.00 0.20 -2.73 119.26 120.72 1p89 h ALA 32 Ca 0.26 -0.68 -0.11 0.00 0.00 0.00 0.00 54.91 54.38 1p89 h ALA 32 Cb 0.57 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1p89 h ALA 32 CO -0.06 0.94 -0.54 0.00 0.00 0.00 0.00 179.25 179.59 1p89 h ALA 33 N 1.25 1.03 0.00 0.00 0.00 -0.05 -2.87 119.26 118.63 1p89 h ALA 33 Ca -0.01 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1p89 h ALA 33 Cb 1.33 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1p89 h ALA 33 CO 0.10 0.67 -0.61 1.28 0.00 0.00 0.00 179.25 180.69 1p89 n LEU 34 N -3.78 0.61 -4.91 0.00 4.77 -0.76 0.20 117.00 113.12 1p89 n LEU 34 Ca -0.01 0.14 -0.28 0.00 -0.03 0.00 0.00 56.01 55.83 1p89 n LEU 34 Cb 0.57 -0.20 0.07 0.00 -2.33 0.00 0.00 43.42 41.52 1p89 n LEU 34 CO 0.41 0.01 0.70 0.00 -1.33 0.00 0.00 177.39 177.18 1p89 s ALA 35 N -3.11 2.93 -0.58 -1.18 0.00 -1.04 -3.35 121.76 115.43 1p89 s ALA 35 Ca 0.08 -0.66 -0.14 0.00 0.00 0.00 0.00 51.96 51.24 1p89 s ALA 35 Cb 0.15 -2.83 0.15 0.00 0.00 0.00 0.00 23.12 20.58 1p89 s ALA 35 CO 0.72 -1.34 0.52 -1.01 0.00 0.00 0.00 175.76 174.65 1p89 s HIS 36 N -3.36 3.39 0.00 0.00 3.76 0.67 -0.38 115.29 119.38 1p89 s HIS 36 Ca 0.60 -1.61 0.00 0.00 -0.15 0.00 0.00 55.06 53.90 1p89 s HIS 36 Cb -0.11 -3.72 0.00 0.00 1.11 0.00 0.00 32.58 29.87 1p89 s HIS 36 CO 0.48 -1.00 0.00 0.41 -0.85 0.00 0.00 174.74 173.78 1p89 n GLY 37 N 4.86 3.60 3.77 -2.22 0.00 -1.25 -3.05 105.19 110.90 1p89 n GLY 37 Ca -0.06 -1.52 -0.41 0.00 0.00 0.00 0.00 46.02 44.03 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 -4.94 4.36 0.13 1.61 2.20 -1.25 -2.73 119.74 119.12 1p89 s LYS 38 Ca 0.00 2.21 0.05 0.00 -0.36 0.00 0.00 55.97 57.87 1p89 s LYS 38 Cb 0.00 -3.07 -0.04 0.00 -1.51 0.00 0.00 37.83 33.21 1p89 s LYS 38 CO 0.00 -0.19 -0.12 0.99 -0.36 0.00 0.00 175.35 175.67 1p89 s THR 39 N -1.13 1.21 -0.07 3.43 2.01 0.17 -4.63 115.64 116.64 1p89 s THR 39 Ca 0.49 -1.81 -0.04 0.00 0.31 0.00 0.00 61.69 60.64 1p89 s THR 39 Cb -0.40 -1.60 -0.04 0.00 0.01 0.00 0.00 72.50 70.48 1p89 s THR 39 CO 0.53 -0.55 0.10 -0.69 -0.69 0.00 0.00 174.62 173.32 1p89 s VAL 40 N -2.56 5.04 -0.21 3.82 1.01 0.29 0.66 120.40 128.44 1p89 s VAL 40 Ca 0.11 -0.10 -0.00 0.00 0.00 0.00 0.00 61.98 61.98 1p89 s VAL 40 Cb -0.02 -3.23 0.05 0.00 0.00 0.00 0.00 36.38 33.18 1p89 s VAL 40 CO 0.02 0.51 -0.05 -0.76 0.00 0.00 0.00 175.10 174.82 1p89 s LEU 41 N -1.31 2.07 0.33 3.92 1.43 0.37 0.71 118.68 126.21 1p89 s LEU 41 Ca 0.18 -0.95 0.07 0.00 -1.03 0.00 0.00 54.13 52.40 1p89 s LEU 41 Cb -0.12 -1.03 -0.02 0.00 0.03 0.00 0.00 46.19 45.06 1p89 s LEU 41 CO 0.08 -0.22 0.41 0.28 0.23 0.00 0.00 176.35 177.13 1p89 s THR 42 N 1.53 3.94 -1.36 5.49 -1.32 0.87 0.41 115.64 125.20 1p89 s THR 42 Ca -0.03 -1.12 0.00 0.00 -1.21 0.00 0.00 61.69 59.33 1p89 s THR 42 Cb -0.17 -3.35 0.00 0.00 -1.51 0.00 0.00 72.50 67.47 1p89 s THR 42 CO -0.07 -0.17 0.00 -3.20 -2.21 0.00 0.00 174.62 168.97 1p89 n ASN 43 N -1.54 -4.73 -4.68 8.08 4.05 0.44 0.13 115.26 117.00 1p89 n ASN 43 Ca -0.01 0.32 -0.36 0.00 0.45 0.00 0.00 54.58 54.98 1p89 n ASN 43 Cb 0.59 -3.36 0.09 0.00 1.23 0.00 0.00 39.78 38.33 1p89 n ASN 43 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 177.26 174.10 1p89 n LEU 44 N -1.46 4.76 -4.62 1.20 0.00 0.11 -4.20 117.00 112.79 1p89 n LEU 44 Ca -0.13 0.71 -0.43 0.00 0.00 0.00 0.00 56.01 56.16 1p89 n LEU 44 Cb 0.45 -1.49 -0.03 0.00 0.00 0.00 0.00 43.42 42.35 1p89 n LEU 44 CO 0.20 -1.53 0.84 -0.22 0.00 0.00 0.00 177.39 176.67 1p89 s LEU 45 N -4.33 3.95 -1.39 -1.96 2.96 -1.26 -4.28 118.68 112.37 1p89 s LEU 45 Ca 0.77 0.74 -0.15 0.00 -0.22 0.00 0.00 54.13 55.27 1p89 s LEU 45 Cb -0.34 -3.37 0.01 0.00 0.50 0.00 0.00 46.19 42.99 1p89 s LEU 45 CO 0.46 -0.88 2.22 -0.67 -1.32 0.00 0.00 176.35 176.16 1p89 n ASP 46 N 6.85 3.86 -0.03 3.68 2.03 -1.23 -4.58 116.55 127.13 1p89 n ASP 46 Ca 0.09 -2.81 0.00 0.00 0.52 0.00 0.00 54.79 52.59 1p89 n ASP 46 Cb 0.48 -1.60 0.00 0.00 -0.72 0.00 0.00 41.12 39.28 1p89 n ASP 46 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1p89 n SER 47 N 6.18 0.63 0.01 1.67 7.64 -1.26 -5.06 113.62 123.43 1p89 n SER 47 Ca 0.52 -0.03 0.11 0.00 1.01 0.00 0.00 58.87 60.49 1p89 n SER 47 Cb 0.39 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.46 1p89 n SER 47 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1p89 n ASP 48 N -0.06 0.21 0.10 6.43 8.00 -1.26 -3.38 116.55 126.59 1p89 n ASP 48 Ca 0.00 0.01 -0.03 0.00 0.71 0.00 0.00 54.79 55.49 1p89 n ASP 48 Cb 0.00 1.64 0.19 0.00 -0.02 0.00 0.00 41.12 42.93 1p89 n ASP 48 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1p89 h ASP 49 N 0.00 0.22 0.00 -2.24 5.19 -1.92 -2.60 116.42 115.07 1p89 h ASP 49 Ca 0.00 -0.11 -0.08 0.00 -0.62 0.00 0.00 57.03 56.22 1p89 h ASP 49 Cb 0.97 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 40.41 1p89 h ASP 49 CO 0.00 0.68 -0.50 0.58 -3.12 0.00 0.00 179.24 176.88 1p89 h VAL 50 N 0.16 0.98 -0.83 -1.35 2.07 -1.81 -3.11 116.25 112.38 1p89 h VAL 50 Ca 0.01 -1.91 0.24 0.00 0.82 0.00 0.00 66.70 65.86 1p89 h VAL 50 Cb 0.94 2.03 -0.03 0.00 -1.52 0.00 0.00 31.29 32.70 1p89 h VAL 50 CO 0.07 0.33 0.66 0.08 0.02 0.00 0.00 177.57 178.73 1p89 h ARG 51 N -1.00 0.00 -0.12 1.57 0.11 -1.63 1.65 114.38 114.95 1p89 h ARG 51 Ca -0.12 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 59.78 1p89 h ARG 51 Cb 0.89 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.96 1p89 h ARG 51 CO -0.07 0.00 -0.67 0.45 0.10 0.00 0.00 179.97 179.77 1p89 h HIS 52 N 0.00 0.65 -0.07 4.08 3.86 -1.56 0.81 115.15 122.92 1p89 h HIS 52 Ca 0.39 -0.27 -0.01 0.00 -1.16 0.00 0.00 60.37 59.32 1p89 h HIS 52 Cb 1.70 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 30.06 1p89 h HIS 52 CO 0.00 1.02 0.01 1.98 0.86 0.00 0.00 177.93 181.80 1p89 h MET 53 N 0.35 0.12 -0.15 2.45 1.85 0.24 0.85 114.93 120.64 1p89 h MET 53 Ca -0.02 -0.03 -0.02 0.00 -0.61 0.00 0.00 59.70 59.02 1p89 h MET 53 Cb 1.24 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 33.25 1p89 h MET 53 CO 0.12 0.35 0.03 -0.07 -0.40 0.00 0.00 176.91 176.94 1p89 h LEU 54 N -0.13 0.23 -2.20 3.39 4.07 -0.75 -1.89 115.31 118.03 1p89 h LEU 54 Ca 0.02 -0.24 0.05 0.00 0.08 0.00 0.00 57.88 57.79 1p89 h LEU 54 Cb 0.29 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 41.96 1p89 h LEU 54 CO 0.00 0.41 0.26 0.78 -1.08 0.00 0.00 178.44 178.81 1p89 h ASN 55 N 0.04 0.00 -0.00 -0.43 -0.26 0.78 -0.94 115.58 114.76 1p89 h ASN 55 Ca 0.05 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.76 1p89 h ASN 55 Cb 0.27 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.53 1p89 h ASN 55 CO 0.00 0.00 -0.10 0.00 -1.06 0.00 0.00 177.43 176.27 1p89 h ALA 56 N 1.65 0.01 -0.00 -0.83 0.00 -0.03 -3.00 119.26 117.07 1p89 h ALA 56 Ca 0.08 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1p89 h ALA 56 Cb 0.60 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1p89 h ALA 56 CO -0.00 -0.03 -0.00 -0.07 0.00 0.00 0.00 179.25 179.15 1p89 h LEU 57 N -0.66 0.00 -1.77 0.00 3.38 -0.84 -2.71 115.31 112.70 1p89 h LEU 57 Ca -0.01 -0.32 0.22 0.00 0.09 0.00 0.00 57.88 57.85 1p89 h LEU 57 Cb 0.88 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.58 1p89 h LEU 57 CO 0.02 0.33 0.59 0.00 0.09 0.00 0.00 178.44 179.47 1p89 h THR 58 N -0.32 0.63 -0.23 0.22 1.03 -1.32 0.17 112.91 113.10 1p89 h THR 58 Ca 0.00 -0.06 0.01 0.00 -0.01 0.00 0.00 66.41 66.35 1p89 h THR 58 Cb 0.32 0.43 -0.02 0.00 -1.07 0.00 0.00 68.15 67.82 1p89 h THR 58 CO 0.00 0.03 0.12 0.00 -0.01 0.00 0.00 175.52 175.67 1p89 h ALA 59 N 1.60 0.28 0.00 0.00 0.00 -1.33 -1.14 119.26 118.67 1p89 h ALA 59 Ca 0.43 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.26 1p89 h ALA 59 Cb 1.38 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1p89 h ALA 59 CO -0.09 -0.28 -0.35 -0.07 0.00 0.00 0.00 179.25 178.47 1p89 h LEU 60 N 0.26 0.00 0.00 0.00 4.07 -0.68 -3.46 115.31 115.50 1p89 h LEU 60 Ca 0.09 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.05 1p89 h LEU 60 Cb 0.01 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.75 1p89 h LEU 60 CO -0.05 0.35 0.00 0.61 -1.08 0.00 0.00 178.44 178.26 1p89 n GLY 61 N -0.15 -0.02 3.68 0.83 0.00 -0.20 -4.66 105.19 104.67 1p89 n GLY 61 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 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 2.06 -3.96 1.61 0.31 -0.18 -4.86 118.33 113.31 1p89 n VAL 62 Ca 0.00 -0.22 -0.34 0.00 -0.01 0.00 0.00 64.34 63.78 1p89 n VAL 62 Cb 0.00 -1.19 -0.14 0.00 -0.91 0.00 0.00 33.84 31.60 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 -2.09 4.77 0.16 4.52 0.01 -1.26 -3.83 113.70 115.99 1p89 s SER 63 Ca 0.73 -1.50 0.10 0.00 1.31 0.00 0.00 55.95 56.59 1p89 s SER 63 Cb -0.29 -1.66 -0.04 0.00 0.21 0.00 0.00 66.02 64.23 1p89 s SER 63 CO 0.51 -0.28 -0.22 -0.72 0.41 0.00 0.00 173.24 172.94 1p89 s TYR 64 N 1.15 2.08 -0.17 2.43 -0.85 -1.25 0.08 117.35 120.81 1p89 s TYR 64 Ca -0.03 -0.40 -0.05 0.00 -0.52 0.00 0.00 57.07 56.07 1p89 s TYR 64 Cb -0.20 -1.06 0.09 0.00 0.38 0.00 0.00 41.96 41.17 1p89 s TYR 64 CO -0.04 0.39 0.29 0.99 -1.52 0.00 0.00 175.55 175.67 1p89 s THR 65 N -1.64 -0.46 0.79 -3.49 2.01 -0.77 -4.90 115.64 107.18 1p89 s THR 65 Ca 0.16 0.13 -0.06 0.00 0.31 0.00 0.00 61.69 62.24 1p89 s THR 65 Cb -0.08 -0.58 0.14 0.00 0.01 0.00 0.00 72.50 71.99 1p89 s THR 65 CO 0.08 0.01 1.09 -0.76 -0.69 0.00 0.00 174.62 174.34 1p89 s LEU 66 N 2.45 2.89 0.71 4.42 2.01 -1.25 0.07 118.68 129.98 1p89 s LEU 66 Ca 0.04 -0.13 0.02 0.00 0.01 0.00 0.00 54.13 54.07 1p89 s LEU 66 Cb -0.13 -2.15 0.14 0.00 0.01 0.00 0.00 46.19 44.05 1p89 s LEU 66 CO -0.11 -2.10 0.98 -0.94 1.01 0.00 0.00 176.35 175.19 1p89 s SER 67 N -4.77 4.37 0.30 2.29 1.04 0.21 -4.85 113.70 112.29 1p89 s SER 67 Ca 0.68 -0.58 0.21 0.00 0.48 0.00 0.00 55.95 56.74 1p89 s SER 67 Cb -0.05 0.26 1.10 0.00 0.10 0.00 0.00 66.02 67.43 1p89 s SER 67 CO 0.47 -1.87 1.65 0.00 0.98 0.00 0.00 173.24 174.47 1p89 n ALA 68 N -2.77 1.16 0.01 5.32 0.00 -1.26 -1.13 120.51 121.84 1p89 n ALA 68 Ca 0.17 0.17 0.01 0.00 0.00 0.00 0.00 53.44 53.79 1p89 n ALA 68 Cb 0.61 -1.32 0.02 0.00 0.00 0.00 0.00 19.45 18.77 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 -2.23 1.87 -3.67 0.00 -0.08 -1.26 -4.99 116.55 106.19 1p89 n ASP 69 Ca -0.01 -1.71 -0.24 0.00 -1.51 0.00 0.00 54.79 51.33 1p89 n ASP 69 Cb 0.07 -0.03 0.06 0.00 2.34 0.00 0.00 41.12 43.56 1p89 n ASP 69 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1p89 n ARG 70 N -0.16 -6.52 0.00 -0.67 5.12 -0.28 -4.67 116.66 109.48 1p89 n ARG 70 Ca 0.02 0.74 0.00 0.00 -1.93 0.00 0.00 57.85 56.68 1p89 n ARG 70 Cb 0.21 -5.65 0.00 0.00 -1.16 0.00 0.00 32.46 25.86 1p89 n ARG 70 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1p89 n THR 71 N -4.62 0.00 -3.69 0.55 -2.24 -1.26 -3.46 114.28 99.56 1p89 n THR 71 Ca -0.10 -0.34 -0.27 0.00 -2.27 0.00 0.00 64.05 61.07 1p89 n THR 71 Cb 0.59 1.25 -0.17 0.00 -2.10 0.00 0.00 70.33 69.91 1p89 n THR 71 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1p89 s ARG 72 N -0.16 0.44 0.18 -0.78 1.81 -1.24 0.16 118.95 119.37 1p89 s ARG 72 Ca 0.00 -0.31 0.11 0.00 -1.72 0.00 0.00 55.73 53.80 1p89 s ARG 72 Cb 0.00 -2.00 -0.04 0.00 -0.45 0.00 0.00 34.95 32.46 1p89 s ARG 72 CO 0.00 -0.66 -0.19 0.00 -0.68 0.00 0.00 175.30 173.76 1p89 s GLU 74 N -2.68 1.62 -0.23 0.00 2.02 0.11 0.14 118.70 119.68 1p89 s GLU 74 Ca 0.22 -1.60 -0.11 0.00 0.02 0.00 0.00 54.97 53.49 1p89 s GLU 74 Cb -0.08 -2.97 -0.05 0.00 0.10 0.00 0.00 34.13 31.13 1p89 s GLU 74 CO 0.11 -0.82 0.20 0.42 0.02 0.00 0.00 175.26 175.20 1p89 s ILE 75 N 1.05 5.33 -0.62 -1.63 1.09 0.21 -1.85 121.20 124.79 1p89 s ILE 75 Ca 0.04 0.28 -0.28 0.00 -1.10 0.00 0.00 60.65 59.59 1p89 s ILE 75 Cb -0.19 -3.54 0.03 0.00 -1.06 0.00 0.00 42.46 37.69 1p89 s ILE 75 CO -0.08 0.33 1.28 -0.63 -0.10 0.00 0.00 174.94 175.73 1p89 s ILE 76 N 1.11 3.87 -0.25 2.92 -1.09 0.11 0.44 121.20 128.31 1p89 s ILE 76 Ca 0.10 0.71 -0.36 0.00 -2.23 0.00 0.00 60.65 58.87 1p89 s ILE 76 Cb -0.14 -4.70 -0.12 0.00 -1.58 0.00 0.00 42.46 35.92 1p89 s ILE 76 CO 0.05 -1.43 1.98 0.61 -1.23 0.00 0.00 174.94 174.92 1p89 n GLY 77 N 5.20 0.91 0.16 6.18 0.00 -1.10 -4.37 105.19 112.17 1p89 n GLY 77 Ca 0.08 0.91 0.12 0.00 0.00 0.00 0.00 46.02 47.12 1p89 n GLY 77 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1p89 n ASN 78 N 7.77 0.62 0.00 1.61 5.03 0.52 -3.83 115.26 126.97 1p89 n ASN 78 Ca 0.31 0.73 0.00 0.00 0.87 0.00 0.00 54.58 56.50 1p89 n ASN 78 Cb 0.23 -0.83 0.00 0.00 -1.02 0.00 0.00 39.78 38.16 1p89 n ASN 78 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1p89 n GLY 79 N -0.83 3.08 0.00 7.41 0.00 0.49 -4.88 105.19 110.46 1p89 n GLY 79 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.00 5.41 3.84 -0.02 0.00 -1.21 -4.65 105.19 106.57 1p89 n GLY 80 Ca 0.00 -1.23 -0.29 0.00 0.00 0.00 0.00 46.02 44.50 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 1.87 1.38 -0.85 1.61 0.02 -1.26 -3.39 135.00 134.37 1p89 s PRO 81 Ca 0.00 0.13 -0.25 0.00 0.02 0.00 0.00 61.00 60.91 1p89 s PRO 81 Cb 0.00 -1.88 -0.06 0.00 0.02 0.00 0.00 34.50 32.58 1p89 s PRO 81 CO 0.00 -2.00 2.02 -0.51 -0.33 0.00 0.00 177.00 176.18 1p89 s LEU 82 N -5.85 3.13 -0.23 -5.54 2.01 -1.24 -4.88 118.68 106.08 1p89 s LEU 82 Ca 0.64 -0.45 -0.25 0.00 0.01 0.00 0.00 54.13 54.08 1p89 s LEU 82 Cb -0.12 -2.55 -0.00 0.00 0.01 0.00 0.00 46.19 43.52 1p89 s LEU 82 CO 0.51 -2.90 0.86 -1.00 1.01 0.00 0.00 176.35 174.83 1p89 s HIS 83 N 10.79 3.34 -0.23 0.29 3.76 -1.26 -4.45 115.29 127.53 1p89 s HIS 83 Ca 0.74 1.20 -0.03 0.00 -0.15 0.00 0.00 55.06 56.82 1p89 s HIS 83 Cb -0.08 -3.07 0.10 0.00 1.11 0.00 0.00 32.58 30.63 1p89 s HIS 83 CO 0.03 -0.38 0.20 0.00 -0.85 0.00 0.00 174.74 173.74 1p89 s ALA 84 N 2.75 -0.09 -0.76 -1.40 0.00 -1.26 -4.68 121.76 116.32 1p89 s ALA 84 Ca 0.37 -0.11 -0.07 0.00 0.00 0.00 0.00 51.96 52.15 1p89 s ALA 84 Cb -0.15 -1.38 0.20 0.00 0.00 0.00 0.00 23.12 21.78 1p89 s ALA 84 CO 0.08 -1.36 0.63 -2.00 0.00 0.00 0.00 175.76 173.12 1p89 s GLU 85 N 2.28 3.11 0.00 0.00 2.56 -1.26 -1.38 118.70 124.01 1p89 s GLU 85 Ca 0.07 -2.63 0.00 0.00 0.00 0.00 0.00 54.97 52.41 1p89 s GLU 85 Cb -0.15 -4.05 0.00 0.00 2.00 0.00 0.00 34.13 31.92 1p89 s GLU 85 CO -0.19 -1.23 0.05 0.41 -0.56 0.00 0.00 175.26 173.74 1p89 n GLY 86 N 3.49 0.04 3.63 -1.50 0.00 -1.26 -4.96 105.19 104.63 1p89 n GLY 86 Ca 0.12 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.12 4.61 0.00 -0.40 -4.93 120.51 115.66 1p89 n ALA 87 Ca -0.00 -0.14 -0.41 0.00 0.00 0.00 0.00 53.44 52.89 1p89 n ALA 87 Cb 0.08 -2.07 -0.04 0.00 0.00 0.00 0.00 19.45 17.41 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 -6.59 4.52 -0.14 0.00 2.96 0.42 -4.69 118.68 115.15 1p89 s LEU 88 Ca 0.00 1.92 0.01 0.00 -0.22 0.00 0.00 54.13 55.84 1p89 s LEU 88 Cb -0.00 -3.60 -0.00 0.00 0.50 0.00 0.00 46.19 43.09 1p89 s LEU 88 CO 0.79 -0.09 -0.16 -0.70 -1.32 0.00 0.00 176.35 174.87 1p89 s GLU 89 N -0.31 3.21 0.19 1.98 -6.30 -1.25 0.18 118.70 116.39 1p89 s GLU 89 Ca 0.47 -0.76 0.06 0.00 -2.50 0.00 0.00 54.97 52.24 1p89 s GLU 89 Cb -0.26 -2.58 -0.04 0.00 0.00 0.00 0.00 34.13 31.25 1p89 s GLU 89 CO 0.32 0.06 0.09 -0.51 0.02 0.00 0.00 175.26 175.24 1p89 s LEU 90 N 0.70 3.60 -0.32 2.70 1.43 0.04 -4.89 118.68 121.95 1p89 s LEU 90 Ca -0.08 -0.28 0.03 0.00 -1.03 0.00 0.00 54.13 52.78 1p89 s LEU 90 Cb -0.16 -2.20 0.09 0.00 0.03 0.00 0.00 46.19 43.95 1p89 s LEU 90 CO 0.01 0.05 0.03 0.12 0.23 0.00 0.00 176.35 176.79 1p89 s PHE 91 N -1.87 3.31 -2.18 0.29 5.36 -1.24 0.41 117.98 122.05 1p89 s PHE 91 Ca 0.30 -2.65 0.18 0.00 -0.96 0.00 0.00 56.93 53.80 1p89 s PHE 91 Cb -0.09 -2.52 0.55 0.00 -0.34 0.00 0.00 43.02 40.61 1p89 s PHE 91 CO 0.22 -0.92 1.43 1.28 -1.46 0.00 0.00 175.22 175.77 1p89 n LEU 92 N 4.39 2.16 0.00 6.12 7.99 0.68 -4.91 117.00 133.43 1p89 n LEU 92 Ca -0.01 -0.99 0.00 0.00 -0.01 0.00 0.00 56.01 55.00 1p89 n LEU 92 Cb 0.42 -0.20 0.00 0.00 -0.11 0.00 0.00 43.42 43.53 1p89 n LEU 92 CO 0.20 0.49 0.00 0.61 -1.51 0.00 0.00 177.39 177.19 1p89 n GLY 93 N 1.20 1.34 2.59 -0.72 0.00 -1.25 -1.75 105.19 106.60 1p89 n GLY 93 Ca 0.16 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 1p89 n GLY 93 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1p89 n ASN 94 N -2.14 6.77 0.00 1.61 5.03 -1.26 -3.22 115.26 122.05 1p89 n ASN 94 Ca 0.00 -3.36 0.00 0.00 0.87 0.00 0.00 54.58 52.09 1p89 n ASN 94 Cb 0.00 -1.20 0.00 0.00 -1.02 0.00 0.00 39.78 37.56 1p89 n ASN 94 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1p89 n ALA 95 N 0.57 0.00 0.00 5.41 0.00 -0.72 -4.94 120.51 120.83 1p89 n ALA 95 Ca 0.50 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1p89 n ALA 95 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 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 2.32 2.94 0.01 0.00 0.00 -1.26 -4.73 105.19 104.47 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 -4.35 114.28 107.04 1p89 n THR 97 Ca 0.00 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1p89 n THR 97 Cb 0.00 0.72 0.00 0.00 -2.10 0.00 0.00 70.33 68.95 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 -1.48 0.92 0.13 6.98 0.00 -1.26 -4.69 120.51 121.12 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 0.33 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.70 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 -0.35 0.31 0.00 -1.53 -1.90 -0.99 114.93 110.46 1p89 h MET 99 Ca 0.00 0.02 -0.02 0.00 -3.44 0.00 0.00 59.70 56.27 1p89 h MET 99 Cb 0.00 0.08 0.00 0.00 -0.55 0.00 0.00 31.60 31.13 1p89 h MET 99 CO 0.00 -0.01 -0.15 0.00 0.14 0.00 0.00 176.91 176.89 1p89 h ARG 100 N -0.76 -0.40 -0.30 0.39 -0.00 -1.85 0.13 114.38 111.59 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 0.50 0.09 -0.02 0.00 0.00 0.00 0.00 29.97 30.55 1p89 h ARG 100 CO 0.06 -0.25 0.20 -1.35 0.00 0.00 0.00 179.97 178.63 1p89 h PRO 101 N -0.44 0.39 -0.21 0.04 0.11 -1.65 -2.52 132.00 127.72 1p89 h PRO 101 Ca -0.04 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.93 1p89 h PRO 101 Cb 0.34 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 1p89 h PRO 101 CO 0.07 0.26 -0.35 1.25 -0.21 0.00 0.00 178.00 179.02 1p89 h LEU 102 N 0.40 0.46 -0.23 2.35 7.12 -1.16 -1.28 115.31 122.97 1p89 h LEU 102 Ca 0.11 -0.18 -0.00 0.00 0.13 0.00 0.00 57.88 57.94 1p89 h LEU 102 Cb -0.04 -0.13 -0.01 0.00 -0.53 0.00 0.00 40.66 39.95 1p89 h LEU 102 CO -0.03 0.78 0.14 0.00 -0.13 0.00 0.00 178.44 179.20 1p89 h ALA 103 N 1.25 0.29 -0.22 1.25 0.00 -0.49 -2.92 119.26 118.42 1p89 h ALA 103 Ca 0.04 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.71 1p89 h ALA 103 Cb 0.79 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.50 1p89 h ALA 103 CO 0.06 -0.21 -0.67 0.00 0.00 0.00 0.00 179.25 178.43 1p89 h ALA 104 N 1.05 0.39 -0.99 0.00 0.00 -1.38 -3.22 119.26 115.11 1p89 h ALA 104 Ca 0.08 -0.56 0.08 0.00 0.00 0.00 0.00 54.91 54.51 1p89 h ALA 104 Cb 0.01 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.68 1p89 h ALA 104 CO -0.02 0.68 0.64 0.00 0.00 0.00 0.00 179.25 180.56 1p89 h ALA 105 N 0.62 1.45 0.00 0.00 0.00 -1.15 -0.59 119.26 119.60 1p89 h ALA 105 Ca -0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1p89 h ALA 105 Cb 1.29 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1p89 h ALA 105 CO 0.14 0.37 -0.13 -0.07 0.00 0.00 0.00 179.25 179.57 1p89 h LEU 106 N 1.11 0.00 0.00 0.00 3.38 -1.57 -3.07 115.31 115.16 1p89 h LEU 106 Ca 0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.42 1p89 h LEU 106 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1p89 h LEU 106 CO -0.19 0.13 0.00 0.00 0.09 0.00 0.00 178.44 178.46 1p89 s LEU 108 N -2.85 3.18 0.00 0.00 1.43 -1.16 0.26 118.68 119.54 1p89 s LEU 108 Ca 0.02 0.74 0.00 0.00 -1.03 0.00 0.00 54.13 53.86 1p89 s LEU 108 Cb 0.02 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.68 1p89 s LEU 108 CO 0.05 -1.12 0.00 0.61 0.23 0.00 0.00 176.35 176.12 1p89 n GLY 109 N -2.64 2.39 3.06 -3.19 0.00 -1.26 -4.15 105.19 99.40 1p89 n GLY 109 Ca 0.05 0.33 0.03 0.00 0.00 0.00 0.00 46.02 46.43 1p89 n GLY 109 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1p89 s SER 110 N -4.00 -0.90 0.01 1.61 1.04 -1.26 -0.30 113.70 109.89 1p89 s SER 110 Ca 0.00 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.29 1p89 s SER 110 Cb 0.00 1.37 -0.01 0.00 0.10 0.00 0.00 66.02 67.48 1p89 s SER 110 CO 0.00 -0.14 -0.02 0.54 0.98 0.00 0.00 173.24 174.60 1p89 s ASN 111 N 2.44 0.23 -0.38 7.02 4.22 -1.24 -4.73 114.94 122.50 1p89 s ASN 111 Ca 0.18 -0.18 -0.13 0.00 -2.14 0.00 0.00 52.86 50.58 1p89 s ASN 111 Cb -0.03 0.02 0.01 0.00 1.28 0.00 0.00 41.25 42.53 1p89 s ASN 111 CO -0.18 -0.08 0.26 -1.81 -2.04 0.00 0.00 177.10 173.25 1p89 s ASP 112 N -0.50 6.00 -0.01 3.54 1.11 -0.48 -2.10 116.67 124.22 1p89 s ASP 112 Ca -0.04 -0.79 -0.02 0.00 0.18 0.00 0.00 52.55 51.88 1p89 s ASP 112 Cb -0.04 -2.12 0.00 0.00 1.07 0.00 0.00 42.92 41.83 1p89 s ASP 112 CO -0.00 -0.38 0.05 -0.63 1.18 0.00 0.00 175.17 175.39 1p89 s ILE 113 N 1.66 0.02 -0.27 0.77 1.09 -0.46 -0.44 121.20 123.58 1p89 s ILE 113 Ca 0.05 -0.20 -0.01 0.00 -1.10 0.00 0.00 60.65 59.39 1p89 s ILE 113 Cb -0.19 -0.14 0.04 0.00 -1.06 0.00 0.00 42.46 41.12 1p89 s ILE 113 CO 0.09 -0.11 -0.05 -0.69 -0.10 0.00 0.00 174.94 174.08 1p89 s VAL 114 N -0.32 2.76 0.58 2.92 1.01 0.46 0.17 120.40 127.98 1p89 s VAL 114 Ca -0.04 -1.30 -0.14 0.00 0.00 0.00 0.00 61.98 60.51 1p89 s VAL 114 Cb -0.03 -2.52 -0.05 0.00 0.00 0.00 0.00 36.38 33.79 1p89 s VAL 114 CO 0.00 0.03 1.02 -0.76 0.00 0.00 0.00 175.10 175.39 1p89 s LEU 115 N 1.25 3.42 0.01 3.92 1.43 0.53 -0.78 118.68 128.46 1p89 s LEU 115 Ca -0.04 1.54 -0.28 0.00 -1.03 0.00 0.00 54.13 54.32 1p89 s LEU 115 Cb -0.19 -4.49 0.08 0.00 0.03 0.00 0.00 46.19 41.62 1p89 s LEU 115 CO -0.03 -0.82 0.72 -0.89 0.23 0.00 0.00 176.35 175.55 1p89 s THR 116 N -2.87 0.00 0.00 5.49 2.01 0.16 -2.70 115.64 117.74 1p89 s THR 116 Ca 0.58 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.58 1p89 s THR 116 Cb -0.11 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.40 1p89 s THR 116 CO 0.43 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.97 1p89 n GLY 117 N 0.30 4.29 3.66 4.40 0.00 -1.26 -0.23 105.19 116.35 1p89 n GLY 117 Ca -0.16 -1.57 -0.29 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.13 -0.14 0.59 1.61 2.02 -1.20 -4.69 118.70 115.76 1p89 s GLU 118 Ca 0.00 0.24 0.31 0.00 0.02 0.00 0.00 54.97 55.54 1p89 s GLU 118 Cb 0.00 -1.69 1.82 0.00 0.10 0.00 0.00 34.13 34.36 1p89 s GLU 118 CO 0.00 -3.06 2.23 -1.00 0.02 0.00 0.00 175.26 173.45 1p89 h PRO 119 N -2.12 0.00 0.04 0.39 0.13 -2.01 -1.85 132.00 126.58 1p89 h PRO 119 Ca -0.51 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.31 1p89 h PRO 119 Cb 1.32 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.41 1p89 h PRO 119 CO 0.49 0.03 -1.80 -2.13 -0.23 0.00 0.00 178.00 174.36 1p89 n ARG 120 N -3.69 0.67 0.32 0.86 3.00 -1.26 -3.75 116.66 112.81 1p89 n ARG 120 Ca -0.03 0.29 0.22 0.00 -0.00 0.00 0.00 57.85 58.33 1p89 n ARG 120 Cb 0.12 -1.77 1.17 0.00 0.00 0.00 0.00 32.46 31.98 1p89 n ARG 120 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.63 179.61 1p89 h MET 121 N 0.02 0.00 0.00 -0.14 4.05 -1.59 -0.51 114.93 116.76 1p89 h MET 121 Ca -0.33 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.09 1p89 h MET 121 Cb 2.02 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.82 1p89 h MET 121 CO 0.08 0.00 0.00 1.63 0.23 0.00 0.00 176.91 178.85 1p89 n LYS 122 N -3.01 0.21 -0.73 0.39 5.02 -1.05 -2.22 118.16 116.78 1p89 n LYS 122 Ca -0.03 0.14 0.05 0.00 -2.02 0.00 0.00 58.31 56.45 1p89 n LYS 122 Cb 0.07 -1.50 0.19 0.00 -0.02 0.00 0.00 35.03 33.77 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 -1.25 1.58 -3.62 1.97 -0.00 -0.20 -4.68 120.64 114.45 1p89 n GLU 123 Ca 0.07 -3.27 -0.39 0.00 -0.00 0.00 0.00 57.16 53.56 1p89 n GLU 123 Cb 0.09 -1.55 -0.08 0.00 -0.00 0.00 0.00 31.44 29.90 1p89 n GLU 123 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 1p89 s ARG 124 N -3.06 2.67 0.06 3.44 1.81 -0.94 -5.06 118.95 117.86 1p89 s ARG 124 Ca 0.38 -2.26 -0.36 0.00 -1.72 0.00 0.00 55.73 51.77 1p89 s ARG 124 Cb 0.37 -3.89 -0.16 0.00 -0.45 0.00 0.00 34.95 30.83 1p89 s ARG 124 CO -0.07 -1.19 1.46 -0.35 -0.68 0.00 0.00 175.30 174.47 1p89 n PRO 125 N 4.04 1.42 -1.38 3.54 -0.04 -1.21 -4.32 135.00 137.05 1p89 n PRO 125 Ca 0.04 0.51 0.03 0.00 -0.04 0.00 0.00 63.50 64.05 1p89 n PRO 125 Cb 0.41 -2.20 0.07 0.00 -0.04 0.00 0.00 33.50 31.74 1p89 n PRO 125 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1p89 n ILE 126 N 3.04 0.79 0.01 0.52 3.06 -1.11 -4.88 119.36 120.79 1p89 n ILE 126 Ca 0.19 -1.88 -0.12 0.00 -2.50 0.00 0.00 62.75 58.44 1p89 n ILE 126 Cb 0.21 0.61 -0.10 0.00 0.54 0.00 0.00 39.64 40.91 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 1.17 -0.09 0.84 4.50 0.00 -1.90 -1.44 103.07 106.15 1p89 h GLY 127 Ca -0.14 0.03 0.14 0.00 0.00 0.00 0.00 47.33 47.36 1p89 h GLY 127 CO 0.10 -0.03 0.45 0.45 0.00 0.00 0.00 176.54 177.51 1p89 h HIS 128 N -0.68 0.00 0.00 5.60 3.86 -1.95 0.82 115.15 122.80 1p89 h HIS 128 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1p89 h HIS 128 Cb 0.57 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.04 1p89 h HIS 128 CO 0.11 0.00 -0.05 1.25 0.86 0.00 0.00 177.93 180.11 1p89 h LEU 129 N 0.00 0.00 -1.92 2.43 5.85 -1.89 -3.17 115.31 116.62 1p89 h LEU 129 Ca 0.22 0.00 0.12 0.00 0.84 0.00 0.00 57.88 59.07 1p89 h LEU 129 Cb 1.12 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 1p89 h LEU 129 CO -0.00 0.20 0.49 0.58 -0.34 0.00 0.00 178.44 179.36 1p89 h VAL 130 N -0.35 0.33 -0.11 1.05 2.07 -0.92 -0.34 116.25 117.97 1p89 h VAL 130 Ca 0.00 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.42 1p89 h VAL 130 Cb 0.05 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1p89 h VAL 130 CO 0.00 0.00 -0.30 -0.78 0.02 0.00 0.00 177.57 176.51 1p89 h ASP 131 N 0.00 0.46 0.14 0.57 3.58 0.52 -2.32 116.42 119.37 1p89 h ASP 131 Ca 0.20 -0.59 -0.01 0.00 0.42 0.00 0.00 57.03 57.06 1p89 h ASP 131 Cb 1.18 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.09 1p89 h ASP 131 CO -0.00 0.97 -0.07 0.00 -2.88 0.00 0.00 179.24 177.26 1p89 h ALA 132 N 0.50 -0.19 -0.76 -0.78 0.00 -1.04 -1.87 119.26 115.13 1p89 h ALA 132 Ca -0.01 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 54.83 1p89 h ALA 132 Cb 0.92 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.72 1p89 h ALA 132 CO 0.07 -0.48 0.44 -0.07 0.00 0.00 0.00 179.25 179.20 1p89 h LEU 133 N -0.43 0.66 -1.73 0.00 3.38 -1.57 -0.23 115.31 115.39 1p89 h LEU 133 Ca -0.02 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1p89 h LEU 133 Cb 0.35 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1p89 h LEU 133 CO 0.03 0.42 0.18 0.03 0.09 0.00 0.00 178.44 179.19 1p89 h ARG 134 N 0.80 0.35 0.00 1.13 3.08 -1.29 -0.39 114.38 118.06 1p89 h ARG 134 Ca 0.34 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 60.28 1p89 h ARG 134 Cb 0.21 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1p89 h ARG 134 CO -0.19 0.24 -0.41 -0.07 -1.07 0.00 0.00 179.97 178.47 1p89 h LEU 135 N 0.36 0.00 0.00 3.04 3.38 -0.20 -2.76 115.31 119.13 1p89 h LEU 135 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1p89 h LEU 135 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1p89 h LEU 135 CO -0.02 0.41 -0.06 0.61 0.09 0.00 0.00 178.44 179.47 1p89 n GLY 136 N 0.22 -1.63 0.00 0.83 0.00 -0.26 -4.83 105.19 99.52 1p89 n GLY 136 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1p89 n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p89 n GLY 137 N 1.36 0.45 3.77 -0.02 0.00 -1.00 0.36 105.19 110.11 1p89 n GLY 137 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 1p89 n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p89 s ALA 138 N -1.32 3.06 -0.59 4.61 0.00 -0.59 -3.17 121.76 123.75 1p89 s ALA 138 Ca 0.00 0.86 -0.01 0.00 0.00 0.00 0.00 51.96 52.81 1p89 s ALA 138 Cb 0.00 -3.34 0.15 0.00 0.00 0.00 0.00 23.12 19.93 1p89 s ALA 138 CO 0.00 -0.47 0.39 0.15 0.00 0.00 0.00 175.76 175.83 1p89 s LYS 139 N -2.53 2.40 0.47 0.00 1.02 -0.56 -4.38 119.74 116.16 1p89 s LYS 139 Ca 0.60 -2.52 0.04 0.00 0.02 0.00 0.00 55.97 54.11 1p89 s LYS 139 Cb -0.27 -3.63 -0.03 0.00 -0.52 0.00 0.00 37.83 33.38 1p89 s LYS 139 CO 0.33 -1.15 0.09 0.42 -0.92 0.00 0.00 175.35 174.12 1p89 s ILE 140 N -0.07 1.67 0.00 2.17 1.01 -1.25 0.79 121.20 125.53 1p89 s ILE 140 Ca 0.17 -1.87 0.00 0.00 0.00 0.00 0.00 60.65 58.94 1p89 s ILE 140 Cb -0.21 -2.55 0.00 0.00 0.01 0.00 0.00 42.46 39.71 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 -1.25 0.00 -3.77 2.92 5.66 -0.65 -4.90 114.28 112.29 1p89 n THR 141 Ca -0.10 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.61 1p89 n THR 141 Cb 0.66 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 69.28 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 -5.56 1.58 -1.11 1.09 2.02 -1.26 -3.52 117.35 110.59 1p89 s TYR 142 Ca 0.00 -1.41 0.29 0.00 -0.37 0.00 0.00 57.07 55.58 1p89 s TYR 142 Cb 0.00 -1.43 1.29 0.00 -0.40 0.00 0.00 41.96 41.42 1p89 s TYR 142 CO 0.00 -0.76 1.95 1.28 -1.57 0.00 0.00 175.55 176.45 1p89 n LEU 143 N 4.89 0.00 0.00 -1.29 7.99 -1.08 -4.69 117.00 122.82 1p89 n LEU 143 Ca -0.06 0.44 0.00 0.00 -0.01 0.00 0.00 56.01 56.38 1p89 n LEU 143 Cb 0.44 -0.44 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1p89 n LEU 143 CO 0.13 -0.01 0.00 -0.62 -1.51 0.00 0.00 177.39 175.38 1p89 n GLU 144 N -1.44 0.00 -4.41 3.23 1.02 -1.26 -5.04 120.64 112.73 1p89 n GLU 144 Ca 0.09 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.97 1p89 n GLU 144 Cb 0.31 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.60 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 -0.63 1.26 0.22 3.49 -0.21 -1.26 -5.11 119.66 117.41 1p89 s GLN 145 Ca 0.00 -1.14 -0.30 0.00 0.02 0.00 0.00 55.36 53.94 1p89 s GLN 145 Cb 0.00 -1.53 -0.09 0.00 1.00 0.00 0.00 33.01 32.39 1p89 s GLN 145 CO 0.00 0.37 1.27 -1.21 -2.12 0.00 0.00 175.29 173.60 1p89 s GLU 146 N -1.75 4.42 -0.93 2.91 2.02 -1.26 -3.35 118.70 120.77 1p89 s GLU 146 Ca 0.08 2.02 -0.00 0.00 0.02 0.00 0.00 54.97 57.09 1p89 s GLU 146 Cb -0.10 -3.19 0.00 0.00 0.10 0.00 0.00 34.13 30.95 1p89 s GLU 146 CO 0.04 -0.18 0.78 0.09 0.02 0.00 0.00 175.26 176.01 1p89 n ASN 147 N 2.27 -2.17 -3.13 -0.19 5.03 -1.26 -4.94 115.26 110.88 1p89 n ASN 147 Ca 0.04 -0.48 -0.15 0.00 0.87 0.00 0.00 54.58 54.87 1p89 n ASN 147 Cb 0.43 -4.06 -0.04 0.00 -1.02 0.00 0.00 39.78 35.09 1p89 n ASN 147 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 1p89 s TYR 148 N -3.28 1.10 0.30 3.10 2.02 -1.21 -2.77 117.35 116.62 1p89 s TYR 148 Ca 0.02 -1.33 0.06 0.00 -0.37 0.00 0.00 57.07 55.45 1p89 s TYR 148 Cb -0.01 -0.07 0.77 0.00 -0.40 0.00 0.00 41.96 42.25 1p89 s TYR 148 CO 0.56 -1.18 1.75 -1.00 -1.57 0.00 0.00 175.55 174.12 1p89 h PRO 149 N 2.07 0.65 -5.72 -1.71 0.13 -1.78 -3.40 132.00 122.24 1p89 h PRO 149 Ca -0.28 -0.04 -0.48 0.00 -0.87 0.00 0.00 66.00 64.33 1p89 h PRO 149 Cb 1.24 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1p89 h PRO 149 CO 0.38 0.43 1.57 -1.25 -0.23 0.00 0.00 178.00 178.90 1p89 s PRO 150 N -5.84 2.29 -0.04 1.56 0.04 -1.25 -3.49 135.00 128.27 1p89 s PRO 150 Ca -0.11 1.31 -0.01 0.00 0.04 0.00 0.00 61.00 62.22 1p89 s PRO 150 Cb 0.25 -4.53 0.03 0.00 0.04 0.00 0.00 34.50 30.30 1p89 s PRO 150 CO 0.80 -3.08 0.05 -0.51 0.04 0.00 0.00 177.00 174.30 1p89 s LEU 151 N 11.29 0.45 -0.35 -3.56 1.43 -1.10 -2.64 118.68 124.21 1p89 s LEU 151 Ca 0.92 0.05 -0.10 0.00 -1.03 0.00 0.00 54.13 53.97 1p89 s LEU 151 Cb -0.17 -0.15 0.01 0.00 0.03 0.00 0.00 46.19 45.91 1p89 s LEU 151 CO 0.26 -0.21 0.18 -0.60 0.23 0.00 0.00 176.35 176.21 1p89 s ARG 152 N 1.83 3.04 0.23 1.70 3.52 -1.23 0.20 118.95 128.24 1p89 s ARG 152 Ca 0.01 -0.93 -0.01 0.00 -0.13 0.00 0.00 55.73 54.67 1p89 s ARG 152 Cb -0.12 -3.65 -0.04 0.00 -1.56 0.00 0.00 34.95 29.57 1p89 s ARG 152 CO -0.03 -0.58 0.43 -0.51 -0.81 0.00 0.00 175.30 173.80 1p89 s LEU 153 N 1.58 4.18 0.00 -0.88 1.43 0.46 -1.64 118.68 123.81 1p89 s LEU 153 Ca 0.03 0.43 0.10 0.00 -1.03 0.00 0.00 54.13 53.66 1p89 s LEU 153 Cb -0.18 -3.22 0.16 0.00 0.03 0.00 0.00 46.19 42.98 1p89 s LEU 153 CO 0.06 -0.09 1.03 0.00 0.23 0.00 0.00 176.35 177.58 1p89 n GLN 154 N -0.85 0.00 0.00 1.70 6.02 0.24 -1.35 117.38 123.13 1p89 n GLN 154 Ca -0.04 -1.31 0.00 0.00 -0.01 0.00 0.00 57.00 55.64 1p89 n GLN 154 Cb 0.54 -0.22 0.00 0.00 1.02 0.00 0.00 30.24 31.58 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 0.19 -0.09 0.00 1.08 0.00 -1.10 -3.67 105.19 101.59 1p89 n GLY 155 Ca 0.01 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 0.65 3.59 -0.02 0.00 0.59 -1.49 105.19 108.50 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 1.19 -0.20 1.61 5.36 0.14 -3.87 117.98 120.21 1p89 s PHE 157 Ca 0.00 0.81 -0.06 0.00 -0.96 0.00 0.00 56.93 56.73 1p89 s PHE 157 Cb 0.00 -3.85 -0.10 0.00 -0.34 0.00 0.00 43.02 38.73 1p89 s PHE 157 CO 0.00 -3.59 -0.23 0.25 -1.46 0.00 0.00 175.22 170.20 1p89 n THR 158 N 7.80 1.09 -0.35 0.12 -2.24 -0.32 -4.29 114.28 116.08 1p89 n THR 158 Ca 0.31 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1p89 n THR 158 Cb 0.48 -1.55 0.00 0.00 -2.10 0.00 0.00 70.33 67.15 1p89 n THR 158 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1p89 n GLY 159 N 2.05 0.84 0.00 3.38 0.00 0.16 0.15 105.19 111.77 1p89 n GLY 159 Ca -0.37 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 43.83 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 1.89 3.70 -0.02 0.00 -0.08 -4.23 105.19 106.46 1p89 n GLY 160 Ca 0.00 -2.16 -0.42 0.00 0.00 0.00 0.00 46.02 43.44 1p89 n GLY 160 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1p89 s ASN 161 N 0.00 6.62 0.09 1.61 0.01 -1.26 -0.89 114.94 121.12 1p89 s ASN 161 Ca 0.00 2.50 0.02 0.00 -0.71 0.00 0.00 52.86 54.67 1p89 s ASN 161 Cb 0.00 -2.57 -0.04 0.00 0.41 0.00 0.00 41.25 39.05 1p89 s ASN 161 CO 0.00 -0.85 -0.07 -0.69 -1.51 0.00 0.00 177.10 173.98 1p89 s VAL 162 N 2.11 0.70 -0.16 1.60 1.01 0.55 -4.86 120.40 121.35 1p89 s VAL 162 Ca 0.72 -1.74 0.00 0.00 0.00 0.00 0.00 61.98 60.97 1p89 s VAL 162 Cb -0.40 -1.44 0.02 0.00 0.00 0.00 0.00 36.38 34.56 1p89 s VAL 162 CO 0.32 -0.74 -0.15 -1.81 0.00 0.00 0.00 175.10 172.71 1p89 s ASP 163 N -2.69 2.81 -0.02 3.32 1.01 -1.26 0.97 116.67 120.80 1p89 s ASP 163 Ca 0.07 -0.54 0.07 0.00 0.71 0.00 0.00 52.55 52.86 1p89 s ASP 163 Cb 0.01 -1.24 -0.02 0.00 1.01 0.00 0.00 42.92 42.69 1p89 s ASP 163 CO -0.03 -0.05 -0.24 0.54 0.21 0.00 0.00 175.17 175.60 1p89 s VAL 164 N 1.45 1.87 0.09 -1.27 0.11 0.13 -4.52 120.40 118.26 1p89 s VAL 164 Ca 0.05 -1.00 -0.30 0.00 -2.93 0.00 0.00 61.98 57.79 1p89 s VAL 164 Cb -0.13 -1.56 -0.05 0.00 -1.53 0.00 0.00 36.38 33.10 1p89 s VAL 164 CO -0.11 0.53 1.00 -1.81 -3.33 0.00 0.00 175.10 171.38 1p89 s ASP 165 N -0.47 7.41 0.00 3.54 1.01 -1.26 -0.69 116.67 126.20 1p89 s ASP 165 Ca 0.07 1.82 -0.20 0.00 0.71 0.00 0.00 52.55 54.95 1p89 s ASP 165 Cb -0.10 -2.59 -0.23 0.00 1.01 0.00 0.00 42.92 41.02 1p89 s ASP 165 CO -0.00 -0.16 1.11 1.23 0.21 0.00 0.00 175.17 177.56 1p89 h GLY 166 N 5.85 0.43 -1.63 0.21 0.00 -1.75 -3.44 103.07 102.74 1p89 h GLY 166 Ca -0.43 -0.73 -0.49 0.00 0.00 0.00 0.00 47.33 45.69 1p89 h GLY 166 CO 0.73 0.65 -0.78 -1.14 0.00 0.00 0.00 176.54 176.00 1p89 n SER 167 N -4.26 -2.15 -1.90 0.19 3.41 -1.06 -3.05 113.62 104.80 1p89 n SER 167 Ca -0.10 0.07 -0.06 0.00 -0.26 0.00 0.00 58.87 58.52 1p89 n SER 167 Cb 0.64 -1.09 0.03 0.00 -0.26 0.00 0.00 64.21 63.53 1p89 n SER 167 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1p89 n VAL 168 N -4.12 -2.23 -1.33 -3.33 0.31 -1.26 -4.82 118.33 101.54 1p89 n VAL 168 Ca 0.04 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 1p89 n VAL 168 Cb 0.58 -3.43 -0.00 0.00 -0.91 0.00 0.00 33.84 30.08 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 -1.79 -7.15 0.00 4.52 7.64 -1.26 -4.49 113.62 111.10 1p89 n SER 169 Ca -0.11 1.59 0.09 0.00 1.01 0.00 0.00 58.87 61.45 1p89 n SER 169 Cb 0.56 -4.14 0.53 0.00 -1.01 0.00 0.00 64.21 60.16 1p89 n SER 169 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1p89 n SER 170 N -2.45 0.00 0.31 6.43 2.88 -1.26 -3.76 113.62 115.78 1p89 n SER 170 Ca -0.00 -1.21 0.17 0.00 -1.33 0.00 0.00 58.87 56.50 1p89 n SER 170 Cb 0.41 0.00 0.88 0.00 -0.75 0.00 0.00 64.21 64.75 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 0.09 -1.46 1.08 -1.89 1.13 115.11 114.05 1p89 h GLN 171 Ca 0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 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 -0.04 0.74 -0.95 0.00 0.00 178.83 178.58 1p89 h PHE 172 N 0.00 -0.11 0.05 2.96 -1.00 -1.83 -2.93 116.94 114.08 1p89 h PHE 172 Ca 0.02 -0.00 -0.24 0.00 2.81 0.00 0.00 57.97 60.56 1p89 h PHE 172 Cb 0.59 0.04 0.00 0.00 3.61 0.00 0.00 35.95 40.18 1p89 h PHE 172 CO 0.00 0.39 -1.04 1.25 -1.61 0.00 0.00 178.31 177.31 1p89 h LEU 173 N -0.92 0.45 -1.66 1.54 5.85 -1.58 -2.65 115.31 116.34 1p89 h LEU 173 Ca -0.01 -0.40 0.03 0.00 0.84 0.00 0.00 57.88 58.33 1p89 h LEU 173 Cb 0.55 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 1p89 h LEU 173 CO 0.02 1.24 0.28 0.74 -0.34 0.00 0.00 178.44 180.37 1p89 h THR 174 N 0.16 1.03 0.04 1.05 2.02 0.11 0.80 112.91 118.12 1p89 h THR 174 Ca -0.09 -0.15 -0.00 0.00 0.77 0.00 0.00 66.41 66.93 1p89 h THR 174 Cb 1.70 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 68.66 1p89 h THR 174 CO 0.17 0.08 -0.02 0.00 0.37 0.00 0.00 175.52 176.13 1p89 h ALA 175 N 1.76 -0.05 -0.61 6.16 0.00 -1.48 -2.96 119.26 122.07 1p89 h ALA 175 Ca 0.17 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1p89 h ALA 175 Cb 0.11 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1p89 h ALA 175 CO -0.04 -0.12 0.32 -0.07 0.00 0.00 0.00 179.25 179.34 1p89 h LEU 176 N -0.87 0.78 -2.11 0.00 3.38 -1.17 0.67 115.31 116.00 1p89 h LEU 176 Ca -0.01 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1p89 h LEU 176 Cb 0.69 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 1p89 h LEU 176 CO 0.01 0.67 -0.03 -0.07 0.09 0.00 0.00 178.44 179.11 1p89 h LEU 177 N 0.83 0.00 0.00 1.67 3.38 0.51 1.42 115.31 123.13 1p89 h LEU 177 Ca 0.21 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.97 1p89 h LEU 177 Cb 0.08 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1p89 h LEU 177 CO -0.03 0.03 -1.95 1.15 0.09 0.00 0.00 178.44 177.73 1p89 n MET 178 N -4.22 0.66 -0.05 1.13 0.00 -0.81 -4.00 117.12 109.82 1p89 n MET 178 Ca -0.03 0.03 -0.19 0.00 0.00 0.00 0.00 57.70 57.51 1p89 n MET 178 Cb 0.12 -1.63 -0.13 0.00 0.00 0.00 0.00 33.22 31.58 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 1.24 -0.45 3.17 2.02 0.10 -3.38 112.91 115.61 1p89 h THR 179 Ca -0.28 -2.32 -0.05 0.00 0.77 0.00 0.00 66.41 64.53 1p89 h THR 179 Cb 1.73 2.78 -0.02 0.00 -1.74 0.00 0.00 68.15 70.89 1p89 h THR 179 CO 0.03 0.55 0.08 0.00 0.37 0.00 0.00 175.52 176.55 1p89 h ALA 180 N -0.17 1.29 -0.93 6.16 0.00 0.17 -2.73 119.26 123.06 1p89 h ALA 180 Ca -0.22 -0.20 0.16 0.00 0.00 0.00 0.00 54.91 54.65 1p89 h ALA 180 Cb 1.39 -0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.92 1p89 h ALA 180 CO -0.04 0.49 0.60 -1.00 0.00 0.00 0.00 179.25 179.30 1p89 h PRO 181 N 0.67 0.68 -0.00 0.00 0.13 -1.71 0.43 132.00 132.19 1p89 h PRO 181 Ca 0.15 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1p89 h PRO 181 Cb 0.30 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.28 1p89 h PRO 181 CO 0.00 0.45 -0.19 1.28 -0.23 0.00 0.00 178.00 179.31 1p89 n LEU 182 N -4.60 0.33 -4.63 1.56 4.77 -1.05 0.15 117.00 113.52 1p89 n LEU 182 Ca 0.19 0.16 -0.43 0.00 -0.03 0.00 0.00 56.01 55.91 1p89 n LEU 182 Cb 0.52 -0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 41.27 1p89 n LEU 182 CO 0.28 0.07 1.44 0.00 -1.33 0.00 0.00 177.39 177.84 1p89 s ALA 183 N -2.81 3.31 0.32 -1.18 0.00 0.15 -4.07 121.76 117.49 1p89 s ALA 183 Ca 0.19 0.66 0.25 0.00 0.00 0.00 0.00 51.96 53.06 1p89 s ALA 183 Cb 0.19 -3.85 1.07 0.00 0.00 0.00 0.00 23.12 20.52 1p89 s ALA 183 CO 0.56 -1.90 1.07 -2.30 0.00 0.00 0.00 175.76 173.19 1p89 n PRO 184 N 7.66 -0.02 -4.02 0.00 -0.02 -1.21 -0.31 135.00 137.08 1p89 n PRO 184 Ca 0.20 0.83 -0.28 0.00 -2.02 0.00 0.00 63.50 62.23 1p89 n PRO 184 Cb 0.44 -1.70 -0.05 0.00 -0.02 0.00 0.00 33.50 32.17 1p89 n PRO 184 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1p89 s GLU 185 N -4.61 3.08 -0.19 -0.52 2.02 0.40 -3.73 118.70 115.14 1p89 s GLU 185 Ca -0.05 -0.71 -0.29 0.00 0.02 0.00 0.00 54.97 53.95 1p89 s GLU 185 Cb 0.20 -2.79 -0.04 0.00 0.10 0.00 0.00 34.13 31.61 1p89 s GLU 185 CO 0.57 0.53 1.74 0.34 0.02 0.00 0.00 175.26 178.47 1p89 s ASP 186 N -2.86 6.25 -0.15 -0.19 2.15 -1.26 -3.63 116.67 116.98 1p89 s ASP 186 Ca 0.32 1.76 -0.09 0.00 0.43 0.00 0.00 52.55 54.97 1p89 s ASP 186 Cb -0.11 -2.53 -0.05 0.00 -0.30 0.00 0.00 42.92 39.93 1p89 s ASP 186 CO 0.25 -1.34 0.15 -0.89 -0.17 0.00 0.00 175.17 173.16 1p89 s THR 187 N 5.58 5.45 -0.34 1.71 2.01 -0.53 -0.90 115.64 128.63 1p89 s THR 187 Ca 0.77 0.23 0.02 0.00 0.31 0.00 0.00 61.69 63.02 1p89 s THR 187 Cb -0.28 -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 0.00 174.62 174.17 1p89 s VAL 188 N -0.36 1.62 0.12 3.82 1.01 -0.07 0.68 120.40 127.22 1p89 s VAL 188 Ca 0.12 -1.96 -0.14 0.00 0.00 0.00 0.00 61.98 60.00 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 -0.65 0.51 -0.63 0.00 0.00 0.00 175.10 174.35 1p89 s ILE 189 N 1.16 4.90 0.43 2.22 1.01 -0.68 0.20 121.20 130.44 1p89 s ILE 189 Ca 0.11 0.78 0.07 0.00 0.00 0.00 0.00 60.65 61.60 1p89 s ILE 189 Cb -0.19 -3.72 -0.05 0.00 0.01 0.00 0.00 42.46 38.51 1p89 s ILE 189 CO -0.15 0.28 0.16 0.00 0.00 0.00 0.00 174.94 175.23 1p89 s ARG 190 N -1.86 2.19 -0.49 2.79 1.70 0.27 0.33 118.95 123.88 1p89 s ARG 190 Ca 0.36 -1.93 -0.04 0.00 -0.47 0.00 0.00 55.73 53.65 1p89 s ARG 190 Cb -0.15 -1.91 0.13 0.00 -0.57 0.00 0.00 34.95 32.45 1p89 s ARG 190 CO 0.19 -0.15 0.31 0.42 -1.08 0.00 0.00 175.30 174.98 1p89 s ILE 191 N -2.64 3.62 0.00 4.99 -1.09 0.63 0.19 121.20 126.89 1p89 s ILE 191 Ca 0.38 -2.27 0.00 0.00 -2.23 0.00 0.00 60.65 56.53 1p89 s ILE 191 Cb 0.04 -3.42 0.00 0.00 -1.58 0.00 0.00 42.46 37.50 1p89 s ILE 191 CO 0.21 -0.77 0.44 0.29 -1.23 0.00 0.00 174.94 173.89 1p89 n LYS 192 N 4.33 0.00 -2.10 2.79 5.02 0.13 -4.81 118.16 123.52 1p89 n LYS 192 Ca -0.00 0.07 -0.28 0.00 -2.02 0.00 0.00 58.31 56.08 1p89 n LYS 192 Cb 0.40 -0.94 0.06 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 1.64 0.08 0.72 0.00 -1.26 -4.90 107.32 103.59 1p89 s GLY 193 Ca 0.00 -0.71 -0.31 0.00 0.00 0.00 0.00 44.72 43.71 1p89 s GLY 193 CO 0.00 -0.31 1.91 2.09 0.00 0.00 0.00 173.10 176.79 1p89 n ASP 194 N -2.97 4.08 -4.64 1.64 5.75 -1.26 -3.02 116.55 116.12 1p89 n ASP 194 Ca 0.07 0.95 -0.39 0.00 -0.01 0.00 0.00 54.79 55.41 1p89 n ASP 194 Cb 0.59 -1.53 0.04 0.00 -1.03 0.00 0.00 41.12 39.20 1p89 n ASP 194 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1p89 n LEU 195 N 6.55 3.87 -0.02 -2.12 7.94 -1.26 -2.56 117.00 129.41 1p89 n LEU 195 Ca 0.19 0.89 0.07 0.00 -1.11 0.00 0.00 56.01 56.05 1p89 n LEU 195 Cb 0.39 -1.42 -0.14 0.00 0.53 0.00 0.00 43.42 42.78 1p89 n LEU 195 CO 0.67 -1.49 -0.74 0.55 -1.11 0.00 0.00 177.39 175.27 1p89 n VAL 196 N -1.31 0.12 -2.48 1.96 3.14 -1.17 -4.50 118.33 114.10 1p89 n VAL 196 Ca 0.12 -0.44 -0.18 0.00 -2.96 0.00 0.00 64.34 60.89 1p89 n VAL 196 Cb 0.45 0.03 0.02 0.00 -1.06 0.00 0.00 33.84 33.27 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 -2.17 3.45 -0.21 6.55 7.64 -1.26 -4.90 113.62 122.73 1p89 n SER 197 Ca -0.06 -3.21 -0.11 0.00 1.01 0.00 0.00 58.87 56.51 1p89 n SER 197 Cb 0.52 -0.45 -0.08 0.00 -1.01 0.00 0.00 64.21 63.19 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 -0.20 0.00 1.43 3.64 -1.96 0.30 116.57 122.38 1p89 h LYS 198 Ca 0.15 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1p89 h LYS 198 Cb 1.18 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1p89 h LYS 198 CO 0.64 -0.13 0.00 -1.35 -2.27 0.00 0.00 179.45 176.33 1p89 h PRO 199 N -0.21 0.00 -0.00 1.90 0.11 -1.98 -2.32 132.00 129.50 1p89 h PRO 199 Ca 0.09 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 66.03 1p89 h PRO 199 Cb 0.44 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.53 1p89 h PRO 199 CO -0.61 0.00 -0.77 1.88 -0.21 0.00 0.00 178.00 178.29 1p89 h TYR 200 N 0.00 0.07 -0.18 0.65 -1.99 -0.96 -3.07 116.97 111.49 1p89 h TYR 200 Ca 0.00 -0.04 -0.10 0.00 2.00 0.00 0.00 58.73 60.59 1p89 h TYR 200 Cb 0.40 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.11 1p89 h TYR 200 CO 0.00 0.80 -0.32 0.97 -0.00 0.00 0.00 178.16 179.61 1p89 h ILE 201 N 0.03 1.28 -0.39 -2.88 6.09 -0.10 -2.24 117.51 119.30 1p89 h ILE 201 Ca -0.01 -1.36 0.01 0.00 -1.37 0.00 0.00 64.86 62.12 1p89 h ILE 201 Cb 1.35 1.50 -0.02 0.00 0.47 0.00 0.00 36.82 40.12 1p89 h ILE 201 CO 0.10 0.42 0.26 -0.78 -3.07 0.00 0.00 178.15 175.08 1p89 h ASP 202 N 0.32 0.43 0.42 2.19 1.82 -1.56 0.55 116.42 120.59 1p89 h ASP 202 Ca 0.04 -0.01 -0.09 0.00 -0.39 0.00 0.00 57.03 56.58 1p89 h ASP 202 Cb 0.73 -0.11 -0.01 0.00 0.68 0.00 0.00 39.33 40.62 1p89 h ASP 202 CO 0.06 0.31 -0.41 0.40 -1.61 0.00 0.00 179.24 177.98 1p89 h ILE 203 N 0.50 1.28 0.46 2.25 2.04 -1.45 0.19 117.51 122.78 1p89 h ILE 203 Ca 0.15 -1.41 -0.02 0.00 1.00 0.00 0.00 64.86 64.57 1p89 h ILE 203 Cb -0.02 1.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 1p89 h ILE 203 CO -0.03 0.40 -0.22 0.74 0.00 0.00 0.00 178.15 179.04 1p89 h THR 204 N 0.00 0.55 -0.16 -0.27 2.02 -0.77 0.40 112.91 114.68 1p89 h THR 204 Ca -0.00 -0.09 -0.14 0.00 0.77 0.00 0.00 66.41 66.95 1p89 h THR 204 Cb 0.73 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 1p89 h THR 204 CO 0.05 0.02 -0.49 -0.07 0.37 0.00 0.00 175.52 175.40 1p89 h LEU 205 N -0.66 0.47 -1.65 2.58 3.38 -1.44 -0.59 115.31 117.40 1p89 h LEU 205 Ca -0.06 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.64 1p89 h LEU 205 Cb 0.50 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1p89 h LEU 205 CO 0.10 0.88 -0.18 -1.13 0.09 0.00 0.00 178.44 178.21 1p89 h ASN 206 N 0.34 0.00 0.11 -0.43 -0.73 -0.40 0.70 115.58 115.17 1p89 h ASN 206 Ca 0.02 0.00 -0.28 0.00 1.87 0.00 0.00 56.30 57.91 1p89 h ASN 206 Cb 0.98 0.00 0.03 0.00 0.27 0.00 0.00 38.32 39.60 1p89 h ASN 206 CO 0.09 0.18 -1.14 0.25 -0.37 0.00 0.00 177.43 176.43 1p89 h LEU 207 N 0.00 0.82 -0.55 0.34 7.12 0.27 -2.70 115.31 120.61 1p89 h LEU 207 Ca -0.00 -0.82 -0.14 0.00 0.13 0.00 0.00 57.88 57.05 1p89 h LEU 207 Cb 0.32 -0.26 -0.01 0.00 -0.53 0.00 0.00 40.66 40.18 1p89 h LEU 207 CO 0.02 1.56 -0.30 0.24 -0.13 0.00 0.00 178.44 179.83 1p89 h MET 208 N 0.19 0.85 -0.28 1.25 2.86 -0.36 -2.96 114.93 116.48 1p89 h MET 208 Ca -0.17 -0.39 -0.05 0.00 -2.06 0.00 0.00 59.70 57.03 1p89 h MET 208 Cb 1.83 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 33.47 1p89 h MET 208 CO 0.22 1.03 -0.03 1.57 1.06 0.00 0.00 176.91 180.76 1p89 h LYS 209 N 0.72 0.51 -0.08 1.72 2.10 0.18 -0.72 116.57 120.99 1p89 h LYS 209 Ca 0.08 -0.17 0.02 0.00 -2.00 0.00 0.00 60.65 58.58 1p89 h LYS 209 Cb 0.85 -0.04 -0.00 0.00 -0.90 0.00 0.00 32.23 32.14 1p89 h LYS 209 CO 0.07 0.68 0.08 0.00 -2.00 0.00 0.00 179.45 178.29 1p89 h THR 210 N 0.28 0.57 0.12 0.07 1.03 -1.47 -2.24 112.91 111.27 1p89 h THR 210 Ca 0.08 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 66.47 1p89 h THR 210 Cb 0.47 0.94 0.00 0.00 -1.07 0.00 0.00 68.15 68.49 1p89 h THR 210 CO 0.02 0.00 -0.06 -0.26 -0.01 0.00 0.00 175.52 175.21 1p89 h PHE 211 N 0.00 -0.15 0.00 0.00 -1.00 -1.28 -3.42 116.94 111.10 1p89 h PHE 211 Ca 0.04 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.81 1p89 h PHE 211 Cb 0.20 0.05 0.00 0.00 3.61 0.00 0.00 35.95 39.81 1p89 h PHE 211 CO 0.00 0.31 0.00 0.41 -1.61 0.00 0.00 178.31 177.42 1p89 n GLY 212 N 0.91 -0.13 3.36 -1.45 0.00 -0.63 -2.48 105.19 104.78 1p89 n GLY 212 Ca -0.07 0.00 -0.32 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 2.44 0.07 1.61 1.01 -0.37 -4.77 120.40 120.38 1p89 s VAL 213 Ca 0.00 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.05 1p89 s VAL 213 Cb 0.00 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 1p89 s VAL 213 CO 0.00 0.58 -0.08 -1.61 0.00 0.00 0.00 175.10 173.99 1p89 s GLU 214 N -0.48 0.71 0.38 2.72 2.02 -1.26 -1.27 118.70 121.52 1p89 s GLU 214 Ca 0.06 -1.07 0.04 0.00 0.02 0.00 0.00 54.97 54.02 1p89 s GLU 214 Cb -0.11 -0.29 -0.04 0.00 0.10 0.00 0.00 34.13 33.79 1p89 s GLU 214 CO 0.01 0.03 0.10 0.96 0.02 0.00 0.00 175.26 176.38 1p89 s ILE 215 N -2.51 0.78 -0.17 -1.63 -5.25 -1.26 -4.47 121.20 106.68 1p89 s ILE 215 Ca 0.02 -2.00 -0.20 0.00 -0.99 0.00 0.00 60.65 57.48 1p89 s ILE 215 Cb -0.02 -2.47 -0.03 0.00 2.95 0.00 0.00 42.46 42.88 1p89 s ILE 215 CO -0.02 0.00 0.59 -0.70 -1.79 0.00 0.00 174.94 173.02 1p89 s GLU 216 N -3.78 4.26 -0.52 0.37 2.12 0.44 -4.97 118.70 116.61 1p89 s GLU 216 Ca 0.27 0.57 -0.15 0.00 0.36 0.00 0.00 54.97 56.02 1p89 s GLU 216 Cb 0.04 -3.53 0.12 0.00 0.26 0.00 0.00 34.13 31.02 1p89 s GLU 216 CO 0.14 -0.11 0.46 0.54 -0.54 0.00 0.00 175.26 175.74 1p89 s ASN 217 N 1.04 6.10 0.71 -1.70 2.20 -1.26 -0.69 114.94 121.34 1p89 s ASN 217 Ca 0.28 -1.73 0.00 0.00 -0.94 0.00 0.00 52.86 50.47 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 0.00 -2.94 0.00 0.00 177.10 173.48 1p89 n GLN 218 N 5.19 -0.65 -0.66 3.55 1.13 -0.77 -4.74 117.38 120.42 1p89 n GLN 218 Ca -0.13 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 1.58 -1.44 0.00 0.00 177.06 177.20 1p89 n HIS 219 N -2.08 0.00 -1.52 1.08 -0.00 -1.26 -4.51 115.22 106.92 1p89 n HIS 219 Ca 0.00 -1.02 -0.18 0.00 0.46 0.00 0.00 57.72 56.98 1p89 n HIS 219 Cb 0.00 -1.12 -0.08 0.00 -0.12 0.00 0.00 29.99 28.67 1p89 n HIS 219 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1p89 n TYR 220 N 2.46 -0.10 0.01 1.57 4.01 -1.26 -4.74 117.16 119.11 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 -3.19 -0.06 0.00 -0.31 0.00 0.00 39.34 36.40 1p89 n TYR 220 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1p89 n GLN 221 N -2.13 0.35 -3.75 -0.72 10.64 -1.26 -4.80 117.38 115.72 1p89 n GLN 221 Ca -0.18 -0.07 -0.13 0.00 -1.83 0.00 0.00 57.00 54.79 1p89 n GLN 221 Cb 0.61 -1.17 -0.10 0.00 -0.86 0.00 0.00 30.24 28.72 1p89 n GLN 221 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.06 174.58 1p89 s GLN 222 N -2.51 0.48 -0.47 2.61 -0.21 -1.26 0.23 119.66 118.53 1p89 s GLN 222 Ca -0.03 0.40 -0.02 0.00 0.02 0.00 0.00 55.36 55.74 1p89 s GLN 222 Cb 0.05 0.23 0.12 0.00 1.00 0.00 0.00 33.01 34.41 1p89 s GLN 222 CO 0.32 -0.08 0.26 -0.06 -2.12 0.00 0.00 175.29 173.61 1p89 s PHE 223 N -0.06 3.53 -0.45 0.91 0.40 1.01 -1.85 117.98 121.48 1p89 s PHE 223 Ca -0.02 -2.61 -0.27 0.00 -0.60 0.00 0.00 56.93 53.43 1p89 s PHE 223 Cb -0.03 -3.16 0.03 0.00 0.51 0.00 0.00 43.02 40.36 1p89 s PHE 223 CO 0.01 -0.92 1.01 0.08 0.70 0.00 0.00 175.22 176.10 1p89 s VAL 224 N 0.69 4.39 -0.37 -0.44 1.01 0.14 -1.69 120.40 124.13 1p89 s VAL 224 Ca 0.11 1.04 -0.14 0.00 0.00 0.00 0.00 61.98 62.99 1p89 s VAL 224 Cb -0.22 -4.48 -0.00 0.00 0.00 0.00 0.00 36.38 31.67 1p89 s VAL 224 CO -0.04 -0.84 0.27 0.68 0.00 0.00 0.00 175.10 175.17 1p89 s VAL 225 N 3.97 5.27 -0.42 2.92 -7.23 0.22 0.17 120.40 125.29 1p89 s VAL 225 Ca 0.42 -0.39 -0.27 0.00 -1.81 0.00 0.00 61.98 59.93 1p89 s VAL 225 Cb -0.09 -3.81 -0.05 0.00 0.56 0.00 0.00 36.38 32.99 1p89 s VAL 225 CO 0.27 -0.14 2.19 -0.54 -0.31 0.00 0.00 175.10 176.57 1p89 s LYS 226 N 1.72 2.60 0.81 4.82 3.01 -1.26 -1.45 119.74 129.99 1p89 s LYS 226 Ca 0.06 1.44 -0.14 0.00 -1.01 0.00 0.00 55.97 56.32 1p89 s LYS 226 Cb -0.18 -4.45 0.05 0.00 -1.01 0.00 0.00 37.83 32.24 1p89 s LYS 226 CO 0.10 -2.72 0.97 0.41 0.51 0.00 0.00 175.35 174.63 1p89 n GLY 227 N 5.82 -0.55 1.38 -3.33 0.00 -1.24 -3.48 105.19 103.80 1p89 n GLY 227 Ca 0.31 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1p89 n GLY 227 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p89 n GLY 228 N 0.89 0.69 3.70 -0.02 0.00 0.57 -4.68 105.19 106.35 1p89 n GLY 228 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1p89 n GLY 228 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1p89 s GLN 229 N -0.35 -0.74 -0.30 1.61 -1.52 0.39 -4.92 119.66 113.83 1p89 s GLN 229 Ca 0.00 -0.23 -0.06 0.00 -1.95 0.00 0.00 55.36 53.13 1p89 s GLN 229 Cb 0.00 -1.67 0.19 0.00 -0.22 0.00 0.00 33.01 31.31 1p89 s GLN 229 CO 0.00 -3.36 0.84 -1.12 -0.25 0.00 0.00 175.29 171.40 1p89 s SER 230 N -4.26 -0.93 0.41 5.90 0.01 -1.26 -4.28 113.70 109.29 1p89 s SER 230 Ca 0.73 0.35 -0.25 0.00 1.31 0.00 0.00 55.95 58.08 1p89 s SER 230 Cb -0.07 1.69 -0.10 0.00 0.21 0.00 0.00 66.02 67.74 1p89 s SER 230 CO 0.55 -0.17 1.18 -1.22 0.41 0.00 0.00 173.24 173.99 1p89 n TYR 231 N 5.37 1.83 -4.16 2.43 4.01 -1.25 -4.59 117.16 120.79 1p89 n TYR 231 Ca 0.01 0.53 -0.31 0.00 -0.16 0.00 0.00 57.90 57.97 1p89 n TYR 231 Cb 0.54 -2.33 -0.08 0.00 -0.31 0.00 0.00 39.34 37.16 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 -2.09 2.64 -0.46 -0.72 -0.21 -1.03 -0.24 119.66 117.55 1p89 s GLN 232 Ca 0.61 -0.76 -0.27 0.00 0.02 0.00 0.00 55.36 54.96 1p89 s GLN 232 Cb -0.54 -2.59 -0.04 0.00 1.00 0.00 0.00 33.01 30.83 1p89 s GLN 232 CO 0.58 0.56 2.13 -1.54 -2.12 0.00 0.00 175.29 174.91 1p89 s SER 233 N -2.12 5.05 0.27 5.90 1.04 -1.17 -4.32 113.70 118.35 1p89 s SER 233 Ca 0.24 1.02 0.08 0.00 0.48 0.00 0.00 55.95 57.78 1p89 s SER 233 Cb -0.12 -2.51 0.36 0.00 0.10 0.00 0.00 66.02 63.85 1p89 s SER 233 CO 0.17 -2.42 1.62 -0.65 0.98 0.00 0.00 173.24 172.93 1p89 h PRO 234 N 16.56 0.12 0.00 4.02 0.11 -1.82 -3.50 132.00 147.50 1p89 h PRO 234 Ca -0.29 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1p89 h PRO 234 Cb 1.22 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1p89 h PRO 234 CO 1.13 0.66 0.00 0.41 -0.21 0.00 0.00 178.00 179.98 1p89 n GLY 235 N 0.14 0.38 3.58 -0.55 0.00 -1.26 -4.94 105.19 102.53 1p89 n GLY 235 Ca -0.02 -1.24 -0.41 0.00 0.00 0.00 0.00 46.02 44.36 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 5.02 -0.04 2.61 2.01 -1.26 0.10 115.64 124.09 1p89 s THR 236 Ca 0.00 0.57 0.05 0.00 0.31 0.00 0.00 61.69 62.62 1p89 s THR 236 Cb 0.00 -3.92 -0.01 0.00 0.01 0.00 0.00 72.50 68.58 1p89 s THR 236 CO 0.00 -0.11 -0.20 -0.47 -0.69 0.00 0.00 174.62 173.14 1p89 s TYR 237 N 2.40 1.95 -0.28 4.92 5.04 0.22 -4.92 117.35 126.68 1p89 s TYR 237 Ca 0.20 -0.51 -0.13 0.00 -2.44 0.00 0.00 57.07 54.20 1p89 s TYR 237 Cb -0.15 -1.29 -0.04 0.00 0.35 0.00 0.00 41.96 40.83 1p89 s TYR 237 CO 0.12 -0.14 0.27 -1.17 -1.34 0.00 0.00 175.55 173.30 1p89 s LEU 238 N -0.18 4.08 0.00 6.97 2.96 -1.26 -0.09 118.68 131.16 1p89 s LEU 238 Ca 0.00 0.07 0.00 0.00 -0.22 0.00 0.00 54.13 53.98 1p89 s LEU 238 Cb -0.11 -2.25 0.00 0.00 0.50 0.00 0.00 46.19 44.33 1p89 s LEU 238 CO 0.02 -0.13 0.41 0.52 -1.32 0.00 0.00 176.35 175.85 1p89 n VAL 239 N 5.10 0.00 -0.21 1.68 0.31 0.34 -4.85 118.33 120.70 1p89 n VAL 239 Ca -0.11 0.91 0.00 0.00 -0.01 0.00 0.00 64.34 65.12 1p89 n VAL 239 Cb 0.51 -1.73 0.00 0.00 -0.91 0.00 0.00 33.84 31.71 1p89 n VAL 239 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72