#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p88 n ASN 26 N 0.00 0.00 0.40 6.43 4.13 -1.26 -3.30 115.26 121.66 1p88 n ASN 26 Ca 0.00 0.48 -0.18 0.00 1.68 0.00 0.00 54.58 56.56 1p88 n ASN 26 Cb 0.00 -0.42 -0.09 0.00 -1.54 0.00 0.00 39.78 37.73 1p88 n ASN 26 CO 0.00 0.00 0.00 0.03 0.28 0.00 0.00 177.26 177.57 1p88 h ARG 27 N 0.00 -0.97 -0.98 3.52 3.08 -1.98 -1.75 114.38 115.30 1p88 h ARG 27 Ca 0.00 0.07 0.28 0.00 0.07 0.00 0.00 59.98 60.40 1p88 h ARG 27 Cb 0.00 0.22 -0.18 0.00 0.08 0.00 0.00 29.97 30.09 1p88 h ARG 27 CO 0.00 -0.63 0.08 0.00 -1.07 0.00 0.00 179.97 178.35 1p88 h ALA 28 N -0.82 1.25 -0.06 0.04 0.00 -1.93 0.83 119.26 118.57 1p88 h ALA 28 Ca -0.10 0.33 -0.19 0.00 0.00 0.00 0.00 54.91 54.95 1p88 h ALA 28 Cb 0.78 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1p88 h ALA 28 CO 0.17 -0.60 -0.76 -0.07 0.00 0.00 0.00 179.25 178.00 1p88 h LEU 29 N 0.02 0.44 0.02 0.00 3.38 -1.52 -0.80 115.31 116.84 1p88 h LEU 29 Ca 0.61 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 58.29 1p88 h LEU 29 Cb 1.30 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1p88 h LEU 29 CO -0.89 1.04 -0.01 0.25 0.09 0.00 0.00 178.44 178.92 1p88 h LEU 30 N 0.24 -0.02 -1.48 1.67 5.85 0.13 -1.60 115.31 120.11 1p88 h LEU 30 Ca -0.03 -0.41 -0.05 0.00 0.84 0.00 0.00 57.88 58.22 1p88 h LEU 30 Cb 1.34 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.36 1p88 h LEU 30 CO 0.13 0.41 -0.25 -0.07 -0.34 0.00 0.00 178.44 178.31 1p88 h LEU 31 N -0.45 0.00 -0.68 2.25 3.38 -0.13 0.16 115.31 119.83 1p88 h LEU 31 Ca -0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 1p88 h LEU 31 Cb 0.43 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1p88 h LEU 31 CO 0.00 0.25 -0.02 0.00 0.09 0.00 0.00 178.44 178.77 1p88 h ALA 32 N 1.75 0.89 0.23 1.53 0.00 -0.94 -1.58 119.26 121.14 1p88 h ALA 32 Ca -0.00 -0.31 -0.32 0.00 0.00 0.00 0.00 54.91 54.28 1p88 h ALA 32 Cb 0.55 -0.21 0.03 0.00 0.00 0.00 0.00 17.79 18.16 1p88 h ALA 32 CO 0.03 0.65 -1.41 0.00 0.00 0.00 0.00 179.25 178.52 1p88 h ALA 33 N 1.05 -0.12 0.00 0.00 0.00 -0.65 -3.16 119.26 116.39 1p88 h ALA 33 Ca 0.16 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1p88 h ALA 33 Cb 0.56 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1p88 h ALA 33 CO 0.03 0.68 0.00 1.28 0.00 0.00 0.00 179.25 181.24 1p88 n LEU 34 N -3.77 0.00 0.00 0.00 4.77 0.49 0.94 117.00 119.43 1p88 n LEU 34 Ca -0.18 0.18 -0.20 0.00 -0.03 0.00 0.00 56.01 55.79 1p88 n LEU 34 Cb 1.06 -0.18 0.07 0.00 -2.33 0.00 0.00 43.42 42.04 1p88 n LEU 34 CO 0.58 -0.11 0.38 0.00 -1.33 0.00 0.00 177.39 176.91 1p88 n ALA 35 N -1.18 1.22 -3.59 -1.18 0.00 -0.60 -1.57 120.51 113.61 1p88 n ALA 35 Ca 0.07 -2.13 -0.35 0.00 0.00 0.00 0.00 53.44 51.02 1p88 n ALA 35 Cb 0.07 0.57 -0.14 0.00 0.00 0.00 0.00 19.45 19.96 1p88 n ALA 35 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1p88 s HIS 36 N -2.68 3.21 0.00 0.00 3.76 0.12 0.18 115.29 119.88 1p88 s HIS 36 Ca 0.62 -1.69 0.00 0.00 -0.15 0.00 0.00 55.06 53.84 1p88 s HIS 36 Cb -0.05 -2.12 0.00 0.00 1.11 0.00 0.00 32.58 31.52 1p88 s HIS 36 CO 0.40 -0.76 0.00 0.41 -0.85 0.00 0.00 174.74 173.93 1p88 n GLY 37 N 4.67 2.64 3.59 -2.22 0.00 -1.26 -2.07 105.19 110.53 1p88 n GLY 37 Ca -0.14 -2.06 -0.40 0.00 0.00 0.00 0.00 46.02 43.42 1p88 n GLY 37 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1p88 s LYS 38 N -2.39 3.90 0.05 1.61 2.20 -1.25 0.23 119.74 124.09 1p88 s LYS 38 Ca 0.00 -0.06 0.08 0.00 -0.36 0.00 0.00 55.97 55.62 1p88 s LYS 38 Cb 0.00 -3.70 -0.03 0.00 -1.51 0.00 0.00 37.83 32.59 1p88 s LYS 38 CO 0.00 -0.36 -0.21 0.99 -0.36 0.00 0.00 175.35 175.41 1p88 s THR 39 N 2.09 2.57 -0.08 3.43 2.01 -1.01 -4.50 115.64 120.15 1p88 s THR 39 Ca 0.15 -1.27 -0.04 0.00 0.31 0.00 0.00 61.69 60.84 1p88 s THR 39 Cb -0.16 -2.06 -0.04 0.00 0.01 0.00 0.00 72.50 70.25 1p88 s THR 39 CO 0.11 0.34 0.09 -0.69 -0.69 0.00 0.00 174.62 173.78 1p88 s VAL 40 N -0.89 5.04 -0.23 3.82 1.01 0.50 -0.43 120.40 129.21 1p88 s VAL 40 Ca 0.14 -0.05 -0.01 0.00 0.00 0.00 0.00 61.98 62.06 1p88 s VAL 40 Cb -0.10 -3.21 0.02 0.00 0.00 0.00 0.00 36.38 33.09 1p88 s VAL 40 CO 0.04 0.55 -0.08 -0.76 0.00 0.00 0.00 175.10 174.85 1p88 s LEU 41 N -1.17 2.98 0.04 3.92 2.01 0.13 0.23 118.68 126.82 1p88 s LEU 41 Ca 0.17 -0.79 0.01 0.00 0.01 0.00 0.00 54.13 53.53 1p88 s LEU 41 Cb -0.12 -1.64 -0.04 0.00 0.01 0.00 0.00 46.19 44.40 1p88 s LEU 41 CO 0.06 -0.09 0.11 0.28 1.01 0.00 0.00 176.35 177.71 1p88 s THR 42 N 1.33 4.78 -1.07 5.49 -1.32 0.34 -0.68 115.64 124.52 1p88 s THR 42 Ca 0.01 -0.54 0.00 0.00 -1.21 0.00 0.00 61.69 59.95 1p88 s THR 42 Cb -0.16 -3.26 0.00 0.00 -1.51 0.00 0.00 72.50 67.57 1p88 s THR 42 CO -0.06 0.22 0.00 -3.20 -2.21 0.00 0.00 174.62 169.37 1p88 n ASN 43 N 0.72 -3.96 -3.34 8.08 5.15 -0.85 0.49 115.26 121.55 1p88 n ASN 43 Ca -0.10 0.10 -0.16 0.00 -0.60 0.00 0.00 54.58 53.82 1p88 n ASN 43 Cb 0.52 -2.91 0.16 0.00 -0.53 0.00 0.00 39.78 37.02 1p88 n ASN 43 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1p88 n LEU 44 N -1.51 0.00 -4.49 1.20 4.77 0.45 -4.71 117.00 112.70 1p88 n LEU 44 Ca -0.13 -0.46 -0.34 0.00 -0.03 0.00 0.00 56.01 55.05 1p88 n LEU 44 Cb 0.52 -0.68 -0.12 0.00 -2.33 0.00 0.00 43.42 40.81 1p88 n LEU 44 CO 0.16 -2.34 -0.37 -0.22 -1.33 0.00 0.00 177.39 173.30 1p88 s LEU 45 N 0.00 3.18 -1.04 2.23 2.96 -1.26 -4.77 118.68 119.98 1p88 s LEU 45 Ca 0.35 -0.14 -0.19 0.00 -0.22 0.00 0.00 54.13 53.94 1p88 s LEU 45 Cb -0.06 -1.75 0.12 0.00 0.50 0.00 0.00 46.19 44.99 1p88 s LEU 45 CO 0.30 0.19 1.31 -0.62 -1.32 0.00 0.00 176.35 176.21 1p88 s ASP 46 N 0.21 6.71 -0.23 3.68 -1.08 -1.26 -4.46 116.67 120.23 1p88 s ASP 46 Ca -0.03 -2.15 -0.26 0.00 -0.52 0.00 0.00 52.55 49.58 1p88 s ASP 46 Cb -0.14 -2.45 0.10 0.00 -1.46 0.00 0.00 42.92 38.97 1p88 s ASP 46 CO 0.03 -1.10 0.87 -0.55 0.52 0.00 0.00 175.17 174.94 1p88 s SER 47 N 3.80 -0.58 0.47 -0.34 0.15 -1.26 -5.02 113.70 110.93 1p88 s SER 47 Ca 0.39 1.00 0.43 0.00 0.70 0.00 0.00 55.95 58.47 1p88 s SER 47 Cb -0.03 0.97 1.48 0.00 -1.71 0.00 0.00 66.02 66.74 1p88 s SER 47 CO -0.06 -0.27 1.34 0.47 1.20 0.00 0.00 173.24 175.92 1p88 n ASP 48 N 2.02 0.01 -0.28 5.45 8.00 -1.26 0.18 116.55 130.67 1p88 n ASP 48 Ca -0.14 0.87 0.00 0.00 0.71 0.00 0.00 54.79 56.24 1p88 n ASP 48 Cb 0.56 -0.44 0.13 0.00 -0.02 0.00 0.00 41.12 41.35 1p88 n ASP 48 CO 0.00 0.00 0.00 -2.24 -0.39 0.00 0.00 177.20 174.57 1p88 h ASP 49 N 0.00 0.72 0.04 -2.24 2.03 -1.86 0.45 116.42 115.56 1p88 h ASP 49 Ca 0.81 0.02 -0.14 0.00 -0.73 0.00 0.00 57.03 57.00 1p88 h ASP 49 Cb 3.22 -0.12 -0.01 0.00 -0.83 0.00 0.00 39.33 41.59 1p88 h ASP 49 CO -0.03 0.46 -0.69 0.58 -1.03 0.00 0.00 179.24 178.53 1p88 h VAL 50 N 0.85 1.40 -1.00 4.15 2.07 0.17 -1.48 116.25 122.42 1p88 h VAL 50 Ca 0.35 -2.35 0.22 0.00 0.82 0.00 0.00 66.70 65.74 1p88 h VAL 50 Cb 0.19 2.96 -0.10 0.00 -1.52 0.00 0.00 31.29 32.83 1p88 h VAL 50 CO -0.18 0.57 0.62 -0.09 0.02 0.00 0.00 177.57 178.52 1p88 h ARG 51 N -0.77 0.55 0.07 1.57 2.43 -1.15 0.52 114.38 117.60 1p88 h ARG 51 Ca -0.16 -0.03 -0.25 0.00 -0.81 0.00 0.00 59.98 58.73 1p88 h ARG 51 Cb 1.32 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 1p88 h ARG 51 CO -0.01 0.37 -1.16 0.45 -1.51 0.00 0.00 179.97 178.10 1p88 h HIS 52 N 0.57 0.26 -0.76 2.20 3.86 -0.19 1.29 115.15 122.38 1p88 h HIS 52 Ca 0.57 -0.19 0.13 0.00 -1.16 0.00 0.00 60.37 59.71 1p88 h HIS 52 Cb 1.16 -0.01 -0.05 0.00 1.06 0.00 0.00 27.41 29.57 1p88 h HIS 52 CO -0.00 1.16 0.50 1.98 0.86 0.00 0.00 177.93 182.43 1p88 h MET 53 N 0.04 0.53 0.18 2.45 1.85 0.97 3.88 114.93 124.83 1p88 h MET 53 Ca -0.09 -0.03 -0.27 0.00 -0.61 0.00 0.00 59.70 58.70 1p88 h MET 53 Cb 1.89 -0.12 0.02 0.00 0.43 0.00 0.00 31.60 33.82 1p88 h MET 53 CO 0.17 0.35 -1.25 -0.07 -0.40 0.00 0.00 176.91 175.71 1p88 h LEU 54 N 0.54 0.59 -1.51 3.39 3.38 -0.31 -3.14 115.31 118.25 1p88 h LEU 54 Ca 0.37 -0.92 -0.01 0.00 0.09 0.00 0.00 57.88 57.41 1p88 h LEU 54 Cb 0.67 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1p88 h LEU 54 CO -0.13 1.58 0.23 -1.13 0.09 0.00 0.00 178.44 179.08 1p88 h ASN 55 N -0.15 0.49 -0.22 -0.43 -1.24 0.52 1.49 115.58 116.04 1p88 h ASN 55 Ca -0.23 -0.03 -0.02 0.00 0.71 0.00 0.00 56.30 56.73 1p88 h ASN 55 Cb 1.88 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 40.80 1p88 h ASN 55 CO 0.18 0.39 0.05 0.00 -1.29 0.00 0.00 177.43 176.76 1p88 h ALA 56 N 1.69 0.29 -0.73 1.57 0.00 0.71 0.57 119.26 123.36 1p88 h ALA 56 Ca 0.15 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1p88 h ALA 56 Cb 0.01 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1p88 h ALA 56 CO -0.03 -0.06 0.23 -0.07 0.00 0.00 0.00 179.25 179.33 1p88 h LEU 57 N 0.17 1.06 -1.56 0.00 4.07 -1.28 -1.84 115.31 115.93 1p88 h LEU 57 Ca 0.07 -0.20 0.01 0.00 0.08 0.00 0.00 57.88 57.84 1p88 h LEU 57 Cb 0.28 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 41.72 1p88 h LEU 57 CO 0.00 0.98 0.30 0.74 -1.08 0.00 0.00 178.44 179.38 1p88 h THR 58 N 1.09 1.11 0.04 0.22 2.02 0.29 0.79 112.91 118.47 1p88 h THR 58 Ca 0.24 -0.21 -0.25 0.00 0.77 0.00 0.00 66.41 66.96 1p88 h THR 58 Cb 0.30 0.45 0.01 0.00 -1.74 0.00 0.00 68.15 67.17 1p88 h THR 58 CO -0.01 0.11 -1.05 0.00 0.37 0.00 0.00 175.52 174.94 1p88 h ALA 59 N 1.72 0.23 0.00 6.16 0.00 0.86 -3.22 119.26 125.01 1p88 h ALA 59 Ca 0.17 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1p88 h ALA 59 Cb -0.07 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1p88 h ALA 59 CO -0.04 0.80 -0.19 1.28 0.00 0.00 0.00 179.25 181.10 1p88 n LEU 60 N -3.74 0.66 -0.02 0.00 4.77 -0.76 -4.60 117.00 113.31 1p88 n LEU 60 Ca -0.09 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 1p88 n LEU 60 Cb 0.90 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 1p88 n LEU 60 CO 0.53 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1p88 n GLY 61 N 1.35 1.42 3.61 -0.72 0.00 -0.01 -4.34 105.19 106.50 1p88 n GLY 61 Ca 0.05 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1p88 n GLY 61 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p88 s VAL 62 N -2.05 4.97 0.09 1.61 1.01 0.25 -4.99 120.40 121.29 1p88 s VAL 62 Ca 0.00 0.95 -0.29 0.00 0.00 0.00 0.00 61.98 62.65 1p88 s VAL 62 Cb 0.00 -3.96 -0.06 0.00 0.00 0.00 0.00 36.38 32.36 1p88 s VAL 62 CO 0.00 -0.06 0.90 -0.44 0.00 0.00 0.00 175.10 175.50 1p88 s SER 63 N 1.57 7.41 0.16 3.32 0.01 -1.26 -4.27 113.70 120.65 1p88 s SER 63 Ca 0.25 1.69 -0.21 0.00 1.31 0.00 0.00 55.95 58.99 1p88 s SER 63 Cb -0.15 -2.55 0.06 0.00 0.21 0.00 0.00 66.02 63.58 1p88 s SER 63 CO 0.10 -0.05 0.55 -0.72 0.41 0.00 0.00 173.24 173.54 1p88 s TYR 64 N 0.00 -0.42 0.11 2.43 1.13 -1.26 0.27 117.35 119.61 1p88 s TYR 64 Ca 0.45 0.17 0.09 0.00 -1.41 0.00 0.00 57.07 56.37 1p88 s TYR 64 Cb -0.22 0.48 -0.04 0.00 -1.10 0.00 0.00 41.96 41.08 1p88 s TYR 64 CO 0.28 -0.83 -0.24 0.99 -2.51 0.00 0.00 175.55 173.24 1p88 s THR 65 N -3.78 1.95 -0.03 -3.49 2.01 0.82 -4.91 115.64 108.21 1p88 s THR 65 Ca 0.02 -1.62 0.07 0.00 0.31 0.00 0.00 61.69 60.48 1p88 s THR 65 Cb -0.00 -1.74 -0.02 0.00 0.01 0.00 0.00 72.50 70.74 1p88 s THR 65 CO -0.12 0.02 -0.24 -0.22 -0.69 0.00 0.00 174.62 173.37 1p88 s LEU 66 N -1.93 2.05 0.00 4.42 2.96 -1.26 0.11 118.68 125.03 1p88 s LEU 66 Ca 0.10 -0.45 0.00 0.00 -0.22 0.00 0.00 54.13 53.55 1p88 s LEU 66 Cb -0.10 -1.28 0.00 0.00 0.50 0.00 0.00 46.19 45.31 1p88 s LEU 66 CO 0.05 0.29 0.00 -0.24 -1.32 0.00 0.00 176.35 175.13 1p88 n SER 67 N 2.58 -0.58 0.07 3.68 2.88 0.32 -4.94 113.62 117.63 1p88 n SER 67 Ca -0.16 -0.27 0.05 0.00 -1.33 0.00 0.00 58.87 57.15 1p88 n SER 67 Cb 0.52 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.94 1p88 n SER 67 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1p88 h ALA 68 N -2.00 0.61 -0.01 -1.46 0.00 -2.01 -3.30 119.26 111.10 1p88 h ALA 68 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1p88 h ALA 68 Cb 0.00 0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1p88 h ALA 68 CO 0.00 0.53 0.00 -0.25 0.00 0.00 0.00 179.25 179.53 1p88 n ASP 69 N -2.84 0.21 -2.06 0.00 9.92 -1.26 -4.88 116.55 115.63 1p88 n ASP 69 Ca -0.05 -1.17 -0.14 0.00 -0.53 0.00 0.00 54.79 52.90 1p88 n ASP 69 Cb 0.72 -0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 41.17 1p88 n ASP 69 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1p88 n ARG 70 N -0.79 -1.84 0.00 -1.24 0.00 -1.24 -4.72 116.66 106.84 1p88 n ARG 70 Ca 0.21 0.72 0.00 0.00 -0.00 0.00 0.00 57.85 58.78 1p88 n ARG 70 Cb 0.13 -5.20 0.00 0.00 0.00 0.00 0.00 32.46 27.39 1p88 n ARG 70 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1p88 n THR 71 N -2.93 0.00 -3.90 5.15 -2.24 -1.26 -4.50 114.28 104.60 1p88 n THR 71 Ca -0.15 -0.28 -0.35 0.00 -2.27 0.00 0.00 64.05 61.00 1p88 n THR 71 Cb 0.56 0.94 -0.14 0.00 -2.10 0.00 0.00 70.33 69.59 1p88 n THR 71 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1p88 s ARG 72 N -0.66 2.96 -0.05 -0.78 0.52 -1.25 0.17 118.95 119.86 1p88 s ARG 72 Ca 0.00 -0.91 0.01 0.00 -0.52 0.00 0.00 55.73 54.31 1p88 s ARG 72 Cb 0.00 -3.10 0.02 0.00 0.52 0.00 0.00 34.95 32.39 1p88 s ARG 72 CO 0.00 -0.40 -0.06 0.00 0.02 0.00 0.00 175.30 174.87 1p88 s GLU 74 N 1.00 3.44 -0.14 0.00 2.12 0.30 0.20 118.70 125.62 1p88 s GLU 74 Ca -0.10 -0.46 0.01 0.00 0.36 0.00 0.00 54.97 54.78 1p88 s GLU 74 Cb -0.14 -2.90 0.02 0.00 0.26 0.00 0.00 34.13 31.37 1p88 s GLU 74 CO -0.00 0.42 -0.16 0.42 -0.54 0.00 0.00 175.26 175.39 1p88 s ILE 75 N -0.11 1.69 -0.55 -3.70 1.01 0.43 0.29 121.20 120.25 1p88 s ILE 75 Ca 0.03 -0.73 -0.27 0.00 0.00 0.00 0.00 60.65 59.69 1p88 s ILE 75 Cb -0.13 -1.55 -0.03 0.00 0.01 0.00 0.00 42.46 40.77 1p88 s ILE 75 CO 0.02 0.48 1.93 0.27 0.00 0.00 0.00 174.94 177.64 1p88 s ILE 76 N 1.22 3.32 0.29 2.92 -0.00 0.77 -2.40 121.20 127.32 1p88 s ILE 76 Ca -0.00 0.22 -0.24 0.00 -0.00 0.00 0.00 60.65 60.62 1p88 s ILE 76 Cb -0.14 -3.76 -0.16 0.00 -0.00 0.00 0.00 42.46 38.40 1p88 s ILE 76 CO -0.07 -0.70 0.31 0.61 -0.00 0.00 0.00 174.94 175.09 1p88 n GLY 77 N 5.70 -2.17 0.09 6.27 0.00 0.63 -4.01 105.19 111.71 1p88 n GLY 77 Ca 0.23 0.17 0.13 0.00 0.00 0.00 0.00 46.02 46.55 1p88 n GLY 77 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1p88 n ASN 78 N 2.12 0.59 0.00 1.61 2.85 0.27 -4.18 115.26 118.51 1p88 n ASN 78 Ca 0.15 -0.41 0.00 0.00 -0.11 0.00 0.00 54.58 54.20 1p88 n ASN 78 Cb 0.31 0.07 0.00 0.00 1.24 0.00 0.00 39.78 41.40 1p88 n ASN 78 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1p88 n GLY 79 N 1.41 0.77 0.00 8.20 0.00 0.48 -4.88 105.19 111.17 1p88 n GLY 79 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1p88 n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p88 n GLY 80 N -2.15 0.01 3.63 -0.02 0.00 -0.61 -4.76 105.19 101.29 1p88 n GLY 80 Ca 0.00 -1.05 -0.52 0.00 0.00 0.00 0.00 46.02 44.45 1p88 n GLY 80 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1p88 n PRO 81 N 0.00 1.37 -2.24 1.61 -0.02 -1.26 -4.04 135.00 130.42 1p88 n PRO 81 Ca 0.00 0.50 -0.43 0.00 -2.02 0.00 0.00 63.50 61.55 1p88 n PRO 81 Cb 0.00 -2.18 -0.02 0.00 -0.02 0.00 0.00 33.50 31.28 1p88 n PRO 81 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1p88 s LEU 82 N 1.33 3.59 0.07 2.45 2.01 -1.26 -4.87 118.68 122.00 1p88 s LEU 82 Ca 0.87 1.02 -0.28 0.00 0.01 0.00 0.00 54.13 55.75 1p88 s LEU 82 Cb -0.92 -3.54 -0.05 0.00 0.01 0.00 0.00 46.19 41.70 1p88 s LEU 82 CO 0.49 -1.48 0.87 -1.38 1.01 0.00 0.00 176.35 175.86 1p88 s HIS 83 N 5.77 3.76 -0.24 0.29 -3.43 -1.26 -4.91 115.29 115.27 1p88 s HIS 83 Ca 0.67 1.64 -0.12 0.00 -0.80 0.00 0.00 55.06 56.45 1p88 s HIS 83 Cb -0.17 -2.96 -0.05 0.00 -1.43 0.00 0.00 32.58 27.98 1p88 s HIS 83 CO 0.32 0.21 0.22 0.00 -2.00 0.00 0.00 174.74 173.49 1p88 s ALA 84 N 0.10 3.59 -0.04 -1.38 0.00 -1.26 -4.42 121.76 118.34 1p88 s ALA 84 Ca 0.44 -0.83 -0.30 0.00 0.00 0.00 0.00 51.96 51.26 1p88 s ALA 84 Cb -0.22 -2.42 -0.05 0.00 0.00 0.00 0.00 23.12 20.44 1p88 s ALA 84 CO 0.26 -0.27 1.41 -1.21 0.00 0.00 0.00 175.76 175.95 1p88 s GLU 85 N 1.23 4.26 0.37 0.00 2.02 -1.26 -4.65 118.70 120.66 1p88 s GLU 85 Ca 0.10 1.93 0.00 0.00 0.02 0.00 0.00 54.97 57.02 1p88 s GLU 85 Cb -0.14 -3.68 0.00 0.00 0.10 0.00 0.00 34.13 30.41 1p88 s GLU 85 CO 0.06 -0.64 0.00 0.41 0.02 0.00 0.00 175.26 175.11 1p88 n GLY 86 N 3.70 -2.02 3.77 -1.39 0.00 -1.26 -4.67 105.19 103.32 1p88 n GLY 86 Ca 0.14 -1.07 -0.38 0.00 0.00 0.00 0.00 46.02 44.71 1p88 n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p88 s ALA 87 N -2.51 3.13 0.28 4.61 0.00 -1.26 -4.65 121.76 121.37 1p88 s ALA 87 Ca 0.00 0.83 0.09 0.00 0.00 0.00 0.00 51.96 52.88 1p88 s ALA 87 Cb 0.00 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 1p88 s ALA 87 CO 0.00 -0.35 0.02 -1.17 0.00 0.00 0.00 175.76 174.26 1p88 s LEU 88 N -2.49 3.21 -0.26 0.00 2.96 0.49 -4.96 118.68 117.64 1p88 s LEU 88 Ca 0.56 -0.67 -0.04 0.00 -0.22 0.00 0.00 54.13 53.76 1p88 s LEU 88 Cb -0.27 -1.71 0.10 0.00 0.50 0.00 0.00 46.19 44.81 1p88 s LEU 88 CO 0.33 -0.06 0.15 -1.61 -1.32 0.00 0.00 176.35 173.85 1p88 s GLU 89 N -3.70 0.18 -0.32 1.98 2.02 -1.26 0.24 118.70 117.84 1p88 s GLU 89 Ca 0.32 -0.32 -0.11 0.00 0.02 0.00 0.00 54.97 54.89 1p88 s GLU 89 Cb -0.06 -1.23 -0.01 0.00 0.10 0.00 0.00 34.13 32.94 1p88 s GLU 89 CO 0.20 -0.92 0.19 -0.51 0.02 0.00 0.00 175.26 174.25 1p88 s LEU 90 N 2.17 4.31 -0.69 1.80 1.02 0.42 -4.89 118.68 122.82 1p88 s LEU 90 Ca 0.07 -0.48 -0.21 0.00 0.02 0.00 0.00 54.13 53.54 1p88 s LEU 90 Cb -0.16 -2.07 0.09 0.00 0.02 0.00 0.00 46.19 44.08 1p88 s LEU 90 CO -0.29 -0.21 0.91 0.12 0.02 0.00 0.00 176.35 176.90 1p88 s PHE 91 N 1.67 2.86 -0.82 0.29 5.36 -1.26 -0.56 117.98 125.52 1p88 s PHE 91 Ca 0.05 -0.84 -0.00 0.00 -0.96 0.00 0.00 56.93 55.17 1p88 s PHE 91 Cb -0.17 -4.20 0.35 0.00 -0.34 0.00 0.00 43.02 38.66 1p88 s PHE 91 CO 0.08 -1.51 1.81 1.28 -1.46 0.00 0.00 175.22 175.42 1p88 n LEU 92 N 7.04 6.97 0.15 6.12 7.99 0.30 -4.82 117.00 140.74 1p88 n LEU 92 Ca -0.00 -5.06 -0.06 0.00 -0.01 0.00 0.00 56.01 50.87 1p88 n LEU 92 Cb 0.45 -0.99 -0.03 0.00 -0.11 0.00 0.00 43.42 42.75 1p88 n LEU 92 CO 0.60 1.92 0.51 1.23 -1.51 0.00 0.00 177.39 180.14 1p88 h GLY 93 N 3.23 -0.40 -0.53 -0.72 0.00 -1.86 -2.52 103.07 100.28 1p88 h GLY 93 Ca 0.50 0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.99 1p88 h GLY 93 CO 1.27 -0.15 0.00 0.70 0.00 0.00 0.00 176.54 178.36 1p88 n ASN 94 N -3.01 0.41 0.00 0.19 3.02 -1.26 -3.89 115.26 110.72 1p88 n ASN 94 Ca -0.05 -1.54 0.00 0.00 -0.03 0.00 0.00 54.58 52.96 1p88 n ASN 94 Cb 0.15 -0.20 0.00 0.00 -0.61 0.00 0.00 39.78 39.11 1p88 n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1p88 n ALA 95 N -0.18 0.00 0.00 5.41 0.00 -0.97 -2.99 120.51 121.78 1p88 n ALA 95 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1p88 n ALA 95 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.55 1p88 n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p88 n GLY 96 N 1.64 0.67 0.00 0.00 0.00 -1.08 -3.86 105.19 102.55 1p88 n GLY 96 Ca 0.00 -0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.10 1p88 n GLY 96 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1p88 n THR 97 N 0.00 0.70 -0.09 2.61 -2.24 -1.26 -2.78 114.28 111.22 1p88 n THR 97 Ca 0.00 0.18 -0.10 0.00 -2.27 0.00 0.00 64.05 61.86 1p88 n THR 97 Cb 0.00 -0.88 -0.16 0.00 -2.10 0.00 0.00 70.33 67.19 1p88 n THR 97 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1p88 n ALA 98 N -1.42 1.50 -0.18 6.98 0.00 -1.25 -4.10 120.51 122.03 1p88 n ALA 98 Ca 0.06 -1.27 -0.09 0.00 0.00 0.00 0.00 53.44 52.14 1p88 n ALA 98 Cb 0.18 -0.26 0.01 0.00 0.00 0.00 0.00 19.45 19.38 1p88 n ALA 98 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1p88 h MET 99 N 0.00 0.83 0.54 0.00 -1.53 -1.82 0.16 114.93 113.12 1p88 h MET 99 Ca -0.52 -0.20 -0.02 0.00 -3.44 0.00 0.00 59.70 55.52 1p88 h MET 99 Cb 2.22 -0.11 -0.02 0.00 -0.55 0.00 0.00 31.60 33.15 1p88 h MET 99 CO 0.03 0.80 -0.46 0.00 0.14 0.00 0.00 176.91 177.42 1p88 h ARG 100 N 0.72 -0.95 -0.04 0.39 -0.00 -1.74 0.85 114.38 113.61 1p88 h ARG 100 Ca 0.16 0.06 -0.01 0.00 -0.50 0.00 0.00 59.98 59.70 1p88 h ARG 100 Cb 0.34 0.22 -0.00 0.00 0.00 0.00 0.00 29.97 30.53 1p88 h ARG 100 CO 0.00 -0.63 -0.01 -1.00 0.00 0.00 0.00 179.97 178.33 1p88 h PRO 101 N -0.98 0.06 0.06 0.04 0.13 -1.69 -2.12 132.00 127.49 1p88 h PRO 101 Ca -0.07 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1p88 h PRO 101 Cb 0.83 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1p88 h PRO 101 CO -0.01 0.08 -0.03 -0.07 -0.23 0.00 0.00 178.00 177.74 1p88 h LEU 102 N 0.06 -0.07 -1.93 1.56 3.38 -0.20 0.77 115.31 118.88 1p88 h LEU 102 Ca 0.02 -0.57 0.18 0.00 0.09 0.00 0.00 57.88 57.59 1p88 h LEU 102 Cb 0.06 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1p88 h LEU 102 CO 0.00 0.62 0.55 0.00 0.09 0.00 0.00 178.44 179.70 1p88 h ALA 103 N -0.09 2.42 0.00 1.53 0.00 0.90 -0.28 119.26 123.74 1p88 h ALA 103 Ca -0.01 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1p88 h ALA 103 Cb 0.63 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1p88 h ALA 103 CO 0.01 -0.87 -0.63 0.00 0.00 0.00 0.00 179.25 177.76 1p88 h ALA 104 N 1.46 0.11 -0.35 0.00 0.00 -1.34 -3.33 119.26 115.81 1p88 h ALA 104 Ca 0.29 -0.72 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 1p88 h ALA 104 Cb 1.40 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 19.60 1p88 h ALA 104 CO -0.00 0.41 0.20 0.00 0.00 0.00 0.00 179.25 179.86 1p88 h ALA 105 N -0.60 1.69 0.00 0.00 0.00 -0.21 -2.57 119.26 117.58 1p88 h ALA 105 Ca -0.14 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1p88 h ALA 105 Cb 0.85 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1p88 h ALA 105 CO -0.08 0.27 -0.07 -0.07 0.00 0.00 0.00 179.25 179.29 1p88 h LEU 106 N 0.48 0.00 -1.59 0.00 3.38 -1.27 -3.18 115.31 113.14 1p88 h LEU 106 Ca 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1p88 h LEU 106 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1p88 h LEU 106 CO -0.02 0.07 0.02 0.00 0.09 0.00 0.00 178.44 178.60 1p88 n LEU 108 N 0.13 1.29 0.00 0.00 4.77 -1.20 0.63 117.00 122.62 1p88 n LEU 108 Ca 0.05 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 1p88 n LEU 108 Cb 0.46 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1p88 n LEU 108 CO 0.06 -0.20 0.00 0.61 -1.33 0.00 0.00 177.39 176.53 1p88 n GLY 109 N 2.25 -0.19 3.12 -0.72 0.00 -1.26 -1.96 105.19 106.42 1p88 n GLY 109 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1p88 n GLY 109 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1p88 s SER 110 N -1.49 -1.20 -0.12 1.61 0.01 -1.26 -0.65 113.70 110.60 1p88 s SER 110 Ca 0.00 -0.31 -0.11 0.00 1.31 0.00 0.00 55.95 56.84 1p88 s SER 110 Cb 0.00 1.82 0.03 0.00 0.21 0.00 0.00 66.02 68.08 1p88 s SER 110 CO 0.00 -0.26 0.32 0.20 0.41 0.00 0.00 173.24 173.91 1p88 s ASN 111 N 2.38 -0.33 -0.65 2.44 0.01 -1.25 -4.76 114.94 112.78 1p88 s ASN 111 Ca 0.12 0.64 -0.19 0.00 -0.71 0.00 0.00 52.86 52.72 1p88 s ASN 111 Cb -0.09 0.66 0.10 0.00 0.41 0.00 0.00 41.25 42.33 1p88 s ASN 111 CO -0.19 -0.12 0.81 -1.81 -1.51 0.00 0.00 177.10 174.28 1p88 s ASP 112 N 0.15 6.25 0.06 -1.22 1.11 -1.13 -1.33 116.67 120.56 1p88 s ASP 112 Ca -0.00 -1.45 0.09 0.00 0.18 0.00 0.00 52.55 51.37 1p88 s ASP 112 Cb -0.02 -2.33 -0.03 0.00 1.07 0.00 0.00 42.92 41.60 1p88 s ASP 112 CO 0.00 -1.16 -0.25 -0.63 1.18 0.00 0.00 175.17 174.31 1p88 s ILE 113 N 2.89 2.30 -0.28 0.77 1.09 0.49 0.19 121.20 128.65 1p88 s ILE 113 Ca 0.16 -1.42 -0.03 0.00 -1.10 0.00 0.00 60.65 58.26 1p88 s ILE 113 Cb -0.20 -1.94 0.03 0.00 -1.06 0.00 0.00 42.46 39.29 1p88 s ILE 113 CO 0.05 0.30 -0.01 -0.69 -0.10 0.00 0.00 174.94 174.49 1p88 s VAL 114 N -0.88 3.14 -0.38 2.92 1.01 0.66 0.16 120.40 127.03 1p88 s VAL 114 Ca 0.13 -1.11 -0.12 0.00 0.00 0.00 0.00 61.98 60.88 1p88 s VAL 114 Cb -0.10 -2.68 0.02 0.00 0.00 0.00 0.00 36.38 33.62 1p88 s VAL 114 CO 0.04 0.05 0.24 -0.76 0.00 0.00 0.00 175.10 174.66 1p88 s LEU 115 N 1.33 4.78 0.00 3.92 1.43 0.52 0.16 118.68 130.83 1p88 s LEU 115 Ca -0.02 -0.88 0.00 0.00 -1.03 0.00 0.00 54.13 52.21 1p88 s LEU 115 Cb -0.18 -2.08 -0.00 0.00 0.03 0.00 0.00 46.19 43.96 1p88 s LEU 115 CO -0.02 -0.38 0.01 0.41 0.23 0.00 0.00 176.35 176.61 1p88 n THR 116 N 5.06 0.00 -3.51 5.49 -1.04 0.28 -1.68 114.28 118.89 1p88 n THR 116 Ca -0.12 -0.49 -0.01 0.00 -2.04 0.00 0.00 64.05 61.39 1p88 n THR 116 Cb 0.47 0.14 0.01 0.00 -1.82 0.00 0.00 70.33 69.12 1p88 n THR 116 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1p88 n GLY 117 N 2.77 1.21 3.83 3.41 0.00 -1.26 0.11 105.19 115.25 1p88 n GLY 117 Ca -0.03 -1.01 -0.29 0.00 0.00 0.00 0.00 46.02 44.69 1p88 n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1p88 s GLU 118 N -2.02 1.01 0.48 1.61 0.41 -1.26 -4.75 118.70 114.18 1p88 s GLU 118 Ca 0.07 0.06 0.29 0.00 -0.41 0.00 0.00 54.97 54.97 1p88 s GLU 118 Cb -0.01 -1.85 1.36 0.00 -1.78 0.00 0.00 34.13 31.86 1p88 s GLU 118 CO 0.02 -2.24 1.78 -1.00 -0.49 0.00 0.00 175.26 173.33 1p88 h PRO 119 N -1.52 0.16 0.00 0.39 0.13 -2.01 0.81 132.00 129.96 1p88 h PRO 119 Ca -0.47 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 64.58 1p88 h PRO 119 Cb 1.31 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1p88 h PRO 119 CO 0.55 0.11 -0.31 0.00 -0.23 0.00 0.00 178.00 178.12 1p88 h ARG 120 N 0.17 0.00 -0.89 0.86 3.08 -1.91 -2.38 114.38 113.31 1p88 h ARG 120 Ca 0.60 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.64 1p88 h ARG 120 Cb 1.99 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 32.00 1p88 h ARG 120 CO -0.16 0.31 0.52 1.98 -1.07 0.00 0.00 179.97 181.55 1p88 h MET 121 N 0.00 1.23 0.00 0.04 4.05 0.42 -0.61 114.93 120.06 1p88 h MET 121 Ca -0.00 -0.13 0.00 0.00 -0.28 0.00 0.00 59.70 59.29 1p88 h MET 121 Cb 0.62 -0.25 0.00 0.00 -0.80 0.00 0.00 31.60 31.17 1p88 h MET 121 CO 0.04 0.88 0.00 0.87 0.23 0.00 0.00 176.91 178.93 1p88 h LYS 122 N 1.24 0.00 -0.01 0.39 1.57 -1.41 0.18 116.57 118.54 1p88 h LYS 122 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1p88 h LYS 122 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1p88 h LYS 122 CO -0.06 0.00 -0.11 -1.91 -0.57 0.00 0.00 179.45 176.80 1p88 n GLU 123 N -2.60 0.83 -3.85 3.15 4.07 -0.24 -4.46 120.64 117.54 1p88 n GLU 123 Ca -0.01 -0.33 -0.30 0.00 -0.06 0.00 0.00 57.16 56.46 1p88 n GLU 123 Cb 0.11 -1.49 -0.13 0.00 -0.06 0.00 0.00 31.44 29.87 1p88 n GLU 123 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 1p88 s ARG 124 N -2.39 1.78 0.60 5.31 0.52 0.63 -5.11 118.95 120.28 1p88 s ARG 124 Ca 0.30 -2.49 -0.19 0.00 -0.52 0.00 0.00 55.73 52.84 1p88 s ARG 124 Cb 0.20 -2.96 -0.04 0.00 0.52 0.00 0.00 34.95 32.67 1p88 s ARG 124 CO 0.46 -1.15 1.09 -0.35 0.02 0.00 0.00 175.30 175.36 1p88 n PRO 125 N 3.12 1.05 -0.00 3.54 -0.04 -1.26 -4.41 135.00 137.00 1p88 n PRO 125 Ca 0.08 0.41 0.00 0.00 -0.04 0.00 0.00 63.50 63.95 1p88 n PRO 125 Cb 0.34 -2.30 0.00 0.00 -0.04 0.00 0.00 33.50 31.50 1p88 n PRO 125 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1p88 n ILE 126 N -1.65 0.90 -0.19 0.52 0.13 0.19 -4.77 119.36 114.50 1p88 n ILE 126 Ca 0.14 -0.95 -0.04 0.00 -1.10 0.00 0.00 62.75 60.80 1p88 n ILE 126 Cb 0.47 0.55 0.06 0.00 -0.84 0.00 0.00 39.64 39.88 1p88 n ILE 126 CO 0.00 0.00 0.00 1.23 2.80 0.00 0.00 176.55 180.58 1p88 h GLY 127 N 0.03 0.79 0.60 4.50 0.00 -1.80 0.08 103.07 107.27 1p88 h GLY 127 Ca 0.00 -0.20 0.11 0.00 0.00 0.00 0.00 47.33 47.24 1p88 h GLY 127 CO 0.00 0.13 0.60 0.45 0.00 0.00 0.00 176.54 177.72 1p88 h HIS 128 N 0.56 1.00 -0.03 5.60 3.86 -1.89 0.17 115.15 124.42 1p88 h HIS 128 Ca 0.24 0.03 -0.11 0.00 -1.16 0.00 0.00 60.37 59.37 1p88 h HIS 128 Cb 0.14 -0.32 0.01 0.00 1.06 0.00 0.00 27.41 28.29 1p88 h HIS 128 CO -0.09 0.43 -0.40 1.25 0.86 0.00 0.00 177.93 179.98 1p88 h LEU 129 N 0.90 0.40 -0.36 2.43 5.85 -1.76 -1.34 115.31 121.43 1p88 h LEU 129 Ca 0.45 -0.72 0.04 0.00 0.84 0.00 0.00 57.88 58.49 1p88 h LEU 129 Cb 0.48 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 1p88 h LEU 129 CO -0.21 1.06 0.11 0.58 -0.34 0.00 0.00 178.44 179.65 1p88 h VAL 130 N -0.22 0.88 -0.11 1.05 2.07 -0.22 0.49 116.25 120.18 1p88 h VAL 130 Ca -0.04 -0.09 -0.16 0.00 0.82 0.00 0.00 66.70 67.23 1p88 h VAL 130 Cb 1.10 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 1p88 h VAL 130 CO 0.08 0.05 -0.60 -0.78 0.02 0.00 0.00 177.57 176.33 1p88 h ASP 131 N 0.26 0.43 -0.43 0.57 3.58 -0.79 0.79 116.42 120.84 1p88 h ASP 131 Ca 0.17 -0.25 -0.02 0.00 0.42 0.00 0.00 57.03 57.35 1p88 h ASP 131 Cb 0.15 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.06 1p88 h ASP 131 CO -0.18 0.93 0.20 0.00 -2.88 0.00 0.00 179.24 177.32 1p88 h ALA 132 N 1.07 0.55 0.00 -0.78 0.00 -0.49 0.37 119.26 119.98 1p88 h ALA 132 Ca -0.01 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1p88 h ALA 132 Cb 1.13 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1p88 h ALA 132 CO 0.10 0.12 -0.00 -0.07 0.00 0.00 0.00 179.25 179.40 1p88 h LEU 133 N 0.55 -0.01 -2.09 0.00 3.38 0.06 -3.18 115.31 114.03 1p88 h LEU 133 Ca 0.15 -0.84 0.09 0.00 0.09 0.00 0.00 57.88 57.37 1p88 h LEU 133 Cb 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1p88 h LEU 133 CO -0.02 0.85 0.27 0.03 0.09 0.00 0.00 178.44 179.66 1p88 h ARG 134 N -0.87 0.00 -0.15 1.13 2.47 0.63 0.35 114.38 117.94 1p88 h ARG 134 Ca -0.00 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.62 1p88 h ARG 134 Cb 0.84 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.15 1p88 h ARG 134 CO 0.00 0.00 -0.33 1.25 0.56 0.00 0.00 179.97 181.45 1p88 h LEU 135 N 0.00 0.31 -0.71 3.04 5.85 -0.26 -2.22 115.31 121.32 1p88 h LEU 135 Ca 0.15 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1p88 h LEU 135 Cb 0.70 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.64 1p88 h LEU 135 CO -0.00 0.63 0.00 0.61 -0.34 0.00 0.00 178.44 179.34 1p88 n GLY 136 N -0.33 0.26 0.54 3.75 0.00 0.12 -4.79 105.19 104.73 1p88 n GLY 136 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1p88 n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p88 n GLY 137 N 0.44 0.67 3.78 -0.02 0.00 -0.84 -0.11 105.19 109.11 1p88 n GLY 137 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 1p88 n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p88 s ALA 138 N -2.30 2.63 -0.49 4.61 0.00 -0.85 -3.27 121.76 122.11 1p88 s ALA 138 Ca 0.00 0.65 -0.14 0.00 0.00 0.00 0.00 51.96 52.47 1p88 s ALA 138 Cb 0.00 -3.32 0.09 0.00 0.00 0.00 0.00 23.12 19.89 1p88 s ALA 138 CO 0.00 -0.92 0.41 0.15 0.00 0.00 0.00 175.76 175.40 1p88 s LYS 139 N -3.67 2.90 -0.06 0.00 1.02 -0.20 -4.18 119.74 115.55 1p88 s LYS 139 Ca 0.69 -1.50 0.00 0.00 0.02 0.00 0.00 55.97 55.18 1p88 s LYS 139 Cb -0.21 -4.13 0.02 0.00 -0.52 0.00 0.00 37.83 33.00 1p88 s LYS 139 CO 0.33 -1.12 -0.03 0.42 -0.92 0.00 0.00 175.35 174.02 1p88 s ILE 140 N 1.58 0.52 -0.02 2.17 1.01 -1.26 -1.53 121.20 123.67 1p88 s ILE 140 Ca 0.04 -0.07 0.07 0.00 0.00 0.00 0.00 60.65 60.69 1p88 s ILE 140 Cb -0.26 -0.58 -0.02 0.00 0.01 0.00 0.00 42.46 41.61 1p88 s ILE 140 CO 0.04 0.24 -0.24 -0.89 0.00 0.00 0.00 174.94 174.10 1p88 s THR 141 N 1.24 1.87 -0.02 2.92 2.01 -0.60 -4.95 115.64 118.13 1p88 s THR 141 Ca -0.06 -1.01 -0.28 0.00 0.31 0.00 0.00 61.69 60.65 1p88 s THR 141 Cb -0.14 -1.56 -0.03 0.00 0.01 0.00 0.00 72.50 70.78 1p88 s THR 141 CO -0.02 0.53 0.91 -0.31 -0.69 0.00 0.00 174.62 175.04 1p88 s TYR 142 N -0.50 3.64 0.00 4.92 2.02 -1.26 -0.51 117.35 125.66 1p88 s TYR 142 Ca 0.07 1.59 0.00 0.00 -0.37 0.00 0.00 57.07 58.37 1p88 s TYR 142 Cb -0.10 -3.04 0.00 0.00 -0.40 0.00 0.00 41.96 38.42 1p88 s TYR 142 CO -0.00 0.01 0.00 1.28 -1.57 0.00 0.00 175.55 175.27 1p88 n LEU 143 N 3.86 0.00 0.00 -1.29 7.99 -1.26 -4.89 117.00 121.42 1p88 n LEU 143 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.04 1p88 n LEU 143 Cb 0.51 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.82 1p88 n LEU 143 CO 0.51 0.00 0.23 -0.62 -1.51 0.00 0.00 177.39 175.99 1p88 n GLU 144 N 0.00 0.00 -4.30 3.23 1.02 -1.26 -4.82 120.64 114.51 1p88 n GLU 144 Ca 0.00 0.09 -0.29 0.00 -0.02 0.00 0.00 57.16 56.94 1p88 n GLU 144 Cb 0.00 -0.95 -0.11 0.00 -0.02 0.00 0.00 31.44 30.36 1p88 n GLU 144 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1p88 s GLN 145 N -0.90 1.87 0.28 3.49 -0.21 -1.26 -5.09 119.66 117.83 1p88 s GLN 145 Ca 0.00 -1.21 -0.29 0.00 0.02 0.00 0.00 55.36 53.88 1p88 s GLN 145 Cb 0.00 -2.13 -0.10 0.00 1.00 0.00 0.00 33.01 31.78 1p88 s GLN 145 CO 0.00 0.47 1.32 -1.21 -2.12 0.00 0.00 175.29 173.74 1p88 s GLU 146 N -2.35 4.37 -1.51 2.91 2.02 -1.26 -2.23 118.70 120.65 1p88 s GLU 146 Ca 0.20 2.16 0.00 0.00 0.02 0.00 0.00 54.97 57.35 1p88 s GLU 146 Cb -0.10 -3.12 0.00 0.00 0.10 0.00 0.00 34.13 31.01 1p88 s GLU 146 CO 0.12 -0.22 0.00 0.09 0.02 0.00 0.00 175.26 175.27 1p88 n ASN 147 N 1.61 -4.72 -4.74 -0.19 5.03 -1.26 -4.88 115.26 106.12 1p88 n ASN 147 Ca 0.03 0.35 -0.25 0.00 0.87 0.00 0.00 54.58 55.58 1p88 n ASN 147 Cb 0.42 -3.49 -0.07 0.00 -1.02 0.00 0.00 39.78 35.62 1p88 n ASN 147 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 1p88 s TYR 148 N -2.54 2.61 0.07 3.10 1.51 -0.95 0.57 117.35 121.72 1p88 s TYR 148 Ca 0.00 -0.59 -0.13 0.00 -1.01 0.00 0.00 57.07 55.34 1p88 s TYR 148 Cb 0.00 -1.97 -0.03 0.00 -0.11 0.00 0.00 41.96 39.86 1p88 s TYR 148 CO 0.00 0.18 0.85 -2.30 -1.11 0.00 0.00 175.55 173.17 1p88 n PRO 149 N -1.24 -0.18 -1.60 -1.71 -0.02 -1.26 -4.35 135.00 124.63 1p88 n PRO 149 Ca -0.01 0.84 -0.39 0.00 -2.02 0.00 0.00 63.50 61.92 1p88 n PRO 149 Cb 0.65 -1.24 0.03 0.00 -0.02 0.00 0.00 33.50 32.92 1p88 n PRO 149 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1p88 n PRO 150 N -4.05 1.10 -3.67 0.52 -0.02 -1.12 -4.29 135.00 123.46 1p88 n PRO 150 Ca 0.01 0.41 -0.12 0.00 -2.02 0.00 0.00 63.50 61.78 1p88 n PRO 150 Cb 0.11 -2.08 -0.08 0.00 -0.02 0.00 0.00 33.50 31.43 1p88 n PRO 150 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1p88 s LEU 151 N -1.08 -0.36 -0.42 2.45 1.43 -0.67 -4.08 118.68 115.95 1p88 s LEU 151 Ca 0.69 1.21 -0.07 0.00 -1.03 0.00 0.00 54.13 54.92 1p88 s LEU 151 Cb -0.48 1.99 0.09 0.00 0.03 0.00 0.00 46.19 47.82 1p88 s LEU 151 CO 0.53 -0.21 0.25 -0.13 0.23 0.00 0.00 176.35 177.02 1p88 s ARG 152 N 0.75 2.44 0.16 1.70 0.52 0.33 -0.35 118.95 124.50 1p88 s ARG 152 Ca -0.03 -1.60 -0.12 0.00 -0.52 0.00 0.00 55.73 53.46 1p88 s ARG 152 Cb -0.05 -3.74 -0.07 0.00 0.52 0.00 0.00 34.95 31.61 1p88 s ARG 152 CO -0.05 -1.02 0.52 -0.51 0.02 0.00 0.00 175.30 174.25 1p88 s LEU 153 N 1.34 4.28 0.00 2.53 1.43 0.43 -1.55 118.68 127.14 1p88 s LEU 153 Ca 0.04 0.96 0.08 0.00 -1.03 0.00 0.00 54.13 54.19 1p88 s LEU 153 Cb -0.24 -3.36 0.14 0.00 0.03 0.00 0.00 46.19 42.76 1p88 s LEU 153 CO -0.00 0.05 0.96 0.00 0.23 0.00 0.00 176.35 177.59 1p88 n GLN 154 N 0.48 0.00 -0.03 1.70 6.02 -0.44 -0.38 117.38 124.73 1p88 n GLN 154 Ca -0.04 -1.13 0.00 0.00 -0.01 0.00 0.00 57.00 55.82 1p88 n GLN 154 Cb 0.52 0.01 -0.00 0.00 1.02 0.00 0.00 30.24 31.79 1p88 n GLN 154 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1p88 n GLY 155 N 0.16 -0.70 0.00 1.08 0.00 -1.22 -3.75 105.19 100.75 1p88 n GLY 155 Ca -0.05 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1p88 n GLY 155 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p88 n GLY 156 N -0.09 1.89 3.68 -0.02 0.00 0.18 -1.04 105.19 109.80 1p88 n GLY 156 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1p88 n GLY 156 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1p88 n PHE 157 N -0.52 2.51 -0.02 1.61 7.35 0.21 -3.88 117.46 124.71 1p88 n PHE 157 Ca 0.00 -0.12 -0.02 0.00 -0.76 0.00 0.00 57.45 56.55 1p88 n PHE 157 Cb 0.00 -2.71 -0.02 0.00 0.35 0.00 0.00 39.48 37.10 1p88 n PHE 157 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1p88 n THR 158 N 4.82 0.21 0.00 -2.13 -2.24 0.27 -4.55 114.28 110.67 1p88 n THR 158 Ca 0.19 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 1p88 n THR 158 Cb 0.35 -0.82 0.00 0.00 -2.10 0.00 0.00 70.33 67.77 1p88 n THR 158 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1p88 n GLY 159 N 2.99 0.95 0.00 3.38 0.00 0.84 0.13 105.19 113.48 1p88 n GLY 159 Ca -0.06 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.05 1p88 n GLY 159 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p88 n GLY 160 N 0.00 2.50 3.60 -0.02 0.00 -0.75 -4.09 105.19 106.43 1p88 n GLY 160 Ca 0.00 -1.81 -0.57 0.00 0.00 0.00 0.00 46.02 43.63 1p88 n GLY 160 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1p88 n ASN 161 N 0.00 2.03 -4.49 1.61 6.94 -1.26 -3.64 115.26 116.44 1p88 n ASN 161 Ca 0.00 0.89 -0.34 0.00 -0.02 0.00 0.00 54.58 55.11 1p88 n ASN 161 Cb 0.00 -1.11 -0.12 0.00 -2.36 0.00 0.00 39.78 36.18 1p88 n ASN 161 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1p88 s VAL 162 N 4.66 3.81 -0.27 3.53 1.01 0.50 -4.76 120.40 128.87 1p88 s VAL 162 Ca 1.04 -0.39 -0.12 0.00 0.00 0.00 0.00 61.98 62.51 1p88 s VAL 162 Cb -1.12 -2.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 1p88 s VAL 162 CO 0.64 0.50 0.22 -1.81 0.00 0.00 0.00 175.10 174.65 1p88 s ASP 163 N 0.28 6.07 -0.08 3.32 1.01 -1.26 -0.63 116.67 125.37 1p88 s ASP 163 Ca -0.04 0.06 -0.01 0.00 0.71 0.00 0.00 52.55 53.27 1p88 s ASP 163 Cb -0.14 -2.14 0.03 0.00 1.01 0.00 0.00 42.92 41.68 1p88 s ASP 163 CO 0.03 -0.07 -0.02 -0.69 0.21 0.00 0.00 175.17 174.63 1p88 s VAL 164 N 1.77 0.56 0.36 -1.27 1.01 -0.56 -4.41 120.40 117.86 1p88 s VAL 164 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 61.98 61.81 1p88 s VAL 164 Cb -0.16 -0.68 -0.12 0.00 0.00 0.00 0.00 36.38 35.42 1p88 s VAL 164 CO 0.10 0.29 1.06 -0.67 0.00 0.00 0.00 175.10 175.89 1p88 n ASP 165 N 5.09 1.56 0.09 3.32 -0.08 -1.26 -2.67 116.55 122.60 1p88 n ASP 165 Ca -0.09 1.11 -0.13 0.00 -1.51 0.00 0.00 54.79 54.18 1p88 n ASP 165 Cb 0.50 -1.36 -0.07 0.00 2.34 0.00 0.00 41.12 42.53 1p88 n ASP 165 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1p88 h GLY 166 N 1.88 -0.16 -7.36 0.27 0.00 -1.39 -3.36 103.07 92.94 1p88 h GLY 166 Ca -0.43 0.07 -0.71 0.00 0.00 0.00 0.00 47.33 46.26 1p88 h GLY 166 CO 0.59 -0.07 0.31 -0.45 0.00 0.00 0.00 176.54 176.92 1p88 s SER 167 N -5.04 6.40 -0.32 0.19 0.15 -1.23 0.10 113.70 113.94 1p88 s SER 167 Ca -0.14 -1.79 0.04 0.00 0.70 0.00 0.00 55.95 54.76 1p88 s SER 167 Cb 0.06 -2.31 0.31 0.00 -1.71 0.00 0.00 66.02 62.37 1p88 s SER 167 CO 0.65 -1.02 1.39 0.55 1.20 0.00 0.00 173.24 176.02 1p88 n VAL 168 N 5.26 0.00 -1.56 4.45 3.14 -1.26 -4.99 118.33 123.37 1p88 n VAL 168 Ca 0.03 -0.64 0.00 0.00 -2.96 0.00 0.00 64.34 60.77 1p88 n VAL 168 Cb 0.45 1.04 0.00 0.00 -1.06 0.00 0.00 33.84 34.27 1p88 n VAL 168 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1p88 n SER 169 N 0.43 -8.27 0.21 6.55 7.64 -1.26 -4.41 113.62 114.50 1p88 n SER 169 Ca -0.07 1.13 0.15 0.00 1.01 0.00 0.00 58.87 61.09 1p88 n SER 169 Cb 0.75 -4.11 0.58 0.00 -1.01 0.00 0.00 64.21 60.42 1p88 n SER 169 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1p88 h SER 170 N 2.49 0.00 0.88 6.43 0.87 -1.89 -2.77 113.55 119.56 1p88 h SER 170 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1p88 h SER 170 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1p88 h SER 170 CO 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.30 1p88 n GLN 171 N -2.70 0.03 -0.02 2.24 3.00 -1.26 -2.11 117.38 116.56 1p88 n GLN 171 Ca 0.02 0.11 -0.13 0.00 -0.01 0.00 0.00 57.00 56.99 1p88 n GLN 171 Cb 0.29 -1.54 -0.10 0.00 0.00 0.00 0.00 30.24 28.88 1p88 n GLN 171 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.06 177.80 1p88 h PHE 172 N 0.00 -0.02 -0.30 1.08 -1.00 -1.70 -1.10 116.94 113.90 1p88 h PHE 172 Ca 0.00 -0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.69 1p88 h PHE 172 Cb 0.44 0.01 -0.01 0.00 3.61 0.00 0.00 35.95 40.00 1p88 h PHE 172 CO 0.00 0.58 -0.17 -0.07 -1.61 0.00 0.00 178.31 177.04 1p88 h LEU 173 N -0.65 0.67 -1.47 1.54 3.38 -1.74 -2.61 115.31 114.44 1p88 h LEU 173 Ca -0.00 -0.42 0.15 0.00 0.09 0.00 0.00 57.88 57.70 1p88 h LEU 173 Cb 0.61 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.12 1p88 h LEU 173 CO 0.00 0.94 0.54 0.74 0.09 0.00 0.00 178.44 180.75 1p88 h THR 174 N 0.40 0.80 -0.36 0.22 2.02 -1.47 0.59 112.91 115.10 1p88 h THR 174 Ca 0.06 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 67.04 1p88 h THR 174 Cb 0.70 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 1p88 h THR 174 CO 0.05 0.09 0.12 0.00 0.37 0.00 0.00 175.52 176.15 1p88 h ALA 175 N 1.63 0.48 0.01 6.16 0.00 -0.81 -2.30 119.26 124.42 1p88 h ALA 175 Ca 0.41 -0.16 -0.21 0.00 0.00 0.00 0.00 54.91 54.95 1p88 h ALA 175 Cb 0.83 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1p88 h ALA 175 CO -0.15 0.11 -0.92 -0.07 0.00 0.00 0.00 179.25 178.22 1p88 h LEU 176 N 0.44 0.28 -1.10 0.00 3.38 -0.88 -2.19 115.31 115.24 1p88 h LEU 176 Ca 0.12 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.86 1p88 h LEU 176 Cb 0.24 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 1p88 h LEU 176 CO -0.00 1.06 0.61 -0.07 0.09 0.00 0.00 178.44 180.12 1p88 h LEU 177 N 0.11 1.05 0.14 1.67 4.07 0.24 0.66 115.31 123.24 1p88 h LEU 177 Ca -0.05 -0.03 -0.21 0.00 0.08 0.00 0.00 57.88 57.67 1p88 h LEU 177 Cb 1.56 -0.26 0.02 0.00 1.08 0.00 0.00 40.66 43.06 1p88 h LEU 177 CO 0.14 0.76 -0.97 0.24 -1.08 0.00 0.00 178.44 177.53 1p88 h MET 178 N 1.24 0.29 -0.26 1.13 2.86 -1.42 -3.35 114.93 115.42 1p88 h MET 178 Ca 0.34 -0.49 -0.17 0.00 -2.06 0.00 0.00 59.70 57.32 1p88 h MET 178 Cb -0.14 0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.70 1p88 h MET 178 CO -0.07 1.23 -0.50 1.15 1.06 0.00 0.00 176.91 179.78 1p88 h THR 179 N -0.36 1.29 -0.99 2.22 2.02 -1.29 -3.34 112.91 112.46 1p88 h THR 179 Ca -0.19 -1.70 0.01 0.00 0.77 0.00 0.00 66.41 65.31 1p88 h THR 179 Cb 1.68 1.71 -0.05 0.00 -1.74 0.00 0.00 68.15 69.75 1p88 h THR 179 CO 0.13 0.55 0.66 0.00 0.37 0.00 0.00 175.52 177.22 1p88 h ALA 180 N 0.65 1.30 0.00 6.16 0.00 0.16 -2.60 119.26 124.93 1p88 h ALA 180 Ca 0.01 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1p88 h ALA 180 Cb 1.11 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1p88 h ALA 180 CO 0.11 0.65 -0.24 -1.00 0.00 0.00 0.00 179.25 178.77 1p88 h PRO 181 N 1.34 0.00 -0.01 0.00 0.13 -1.69 0.10 132.00 131.87 1p88 h PRO 181 Ca 0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.50 1p88 h PRO 181 Cb -0.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 30.98 1p88 h PRO 181 CO -0.08 0.24 0.00 1.28 -0.23 0.00 0.00 178.00 179.21 1p88 n LEU 182 N -4.05 0.62 -4.75 1.56 4.77 -1.00 0.21 117.00 114.36 1p88 n LEU 182 Ca -0.02 -0.21 -0.40 0.00 -0.03 0.00 0.00 56.01 55.35 1p88 n LEU 182 Cb 0.31 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.34 1p88 n LEU 182 CO 0.36 0.11 0.53 0.00 -1.33 0.00 0.00 177.39 177.05 1p88 s ALA 183 N -1.99 3.36 0.46 -1.18 0.00 0.35 -4.36 121.76 118.41 1p88 s ALA 183 Ca 0.42 0.39 0.24 0.00 0.00 0.00 0.00 51.96 53.02 1p88 s ALA 183 Cb 0.21 -3.06 1.26 0.00 0.00 0.00 0.00 23.12 21.53 1p88 s ALA 183 CO 0.34 0.12 1.83 -1.00 0.00 0.00 0.00 175.76 177.05 1p88 h PRO 184 N 5.14 0.24 -6.22 0.00 0.13 -1.66 1.90 132.00 131.52 1p88 h PRO 184 Ca -0.45 -0.01 -0.69 0.00 -0.87 0.00 0.00 66.00 63.98 1p88 h PRO 184 Cb 1.21 -0.05 -0.22 0.00 0.13 0.00 0.00 31.00 32.06 1p88 h PRO 184 CO 0.69 0.16 -0.74 -1.21 -0.23 0.00 0.00 178.00 176.67 1p88 s GLU 185 N -5.27 2.63 0.45 0.86 8.01 0.35 -4.09 118.70 121.63 1p88 s GLU 185 Ca -0.07 -0.64 -0.24 0.00 0.01 0.00 0.00 54.97 54.03 1p88 s GLU 185 Cb 0.23 -2.47 -0.09 0.00 -4.31 0.00 0.00 34.13 27.49 1p88 s GLU 185 CO 0.79 0.62 1.15 -3.47 0.01 0.00 0.00 175.26 174.36 1p88 n ASP 186 N 2.33 1.93 -4.36 -0.19 -0.08 -1.26 -3.92 116.55 111.00 1p88 n ASP 186 Ca -0.17 1.04 -0.28 0.00 -1.51 0.00 0.00 54.79 53.87 1p88 n ASP 186 Cb 0.52 -1.44 -0.13 0.00 2.34 0.00 0.00 41.12 42.41 1p88 n ASP 186 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1p88 s THR 187 N -1.26 2.11 -0.13 5.18 2.01 0.22 -1.81 115.64 121.96 1p88 s THR 187 Ca 0.64 -1.64 -0.01 0.00 0.31 0.00 0.00 61.69 60.99 1p88 s THR 187 Cb -0.51 -1.87 0.03 0.00 0.01 0.00 0.00 72.50 70.17 1p88 s THR 187 CO 0.56 0.10 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.85 1p88 s VAL 188 N -1.03 0.95 -0.28 3.82 1.01 -1.24 -0.80 120.40 122.83 1p88 s VAL 188 Ca 0.12 -0.37 -0.11 0.00 0.00 0.00 0.00 61.98 61.62 1p88 s VAL 188 Cb -0.10 -1.07 -0.05 0.00 0.00 0.00 0.00 36.38 35.17 1p88 s VAL 188 CO 0.05 0.24 0.19 -0.63 0.00 0.00 0.00 175.10 174.94 1p88 s ILE 189 N 1.72 5.27 -0.23 2.22 1.09 0.05 0.19 121.20 131.51 1p88 s ILE 189 Ca 0.03 0.14 -0.10 0.00 -1.10 0.00 0.00 60.65 59.62 1p88 s ILE 189 Cb -0.14 -3.52 -0.05 0.00 -1.06 0.00 0.00 42.46 37.70 1p88 s ILE 189 CO -0.08 0.24 0.14 -0.60 -0.10 0.00 0.00 174.94 174.55 1p88 s ARG 190 N 1.75 4.04 -0.20 2.79 3.52 0.19 0.22 118.95 131.27 1p88 s ARG 190 Ca 0.07 -0.29 -0.16 0.00 -0.13 0.00 0.00 55.73 55.22 1p88 s ARG 190 Cb -0.16 -3.48 -0.04 0.00 -1.56 0.00 0.00 34.95 29.71 1p88 s ARG 190 CO 0.11 0.08 0.41 0.42 -0.81 0.00 0.00 175.30 175.51 1p88 s ILE 191 N 0.97 5.19 -0.80 4.11 1.09 -1.25 -1.50 121.20 129.01 1p88 s ILE 191 Ca 0.07 0.74 -0.26 0.00 -1.10 0.00 0.00 60.65 60.10 1p88 s ILE 191 Cb -0.13 -3.74 0.02 0.00 -1.06 0.00 0.00 42.46 37.55 1p88 s ILE 191 CO 0.04 0.24 1.45 -0.54 -0.10 0.00 0.00 174.94 176.03 1p88 s LYS 192 N 1.34 3.17 1.13 2.79 1.02 -1.09 -4.60 119.74 123.50 1p88 s LYS 192 Ca 0.20 -0.34 0.00 0.00 0.02 0.00 0.00 55.97 55.84 1p88 s LYS 192 Cb -0.15 -4.56 0.00 0.00 -0.52 0.00 0.00 37.83 32.60 1p88 s LYS 192 CO 0.08 -2.33 0.00 0.41 -0.92 0.00 0.00 175.35 172.60 1p88 n GLY 193 N 5.90 0.95 3.32 -3.33 0.00 -1.26 -1.22 105.19 109.55 1p88 n GLY 193 Ca 0.15 -1.20 -0.32 0.00 0.00 0.00 0.00 46.02 44.65 1p88 n GLY 193 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1p88 s ASP 194 N -4.00 3.65 0.34 1.61 1.11 -1.26 -4.78 116.67 113.34 1p88 s ASP 194 Ca 0.00 -0.41 -0.24 0.00 0.18 0.00 0.00 52.55 52.08 1p88 s ASP 194 Cb 0.00 -1.46 -0.15 0.00 1.07 0.00 0.00 42.92 42.38 1p88 s ASP 194 CO 0.00 0.18 0.35 0.18 1.18 0.00 0.00 175.17 177.06 1p88 n LEU 195 N 3.42 -1.60 0.16 1.23 4.77 -1.24 -3.56 117.00 120.17 1p88 n LEU 195 Ca -0.18 0.94 0.02 0.00 -0.03 0.00 0.00 56.01 56.76 1p88 n LEU 195 Cb 0.53 -0.97 0.24 0.00 -2.33 0.00 0.00 43.42 40.89 1p88 n LEU 195 CO 0.29 -3.45 0.58 1.62 -1.33 0.00 0.00 177.39 175.10 1p88 h VAL 196 N 0.70 1.20 0.00 4.08 3.04 0.35 -3.41 116.25 122.21 1p88 h VAL 196 Ca -0.35 -1.86 -0.15 0.00 -1.01 0.00 0.00 66.70 63.33 1p88 h VAL 196 Cb 1.43 2.05 -0.13 0.00 -2.01 0.00 0.00 31.29 32.63 1p88 h VAL 196 CO 0.51 0.50 -0.21 -0.24 -1.01 0.00 0.00 177.57 177.12 1p88 n SER 197 N -3.68 -1.91 -0.34 3.17 2.88 -1.26 -4.86 113.62 107.61 1p88 n SER 197 Ca -0.01 -2.62 0.14 0.00 -1.33 0.00 0.00 58.87 55.05 1p88 n SER 197 Cb 0.57 1.38 0.28 0.00 -0.75 0.00 0.00 64.21 65.69 1p88 n SER 197 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1p88 h LYS 198 N 3.08 0.01 -1.16 -1.46 3.11 -1.98 0.87 116.57 119.05 1p88 h LYS 198 Ca -0.20 -0.00 0.33 0.00 -2.81 0.00 0.00 60.65 57.96 1p88 h LYS 198 Cb 1.14 -0.00 -0.08 0.00 -1.00 0.00 0.00 32.23 32.29 1p88 h LYS 198 CO 0.06 0.01 0.78 -1.35 -2.81 0.00 0.00 179.45 176.14 1p88 h PRO 199 N 0.01 0.19 -0.35 1.90 0.11 -1.98 1.12 132.00 133.01 1p88 h PRO 199 Ca 0.59 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 66.56 1p88 h PRO 199 Cb 1.19 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1p88 h PRO 199 CO -0.91 0.13 -0.26 1.88 -0.21 0.00 0.00 178.00 178.62 1p88 h TYR 200 N 0.20 0.92 -0.62 0.65 0.05 0.37 -2.55 116.97 115.99 1p88 h TYR 200 Ca 0.62 -0.26 -0.07 0.00 0.05 0.00 0.00 58.73 59.08 1p88 h TYR 200 Cb 1.99 -0.20 -0.03 0.00 1.01 0.00 0.00 36.73 39.50 1p88 h TYR 200 CO -0.00 1.02 0.12 0.82 -1.05 0.00 0.00 178.16 179.06 1p88 h ILE 201 N 0.56 1.25 -0.65 -2.88 1.08 0.12 -1.59 117.51 115.41 1p88 h ILE 201 Ca 0.07 -0.96 0.05 0.00 -0.39 0.00 0.00 64.86 63.63 1p88 h ILE 201 Cb 0.82 0.65 -0.05 0.00 -3.07 0.00 0.00 36.82 35.17 1p88 h ILE 201 CO 0.07 0.36 0.37 0.44 -0.69 0.00 0.00 178.15 178.70 1p88 h ASP 202 N 0.94 0.56 -0.10 1.72 3.32 -0.13 0.44 116.42 123.17 1p88 h ASP 202 Ca 0.19 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.26 1p88 h ASP 202 Cb 0.39 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 1p88 h ASP 202 CO 0.01 0.37 0.04 0.40 -1.72 0.00 0.00 179.24 178.34 1p88 h ILE 203 N 0.69 1.13 -0.20 0.35 2.04 -1.12 -1.48 117.51 118.91 1p88 h ILE 203 Ca 0.29 -0.38 0.05 0.00 1.00 0.00 0.00 64.86 65.81 1p88 h ILE 203 Cb 0.15 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 37.38 1p88 h ILE 203 CO -0.17 0.11 -0.13 0.74 0.00 0.00 0.00 178.15 178.71 1p88 h THR 204 N 0.02 0.62 -0.07 -0.27 2.02 -0.52 2.26 112.91 116.96 1p88 h THR 204 Ca 0.03 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.15 1p88 h THR 204 Cb 0.14 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1p88 h THR 204 CO -0.00 0.00 -0.25 -0.07 0.37 0.00 0.00 175.52 175.57 1p88 h LEU 205 N -0.12 0.12 0.04 2.58 3.38 -0.87 1.89 115.31 122.33 1p88 h LEU 205 Ca 0.12 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.94 1p88 h LEU 205 Cb 0.30 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.02 1p88 h LEU 205 CO -0.28 0.38 -0.48 -1.13 0.09 0.00 0.00 178.44 177.02 1p88 h ASN 206 N 0.12 0.35 0.46 -0.43 -1.24 -0.23 0.80 115.58 115.41 1p88 h ASN 206 Ca 0.02 -0.85 -0.11 0.00 0.71 0.00 0.00 56.30 56.07 1p88 h ASN 206 Cb 0.51 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.44 1p88 h ASN 206 CO 0.04 1.16 -0.49 0.25 -1.29 0.00 0.00 177.43 177.10 1p88 h LEU 207 N -0.41 0.05 -0.20 0.34 5.85 0.40 -2.04 115.31 119.29 1p88 h LEU 207 Ca -0.07 -0.02 -0.22 0.00 0.84 0.00 0.00 57.88 58.41 1p88 h LEU 207 Cb 1.27 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.28 1p88 h LEU 207 CO 0.09 0.53 -0.94 0.24 -0.34 0.00 0.00 178.44 178.03 1p88 h MET 208 N 0.04 0.29 -0.79 1.25 2.86 0.29 -3.19 114.93 115.68 1p88 h MET 208 Ca -0.00 -0.33 -0.01 0.00 -2.06 0.00 0.00 59.70 57.30 1p88 h MET 208 Cb 0.88 0.10 -0.04 0.00 0.06 0.00 0.00 31.60 32.60 1p88 h MET 208 CO 0.07 1.04 0.46 0.87 1.06 0.00 0.00 176.91 180.41 1p88 h LYS 209 N 0.16 1.07 -0.32 1.72 1.57 -0.32 -0.56 116.57 119.89 1p88 h LYS 209 Ca -0.07 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 1p88 h LYS 209 Cb 1.58 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 33.65 1p88 h LYS 209 CO 0.15 0.76 0.16 0.00 -0.57 0.00 0.00 179.45 179.95 1p88 h THR 210 N 1.09 1.11 0.00 -0.16 1.03 -1.37 0.11 112.91 114.72 1p88 h THR 210 Ca 0.28 -0.30 0.00 0.00 -0.01 0.00 0.00 66.41 66.38 1p88 h THR 210 Cb -0.03 0.69 0.00 0.00 -1.07 0.00 0.00 68.15 67.75 1p88 h THR 210 CO -0.05 0.12 0.00 0.49 -0.01 0.00 0.00 175.52 176.07 1p88 n PHE 211 N -4.44 0.00 0.00 0.00 3.72 -0.24 -4.25 117.46 112.24 1p88 n PHE 211 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 1p88 n PHE 211 Cb 0.11 -0.30 0.00 0.00 -0.94 0.00 0.00 39.48 38.35 1p88 n PHE 211 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1p88 n GLY 212 N 0.79 1.10 3.30 1.37 0.00 0.40 0.13 105.19 112.29 1p88 n GLY 212 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 1p88 n GLY 212 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1p88 s VAL 213 N -2.00 1.84 -0.02 1.61 -7.23 -1.06 -4.77 120.40 108.77 1p88 s VAL 213 Ca 0.00 -1.51 0.04 0.00 -1.81 0.00 0.00 61.98 58.70 1p88 s VAL 213 Cb 0.00 -1.64 -0.01 0.00 0.56 0.00 0.00 36.38 35.29 1p88 s VAL 213 CO 0.00 0.05 -0.13 -1.61 -0.31 0.00 0.00 175.10 173.11 1p88 s GLU 214 N -1.74 1.13 0.10 4.82 2.02 -1.26 -2.29 118.70 121.48 1p88 s GLU 214 Ca 0.09 -0.45 0.10 0.00 0.02 0.00 0.00 54.97 54.72 1p88 s GLU 214 Cb -0.10 -1.07 -0.04 0.00 0.10 0.00 0.00 34.13 33.03 1p88 s GLU 214 CO 0.04 0.24 -0.24 0.42 0.02 0.00 0.00 175.26 175.74 1p88 s ILE 215 N -0.17 2.01 -0.29 -1.63 -1.09 -1.26 -4.50 121.20 114.28 1p88 s ILE 215 Ca 0.02 -1.58 -0.09 0.00 -2.23 0.00 0.00 60.65 56.77 1p88 s ILE 215 Cb -0.07 -1.78 -0.02 0.00 -1.58 0.00 0.00 42.46 39.01 1p88 s ILE 215 CO -0.00 0.10 0.14 -0.70 -1.23 0.00 0.00 174.94 173.24 1p88 s GLU 216 N -1.80 3.55 0.39 2.79 2.56 0.24 -4.93 118.70 121.51 1p88 s GLU 216 Ca 0.11 -0.57 -0.17 0.00 0.00 0.00 0.00 54.97 54.34 1p88 s GLU 216 Cb -0.10 -3.52 -0.09 0.00 2.00 0.00 0.00 34.13 32.42 1p88 s GLU 216 CO 0.04 -0.30 0.85 0.54 -0.56 0.00 0.00 175.26 175.83 1p88 s ASN 217 N 1.65 6.79 0.00 -1.70 2.20 -1.26 0.14 114.94 122.75 1p88 s ASN 217 Ca 0.06 1.45 0.00 0.00 -0.94 0.00 0.00 52.86 53.42 1p88 s ASN 217 Cb -0.16 -2.44 0.00 0.00 -2.00 0.00 0.00 41.25 36.64 1p88 s ASN 217 CO 0.06 -0.33 0.00 0.00 -2.94 0.00 0.00 177.10 173.89 1p88 n GLN 218 N -0.73 3.41 -1.17 3.55 1.13 0.17 -4.89 117.38 118.85 1p88 n GLN 218 Ca 0.05 0.00 -0.36 0.00 -1.94 0.00 0.00 57.00 54.75 1p88 n GLN 218 Cb 0.54 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.86 1p88 n GLN 218 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 1p88 n HIS 219 N 0.00 2.14 -3.12 1.08 -0.00 -1.26 -4.25 115.22 109.80 1p88 n HIS 219 Ca 0.00 -2.26 -0.22 0.00 0.46 0.00 0.00 57.72 55.70 1p88 n HIS 219 Cb 0.00 -1.97 0.02 0.00 -0.12 0.00 0.00 29.99 27.92 1p88 n HIS 219 CO 0.00 0.00 0.00 0.98 0.46 0.00 0.00 176.34 177.78 1p88 n TYR 220 N 5.76 -1.89 0.00 1.57 9.36 -1.26 -4.77 117.16 125.93 1p88 n TYR 220 Ca 0.52 0.49 0.00 0.00 3.32 0.00 0.00 57.90 62.23 1p88 n TYR 220 Cb 0.30 -3.92 0.00 0.00 -0.63 0.00 0.00 39.34 35.09 1p88 n TYR 220 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1p88 n GLN 221 N -3.90 0.00 0.00 2.98 10.64 -1.26 -3.71 117.38 122.14 1p88 n GLN 221 Ca -0.08 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.09 1p88 n GLN 221 Cb 0.59 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.97 1p88 n GLN 221 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 1p88 n GLN 222 N 0.00 0.00 -4.90 2.61 6.02 -1.19 -3.71 117.38 116.21 1p88 n GLN 222 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 57.00 56.73 1p88 n GLN 222 Cb 0.00 0.00 -0.16 0.00 1.02 0.00 0.00 30.24 31.10 1p88 n GLN 222 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1p88 s PHE 223 N 0.00 1.75 -0.24 1.08 0.40 0.61 0.44 117.98 122.02 1p88 s PHE 223 Ca 0.00 -0.43 0.00 0.00 -0.60 0.00 0.00 56.93 55.90 1p88 s PHE 223 Cb 0.00 -1.16 0.04 0.00 0.51 0.00 0.00 43.02 42.41 1p88 s PHE 223 CO 0.00 -0.11 -0.10 0.08 0.70 0.00 0.00 175.22 175.79 1p88 s VAL 224 N -0.18 2.54 -0.16 -0.44 1.01 0.36 -0.77 120.40 122.75 1p88 s VAL 224 Ca 0.01 -1.21 0.01 0.00 0.00 0.00 0.00 61.98 60.79 1p88 s VAL 224 Cb -0.10 -2.32 0.02 0.00 0.00 0.00 0.00 36.38 33.98 1p88 s VAL 224 CO 0.01 0.18 -0.17 0.54 0.00 0.00 0.00 175.10 175.65 1p88 s VAL 225 N 1.25 1.82 0.00 2.92 0.11 0.02 0.82 120.40 127.34 1p88 s VAL 225 Ca -0.02 -0.79 -0.30 0.00 -2.93 0.00 0.00 61.98 57.94 1p88 s VAL 225 Cb -0.17 -1.66 -0.04 0.00 -1.53 0.00 0.00 36.38 32.97 1p88 s VAL 225 CO -0.06 0.50 1.21 -0.54 -3.33 0.00 0.00 175.10 172.88 1p88 s LYS 226 N 1.32 4.38 0.13 1.54 1.02 -1.26 -0.61 119.74 126.27 1p88 s LYS 226 Ca 0.03 1.73 -0.02 0.00 0.02 0.00 0.00 55.97 57.74 1p88 s LYS 226 Cb -0.13 -3.47 0.03 0.00 -0.52 0.00 0.00 37.83 33.74 1p88 s LYS 226 CO -0.10 -0.37 0.18 0.41 -0.92 0.00 0.00 175.35 174.54 1p88 n GLY 227 N 3.32 -1.18 2.54 -3.33 0.00 -1.26 -4.28 105.19 101.01 1p88 n GLY 227 Ca 0.10 -1.68 -0.19 0.00 0.00 0.00 0.00 46.02 44.25 1p88 n GLY 227 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p88 n GLY 228 N 3.85 1.61 1.36 -0.02 0.00 0.64 -4.83 105.19 107.81 1p88 n GLY 228 Ca 0.02 -0.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 1p88 n GLY 228 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1p88 n GLN 229 N -2.49 -0.42 -3.71 1.61 6.02 0.57 -4.96 117.38 114.01 1p88 n GLN 229 Ca -0.20 -0.74 -0.14 0.00 -0.01 0.00 0.00 57.00 55.91 1p88 n GLN 229 Cb 0.64 -0.47 -0.08 0.00 1.02 0.00 0.00 30.24 31.35 1p88 n GLN 229 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1p88 s SER 230 N -2.70 -0.33 -0.19 1.08 0.15 -1.26 -4.55 113.70 105.89 1p88 s SER 230 Ca 0.26 0.38 -0.09 0.00 0.70 0.00 0.00 55.95 57.20 1p88 s SER 230 Cb -0.01 0.48 -0.05 0.00 -1.71 0.00 0.00 66.02 64.74 1p88 s SER 230 CO 0.18 -0.41 0.12 -0.31 1.20 0.00 0.00 173.24 174.03 1p88 s TYR 231 N -0.94 3.38 0.08 3.44 2.02 -1.26 -4.50 117.35 119.58 1p88 s TYR 231 Ca -0.10 0.28 0.10 0.00 -0.37 0.00 0.00 57.07 56.98 1p88 s TYR 231 Cb -0.04 -2.14 -0.03 0.00 -0.40 0.00 0.00 41.96 39.35 1p88 s TYR 231 CO 0.04 0.27 -0.25 -0.65 -1.57 0.00 0.00 175.55 173.39 1p88 s GLN 232 N 0.33 1.56 -0.34 -0.62 1.11 0.35 0.15 119.66 122.19 1p88 s GLN 232 Ca 0.07 -1.17 -0.29 0.00 0.01 0.00 0.00 55.36 53.98 1p88 s GLN 232 Cb -0.11 -1.85 -0.01 0.00 -1.01 0.00 0.00 33.01 30.04 1p88 s GLN 232 CO -0.01 0.46 1.58 -1.12 0.01 0.00 0.00 175.29 176.21 1p88 s SER 233 N -1.56 6.20 0.00 5.90 0.01 -0.88 -4.39 113.70 118.97 1p88 s SER 233 Ca 0.12 1.15 0.15 0.00 1.31 0.00 0.00 55.95 58.68 1p88 s SER 233 Cb -0.10 -2.53 0.91 0.00 0.21 0.00 0.00 66.02 64.50 1p88 s SER 233 CO 0.04 -1.49 1.33 -0.81 0.41 0.00 0.00 173.24 172.72 1p88 n PRO 234 N 8.10 0.46 0.00 12.44 -0.04 -1.26 -4.89 135.00 149.82 1p88 n PRO 234 Ca 0.19 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 1p88 n PRO 234 Cb 0.47 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 1p88 n PRO 234 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1p88 n GLY 235 N -0.04 0.93 3.30 0.55 0.00 -1.26 -4.89 105.19 103.77 1p88 n GLY 235 Ca 0.11 -0.78 -0.32 0.00 0.00 0.00 0.00 46.02 45.04 1p88 n GLY 235 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1p88 s THR 236 N 0.00 2.22 -0.06 2.61 2.01 -1.26 0.19 115.64 121.35 1p88 s THR 236 Ca 0.00 -1.01 0.02 0.00 0.31 0.00 0.00 61.69 61.01 1p88 s THR 236 Cb 0.00 -1.82 0.02 0.00 0.01 0.00 0.00 72.50 70.71 1p88 s THR 236 CO 0.00 0.57 -0.09 -0.47 -0.69 0.00 0.00 174.62 173.94 1p88 s TYR 237 N -0.20 1.15 -0.41 4.92 6.14 0.62 -4.87 117.35 124.70 1p88 s TYR 237 Ca -0.02 -0.39 -0.18 0.00 0.64 0.00 0.00 57.07 57.11 1p88 s TYR 237 Cb -0.13 -0.89 0.02 0.00 0.42 0.00 0.00 41.96 41.37 1p88 s TYR 237 CO 0.03 -0.24 0.50 -1.17 0.64 0.00 0.00 175.55 175.31 1p88 s LEU 238 N 0.78 4.67 -0.43 6.97 1.98 -1.26 0.13 118.68 131.52 1p88 s LEU 238 Ca -0.13 -0.47 -0.27 0.00 -2.89 0.00 0.00 54.13 50.37 1p88 s LEU 238 Cb -0.15 -2.50 0.02 0.00 0.66 0.00 0.00 46.19 44.22 1p88 s LEU 238 CO 0.02 -0.61 1.01 -0.69 -1.89 0.00 0.00 176.35 174.19 1p88 s VAL 239 N 2.35 4.42 -2.02 1.68 1.01 0.18 -4.88 120.40 123.13 1p88 s VAL 239 Ca 0.16 1.13 0.32 0.00 0.00 0.00 0.00 61.98 63.59 1p88 s VAL 239 Cb -0.16 -4.46 0.89 0.00 0.00 0.00 0.00 36.38 32.65 1p88 s VAL 239 CO 0.15 -0.78 2.21 -0.62 0.00 0.00 0.00 175.10 176.06