#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 -0.83 4.04 2.35 -1.92 -3.12 115.58 116.10 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 -0.04 0.00 0.05 0.00 0.00 38.32 38.33 1p89 h ASN 26 CO 0.00 0.18 0.42 0.03 -1.65 0.00 0.00 177.43 176.40 1p89 h ARG 27 N 0.00 1.19 -0.08 0.81 3.08 -2.00 -2.20 114.38 115.19 1p89 h ARG 27 Ca -0.00 -0.17 -0.22 0.00 0.07 0.00 0.00 59.98 59.66 1p89 h ARG 27 Cb 0.88 -0.22 0.01 0.00 0.08 0.00 0.00 29.97 30.71 1p89 h ARG 27 CO 0.02 0.91 -0.84 0.00 -1.07 0.00 0.00 179.97 178.99 1p89 h ALA 28 N 1.22 0.38 -0.34 0.04 0.00 -1.96 -0.69 119.26 117.90 1p89 h ALA 28 Ca 0.29 -0.64 0.02 0.00 0.00 0.00 0.00 54.91 54.58 1p89 h ALA 28 Cb 0.10 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1p89 h ALA 28 CO -0.04 0.73 0.17 -0.07 0.00 0.00 0.00 179.25 180.05 1p89 h LEU 29 N 0.38 0.25 0.01 0.00 3.38 -1.43 0.25 115.31 118.15 1p89 h LEU 29 Ca -0.06 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1p89 h LEU 29 Cb 1.46 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.18 1p89 h LEU 29 CO 0.16 0.19 -0.15 0.25 0.09 0.00 0.00 178.44 178.98 1p89 h LEU 30 N 0.35 0.10 -1.48 1.67 5.85 -1.47 -2.64 115.31 117.69 1p89 h LEU 30 Ca 0.14 -0.88 0.13 0.00 0.84 0.00 0.00 57.88 58.11 1p89 h LEU 30 Cb 0.05 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 1p89 h LEU 30 CO -0.10 0.98 0.50 -0.07 -0.34 0.00 0.00 178.44 179.41 1p89 h LEU 31 N -0.76 0.49 -0.19 2.25 3.38 -1.06 0.10 115.31 119.53 1p89 h LEU 31 Ca -0.02 0.02 -0.19 0.00 0.09 0.00 0.00 57.88 57.78 1p89 h LEU 31 Cb 1.01 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.66 1p89 h LEU 31 CO 0.03 0.27 -0.88 0.00 0.09 0.00 0.00 178.44 177.95 1p89 h ALA 32 N 1.63 0.52 -0.02 1.53 0.00 -0.59 -2.92 119.26 119.41 1p89 h ALA 32 Ca 0.37 -0.80 -0.11 0.00 0.00 0.00 0.00 54.91 54.36 1p89 h ALA 32 Cb 0.68 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1p89 h ALA 32 CO -0.13 1.10 -0.51 0.00 0.00 0.00 0.00 179.25 179.71 1p89 h ALA 33 N 1.12 1.12 0.00 0.00 0.00 -0.45 -2.85 119.26 118.20 1p89 h ALA 33 Ca -0.01 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1p89 h ALA 33 Cb 1.59 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1p89 h ALA 33 CO 0.11 0.64 -0.59 1.28 0.00 0.00 0.00 179.25 180.70 1p89 n LEU 34 N -3.94 0.58 -4.90 0.00 4.77 -0.61 0.16 117.00 113.07 1p89 n LEU 34 Ca -0.02 0.11 -0.29 0.00 -0.03 0.00 0.00 56.01 55.79 1p89 n LEU 34 Cb 0.53 -0.21 0.08 0.00 -2.33 0.00 0.00 43.42 41.48 1p89 n LEU 34 CO 0.41 0.04 0.77 0.00 -1.33 0.00 0.00 177.39 177.27 1p89 s ALA 35 N -3.09 2.75 -0.55 -1.18 0.00 -1.09 -3.32 121.76 115.28 1p89 s ALA 35 Ca 0.08 -0.60 -0.13 0.00 0.00 0.00 0.00 51.96 51.32 1p89 s ALA 35 Cb 0.15 -2.95 0.14 0.00 0.00 0.00 0.00 23.12 20.46 1p89 s ALA 35 CO 0.71 -1.52 0.47 -1.01 0.00 0.00 0.00 175.76 174.41 1p89 s HIS 36 N -3.50 3.39 0.00 0.00 3.76 0.84 -0.02 115.29 119.75 1p89 s HIS 36 Ca 0.61 -1.66 0.00 0.00 -0.15 0.00 0.00 55.06 53.86 1p89 s HIS 36 Cb -0.11 -3.66 0.00 0.00 1.11 0.00 0.00 32.58 29.92 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 4.89 3.29 3.76 -2.22 0.00 -1.24 -2.79 105.19 110.89 1p89 n GLY 37 Ca -0.07 -1.56 -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 -4.89 4.27 0.11 1.61 2.20 -1.25 -2.52 119.74 119.26 1p89 s LYS 38 Ca 0.00 2.33 0.03 0.00 -0.36 0.00 0.00 55.97 57.97 1p89 s LYS 38 Cb 0.00 -3.06 -0.04 0.00 -1.51 0.00 0.00 37.83 33.22 1p89 s LYS 38 CO 0.00 -0.34 -0.09 0.99 -0.36 0.00 0.00 175.35 175.55 1p89 s THR 39 N -0.80 0.94 -0.07 3.43 2.01 0.17 -4.63 115.64 116.68 1p89 s THR 39 Ca 0.53 -1.82 -0.02 0.00 0.31 0.00 0.00 61.69 60.68 1p89 s THR 39 Cb -0.42 -1.57 -0.04 0.00 0.01 0.00 0.00 72.50 70.49 1p89 s THR 39 CO 0.53 -0.69 0.05 -0.69 -0.69 0.00 0.00 174.62 173.13 1p89 s VAL 40 N -2.97 4.67 -0.21 3.82 1.01 0.29 0.59 120.40 127.60 1p89 s VAL 40 Ca 0.10 -0.20 -0.00 0.00 0.00 0.00 0.00 61.98 61.88 1p89 s VAL 40 Cb 0.01 -3.03 0.05 0.00 0.00 0.00 0.00 36.38 33.41 1p89 s VAL 40 CO -0.01 0.54 -0.04 -1.48 0.00 0.00 0.00 175.10 174.11 1p89 s LEU 41 N -1.14 2.08 0.47 3.92 2.34 0.38 0.22 118.68 126.94 1p89 s LEU 41 Ca 0.16 -0.97 0.06 0.00 0.06 0.00 0.00 54.13 53.45 1p89 s LEU 41 Cb -0.12 -1.02 0.03 0.00 -0.56 0.00 0.00 46.19 44.52 1p89 s LEU 41 CO 0.06 -0.23 0.65 0.28 -1.06 0.00 0.00 176.35 176.05 1p89 s THR 42 N 1.53 2.82 -1.27 5.48 -1.32 0.36 -0.06 115.64 123.18 1p89 s THR 42 Ca -0.03 -0.92 0.00 0.00 -1.21 0.00 0.00 61.69 59.53 1p89 s THR 42 Cb -0.17 -2.91 0.00 0.00 -1.51 0.00 0.00 72.50 67.91 1p89 s THR 42 CO -0.07 0.00 0.00 -3.20 -2.21 0.00 0.00 174.62 169.14 1p89 n ASN 43 N -2.02 -4.83 -4.55 8.08 5.15 0.49 0.32 115.26 117.90 1p89 n ASN 43 Ca 0.09 0.30 -0.30 0.00 -0.60 0.00 0.00 54.58 54.06 1p89 n ASN 43 Cb 0.59 -3.38 0.19 0.00 -0.53 0.00 0.00 39.78 36.66 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 -1.36 0.97 -4.56 1.20 7.94 0.11 -3.99 117.00 117.31 1p89 n LEU 44 Ca -0.12 0.18 -0.40 0.00 -1.11 0.00 0.00 56.01 54.56 1p89 n LEU 44 Cb 0.46 -1.34 -0.10 0.00 0.53 0.00 0.00 43.42 42.97 1p89 n LEU 44 CO 0.18 -2.77 -0.01 -0.22 -1.11 0.00 0.00 177.39 173.47 1p89 s LEU 45 N -5.87 4.33 -1.16 -1.96 2.96 -1.26 -4.43 118.68 111.29 1p89 s LEU 45 Ca 0.66 -0.15 -0.18 0.00 -0.22 0.00 0.00 54.13 54.24 1p89 s LEU 45 Cb -0.23 -2.30 -0.04 0.00 0.50 0.00 0.00 46.19 44.12 1p89 s LEU 45 CO 0.62 -0.27 2.04 -0.67 -1.32 0.00 0.00 176.35 176.76 1p89 n ASP 46 N 5.30 3.41 -0.38 3.68 2.03 -1.23 -4.62 116.55 124.75 1p89 n ASP 46 Ca -0.10 -2.78 0.00 0.00 0.52 0.00 0.00 54.79 52.43 1p89 n ASP 46 Cb 0.50 -1.47 0.00 0.00 -0.72 0.00 0.00 41.12 39.43 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 7.51 0.51 -0.01 1.67 7.64 -1.26 -5.06 113.62 124.63 1p89 n SER 47 Ca 0.50 -0.30 0.07 0.00 1.01 0.00 0.00 58.87 60.15 1p89 n SER 47 Cb 0.41 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.47 1p89 n SER 47 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1p89 n ASP 48 N -0.74 0.16 0.18 6.43 -0.08 -1.26 -3.56 116.55 117.67 1p89 n ASP 48 Ca 0.00 0.06 0.03 0.00 -1.51 0.00 0.00 54.79 53.37 1p89 n ASP 48 Cb 0.00 1.52 0.37 0.00 2.34 0.00 0.00 41.12 45.36 1p89 n ASP 48 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 1p89 h ASP 49 N 0.00 0.04 0.00 1.67 5.19 -1.91 -2.49 116.42 118.92 1p89 h ASP 49 Ca -0.11 -0.01 -0.04 0.00 -0.62 0.00 0.00 57.03 56.25 1p89 h ASP 49 Cb 1.25 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.75 1p89 h ASP 49 CO 0.01 0.36 -0.36 0.58 -3.12 0.00 0.00 179.24 176.71 1p89 h VAL 50 N 0.04 0.56 -0.70 -1.35 2.07 -1.82 -3.16 116.25 111.89 1p89 h VAL 50 Ca 0.00 -1.51 0.20 0.00 0.82 0.00 0.00 66.70 66.22 1p89 h VAL 50 Cb 0.59 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 1p89 h VAL 50 CO 0.04 0.19 0.65 0.08 0.02 0.00 0.00 177.57 178.55 1p89 h ARG 51 N -1.00 0.00 -0.26 1.57 0.11 -1.61 1.40 114.38 114.58 1p89 h ARG 51 Ca -0.06 0.00 -0.17 0.00 0.10 0.00 0.00 59.98 59.84 1p89 h ARG 51 Cb 0.59 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.67 1p89 h ARG 51 CO -0.04 0.00 -0.52 0.45 0.10 0.00 0.00 179.97 179.96 1p89 h HIS 52 N 0.00 1.03 -0.18 4.08 3.86 -1.55 1.67 115.15 124.06 1p89 h HIS 52 Ca 0.33 -0.37 -0.02 0.00 -1.16 0.00 0.00 60.37 59.15 1p89 h HIS 52 Cb 1.64 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 29.91 1p89 h HIS 52 CO 0.00 1.19 0.04 1.98 0.86 0.00 0.00 177.93 181.99 1p89 h MET 53 N 0.58 0.29 -0.19 2.45 1.85 0.18 0.30 114.93 120.39 1p89 h MET 53 Ca 0.01 -0.07 -0.02 0.00 -0.61 0.00 0.00 59.70 59.00 1p89 h MET 53 Cb 1.13 -0.04 -0.01 0.00 0.43 0.00 0.00 31.60 33.11 1p89 h MET 53 CO 0.12 0.44 0.03 -0.07 -0.40 0.00 0.00 176.91 177.02 1p89 h LEU 54 N 0.10 0.30 -2.43 3.39 4.07 -0.70 -1.64 115.31 118.40 1p89 h LEU 54 Ca 0.06 -0.27 0.02 0.00 0.08 0.00 0.00 57.88 57.77 1p89 h LEU 54 Cb 0.29 -0.08 -0.00 0.00 1.08 0.00 0.00 40.66 41.94 1p89 h LEU 54 CO 0.00 0.49 0.15 -1.13 -1.08 0.00 0.00 178.44 176.87 1p89 h ASN 55 N 0.10 0.00 -0.01 -0.43 -0.00 0.27 -0.50 115.58 115.01 1p89 h ASN 55 Ca 0.06 0.00 -0.05 0.00 -0.00 0.00 0.00 56.30 56.31 1p89 h ASN 55 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.64 1p89 h ASN 55 CO 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 177.43 177.26 1p89 h ALA 56 N 1.78 0.04 -0.03 1.57 0.00 0.52 -3.01 119.26 120.13 1p89 h ALA 56 Ca 0.04 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1p89 h ALA 56 Cb 0.33 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1p89 h ALA 56 CO -0.00 0.02 -0.01 -0.07 0.00 0.00 0.00 179.25 179.19 1p89 h LEU 57 N -0.51 0.06 -1.98 0.00 3.38 -0.67 -2.81 115.31 112.78 1p89 h LEU 57 Ca -0.02 -0.41 0.24 0.00 0.09 0.00 0.00 57.88 57.78 1p89 h LEU 57 Cb 0.90 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.59 1p89 h LEU 57 CO 0.04 0.45 0.60 0.00 0.09 0.00 0.00 178.44 179.62 1p89 h THR 58 N -0.34 0.59 0.21 0.22 1.03 -1.27 0.11 112.91 113.46 1p89 h THR 58 Ca 0.01 -0.01 -0.01 0.00 -0.01 0.00 0.00 66.41 66.39 1p89 h THR 58 Cb 0.43 0.57 -0.00 0.00 -1.07 0.00 0.00 68.15 68.07 1p89 h THR 58 CO 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 175.52 175.39 1p89 h ALA 59 N 1.58 -0.32 0.00 0.00 0.00 -1.35 -1.38 119.26 117.80 1p89 h ALA 59 Ca 0.40 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.20 1p89 h ALA 59 Cb 1.58 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 1p89 h ALA 59 CO -0.01 -0.69 -0.22 -0.07 0.00 0.00 0.00 179.25 178.27 1p89 h LEU 60 N -0.33 0.00 0.00 0.00 4.07 -0.84 -3.46 115.31 114.75 1p89 h LEU 60 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1p89 h LEU 60 Cb 0.27 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.01 1p89 h LEU 60 CO 0.02 0.22 0.00 0.61 -1.08 0.00 0.00 178.44 178.21 1p89 n GLY 61 N -0.75 -0.06 3.61 0.83 0.00 -0.23 -4.77 105.19 103.81 1p89 n GLY 61 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 1p89 n GLY 61 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1p89 n VAL 62 N 0.00 2.40 -3.94 1.61 0.31 -0.16 -4.86 118.33 113.69 1p89 n VAL 62 Ca 0.00 -0.33 -0.35 0.00 -0.01 0.00 0.00 64.34 63.66 1p89 n VAL 62 Cb 0.00 -1.07 -0.14 0.00 -0.91 0.00 0.00 33.84 31.72 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 -1.75 4.62 0.14 4.52 0.01 -1.26 -3.97 113.70 116.00 1p89 s SER 63 Ca 0.72 -1.10 0.06 0.00 1.31 0.00 0.00 55.95 56.93 1p89 s SER 63 Cb -0.33 -1.68 -0.04 0.00 0.21 0.00 0.00 66.02 64.18 1p89 s SER 63 CO 0.52 -0.20 -0.13 -0.72 0.41 0.00 0.00 173.24 173.12 1p89 s TYR 64 N 1.28 1.40 -0.19 2.43 -0.85 -1.25 0.11 117.35 120.28 1p89 s TYR 64 Ca -0.03 -0.62 -0.05 0.00 -0.52 0.00 0.00 57.07 55.86 1p89 s TYR 64 Cb -0.18 -0.71 0.09 0.00 0.38 0.00 0.00 41.96 41.54 1p89 s TYR 64 CO -0.03 0.15 0.33 0.99 -1.52 0.00 0.00 175.55 175.48 1p89 s THR 65 N -2.60 -0.52 0.71 -3.49 2.01 -0.66 -4.87 115.64 106.21 1p89 s THR 65 Ca 0.13 0.11 -0.02 0.00 0.31 0.00 0.00 61.69 62.21 1p89 s THR 65 Cb -0.02 -0.63 0.11 0.00 0.01 0.00 0.00 72.50 71.97 1p89 s THR 65 CO 0.03 -0.00 0.99 -0.76 -0.69 0.00 0.00 174.62 174.19 1p89 s LEU 66 N 2.49 2.98 0.83 4.42 2.01 -1.25 0.30 118.68 130.47 1p89 s LEU 66 Ca 0.04 -0.15 -0.06 0.00 0.01 0.00 0.00 54.13 53.97 1p89 s LEU 66 Cb -0.13 -2.29 0.17 0.00 0.01 0.00 0.00 46.19 43.95 1p89 s LEU 66 CO -0.12 -1.79 1.14 -0.55 1.01 0.00 0.00 176.35 176.04 1p89 s SER 67 N -4.67 3.73 0.28 2.29 0.15 0.28 -4.86 113.70 110.89 1p89 s SER 67 Ca 0.65 -0.24 0.21 0.00 0.70 0.00 0.00 55.95 57.26 1p89 s SER 67 Cb -0.07 0.07 1.03 0.00 -1.71 0.00 0.00 66.02 65.35 1p89 s SER 67 CO 0.44 -2.30 1.63 0.00 1.20 0.00 0.00 173.24 174.22 1p89 n ALA 68 N -3.23 1.25 0.03 5.45 0.00 -1.26 -1.17 120.51 121.58 1p89 n ALA 68 Ca 0.16 0.15 0.01 0.00 0.00 0.00 0.00 53.44 53.76 1p89 n ALA 68 Cb 0.60 -1.32 0.01 0.00 0.00 0.00 0.00 19.45 18.74 1p89 n ALA 68 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1p89 n ASP 69 N -2.19 1.34 -3.33 0.00 9.92 -1.26 -5.00 116.55 116.03 1p89 n ASP 69 Ca -0.00 -1.28 -0.19 0.00 -0.53 0.00 0.00 54.79 52.79 1p89 n ASP 69 Cb 0.10 -0.01 0.08 0.00 -0.64 0.00 0.00 41.12 40.65 1p89 n ASP 69 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1p89 n ARG 70 N -0.04 -6.80 0.00 -1.24 1.74 -0.32 -4.55 116.66 105.45 1p89 n ARG 70 Ca 0.01 0.78 0.00 0.00 -0.77 0.00 0.00 57.85 57.87 1p89 n ARG 70 Cb 0.09 -5.66 0.00 0.00 -1.02 0.00 0.00 32.46 25.87 1p89 n ARG 70 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1p89 n THR 71 N -4.36 0.00 -3.56 0.55 -2.24 -1.26 -3.47 114.28 99.94 1p89 n THR 71 Ca -0.14 -0.40 -0.22 0.00 -2.27 0.00 0.00 64.05 61.02 1p89 n THR 71 Cb 0.61 1.15 -0.15 0.00 -2.10 0.00 0.00 70.33 69.84 1p89 n THR 71 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1p89 s ARG 72 N -0.22 0.12 0.15 -0.78 1.04 -1.24 0.18 118.95 118.21 1p89 s ARG 72 Ca 0.00 0.09 0.09 0.00 -1.04 0.00 0.00 55.73 54.86 1p89 s ARG 72 Cb 0.00 -1.45 -0.04 0.00 -2.04 0.00 0.00 34.95 31.42 1p89 s ARG 72 CO 0.00 -0.64 -0.12 0.00 -0.04 0.00 0.00 175.30 174.49 1p89 s GLU 74 N -2.56 1.82 -0.22 0.00 2.02 0.15 0.14 118.70 120.05 1p89 s GLU 74 Ca 0.22 -1.71 -0.11 0.00 0.02 0.00 0.00 54.97 53.40 1p89 s GLU 74 Cb -0.10 -3.22 -0.05 0.00 0.10 0.00 0.00 34.13 30.86 1p89 s GLU 74 CO 0.13 -0.87 0.18 0.42 0.02 0.00 0.00 175.26 175.14 1p89 s ILE 75 N 1.02 5.36 -0.63 -1.63 1.09 0.20 -1.66 121.20 124.94 1p89 s ILE 75 Ca 0.05 0.24 -0.27 0.00 -1.10 0.00 0.00 60.65 59.56 1p89 s ILE 75 Cb -0.20 -3.51 0.03 0.00 -1.06 0.00 0.00 42.46 37.72 1p89 s ILE 75 CO -0.06 0.36 1.19 -0.63 -0.10 0.00 0.00 174.94 175.70 1p89 s ILE 76 N 0.88 3.96 -0.29 2.92 1.09 0.31 0.42 121.20 130.49 1p89 s ILE 76 Ca 0.09 0.63 -0.40 0.00 -1.10 0.00 0.00 60.65 59.87 1p89 s ILE 76 Cb -0.13 -4.77 -0.15 0.00 -1.06 0.00 0.00 42.46 36.34 1p89 s ILE 76 CO 0.03 -1.50 1.80 0.61 -0.10 0.00 0.00 174.94 175.79 1p89 n GLY 77 N 5.18 0.81 0.17 6.18 0.00 -1.05 -4.33 105.19 112.15 1p89 n GLY 77 Ca 0.06 0.94 0.12 0.00 0.00 0.00 0.00 46.02 47.14 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 7.79 0.00 0.00 1.61 4.21 0.17 -3.30 115.58 126.07 1p89 h ASN 78 Ca -0.44 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.07 1p89 h ASN 78 Cb 1.32 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.52 1p89 h ASN 78 CO 0.97 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 177.72 1p89 n GLY 79 N -0.79 3.10 0.00 2.83 0.00 0.97 -4.90 105.19 106.41 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 5.44 3.85 -0.02 0.00 -1.21 -4.67 105.19 106.58 1p89 n GLY 80 Ca 0.00 -1.16 -0.29 0.00 0.00 0.00 0.00 46.02 44.57 1p89 n GLY 80 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1p89 s PRO 81 N 1.98 1.55 -0.90 1.61 0.02 -1.26 -3.49 135.00 134.51 1p89 s PRO 81 Ca 0.00 0.19 -0.25 0.00 0.02 0.00 0.00 61.00 60.97 1p89 s PRO 81 Cb 0.00 -1.90 -0.06 0.00 0.02 0.00 0.00 34.50 32.56 1p89 s PRO 81 CO 0.00 -1.90 2.01 -0.51 -0.33 0.00 0.00 177.00 176.27 1p89 s LEU 82 N -5.80 3.12 -0.28 -5.54 2.01 -1.25 -4.88 118.68 106.06 1p89 s LEU 82 Ca 0.63 -0.62 -0.26 0.00 0.01 0.00 0.00 54.13 53.89 1p89 s LEU 82 Cb -0.13 -2.56 0.00 0.00 0.01 0.00 0.00 46.19 43.52 1p89 s LEU 82 CO 0.51 -2.92 0.91 -1.00 1.01 0.00 0.00 176.35 174.86 1p89 s HIS 83 N 10.79 3.25 -0.21 0.29 3.76 -1.26 -4.40 115.29 127.51 1p89 s HIS 83 Ca 0.73 1.11 -0.04 0.00 -0.15 0.00 0.00 55.06 56.72 1p89 s HIS 83 Cb -0.07 -3.28 0.09 0.00 1.11 0.00 0.00 32.58 30.42 1p89 s HIS 83 CO 0.01 -0.55 0.18 0.00 -0.85 0.00 0.00 174.74 173.53 1p89 s ALA 84 N 3.12 0.02 -0.74 -1.40 0.00 -1.26 -4.78 121.76 116.72 1p89 s ALA 84 Ca 0.38 -0.13 -0.08 0.00 0.00 0.00 0.00 51.96 52.13 1p89 s ALA 84 Cb -0.14 -1.30 0.19 0.00 0.00 0.00 0.00 23.12 21.87 1p89 s ALA 84 CO 0.10 -1.31 0.62 -2.00 0.00 0.00 0.00 175.76 173.17 1p89 s GLU 85 N 2.25 3.09 0.00 0.00 2.12 -1.26 -1.10 118.70 123.80 1p89 s GLU 85 Ca 0.06 -2.58 0.00 0.00 0.36 0.00 0.00 54.97 52.81 1p89 s GLU 85 Cb -0.16 -4.06 0.00 0.00 0.26 0.00 0.00 34.13 30.18 1p89 s GLU 85 CO -0.17 -1.23 0.06 0.41 -0.54 0.00 0.00 175.26 173.80 1p89 n GLY 86 N 3.58 0.10 3.67 -1.50 0.00 -1.26 -4.94 105.19 104.84 1p89 n GLY 86 Ca 0.12 0.00 -0.22 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 -1.88 -2.41 4.61 0.00 -0.05 -4.92 120.51 115.86 1p89 n ALA 87 Ca -0.00 -0.07 -0.42 0.00 0.00 0.00 0.00 53.44 52.95 1p89 n ALA 87 Cb 0.07 -2.57 -0.03 0.00 0.00 0.00 0.00 19.45 16.92 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 -6.73 4.41 -0.16 0.00 2.96 0.93 -4.64 118.68 115.44 1p89 s LEU 88 Ca 0.12 1.91 -0.03 0.00 -0.22 0.00 0.00 54.13 55.92 1p89 s LEU 88 Cb -0.06 -3.58 -0.02 0.00 0.50 0.00 0.00 46.19 43.03 1p89 s LEU 88 CO 0.79 -0.33 -0.06 -0.70 -1.32 0.00 0.00 176.35 174.74 1p89 s GLU 89 N 0.66 3.56 0.21 1.98 2.12 -1.25 0.13 118.70 126.10 1p89 s GLU 89 Ca 0.54 -0.57 0.08 0.00 0.36 0.00 0.00 54.97 55.37 1p89 s GLU 89 Cb -0.27 -2.87 -0.04 0.00 0.26 0.00 0.00 34.13 31.22 1p89 s GLU 89 CO 0.30 0.16 0.03 -0.51 -0.54 0.00 0.00 175.26 174.70 1p89 s LEU 90 N 0.55 3.36 -0.30 2.70 1.43 0.48 -4.88 118.68 122.01 1p89 s LEU 90 Ca -0.04 -0.44 0.03 0.00 -1.03 0.00 0.00 54.13 52.64 1p89 s LEU 90 Cb -0.15 -1.95 0.08 0.00 0.03 0.00 0.00 46.19 44.20 1p89 s LEU 90 CO 0.03 0.05 -0.02 0.12 0.23 0.00 0.00 176.35 176.75 1p89 s PHE 91 N -1.96 3.51 -2.10 0.29 5.36 -1.24 0.32 117.98 122.14 1p89 s PHE 91 Ca 0.29 -2.62 0.16 0.00 -0.96 0.00 0.00 56.93 53.80 1p89 s PHE 91 Cb -0.08 -2.43 0.48 0.00 -0.34 0.00 0.00 43.02 40.64 1p89 s PHE 91 CO 0.20 -0.91 1.38 1.28 -1.46 0.00 0.00 175.22 175.71 1p89 n LEU 92 N 4.36 2.19 0.00 6.12 7.99 0.17 -4.86 117.00 132.97 1p89 n LEU 92 Ca -0.05 -1.04 0.00 0.00 -0.01 0.00 0.00 56.01 54.90 1p89 n LEU 92 Cb 0.42 -0.23 0.00 0.00 -0.11 0.00 0.00 43.42 43.50 1p89 n LEU 92 CO 0.22 0.52 0.00 0.61 -1.51 0.00 0.00 177.39 177.23 1p89 n GLY 93 N 1.19 1.22 2.33 -0.72 0.00 -1.25 -1.60 105.19 106.35 1p89 n GLY 93 Ca 0.15 -0.28 -0.25 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.92 6.59 0.00 1.61 5.15 -1.26 -2.59 115.26 122.84 1p89 n ASN 94 Ca 0.00 -3.23 0.00 0.00 -0.60 0.00 0.00 54.58 50.75 1p89 n ASN 94 Cb 0.00 -1.16 0.00 0.00 -0.53 0.00 0.00 39.78 38.09 1p89 n ASN 94 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1p89 n ALA 95 N 0.56 0.00 0.00 5.20 0.00 -0.63 -4.88 120.51 120.76 1p89 n ALA 95 Ca 0.45 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1p89 n ALA 95 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 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 2.30 2.80 0.01 0.00 0.00 -1.26 -4.71 105.19 104.32 1p89 n GLY 96 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1p89 n GLY 96 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1p89 n THR 97 N -1.97 0.03 0.00 2.61 -1.04 -1.26 -4.21 114.28 108.44 1p89 n THR 97 Ca 0.00 -0.08 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 1p89 n THR 97 Cb 0.00 0.60 0.00 0.00 -1.82 0.00 0.00 70.33 69.11 1p89 n THR 97 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1p89 n ALA 98 N -1.61 1.53 0.07 2.41 0.00 -1.26 -4.64 120.51 117.01 1p89 n ALA 98 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.35 1p89 n ALA 98 Cb 0.37 0.02 -0.09 0.00 0.00 0.00 0.00 19.45 19.75 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 -0.18 0.38 0.00 -1.53 -1.90 0.48 114.93 112.19 1p89 h MET 99 Ca 0.00 0.01 -0.01 0.00 -3.44 0.00 0.00 59.70 56.26 1p89 h MET 99 Cb 0.09 0.04 -0.01 0.00 -0.55 0.00 0.00 31.60 31.17 1p89 h MET 99 CO 0.00 0.15 -0.28 0.00 0.14 0.00 0.00 176.91 176.92 1p89 h ARG 100 N -0.52 -0.63 -0.25 0.39 -0.00 -1.84 0.15 114.38 111.67 1p89 h ARG 100 Ca -0.02 0.04 -0.02 0.00 -0.50 0.00 0.00 59.98 59.49 1p89 h ARG 100 Cb 0.41 0.14 -0.01 0.00 0.00 0.00 0.00 29.97 30.51 1p89 h ARG 100 CO 0.03 -0.42 0.09 -1.35 0.00 0.00 0.00 179.97 178.32 1p89 h PRO 101 N -0.66 0.38 -0.85 0.04 0.11 -1.62 -2.38 132.00 127.02 1p89 h PRO 101 Ca -0.03 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 65.99 1p89 h PRO 101 Cb 0.56 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 31.57 1p89 h PRO 101 CO 0.00 0.43 0.49 1.25 -0.21 0.00 0.00 178.00 179.96 1p89 h LEU 102 N 0.25 1.05 -0.20 2.35 7.12 -0.86 0.39 115.31 125.41 1p89 h LEU 102 Ca 0.08 -0.09 0.01 0.00 0.13 0.00 0.00 57.88 58.02 1p89 h LEU 102 Cb 0.20 -0.27 -0.02 0.00 -0.53 0.00 0.00 40.66 40.04 1p89 h LEU 102 CO -0.01 0.83 0.09 0.00 -0.13 0.00 0.00 178.44 179.22 1p89 h ALA 103 N 1.26 0.23 -0.50 1.25 0.00 -0.58 -2.57 119.26 118.35 1p89 h ALA 103 Ca 0.30 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.09 1p89 h ALA 103 Cb -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1p89 h ALA 103 CO -0.05 -0.33 -0.19 0.00 0.00 0.00 0.00 179.25 178.67 1p89 h ALA 104 N 1.11 0.69 -0.80 0.00 0.00 -0.99 -3.02 119.26 116.24 1p89 h ALA 104 Ca 0.08 -0.38 0.08 0.00 0.00 0.00 0.00 54.91 54.68 1p89 h ALA 104 Cb 0.03 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.58 1p89 h ALA 104 CO -0.06 0.67 0.47 0.00 0.00 0.00 0.00 179.25 180.33 1p89 h ALA 105 N 0.88 1.12 0.00 0.00 0.00 0.03 -0.29 119.26 121.00 1p89 h ALA 105 Ca 0.12 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1p89 h ALA 105 Cb 0.77 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1p89 h ALA 105 CO 0.06 0.15 -0.08 -0.07 0.00 0.00 0.00 179.25 179.32 1p89 h LEU 106 N 0.83 0.00 -0.49 0.00 3.38 -1.44 -3.00 115.31 114.60 1p89 h LEU 106 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1p89 h LEU 106 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1p89 h LEU 106 CO -0.21 0.08 0.05 0.00 0.09 0.00 0.00 178.44 178.45 1p89 s LEU 108 N -3.47 2.92 0.00 0.00 1.43 -1.13 0.14 118.68 118.57 1p89 s LEU 108 Ca -0.01 0.66 0.00 0.00 -1.03 0.00 0.00 54.13 53.75 1p89 s LEU 108 Cb 0.02 -3.36 0.00 0.00 0.03 0.00 0.00 46.19 42.88 1p89 s LEU 108 CO 0.07 -1.43 0.00 0.61 0.23 0.00 0.00 176.35 175.82 1p89 n GLY 109 N -2.87 1.62 3.05 -3.19 0.00 -1.26 -3.94 105.19 98.61 1p89 n GLY 109 Ca 0.07 0.44 0.04 0.00 0.00 0.00 0.00 46.02 46.56 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 -0.70 -0.00 1.61 1.04 -1.26 -0.41 113.70 109.98 1p89 s SER 110 Ca 0.00 -0.08 0.01 0.00 0.48 0.00 0.00 55.95 56.37 1p89 s SER 110 Cb 0.00 1.23 -0.00 0.00 0.10 0.00 0.00 66.02 67.35 1p89 s SER 110 CO 0.00 -0.11 -0.03 0.54 0.98 0.00 0.00 173.24 174.62 1p89 s ASN 111 N 2.55 0.42 -0.39 7.02 6.03 -1.23 -4.67 114.94 124.67 1p89 s ASN 111 Ca 0.20 -0.06 -0.15 0.00 -1.03 0.00 0.00 52.86 51.82 1p89 s ASN 111 Cb -0.02 -0.05 0.01 0.00 -3.03 0.00 0.00 41.25 38.16 1p89 s ASN 111 CO -0.20 0.04 0.30 -1.81 -2.03 0.00 0.00 177.10 173.40 1p89 s ASP 112 N -0.04 6.11 -0.01 3.54 1.11 -0.26 -1.78 116.67 125.33 1p89 s ASP 112 Ca 0.01 -0.77 -0.01 0.00 0.18 0.00 0.00 52.55 51.96 1p89 s ASP 112 Cb -0.02 -2.16 0.00 0.00 1.07 0.00 0.00 42.92 41.82 1p89 s ASP 112 CO -0.00 -0.41 0.04 -0.63 1.18 0.00 0.00 175.17 175.35 1p89 s ILE 113 N 1.72 -0.00 -0.28 0.77 1.09 -0.63 -0.05 121.20 123.82 1p89 s ILE 113 Ca 0.06 0.00 -0.04 0.00 -1.10 0.00 0.00 60.65 59.57 1p89 s ILE 113 Cb -0.18 -0.06 0.03 0.00 -1.06 0.00 0.00 42.46 41.18 1p89 s ILE 113 CO 0.10 0.00 0.02 -0.69 -0.10 0.00 0.00 174.94 174.27 1p89 s VAL 114 N 0.04 3.36 0.53 2.92 1.01 0.35 0.16 120.40 128.76 1p89 s VAL 114 Ca -0.00 -1.00 -0.15 0.00 0.00 0.00 0.00 61.98 60.83 1p89 s VAL 114 Cb -0.00 -2.78 -0.07 0.00 0.00 0.00 0.00 36.38 33.52 1p89 s VAL 114 CO -0.00 0.05 0.98 -0.76 0.00 0.00 0.00 175.10 175.37 1p89 s LEU 115 N 1.38 3.57 0.04 3.92 1.43 0.51 -0.39 118.68 129.13 1p89 s LEU 115 Ca -0.00 1.51 -0.27 0.00 -1.03 0.00 0.00 54.13 54.34 1p89 s LEU 115 Cb -0.18 -4.47 0.08 0.00 0.03 0.00 0.00 46.19 41.66 1p89 s LEU 115 CO -0.01 -0.62 0.73 -0.89 0.23 0.00 0.00 176.35 175.79 1p89 s THR 116 N -2.71 0.00 0.00 5.49 2.01 0.15 -2.58 115.64 118.00 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 -0.10 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.41 1p89 s THR 116 CO 0.35 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.89 1p89 n GLY 117 N 0.04 3.77 3.65 4.40 0.00 -1.26 0.42 105.19 116.21 1p89 n GLY 117 Ca -0.15 -1.30 -0.30 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.60 -0.94 0.54 1.61 2.02 -1.07 -4.69 118.70 115.57 1p89 s GLU 118 Ca 0.00 -0.12 0.25 0.00 0.02 0.00 0.00 54.97 55.12 1p89 s GLU 118 Cb 0.00 -1.63 1.54 0.00 0.10 0.00 0.00 34.13 34.14 1p89 s GLU 118 CO 0.00 -3.51 2.16 -1.35 0.02 0.00 0.00 175.26 172.57 1p89 h PRO 119 N -2.44 0.00 0.14 0.39 0.11 -2.00 -2.51 132.00 125.69 1p89 h PRO 119 Ca -0.45 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.32 1p89 h PRO 119 Cb 1.28 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 1p89 h PRO 119 CO 0.35 0.06 -1.80 -0.09 -0.21 0.00 0.00 178.00 176.30 1p89 h ARG 120 N 0.00 0.30 0.00 1.05 9.65 -1.93 -3.29 114.38 120.16 1p89 h ARG 120 Ca -0.00 -0.51 0.00 0.00 -1.10 0.00 0.00 59.98 58.37 1p89 h ARG 120 Cb 0.13 0.19 0.00 0.00 -1.39 0.00 0.00 29.97 28.90 1p89 h ARG 120 CO 0.01 1.19 0.02 1.98 2.80 0.00 0.00 179.97 185.97 1p89 h MET 121 N 0.08 0.00 0.00 0.20 4.05 -1.68 0.66 114.93 118.24 1p89 h MET 121 Ca -0.35 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.07 1p89 h MET 121 Cb 2.06 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.86 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 -2.94 0.34 -0.56 0.39 5.02 -0.99 -2.55 118.16 116.87 1p89 n LYS 122 Ca -0.03 0.09 0.06 0.00 -2.02 0.00 0.00 58.31 56.41 1p89 n LYS 122 Cb 0.08 -1.50 0.12 0.00 -0.02 0.00 0.00 35.03 33.71 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 -1.23 0.96 -3.34 1.97 0.28 0.22 -4.65 120.64 114.86 1p89 n GLU 123 Ca 0.10 -2.47 -0.46 0.00 -0.16 0.00 0.00 57.16 54.17 1p89 n GLU 123 Cb 0.13 -1.13 -0.02 0.00 1.43 0.00 0.00 31.44 31.86 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 -2.05 3.77 -0.12 3.44 1.81 -1.06 -5.03 118.95 119.71 1p89 s ARG 124 Ca 0.29 -2.68 -0.41 0.00 -1.72 0.00 0.00 55.73 51.21 1p89 s ARG 124 Cb 0.28 -4.46 -0.19 0.00 -0.45 0.00 0.00 34.95 30.14 1p89 s ARG 124 CO -0.04 -1.28 1.30 -0.35 -0.68 0.00 0.00 175.30 174.26 1p89 n PRO 125 N 3.60 0.33 -1.36 3.54 -0.04 -1.20 -4.47 135.00 135.39 1p89 n PRO 125 Ca 0.17 0.12 0.02 0.00 -0.04 0.00 0.00 63.50 63.77 1p89 n PRO 125 Cb 0.45 -1.66 0.09 0.00 -0.04 0.00 0.00 33.50 32.33 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 2.55 1.08 0.05 0.52 3.06 -1.05 -4.86 119.36 120.70 1p89 n ILE 126 Ca 0.23 -2.20 -0.12 0.00 -2.50 0.00 0.00 62.75 58.15 1p89 n ILE 126 Cb 0.07 0.45 -0.09 0.00 0.54 0.00 0.00 39.64 40.61 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 1.24 -0.18 1.12 4.50 0.00 -1.89 -0.29 103.07 107.57 1p89 h GLY 127 Ca -0.10 0.07 0.09 0.00 0.00 0.00 0.00 47.33 47.39 1p89 h GLY 127 CO 0.12 -0.06 0.35 0.45 0.00 0.00 0.00 176.54 177.40 1p89 h HIS 128 N -0.70 0.00 0.00 5.60 3.86 -1.95 0.74 115.15 122.70 1p89 h HIS 128 Ca -0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1p89 h HIS 128 Cb 0.52 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.99 1p89 h HIS 128 CO 0.08 0.00 -0.08 1.25 0.86 0.00 0.00 177.93 180.04 1p89 h LEU 129 N 0.00 0.00 -1.96 2.43 5.85 -1.87 -3.17 115.31 116.59 1p89 h LEU 129 Ca 0.15 0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.98 1p89 h LEU 129 Cb 0.85 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 1p89 h LEU 129 CO -0.00 0.23 0.44 0.58 -0.34 0.00 0.00 178.44 179.35 1p89 h VAL 130 N -0.38 0.33 -0.07 1.05 2.07 -0.78 -0.45 116.25 118.02 1p89 h VAL 130 Ca 0.00 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 1p89 h VAL 130 Cb 0.08 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1p89 h VAL 130 CO 0.00 0.00 -0.23 -0.78 0.02 0.00 0.00 177.57 176.58 1p89 h ASP 131 N 0.00 0.33 -0.22 0.57 1.82 0.36 -2.30 116.42 116.97 1p89 h ASP 131 Ca 0.18 -0.61 -0.03 0.00 -0.39 0.00 0.00 57.03 56.18 1p89 h ASP 131 Cb 1.06 -0.10 -0.01 0.00 0.68 0.00 0.00 39.33 40.96 1p89 h ASP 131 CO -0.00 0.89 0.04 0.00 -1.61 0.00 0.00 179.24 178.56 1p89 h ALA 132 N 0.45 0.30 -0.74 -0.78 0.00 -1.07 -1.67 119.26 115.75 1p89 h ALA 132 Ca -0.01 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1p89 h ALA 132 Cb 0.86 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 1p89 h ALA 132 CO 0.05 -0.03 0.45 -0.07 0.00 0.00 0.00 179.25 179.65 1p89 h LEU 133 N 0.17 0.89 -1.48 0.00 3.38 -1.50 -1.75 115.31 115.01 1p89 h LEU 133 Ca 0.07 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1p89 h LEU 133 Cb 0.31 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1p89 h LEU 133 CO 0.00 0.68 0.28 0.03 0.09 0.00 0.00 178.44 179.53 1p89 h ARG 134 N 1.01 0.63 -0.03 1.13 3.08 -1.24 -0.74 114.38 118.23 1p89 h ARG 134 Ca 0.27 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 60.18 1p89 h ARG 134 Cb -0.05 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.85 1p89 h ARG 134 CO -0.05 0.44 -0.42 -0.07 -1.07 0.00 0.00 179.97 178.81 1p89 h LEU 135 N 0.64 0.06 -0.61 3.04 3.38 -0.43 -2.44 115.31 118.96 1p89 h LEU 135 Ca 0.17 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1p89 h LEU 135 Cb -0.03 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1p89 h LEU 135 CO -0.03 0.47 0.00 1.23 0.09 0.00 0.00 178.44 180.20 1p89 h GLY 136 N 1.25 0.00 0.00 0.83 0.00 -0.69 -3.46 103.07 101.00 1p89 h GLY 136 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1p89 h GLY 136 CO 0.06 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.21 1p89 n GLY 137 N 0.61 0.30 3.77 4.60 0.00 -0.92 -0.40 105.19 113.16 1p89 n GLY 137 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.17 2.83 -0.64 4.61 0.00 -0.65 -3.37 121.76 123.37 1p89 s ALA 138 Ca 0.00 0.86 0.00 0.00 0.00 0.00 0.00 51.96 52.83 1p89 s ALA 138 Cb 0.00 -3.37 0.16 0.00 0.00 0.00 0.00 23.12 19.92 1p89 s ALA 138 CO 0.00 -0.70 0.44 0.15 0.00 0.00 0.00 175.76 175.65 1p89 s LYS 139 N -3.01 2.47 0.49 0.00 -0.14 -0.50 -4.44 119.74 114.61 1p89 s LYS 139 Ca 0.68 -2.78 0.05 0.00 -1.36 0.00 0.00 55.97 52.56 1p89 s LYS 139 Cb -0.26 -3.60 -0.01 0.00 -1.68 0.00 0.00 37.83 32.29 1p89 s LYS 139 CO 0.30 -1.18 0.20 0.42 -0.76 0.00 0.00 175.35 174.32 1p89 s ILE 140 N -0.52 1.74 0.00 2.17 1.01 -1.26 0.76 121.20 125.10 1p89 s ILE 140 Ca 0.20 -1.73 0.00 0.00 0.00 0.00 0.00 60.65 59.12 1p89 s ILE 140 Cb -0.18 -2.47 0.00 0.00 0.01 0.00 0.00 42.46 39.82 1p89 s ILE 140 CO -0.05 0.00 0.00 1.07 0.00 0.00 0.00 174.94 175.96 1p89 n THR 141 N -1.41 0.00 -3.73 2.92 5.66 -0.55 -4.90 114.28 112.26 1p89 n THR 141 Ca -0.07 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.65 1p89 n THR 141 Cb 0.65 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 69.27 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 -5.18 1.27 -0.72 1.09 2.02 -1.26 -3.61 117.35 110.96 1p89 s TYR 142 Ca 0.00 -1.20 0.26 0.00 -0.37 0.00 0.00 57.07 55.76 1p89 s TYR 142 Cb 0.00 -1.27 0.76 0.00 -0.40 0.00 0.00 41.96 41.05 1p89 s TYR 142 CO 0.00 -0.72 1.72 1.28 -1.57 0.00 0.00 175.55 176.26 1p89 n LEU 143 N 4.98 0.80 0.02 -1.29 7.99 -0.93 -4.68 117.00 123.88 1p89 n LEU 143 Ca -0.07 0.53 0.00 0.00 -0.01 0.00 0.00 56.01 56.47 1p89 n LEU 143 Cb 0.45 -0.30 0.00 0.00 -0.11 0.00 0.00 43.42 43.46 1p89 n LEU 143 CO 0.12 -0.16 0.00 1.21 -1.51 0.00 0.00 177.39 177.05 1p89 n GLU 144 N -2.24 0.00 -4.15 3.23 4.07 -1.26 -5.06 120.64 115.23 1p89 n GLU 144 Ca 0.05 0.00 -0.16 0.00 -0.06 0.00 0.00 57.16 56.99 1p89 n GLU 144 Cb 0.43 -0.02 -0.12 0.00 -0.06 0.00 0.00 31.44 31.67 1p89 n GLU 144 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 1p89 s GLN 145 N -1.17 0.75 0.15 5.31 -1.52 -1.26 -5.12 119.66 116.80 1p89 s GLN 145 Ca 0.00 -0.94 -0.31 0.00 -1.95 0.00 0.00 55.36 52.16 1p89 s GLN 145 Cb 0.00 -0.65 -0.08 0.00 -0.22 0.00 0.00 33.01 32.06 1p89 s GLN 145 CO 0.00 0.13 1.37 -1.21 -0.25 0.00 0.00 175.29 175.33 1p89 s GLU 146 N -1.87 4.34 -0.86 2.91 2.02 -1.26 -3.31 118.70 120.66 1p89 s GLU 146 Ca -0.03 2.08 -0.00 0.00 0.02 0.00 0.00 54.97 57.04 1p89 s GLU 146 Cb -0.09 -3.22 -0.00 0.00 0.10 0.00 0.00 34.13 30.92 1p89 s GLU 146 CO 0.01 -0.37 0.72 0.09 0.02 0.00 0.00 175.26 175.73 1p89 n ASN 147 N 3.38 -2.16 -2.98 -0.19 4.13 -1.26 -4.91 115.26 111.26 1p89 n ASN 147 Ca 0.09 -0.45 -0.16 0.00 1.68 0.00 0.00 54.58 55.74 1p89 n ASN 147 Cb 0.42 -3.85 -0.06 0.00 -1.54 0.00 0.00 39.78 34.76 1p89 n ASN 147 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1p89 n TYR 148 N -3.24 -0.96 -0.18 3.10 4.01 -1.21 -2.54 117.16 116.14 1p89 n TYR 148 Ca -0.20 -2.44 0.03 0.00 -0.16 0.00 0.00 57.90 55.13 1p89 n TYR 148 Cb 0.62 0.36 0.31 0.00 -0.31 0.00 0.00 39.34 40.32 1p89 n TYR 148 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1p89 h PRO 149 N 0.00 0.83 -5.55 -0.72 0.13 -1.82 -3.40 132.00 121.47 1p89 h PRO 149 Ca -0.23 -0.05 -0.23 0.00 -0.87 0.00 0.00 66.00 64.62 1p89 h PRO 149 Cb 1.10 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 32.04 1p89 h PRO 149 CO 0.32 0.55 0.72 -1.25 -0.23 0.00 0.00 178.00 178.12 1p89 s PRO 150 N -5.74 2.01 -0.08 1.56 0.04 -1.22 -3.33 135.00 128.25 1p89 s PRO 150 Ca -0.10 0.61 -0.00 0.00 0.04 0.00 0.00 61.00 61.55 1p89 s PRO 150 Cb 0.18 -4.74 0.02 0.00 0.04 0.00 0.00 34.50 30.01 1p89 s PRO 150 CO 0.77 -3.77 -0.05 -0.51 0.04 0.00 0.00 177.00 173.48 1p89 s LEU 151 N 12.67 1.08 -0.37 -3.56 1.43 -1.07 -2.19 118.68 126.68 1p89 s LEU 151 Ca 0.87 -0.19 -0.12 0.00 -1.03 0.00 0.00 54.13 53.66 1p89 s LEU 151 Cb -0.13 -0.62 0.02 0.00 0.03 0.00 0.00 46.19 45.49 1p89 s LEU 151 CO 0.13 -0.11 0.22 -0.60 0.23 0.00 0.00 176.35 176.22 1p89 s ARG 152 N 1.48 3.00 0.34 1.70 3.52 -1.24 0.19 118.95 127.95 1p89 s ARG 152 Ca -0.01 -0.97 -0.00 0.00 -0.13 0.00 0.00 55.73 54.62 1p89 s ARG 152 Cb -0.13 -3.76 -0.03 0.00 -1.56 0.00 0.00 34.95 29.46 1p89 s ARG 152 CO -0.04 -0.64 0.55 -0.51 -0.81 0.00 0.00 175.30 173.85 1p89 s LEU 153 N 1.60 4.01 0.00 -0.88 1.43 0.43 -1.48 118.68 123.80 1p89 s LEU 153 Ca 0.03 0.48 0.06 0.00 -1.03 0.00 0.00 54.13 53.68 1p89 s LEU 153 Cb -0.19 -3.34 0.10 0.00 0.03 0.00 0.00 46.19 42.79 1p89 s LEU 153 CO 0.08 -0.29 0.92 0.00 0.23 0.00 0.00 176.35 177.29 1p89 n GLN 154 N -1.69 0.00 0.00 1.70 6.02 0.23 -1.60 117.38 122.04 1p89 n GLN 154 Ca -0.04 -1.00 0.00 0.00 -0.01 0.00 0.00 57.00 55.94 1p89 n GLN 154 Cb 0.56 -0.14 0.00 0.00 1.02 0.00 0.00 30.24 31.68 1p89 n GLN 154 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1p89 n GLY 155 N 0.12 -0.02 0.00 1.08 0.00 -1.08 -3.58 105.19 101.71 1p89 n GLY 155 Ca -0.02 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 0.64 3.61 -0.02 0.00 0.46 -1.41 105.19 108.47 1p89 n GLY 156 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 1.47 -0.18 1.61 5.36 0.38 -3.85 117.98 120.77 1p89 s PHE 157 Ca 0.00 0.44 -0.07 0.00 -0.96 0.00 0.00 56.93 56.34 1p89 s PHE 157 Cb 0.00 -4.03 -0.09 0.00 -0.34 0.00 0.00 43.02 38.57 1p89 s PHE 157 CO 0.00 -3.83 -0.21 0.25 -1.46 0.00 0.00 175.22 169.97 1p89 n THR 158 N 7.22 0.99 -0.02 0.12 -2.24 -0.69 -4.38 114.28 115.28 1p89 n THR 158 Ca 0.25 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1p89 n THR 158 Cb 0.45 -1.59 0.00 0.00 -2.10 0.00 0.00 70.33 67.09 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 2.06 0.98 0.00 3.38 0.00 0.46 0.43 105.19 112.49 1p89 n GLY 159 Ca -0.34 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 43.79 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 2.24 3.68 -0.02 0.00 0.08 -4.23 105.19 106.95 1p89 n GLY 160 Ca 0.00 -2.13 -0.42 0.00 0.00 0.00 0.00 46.02 43.47 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 6.67 0.12 1.61 2.47 -1.26 -0.99 114.94 123.57 1p89 s ASN 161 Ca 0.00 2.34 0.05 0.00 0.42 0.00 0.00 52.86 55.66 1p89 s ASN 161 Cb 0.00 -2.55 -0.04 0.00 -1.45 0.00 0.00 41.25 37.21 1p89 s ASN 161 CO 0.00 -0.87 -0.11 -0.69 -3.72 0.00 0.00 177.10 171.71 1p89 s VAL 162 N 3.11 1.12 -0.21 -5.21 1.01 0.54 -4.88 120.40 115.87 1p89 s VAL 162 Ca 0.72 -1.83 0.02 0.00 0.00 0.00 0.00 61.98 60.89 1p89 s VAL 162 Cb -0.36 -1.59 0.04 0.00 0.00 0.00 0.00 36.38 34.46 1p89 s VAL 162 CO 0.30 -0.60 -0.15 -1.81 0.00 0.00 0.00 175.10 172.85 1p89 s ASP 163 N -2.74 3.66 0.05 3.32 1.11 -1.26 0.72 116.67 121.53 1p89 s ASP 163 Ca 0.11 -0.97 0.07 0.00 0.18 0.00 0.00 52.55 51.94 1p89 s ASP 163 Cb -0.01 -1.45 -0.03 0.00 1.07 0.00 0.00 42.92 42.50 1p89 s ASP 163 CO 0.01 -0.10 -0.19 0.54 1.18 0.00 0.00 175.17 176.61 1p89 s VAL 164 N 1.25 2.74 0.03 -1.27 0.11 0.98 -4.62 120.40 119.63 1p89 s VAL 164 Ca -0.01 -1.24 -0.27 0.00 -2.93 0.00 0.00 61.98 57.53 1p89 s VAL 164 Cb -0.16 -2.16 -0.05 0.00 -1.53 0.00 0.00 36.38 32.48 1p89 s VAL 164 CO -0.09 0.31 0.85 -0.62 -3.33 0.00 0.00 175.10 172.22 1p89 s ASP 165 N -1.50 7.28 0.01 3.54 2.15 -1.26 0.15 116.67 127.03 1p89 s ASP 165 Ca 0.15 1.53 -0.20 0.00 0.43 0.00 0.00 52.55 54.46 1p89 s ASP 165 Cb -0.10 -2.51 -0.21 0.00 -0.30 0.00 0.00 42.92 39.80 1p89 s ASP 165 CO 0.05 -0.08 1.15 1.23 -0.17 0.00 0.00 175.17 177.35 1p89 h GLY 166 N 6.06 0.44 -1.68 2.66 0.00 -1.70 -3.43 103.07 105.43 1p89 h GLY 166 Ca -0.43 -0.70 -0.49 0.00 0.00 0.00 0.00 47.33 45.72 1p89 h GLY 166 CO 0.73 0.62 -0.90 1.44 0.00 0.00 0.00 176.54 178.42 1p89 n SER 167 N -4.30 -2.31 -2.11 0.19 7.64 -0.56 -2.99 113.62 109.19 1p89 n SER 167 Ca -0.09 0.06 -0.07 0.00 1.01 0.00 0.00 58.87 59.78 1p89 n SER 167 Cb 0.60 -1.05 0.03 0.00 -1.01 0.00 0.00 64.21 62.78 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 -4.07 -3.41 -1.45 0.44 0.31 -1.26 -4.82 118.33 104.06 1p89 n VAL 168 Ca 0.03 -0.38 0.17 0.00 -0.01 0.00 0.00 64.34 64.15 1p89 n VAL 168 Cb 0.59 -3.99 -0.10 0.00 -0.91 0.00 0.00 33.84 29.44 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 -2.04 -7.78 -0.02 4.52 7.64 -1.26 -4.42 113.62 110.25 1p89 n SER 169 Ca -0.07 1.46 0.16 0.00 1.01 0.00 0.00 58.87 61.42 1p89 n SER 169 Cb 0.56 -5.01 0.87 0.00 -1.01 0.00 0.00 64.21 59.63 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 -4.37 0.07 0.23 6.43 2.88 -1.26 -3.85 113.62 113.75 1p89 n SER 170 Ca -0.10 -0.78 0.16 0.00 -1.33 0.00 0.00 58.87 56.82 1p89 n SER 170 Cb 0.68 -0.07 0.70 0.00 -0.75 0.00 0.00 64.21 64.77 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 0.11 0.00 0.04 -1.46 7.50 -1.87 0.69 115.11 120.11 1p89 h GLN 171 Ca 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.15 1p89 h GLN 171 Cb 0.10 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.64 1p89 h GLN 171 CO 0.00 0.00 -0.02 0.74 -1.50 0.00 0.00 178.83 178.05 1p89 h PHE 172 N 0.00 -0.05 -0.16 2.96 -1.00 -1.81 -3.03 116.94 113.87 1p89 h PHE 172 Ca 0.09 -0.00 -0.20 0.00 2.81 0.00 0.00 57.97 60.67 1p89 h PHE 172 Cb 1.04 0.02 0.01 0.00 3.61 0.00 0.00 35.95 40.62 1p89 h PHE 172 CO 0.00 0.44 -0.67 1.25 -1.61 0.00 0.00 178.31 177.71 1p89 h LEU 173 N -0.98 0.86 -1.73 1.54 5.85 -1.50 -2.89 115.31 116.47 1p89 h LEU 173 Ca -0.01 -0.62 0.04 0.00 0.84 0.00 0.00 57.88 58.13 1p89 h LEU 173 Cb 0.51 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 1p89 h LEU 173 CO 0.01 1.34 0.25 0.00 -0.34 0.00 0.00 178.44 179.70 1p89 h THR 174 N 0.44 1.00 0.17 1.05 1.03 0.17 1.01 112.91 117.78 1p89 h THR 174 Ca -0.04 -0.12 -0.01 0.00 -0.01 0.00 0.00 66.41 66.23 1p89 h THR 174 Cb 1.31 0.62 0.00 0.00 -1.07 0.00 0.00 68.15 69.01 1p89 h THR 174 CO 0.14 0.06 -0.08 0.00 -0.01 0.00 0.00 175.52 175.63 1p89 h ALA 175 N 1.79 -0.23 -0.18 0.00 0.00 -1.42 0.50 119.26 119.72 1p89 h ALA 175 Ca 0.16 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 1p89 h ALA 175 Cb 0.19 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1p89 h ALA 175 CO -0.03 -0.51 -0.55 -0.07 0.00 0.00 0.00 179.25 178.08 1p89 h LEU 176 N -0.48 0.60 -1.39 0.00 3.38 -1.19 0.32 115.31 116.54 1p89 h LEU 176 Ca -0.02 -0.32 -0.06 0.00 0.09 0.00 0.00 57.88 57.56 1p89 h LEU 176 Cb 0.37 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1p89 h LEU 176 CO 0.04 1.03 -0.30 -0.07 0.09 0.00 0.00 178.44 179.23 1p89 h LEU 177 N 0.42 0.00 0.00 1.67 3.38 0.11 1.59 115.31 122.47 1p89 h LEU 177 Ca 0.01 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 1p89 h LEU 177 Cb 1.10 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.80 1p89 h LEU 177 CO 0.10 0.30 -1.83 0.23 0.09 0.00 0.00 178.44 177.34 1p89 n MET 178 N -4.15 0.65 -0.06 1.13 2.81 0.16 -4.04 117.12 113.62 1p89 n MET 178 Ca -0.02 0.13 -0.21 0.00 -1.81 0.00 0.00 57.70 55.79 1p89 n MET 178 Cb 0.35 -1.69 -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 0.97 -0.58 2.03 2.02 -0.13 -3.40 112.91 113.82 1p89 h THR 179 Ca -0.29 -2.27 -0.03 0.00 0.77 0.00 0.00 66.41 64.59 1p89 h THR 179 Cb 1.83 2.49 -0.03 0.00 -1.74 0.00 0.00 68.15 70.70 1p89 h THR 179 CO 0.05 0.53 0.25 0.00 0.37 0.00 0.00 175.52 176.71 1p89 h ALA 180 N -0.25 1.34 -0.90 6.16 0.00 0.21 -2.78 119.26 123.04 1p89 h ALA 180 Ca -0.32 -0.14 0.13 0.00 0.00 0.00 0.00 54.91 54.58 1p89 h ALA 180 Cb 1.51 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.99 1p89 h ALA 180 CO -0.08 0.50 0.58 -1.00 0.00 0.00 0.00 179.25 179.25 1p89 h PRO 181 N 0.83 0.74 -0.00 0.00 0.13 -1.70 0.26 132.00 132.25 1p89 h PRO 181 Ca 0.20 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1p89 h PRO 181 Cb 0.14 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 31.10 1p89 h PRO 181 CO -0.02 0.49 -0.11 1.28 -0.23 0.00 0.00 178.00 179.41 1p89 n LEU 182 N -4.57 0.35 -4.69 1.56 4.32 -1.06 0.14 117.00 113.06 1p89 n LEU 182 Ca 0.17 0.10 -0.42 0.00 -0.02 0.00 0.00 56.01 55.84 1p89 n LEU 182 Cb 0.43 -0.23 -0.03 0.00 -1.62 0.00 0.00 43.42 41.96 1p89 n LEU 182 CO 0.29 0.07 1.22 0.00 -1.22 0.00 0.00 177.39 177.75 1p89 s ALA 183 N -2.57 3.63 0.55 -1.18 0.00 0.92 -4.25 121.76 118.85 1p89 s ALA 183 Ca 0.26 1.01 0.44 0.00 0.00 0.00 0.00 51.96 53.67 1p89 s ALA 183 Cb 0.20 -3.65 1.65 0.00 0.00 0.00 0.00 23.12 21.32 1p89 s ALA 183 CO 0.49 -1.03 1.67 -1.00 0.00 0.00 0.00 175.76 175.90 1p89 h PRO 184 N 8.16 0.00 -6.28 0.00 0.13 -1.76 0.88 132.00 133.14 1p89 h PRO 184 Ca -0.40 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.11 1p89 h PRO 184 Cb 1.19 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.21 1p89 h PRO 184 CO 0.92 0.00 -0.63 -1.21 -0.23 0.00 0.00 178.00 176.85 1p89 s GLU 185 N -4.89 2.67 -0.07 0.86 8.01 0.17 -3.90 118.70 121.54 1p89 s GLU 185 Ca -0.05 -0.85 -0.29 0.00 0.01 0.00 0.00 54.97 53.79 1p89 s GLU 185 Cb 0.25 -2.58 -0.06 0.00 -4.31 0.00 0.00 34.13 27.43 1p89 s GLU 185 CO 0.85 0.52 1.81 0.34 0.01 0.00 0.00 175.26 178.79 1p89 s ASP 186 N -2.56 6.42 -0.16 -0.19 -1.08 -1.26 -3.82 116.67 114.02 1p89 s ASP 186 Ca 0.28 2.23 -0.07 0.00 -0.52 0.00 0.00 52.55 54.46 1p89 s ASP 186 Cb -0.11 -2.53 -0.04 0.00 -1.46 0.00 0.00 42.92 38.78 1p89 s ASP 186 CO 0.20 -1.14 0.09 -0.89 0.52 0.00 0.00 175.17 173.95 1p89 s THR 187 N 4.84 5.07 -0.34 1.71 2.01 -0.56 -0.74 115.64 127.63 1p89 s THR 187 Ca 0.81 0.06 0.02 0.00 0.31 0.00 0.00 61.69 62.88 1p89 s THR 187 Cb -0.35 -3.25 0.10 0.00 0.01 0.00 0.00 72.50 69.01 1p89 s THR 187 CO 0.34 0.52 0.09 -0.69 -0.69 0.00 0.00 174.62 174.18 1p89 s VAL 188 N -0.16 1.60 0.14 3.82 1.01 -0.16 0.66 120.40 127.31 1p89 s VAL 188 Ca 0.09 -1.95 -0.12 0.00 0.00 0.00 0.00 61.98 59.99 1p89 s VAL 188 Cb -0.12 -2.19 -0.07 0.00 0.00 0.00 0.00 36.38 34.01 1p89 s VAL 188 CO 0.01 -0.66 0.50 -0.63 0.00 0.00 0.00 175.10 174.32 1p89 s ILE 189 N 1.16 4.95 0.42 2.22 1.01 -0.63 0.20 121.20 130.54 1p89 s ILE 189 Ca 0.11 0.63 0.06 0.00 0.00 0.00 0.00 60.65 61.46 1p89 s ILE 189 Cb -0.19 -3.69 -0.06 0.00 0.01 0.00 0.00 42.46 38.53 1p89 s ILE 189 CO -0.15 0.20 0.06 0.00 0.00 0.00 0.00 174.94 175.05 1p89 s ARG 190 N -2.10 2.06 -0.46 2.79 1.70 0.22 0.34 118.95 123.50 1p89 s ARG 190 Ca 0.38 -2.07 -0.04 0.00 -0.47 0.00 0.00 55.73 53.53 1p89 s ARG 190 Cb -0.14 -1.73 0.12 0.00 -0.57 0.00 0.00 34.95 32.63 1p89 s ARG 190 CO 0.19 -0.11 0.28 0.42 -1.08 0.00 0.00 175.30 175.00 1p89 s ILE 191 N -2.70 3.56 0.00 4.99 -1.09 1.12 -0.01 121.20 127.07 1p89 s ILE 191 Ca 0.34 -2.18 0.00 0.00 -2.23 0.00 0.00 60.65 56.58 1p89 s ILE 191 Cb 0.07 -3.40 0.00 0.00 -1.58 0.00 0.00 42.46 37.56 1p89 s ILE 191 CO 0.18 -0.75 0.45 0.29 -1.23 0.00 0.00 174.94 173.88 1p89 n LYS 192 N 4.45 0.00 -1.97 2.79 5.02 0.12 -4.83 118.16 123.74 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 0.41 -0.95 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 -0.01 1.62 0.11 0.72 0.00 -1.26 -4.88 107.32 103.61 1p89 s GLY 193 Ca 0.00 -0.53 -0.33 0.00 0.00 0.00 0.00 44.72 43.87 1p89 s GLY 193 CO 0.00 -0.12 1.76 2.09 0.00 0.00 0.00 173.10 176.82 1p89 n ASP 194 N -3.06 3.65 -4.75 1.64 5.75 -1.26 -2.73 116.55 115.80 1p89 n ASP 194 Ca 0.07 1.02 -0.38 0.00 -0.01 0.00 0.00 54.79 55.49 1p89 n ASP 194 Cb 0.59 -1.48 0.04 0.00 -1.03 0.00 0.00 41.12 39.23 1p89 n ASP 194 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1p89 s LEU 195 N 2.24 3.82 -0.03 -2.12 2.96 -1.26 -1.50 118.68 122.79 1p89 s LEU 195 Ca 0.82 2.64 0.17 0.00 -0.22 0.00 0.00 54.13 57.54 1p89 s LEU 195 Cb -0.58 -4.35 -0.26 0.00 0.50 0.00 0.00 46.19 41.50 1p89 s LEU 195 CO 0.39 -1.53 0.36 0.55 -1.32 0.00 0.00 176.35 174.80 1p89 n VAL 196 N -1.11 0.06 -2.46 1.68 3.14 -1.16 -4.52 118.33 113.95 1p89 n VAL 196 Ca 0.11 -0.41 -0.17 0.00 -2.96 0.00 0.00 64.34 60.91 1p89 n VAL 196 Cb 0.46 0.07 0.02 0.00 -1.06 0.00 0.00 33.84 33.33 1p89 n VAL 196 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1p89 n SER 197 N -2.13 3.44 -0.21 6.55 7.64 -1.26 -4.92 113.62 122.73 1p89 n SER 197 Ca -0.04 -3.18 -0.07 0.00 1.01 0.00 0.00 58.87 56.59 1p89 n SER 197 Cb 0.48 -0.45 -0.06 0.00 -1.01 0.00 0.00 64.21 63.17 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 2.57 -0.07 0.00 1.43 3.64 -1.96 0.54 116.57 122.72 1p89 h LYS 198 Ca 0.15 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1p89 h LYS 198 Cb 1.22 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1p89 h LYS 198 CO 0.62 -0.05 0.00 -1.00 -2.27 0.00 0.00 179.45 176.75 1p89 h PRO 199 N -0.07 0.00 0.00 1.90 0.13 -1.98 -1.97 132.00 130.00 1p89 h PRO 199 Ca 0.08 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.09 1p89 h PRO 199 Cb 0.28 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.40 1p89 h PRO 199 CO -0.51 0.00 -0.57 1.88 -0.23 0.00 0.00 178.00 178.57 1p89 h TYR 200 N 0.00 0.00 -0.06 1.56 -1.99 -0.55 -3.17 116.97 112.76 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 0.36 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.09 1p89 h TYR 200 CO 0.00 0.57 -0.69 0.97 -0.00 0.00 0.00 178.16 179.01 1p89 h ILE 201 N 0.00 1.40 -0.45 -2.88 6.09 0.50 -2.92 117.51 119.25 1p89 h ILE 201 Ca -0.01 -2.13 -0.02 0.00 -1.37 0.00 0.00 64.86 61.33 1p89 h ILE 201 Cb 1.28 2.10 -0.02 0.00 0.47 0.00 0.00 36.82 40.65 1p89 h ILE 201 CO 0.07 0.63 0.19 -0.78 -3.07 0.00 0.00 178.15 175.19 1p89 h ASP 202 N 0.21 0.57 0.38 2.19 3.58 -1.55 0.09 116.42 121.88 1p89 h ASP 202 Ca -0.02 -0.06 -0.06 0.00 0.42 0.00 0.00 57.03 57.31 1p89 h ASP 202 Cb 1.23 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 42.13 1p89 h ASP 202 CO 0.11 0.51 -0.29 0.40 -2.88 0.00 0.00 179.24 177.09 1p89 h ILE 203 N 0.63 1.08 0.49 2.25 2.04 -1.56 0.21 117.51 122.64 1p89 h ILE 203 Ca 0.15 -1.04 -0.02 0.00 1.00 0.00 0.00 64.86 64.95 1p89 h ILE 203 Cb 0.11 1.58 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 1p89 h ILE 203 CO -0.02 0.28 -0.23 0.74 0.00 0.00 0.00 178.15 178.92 1p89 h THR 204 N 0.00 0.51 -0.16 -0.27 2.02 -0.88 0.23 112.91 114.36 1p89 h THR 204 Ca -0.00 -0.12 -0.13 0.00 0.77 0.00 0.00 66.41 66.93 1p89 h THR 204 Cb 0.56 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 1p89 h THR 204 CO 0.04 0.02 -0.47 -0.07 0.37 0.00 0.00 175.52 175.41 1p89 h LEU 205 N -0.73 0.43 -1.86 2.58 3.38 -1.35 -0.25 115.31 117.52 1p89 h LEU 205 Ca -0.07 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 1p89 h LEU 205 Cb 0.54 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 1p89 h LEU 205 CO 0.11 0.84 -0.13 -1.13 0.09 0.00 0.00 178.44 178.21 1p89 h ASN 206 N 0.32 0.00 0.20 -0.43 -1.24 -0.38 0.88 115.58 114.94 1p89 h ASN 206 Ca 0.02 0.00 -0.34 0.00 0.71 0.00 0.00 56.30 56.69 1p89 h ASN 206 Cb 0.94 0.00 0.02 0.00 0.73 0.00 0.00 38.32 40.01 1p89 h ASN 206 CO 0.08 0.13 -1.65 0.25 -1.29 0.00 0.00 177.43 174.96 1p89 h LEU 207 N 0.00 0.67 -0.46 0.34 7.12 -0.02 -3.07 115.31 119.88 1p89 h LEU 207 Ca -0.00 -0.93 -0.15 0.00 0.13 0.00 0.00 57.88 56.93 1p89 h LEU 207 Cb 0.34 -0.22 -0.01 0.00 -0.53 0.00 0.00 40.66 40.25 1p89 h LEU 207 CO 0.02 1.76 -0.34 0.24 -0.13 0.00 0.00 178.44 179.99 1p89 h MET 208 N 0.08 0.91 -0.35 1.25 2.86 -0.40 -3.00 114.93 116.29 1p89 h MET 208 Ca -0.32 -0.45 -0.05 0.00 -2.06 0.00 0.00 59.70 56.82 1p89 h MET 208 Cb 2.09 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.74 1p89 h MET 208 CO 0.20 1.10 0.02 1.57 1.06 0.00 0.00 176.91 180.86 1p89 h LYS 209 N 0.76 0.61 -0.09 1.72 5.09 0.21 -1.53 116.57 123.34 1p89 h LYS 209 Ca 0.07 -0.19 0.03 0.00 0.09 0.00 0.00 60.65 60.65 1p89 h LYS 209 Cb 0.91 -0.06 -0.00 0.00 0.10 0.00 0.00 32.23 33.18 1p89 h LYS 209 CO 0.08 0.71 0.07 0.00 -2.09 0.00 0.00 179.45 178.23 1p89 h THR 210 N 0.43 0.85 0.06 0.07 1.03 -1.54 -2.23 112.91 111.59 1p89 h THR 210 Ca 0.10 0.00 -0.00 0.00 -0.01 0.00 0.00 66.41 66.50 1p89 h THR 210 Cb 0.43 0.95 0.00 0.00 -1.07 0.00 0.00 68.15 68.46 1p89 h THR 210 CO 0.01 0.00 -0.03 -0.26 -0.01 0.00 0.00 175.52 175.23 1p89 h PHE 211 N 0.00 -0.08 0.00 0.00 -1.00 -1.28 -3.43 116.94 111.16 1p89 h PHE 211 Ca 0.04 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.82 1p89 h PHE 211 Cb 0.18 0.03 0.00 0.00 3.61 0.00 0.00 35.95 39.76 1p89 h PHE 211 CO 0.00 0.44 0.00 0.41 -1.61 0.00 0.00 178.31 177.55 1p89 n GLY 212 N 0.42 -0.02 3.32 -1.45 0.00 -0.66 -2.57 105.19 104.23 1p89 n GLY 212 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 1p89 n GLY 212 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p89 s VAL 213 N 0.00 2.25 0.08 1.61 1.01 -0.70 -4.78 120.40 119.87 1p89 s VAL 213 Ca 0.00 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 60.99 1p89 s VAL 213 Cb 0.00 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 1p89 s VAL 213 CO 0.00 0.57 -0.08 -1.61 0.00 0.00 0.00 175.10 173.99 1p89 s GLU 214 N -0.37 0.76 0.36 2.72 2.02 -1.26 -1.35 118.70 121.58 1p89 s GLU 214 Ca 0.03 -1.14 0.04 0.00 0.02 0.00 0.00 54.97 53.92 1p89 s GLU 214 Cb -0.12 -0.32 -0.03 0.00 0.10 0.00 0.00 34.13 33.75 1p89 s GLU 214 CO 0.02 0.03 0.14 0.96 0.02 0.00 0.00 175.26 176.43 1p89 s ILE 215 N -2.72 0.53 -0.20 -1.63 -5.25 -1.26 -4.43 121.20 106.24 1p89 s ILE 215 Ca 0.04 -2.00 -0.22 0.00 -0.99 0.00 0.00 60.65 57.49 1p89 s ILE 215 Cb -0.01 -2.46 -0.02 0.00 2.95 0.00 0.00 42.46 42.92 1p89 s ILE 215 CO -0.02 0.00 0.68 -0.70 -1.79 0.00 0.00 174.94 173.11 1p89 s GLU 216 N -3.75 4.22 -0.49 0.37 2.12 0.45 -4.97 118.70 116.64 1p89 s GLU 216 Ca 0.30 0.71 -0.12 0.00 0.36 0.00 0.00 54.97 56.22 1p89 s GLU 216 Cb 0.04 -3.59 0.12 0.00 0.26 0.00 0.00 34.13 30.96 1p89 s GLU 216 CO 0.17 -0.29 0.40 1.21 -0.54 0.00 0.00 175.26 176.21 1p89 s ASN 217 N 1.23 5.92 0.19 -1.70 3.04 -1.26 -1.30 114.94 121.05 1p89 s ASN 217 Ca 0.31 -1.78 0.00 0.00 0.04 0.00 0.00 52.86 51.43 1p89 s ASN 217 Cb -0.16 -2.10 0.00 0.00 -1.54 0.00 0.00 41.25 37.45 1p89 s ASN 217 CO 0.10 -0.74 0.00 1.67 -3.04 0.00 0.00 177.10 175.09 1p89 n GLN 218 N 5.07 0.68 -0.58 0.43 0.00 -1.09 -4.79 117.38 117.10 1p89 n GLN 218 Ca -0.11 0.00 -0.05 0.00 -0.00 0.00 0.00 57.00 56.84 1p89 n GLN 218 Cb 0.41 0.00 -0.08 0.00 0.00 0.00 0.00 30.24 30.57 1p89 n GLN 218 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1p89 n HIS 219 N -0.73 0.00 -1.76 3.69 8.25 -1.26 -4.54 115.22 118.87 1p89 n HIS 219 Ca 0.00 -0.94 -0.19 0.00 -0.26 0.00 0.00 57.72 56.33 1p89 n HIS 219 Cb 0.00 -0.95 -0.07 0.00 1.12 0.00 0.00 29.99 30.09 1p89 n HIS 219 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1p89 n TYR 220 N 2.27 -0.31 -0.07 4.41 4.01 -1.26 -4.78 117.16 121.42 1p89 n TYR 220 Ca 0.19 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.85 1p89 n TYR 220 Cb 0.55 -3.41 -0.07 0.00 -0.31 0.00 0.00 39.34 36.09 1p89 n TYR 220 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1p89 n GLN 221 N -2.45 0.83 -4.14 -0.72 6.02 -1.26 -4.79 117.38 110.88 1p89 n GLN 221 Ca -0.20 0.06 -0.16 0.00 -0.01 0.00 0.00 57.00 56.69 1p89 n GLN 221 Cb 0.65 -1.29 -0.15 0.00 1.02 0.00 0.00 30.24 30.47 1p89 n GLN 221 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 1p89 s GLN 222 N -2.28 0.42 -0.56 -1.09 -2.07 -1.26 0.36 119.66 113.18 1p89 s GLN 222 Ca -0.16 -0.17 -0.07 0.00 -1.82 0.00 0.00 55.36 53.15 1p89 s GLN 222 Cb 0.05 -0.42 0.14 0.00 -1.09 0.00 0.00 33.01 31.69 1p89 s GLN 222 CO 0.36 0.09 0.41 -0.06 -1.32 0.00 0.00 175.29 174.77 1p89 s PHE 223 N -0.03 3.49 -0.40 9.60 0.40 1.03 -2.66 117.98 129.42 1p89 s PHE 223 Ca 0.01 -2.27 -0.24 0.00 -0.60 0.00 0.00 56.93 53.83 1p89 s PHE 223 Cb -0.03 -3.39 0.02 0.00 0.51 0.00 0.00 43.02 40.12 1p89 s PHE 223 CO -0.00 -0.94 0.85 0.08 0.70 0.00 0.00 175.22 175.91 1p89 s VAL 224 N 0.69 4.63 -0.33 -0.44 1.01 -0.42 -1.60 120.40 123.94 1p89 s VAL 224 Ca 0.11 0.89 -0.12 0.00 0.00 0.00 0.00 61.98 62.86 1p89 s VAL 224 Cb -0.22 -4.30 -0.02 0.00 0.00 0.00 0.00 36.38 31.84 1p89 s VAL 224 CO -0.03 -0.58 0.21 0.68 0.00 0.00 0.00 175.10 175.38 1p89 s VAL 225 N 3.36 5.11 -0.51 2.92 -7.23 0.21 0.17 120.40 124.44 1p89 s VAL 225 Ca 0.34 -0.24 -0.27 0.00 -1.81 0.00 0.00 61.98 60.01 1p89 s VAL 225 Cb -0.12 -3.61 -0.05 0.00 0.56 0.00 0.00 36.38 33.17 1p89 s VAL 225 CO 0.20 0.03 2.14 -0.54 -0.31 0.00 0.00 175.10 176.62 1p89 s LYS 226 N 1.70 2.46 0.82 4.82 3.01 -1.26 -1.50 119.74 129.79 1p89 s LYS 226 Ca 0.06 1.15 -0.14 0.00 -1.01 0.00 0.00 55.97 56.02 1p89 s LYS 226 Cb -0.17 -4.47 0.01 0.00 -1.01 0.00 0.00 37.83 32.20 1p89 s LYS 226 CO 0.09 -2.89 0.63 0.41 0.51 0.00 0.00 175.35 174.11 1p89 n GLY 227 N 5.83 -1.38 1.17 -3.33 0.00 -1.25 -3.58 105.19 102.66 1p89 n GLY 227 Ca 0.29 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1p89 n GLY 227 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p89 n GLY 228 N 1.36 0.70 3.65 -0.02 0.00 0.31 -4.68 105.19 106.50 1p89 n GLY 228 Ca 0.10 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.59 -2.03 -3.15 1.61 1.13 0.38 -4.94 117.38 107.80 1p89 n GLN 229 Ca 0.00 -1.90 0.05 0.00 -1.94 0.00 0.00 57.00 53.21 1p89 n GLN 229 Cb 0.00 -1.45 -0.01 0.00 0.11 0.00 0.00 30.24 28.89 1p89 n GLN 229 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 1p89 s SER 230 N -5.22 -0.70 0.58 1.08 0.01 -1.26 -4.28 113.70 103.91 1p89 s SER 230 Ca 0.72 0.28 -0.19 0.00 1.31 0.00 0.00 55.95 58.07 1p89 s SER 230 Cb -0.04 1.52 -0.06 0.00 0.21 0.00 0.00 66.02 67.65 1p89 s SER 230 CO 0.53 -0.13 0.88 -1.22 0.41 0.00 0.00 173.24 173.70 1p89 n TYR 231 N 5.36 0.54 -4.31 2.43 4.01 -1.24 -4.60 117.16 119.35 1p89 n TYR 231 Ca -0.00 0.45 -0.24 0.00 -0.16 0.00 0.00 57.90 57.95 1p89 n TYR 231 Cb 0.55 -2.11 -0.08 0.00 -0.31 0.00 0.00 39.34 37.39 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 -2.55 2.13 -0.75 -0.72 -0.21 -1.06 -0.11 119.66 116.39 1p89 s GLN 232 Ca 0.73 -1.66 -0.25 0.00 0.02 0.00 0.00 55.36 54.20 1p89 s GLN 232 Cb -0.44 -2.00 0.05 0.00 1.00 0.00 0.00 33.01 31.62 1p89 s GLN 232 CO 0.49 0.19 1.20 0.45 -2.12 0.00 0.00 175.29 175.51 1p89 s SER 233 N -3.71 6.21 0.36 5.90 0.15 -1.12 -4.48 113.70 117.01 1p89 s SER 233 Ca 0.34 -0.74 0.10 0.00 0.70 0.00 0.00 55.95 56.36 1p89 s SER 233 Cb -0.02 -2.52 0.69 0.00 -1.71 0.00 0.00 66.02 62.47 1p89 s SER 233 CO 0.20 -1.68 1.83 1.55 1.20 0.00 0.00 173.24 176.34 1p89 h PRO 234 N 9.84 0.14 0.00 5.44 0.13 -1.83 -3.49 132.00 142.23 1p89 h PRO 234 Ca -0.23 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1p89 h PRO 234 Cb 1.05 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1p89 h PRO 234 CO 1.26 0.42 0.00 0.41 -0.23 0.00 0.00 178.00 179.86 1p89 n GLY 235 N -0.57 0.26 3.56 1.56 0.00 -1.26 -4.95 105.19 103.80 1p89 n GLY 235 Ca -0.01 -1.28 -0.41 0.00 0.00 0.00 0.00 46.02 44.32 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 5.05 0.05 2.61 2.01 -1.26 0.10 115.64 124.20 1p89 s THR 236 Ca 0.00 0.37 0.05 0.00 0.31 0.00 0.00 61.69 62.42 1p89 s THR 236 Cb 0.00 -3.91 -0.02 0.00 0.01 0.00 0.00 72.50 68.58 1p89 s THR 236 CO 0.00 -0.14 -0.14 -0.47 -0.69 0.00 0.00 174.62 173.18 1p89 s TYR 237 N 2.31 1.23 -0.30 4.92 5.04 0.13 -4.93 117.35 125.75 1p89 s TYR 237 Ca 0.18 -0.38 -0.16 0.00 -2.44 0.00 0.00 57.07 54.27 1p89 s TYR 237 Cb -0.16 -0.72 -0.02 0.00 0.35 0.00 0.00 41.96 41.41 1p89 s TYR 237 CO 0.12 0.04 0.42 -1.17 -1.34 0.00 0.00 175.55 173.62 1p89 s LEU 238 N -1.30 4.20 0.00 6.97 2.96 -1.26 -0.49 118.68 129.76 1p89 s LEU 238 Ca 0.01 0.12 0.00 0.00 -0.22 0.00 0.00 54.13 54.03 1p89 s LEU 238 Cb -0.08 -2.47 0.00 0.00 0.50 0.00 0.00 46.19 44.14 1p89 s LEU 238 CO 0.02 -0.30 0.65 0.52 -1.32 0.00 0.00 176.35 175.91 1p89 n VAL 239 N 5.22 0.00 -0.58 1.68 0.31 0.15 -4.83 118.33 120.29 1p89 n VAL 239 Ca -0.07 1.11 0.00 0.00 -0.01 0.00 0.00 64.34 65.37 1p89 n VAL 239 Cb 0.50 -2.04 0.00 0.00 -0.91 0.00 0.00 33.84 31.39 1p89 n VAL 239 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72