#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 0.09 -3.46 3.02 -1.26 -3.11 115.26 110.53 1p88 n ASN 26 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.48 1p88 n ASN 26 Cb 0.00 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.12 1p88 n ASN 26 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1p88 h ARG 27 N 0.00 -0.30 -0.87 3.52 3.08 -1.96 -2.35 114.38 115.51 1p88 h ARG 27 Ca 0.00 0.02 0.20 0.00 0.07 0.00 0.00 59.98 60.27 1p88 h ARG 27 Cb 0.00 0.07 -0.16 0.00 0.08 0.00 0.00 29.97 29.96 1p88 h ARG 27 CO 0.00 -0.05 -0.10 0.00 -1.07 0.00 0.00 179.97 178.75 1p88 h ALA 28 N -0.83 0.77 -0.06 0.04 0.00 -1.93 0.56 119.26 117.82 1p88 h ALA 28 Ca -0.03 0.31 -0.15 0.00 0.00 0.00 0.00 54.91 55.05 1p88 h ALA 28 Cb 0.38 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1p88 h ALA 28 CO 0.05 -0.44 -0.61 -0.07 0.00 0.00 0.00 179.25 178.18 1p88 h LEU 29 N 0.03 0.24 0.01 0.00 3.38 -1.79 -1.20 115.31 115.98 1p88 h LEU 29 Ca 0.46 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.29 1p88 h LEU 29 Cb 0.80 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1p88 h LEU 29 CO -0.84 0.79 -0.01 0.25 0.09 0.00 0.00 178.44 178.73 1p88 h LEU 30 N 0.15 -0.01 -1.39 1.67 5.85 0.45 -2.09 115.31 119.94 1p88 h LEU 30 Ca -0.01 -0.42 -0.06 0.00 0.84 0.00 0.00 57.88 58.23 1p88 h LEU 30 Cb 1.11 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 1p88 h LEU 30 CO 0.09 0.42 -0.26 -0.07 -0.34 0.00 0.00 178.44 178.28 1p88 h LEU 31 N -0.45 0.00 -0.68 2.25 3.38 -0.31 0.62 115.31 120.13 1p88 h LEU 31 Ca -0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1p88 h LEU 31 Cb 0.44 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1p88 h LEU 31 CO 0.00 0.26 0.02 0.00 0.09 0.00 0.00 178.44 178.82 1p88 h ALA 32 N 1.74 0.89 0.21 1.53 0.00 -1.06 -1.59 119.26 120.98 1p88 h ALA 32 Ca -0.00 -0.30 -0.31 0.00 0.00 0.00 0.00 54.91 54.30 1p88 h ALA 32 Cb 0.61 -0.23 0.03 0.00 0.00 0.00 0.00 17.79 18.20 1p88 h ALA 32 CO 0.03 0.66 -1.39 0.00 0.00 0.00 0.00 179.25 178.55 1p88 h ALA 33 N 1.05 -0.07 0.00 0.00 0.00 -0.90 -3.19 119.26 116.14 1p88 h ALA 33 Ca 0.18 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 54.19 1p88 h ALA 33 Cb 0.52 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1p88 h ALA 33 CO 0.03 0.69 0.00 1.28 0.00 0.00 0.00 179.25 181.25 1p88 n LEU 34 N -3.80 0.00 -5.00 0.00 4.77 0.17 0.11 117.00 113.24 1p88 n LEU 34 Ca -0.18 0.23 -0.22 0.00 -0.03 0.00 0.00 56.01 55.80 1p88 n LEU 34 Cb 1.03 -0.23 0.09 0.00 -2.33 0.00 0.00 43.42 41.98 1p88 n LEU 34 CO 0.55 -0.14 0.47 0.00 -1.33 0.00 0.00 177.39 176.94 1p88 s ALA 35 N -2.46 4.04 -0.24 -1.18 0.00 -0.60 -0.98 121.76 120.34 1p88 s ALA 35 Ca 0.13 -1.84 0.00 0.00 0.00 0.00 0.00 51.96 50.25 1p88 s ALA 35 Cb 0.08 -1.83 0.03 0.00 0.00 0.00 0.00 23.12 21.40 1p88 s ALA 35 CO 0.17 -1.22 -0.10 -1.01 0.00 0.00 0.00 175.76 173.59 1p88 s HIS 36 N -2.97 3.06 -0.60 0.00 3.76 0.20 0.21 115.29 118.94 1p88 s HIS 36 Ca 0.64 -1.78 0.00 0.00 -0.15 0.00 0.00 55.06 53.78 1p88 s HIS 36 Cb -0.06 -2.00 0.00 0.00 1.11 0.00 0.00 32.58 31.64 1p88 s HIS 36 CO 0.42 -0.79 0.00 0.41 -0.85 0.00 0.00 174.74 173.93 1p88 n GLY 37 N 4.60 0.28 2.73 -2.22 0.00 -1.26 -2.50 105.19 106.82 1p88 n GLY 37 Ca -0.17 -1.68 -0.23 0.00 0.00 0.00 0.00 46.02 43.94 1p88 n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p88 s LYS 38 N -0.85 0.43 0.04 1.61 1.02 -1.26 0.39 119.74 121.12 1p88 s LYS 38 Ca 0.00 0.06 0.06 0.00 0.02 0.00 0.00 55.97 56.10 1p88 s LYS 38 Cb 0.00 -1.15 -0.02 0.00 -0.52 0.00 0.00 37.83 36.14 1p88 s LYS 38 CO 0.00 -0.40 -0.16 0.99 -0.92 0.00 0.00 175.35 174.87 1p88 s THR 39 N 2.01 1.26 -0.01 2.17 2.01 -1.02 -4.06 115.64 117.99 1p88 s THR 39 Ca 0.04 -1.07 0.02 0.00 0.31 0.00 0.00 61.69 60.99 1p88 s THR 39 Cb -0.13 -1.13 -0.03 0.00 0.01 0.00 0.00 72.50 71.22 1p88 s THR 39 CO -0.06 0.04 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.19 1p88 s VAL 40 N -0.86 3.91 -0.23 3.82 1.01 0.51 0.11 120.40 128.66 1p88 s VAL 40 Ca 0.03 -0.63 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 1p88 s VAL 40 Cb -0.08 -2.70 0.02 0.00 0.00 0.00 0.00 36.38 33.62 1p88 s VAL 40 CO 0.01 0.43 -0.08 -0.76 0.00 0.00 0.00 175.10 174.70 1p88 s LEU 41 N -1.36 2.99 0.10 3.92 2.01 0.21 0.21 118.68 126.76 1p88 s LEU 41 Ca 0.17 -0.80 0.03 0.00 0.01 0.00 0.00 54.13 53.53 1p88 s LEU 41 Cb -0.11 -1.64 -0.04 0.00 0.01 0.00 0.00 46.19 44.41 1p88 s LEU 41 CO 0.07 -0.10 0.15 0.28 1.01 0.00 0.00 176.35 177.76 1p88 s THR 42 N 1.33 4.83 -1.39 5.49 -1.32 0.32 -0.21 115.64 124.69 1p88 s THR 42 Ca 0.01 -0.73 0.00 0.00 -1.21 0.00 0.00 61.69 59.76 1p88 s THR 42 Cb -0.16 -3.38 0.00 0.00 -1.51 0.00 0.00 72.50 67.45 1p88 s THR 42 CO -0.06 0.06 0.00 -3.20 -2.21 0.00 0.00 174.62 169.21 1p88 n ASN 43 N 0.14 -4.63 -3.08 8.08 5.15 -0.71 0.43 115.26 120.64 1p88 n ASN 43 Ca -0.07 0.13 -0.05 0.00 -0.60 0.00 0.00 54.58 53.98 1p88 n ASN 43 Cb 0.52 -3.65 0.05 0.00 -0.53 0.00 0.00 39.78 36.17 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 -1.98 0.00 -4.42 1.20 4.77 0.39 -4.69 117.00 112.27 1p88 n LEU 44 Ca -0.17 -0.15 -0.33 0.00 -0.03 0.00 0.00 56.01 55.33 1p88 n LEU 44 Cb 0.58 -0.20 -0.14 0.00 -2.33 0.00 0.00 43.42 41.33 1p88 n LEU 44 CO 0.21 -1.66 -0.43 -0.22 -1.33 0.00 0.00 177.39 173.97 1p88 s LEU 45 N 0.00 2.84 -1.02 2.23 2.96 -1.26 -4.78 118.68 119.65 1p88 s LEU 45 Ca 0.12 -0.26 -0.17 0.00 -0.22 0.00 0.00 54.13 53.59 1p88 s LEU 45 Cb -0.02 -1.64 0.14 0.00 0.50 0.00 0.00 46.19 45.17 1p88 s LEU 45 CO 0.10 0.20 1.23 -0.62 -1.32 0.00 0.00 176.35 175.93 1p88 s ASP 46 N 0.17 6.76 -0.22 3.68 -1.08 -1.26 -4.42 116.67 120.30 1p88 s ASP 46 Ca -0.06 -2.33 -0.27 0.00 -0.52 0.00 0.00 52.55 49.37 1p88 s ASP 46 Cb -0.15 -2.40 0.10 0.00 -1.46 0.00 0.00 42.92 39.01 1p88 s ASP 46 CO 0.04 -0.97 0.90 -0.44 0.52 0.00 0.00 175.17 175.22 1p88 s SER 47 N 3.41 -0.54 0.39 -0.34 0.01 -1.26 -5.01 113.70 110.36 1p88 s SER 47 Ca 0.36 0.90 0.34 0.00 1.31 0.00 0.00 55.95 58.86 1p88 s SER 47 Cb -0.04 0.86 1.24 0.00 0.21 0.00 0.00 66.02 68.29 1p88 s SER 47 CO -0.06 -0.28 1.16 0.47 0.41 0.00 0.00 173.24 174.93 1p88 n ASP 48 N 1.85 0.04 -0.29 2.44 8.00 -1.26 0.22 116.55 127.55 1p88 n ASP 48 Ca -0.13 0.82 -0.01 0.00 0.71 0.00 0.00 54.79 56.17 1p88 n ASP 48 Cb 0.56 -0.41 0.11 0.00 -0.02 0.00 0.00 41.12 41.37 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 0.82 0.10 -2.24 3.04 -1.93 0.20 116.42 116.41 1p88 h ASP 49 Ca 0.69 0.01 -0.23 0.00 -3.24 0.00 0.00 57.03 54.26 1p88 h ASP 49 Cb 2.62 -0.17 -0.00 0.00 -1.04 0.00 0.00 39.33 40.74 1p88 h ASP 49 CO -0.10 0.54 -1.13 0.58 -2.04 0.00 0.00 179.24 177.09 1p88 h VAL 50 N 0.96 1.20 -1.01 4.15 2.07 0.24 -2.19 116.25 121.67 1p88 h VAL 50 Ca 0.34 -2.40 0.25 0.00 0.82 0.00 0.00 66.70 65.71 1p88 h VAL 50 Cb 0.09 2.84 -0.12 0.00 -1.52 0.00 0.00 31.29 32.57 1p88 h VAL 50 CO -0.14 0.66 0.60 -0.09 0.02 0.00 0.00 177.57 178.62 1p88 h ARG 51 N -0.45 0.54 0.06 1.57 2.43 -1.15 0.69 114.38 118.06 1p88 h ARG 51 Ca -0.24 -0.03 -0.24 0.00 -0.81 0.00 0.00 59.98 58.65 1p88 h ARG 51 Cb 1.62 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 31.03 1p88 h ARG 51 CO 0.05 0.35 -1.12 0.45 -1.51 0.00 0.00 179.97 178.20 1p88 h HIS 52 N 0.55 0.22 -0.74 2.20 3.86 -0.69 1.34 115.15 121.88 1p88 h HIS 52 Ca 0.65 -0.16 0.11 0.00 -1.16 0.00 0.00 60.37 59.81 1p88 h HIS 52 Cb 1.28 -0.01 -0.05 0.00 1.06 0.00 0.00 27.41 29.69 1p88 h HIS 52 CO -0.01 1.12 0.49 1.98 0.86 0.00 0.00 177.93 182.38 1p88 h MET 53 N 0.03 0.55 0.14 2.45 1.85 0.87 3.74 114.93 124.56 1p88 h MET 53 Ca -0.07 -0.03 -0.22 0.00 -0.61 0.00 0.00 59.70 58.77 1p88 h MET 53 Cb 1.86 -0.12 0.01 0.00 0.43 0.00 0.00 31.60 33.78 1p88 h MET 53 CO 0.16 0.36 -1.02 -0.07 -0.40 0.00 0.00 176.91 175.94 1p88 h LEU 54 N 0.57 0.45 -1.45 3.39 3.38 -0.28 -3.13 115.31 118.24 1p88 h LEU 54 Ca 0.35 -0.92 0.03 0.00 0.09 0.00 0.00 57.88 57.44 1p88 h LEU 54 Cb 0.60 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1p88 h LEU 54 CO -0.13 1.47 0.41 -1.13 0.09 0.00 0.00 178.44 179.16 1p88 h ASN 55 N -0.34 0.62 -0.26 -0.43 -0.73 0.44 1.48 115.58 116.35 1p88 h ASN 55 Ca -0.20 -0.01 -0.01 0.00 1.87 0.00 0.00 56.30 57.95 1p88 h ASN 55 Cb 1.69 -0.14 -0.01 0.00 0.27 0.00 0.00 38.32 40.13 1p88 h ASN 55 CO 0.12 0.43 0.11 0.00 -0.37 0.00 0.00 177.43 177.72 1p88 h ALA 56 N 1.64 0.34 -0.71 1.57 0.00 0.69 0.74 119.26 123.53 1p88 h ALA 56 Ca 0.25 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1p88 h ALA 56 Cb 0.09 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1p88 h ALA 56 CO -0.07 -0.07 0.21 -0.07 0.00 0.00 0.00 179.25 179.25 1p88 h LEU 57 N 0.28 1.03 -0.91 0.00 4.07 -1.17 -1.74 115.31 116.87 1p88 h LEU 57 Ca 0.09 -0.19 0.02 0.00 0.08 0.00 0.00 57.88 57.88 1p88 h LEU 57 Cb 0.17 -0.27 -0.05 0.00 1.08 0.00 0.00 40.66 41.59 1p88 h LEU 57 CO -0.01 0.96 0.60 0.74 -1.08 0.00 0.00 178.44 179.65 1p88 h THR 58 N 1.06 1.19 -0.25 0.22 2.02 0.30 0.98 112.91 118.42 1p88 h THR 58 Ca 0.23 -0.41 -0.18 0.00 0.77 0.00 0.00 66.41 66.83 1p88 h THR 58 Cb 0.31 -0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 66.61 1p88 h THR 58 CO -0.01 0.22 -0.54 0.00 0.37 0.00 0.00 175.52 175.56 1p88 h ALA 59 N 1.36 0.56 0.00 6.16 0.00 0.10 -3.02 119.26 124.42 1p88 h ALA 59 Ca 0.35 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1p88 h ALA 59 Cb -0.06 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1p88 h ALA 59 CO -0.10 0.68 0.00 -0.07 0.00 0.00 0.00 179.25 179.77 1p88 h LEU 60 N 0.58 0.00 0.00 0.00 3.38 -1.00 -3.42 115.31 114.85 1p88 h LEU 60 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1p88 h LEU 60 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1p88 h LEU 60 CO 0.11 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.25 1p88 n GLY 61 N 1.10 1.48 3.63 0.83 0.00 0.08 -4.24 105.19 108.07 1p88 n GLY 61 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.00 5.02 -0.09 1.61 1.01 0.32 -4.99 120.40 121.28 1p88 s VAL 62 Ca 0.00 1.05 -0.27 0.00 0.00 0.00 0.00 61.98 62.76 1p88 s VAL 62 Cb 0.00 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 1p88 s VAL 62 CO 0.00 0.06 0.86 -0.44 0.00 0.00 0.00 175.10 175.58 1p88 s SER 63 N 1.45 7.12 0.29 3.32 0.01 -1.26 -4.29 113.70 120.34 1p88 s SER 63 Ca 0.25 1.36 -0.15 0.00 1.31 0.00 0.00 55.95 58.71 1p88 s SER 63 Cb -0.16 -2.49 0.01 0.00 0.21 0.00 0.00 66.02 63.60 1p88 s SER 63 CO 0.09 -0.29 0.62 -0.72 0.41 0.00 0.00 173.24 173.35 1p88 s TYR 64 N 1.43 0.18 0.05 2.43 1.13 -1.26 0.23 117.35 121.54 1p88 s TYR 64 Ca 0.43 -0.62 0.03 0.00 -1.41 0.00 0.00 57.07 55.50 1p88 s TYR 64 Cb -0.18 0.46 -0.02 0.00 -1.10 0.00 0.00 41.96 41.12 1p88 s TYR 64 CO 0.19 -1.19 -0.10 0.99 -2.51 0.00 0.00 175.55 172.93 1p88 s THR 65 N -3.62 0.75 -0.07 -3.49 2.01 0.50 -4.94 115.64 106.78 1p88 s THR 65 Ca 0.18 -1.08 0.04 0.00 0.31 0.00 0.00 61.69 61.14 1p88 s THR 65 Cb -0.03 -0.76 -0.02 0.00 0.01 0.00 0.00 72.50 71.70 1p88 s THR 65 CO 0.10 -0.27 -0.19 -0.22 -0.69 0.00 0.00 174.62 173.35 1p88 s LEU 66 N -1.48 2.40 0.00 4.42 2.96 -1.26 -0.27 118.68 125.44 1p88 s LEU 66 Ca -0.06 -0.38 -0.05 0.00 -0.22 0.00 0.00 54.13 53.42 1p88 s LEU 66 Cb -0.09 -1.47 0.08 0.00 0.50 0.00 0.00 46.19 45.21 1p88 s LEU 66 CO 0.01 0.26 0.20 -1.54 -1.32 0.00 0.00 176.35 173.96 1p88 n SER 67 N 2.85 -2.28 0.06 3.68 3.41 0.35 -4.91 113.62 116.78 1p88 n SER 67 Ca -0.17 -0.27 -0.21 0.00 -0.26 0.00 0.00 58.87 57.95 1p88 n SER 67 Cb 0.52 -0.22 -0.15 0.00 -0.26 0.00 0.00 64.21 64.10 1p88 n SER 67 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1p88 h ALA 68 N -2.33 -0.07 0.00 7.33 0.00 -2.00 -3.26 119.26 118.93 1p88 h ALA 68 Ca -0.09 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.04 1p88 h ALA 68 Cb 0.29 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1p88 h ALA 68 CO 0.05 0.50 0.00 -0.25 0.00 0.00 0.00 179.25 179.56 1p88 n ASP 69 N -4.02 0.00 -3.51 0.00 9.92 -1.26 -4.87 116.55 112.82 1p88 n ASP 69 Ca -0.16 -0.70 -0.20 0.00 -0.53 0.00 0.00 54.79 53.20 1p88 n ASP 69 Cb 0.89 0.00 0.08 0.00 -0.64 0.00 0.00 41.12 41.45 1p88 n ASP 69 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1p88 n ARG 70 N -0.97 -6.94 0.00 -1.24 1.74 -1.23 -4.87 116.66 103.15 1p88 n ARG 70 Ca 0.15 0.83 0.00 0.00 -0.77 0.00 0.00 57.85 58.06 1p88 n ARG 70 Cb 0.07 -5.83 0.00 0.00 -1.02 0.00 0.00 32.46 25.68 1p88 n ARG 70 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1p88 n THR 71 N -4.42 0.00 -3.94 0.55 -2.24 -1.26 -4.05 114.28 98.93 1p88 n THR 71 Ca -0.19 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.24 1p88 n THR 71 Cb 0.63 0.48 -0.14 0.00 -2.10 0.00 0.00 70.33 69.20 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 0.00 3.01 -0.13 -0.78 0.52 -1.25 0.15 118.95 120.48 1p88 s ARG 72 Ca 0.00 -0.86 0.01 0.00 -0.52 0.00 0.00 55.73 54.36 1p88 s ARG 72 Cb 0.00 -3.00 0.02 0.00 0.52 0.00 0.00 34.95 32.48 1p88 s ARG 72 CO 0.00 -0.34 -0.15 0.00 0.02 0.00 0.00 175.30 174.83 1p88 s GLU 74 N 1.19 3.60 -0.09 0.00 2.12 0.63 0.64 118.70 126.78 1p88 s GLU 74 Ca -0.02 -0.34 -0.00 0.00 0.36 0.00 0.00 54.97 54.97 1p88 s GLU 74 Cb -0.14 -3.07 0.02 0.00 0.26 0.00 0.00 34.13 31.20 1p88 s GLU 74 CO -0.05 0.47 -0.06 0.42 -0.54 0.00 0.00 175.26 175.50 1p88 s ILE 75 N -0.21 0.84 -0.63 -3.70 1.01 0.12 0.19 121.20 118.82 1p88 s ILE 75 Ca 0.07 -0.20 -0.26 0.00 0.00 0.00 0.00 60.65 60.26 1p88 s ILE 75 Cb -0.12 -0.88 -0.04 0.00 0.01 0.00 0.00 42.46 41.44 1p88 s ILE 75 CO 0.01 0.33 1.98 0.27 0.00 0.00 0.00 174.94 177.53 1p88 s ILE 76 N 1.56 3.29 0.18 2.92 -0.00 0.61 -2.44 121.20 127.32 1p88 s ILE 76 Ca 0.01 0.10 -0.21 0.00 -0.00 0.00 0.00 60.65 60.54 1p88 s ILE 76 Cb -0.13 -3.76 -0.13 0.00 -0.00 0.00 0.00 42.46 38.43 1p88 s ILE 76 CO -0.05 -0.74 0.37 0.61 -0.00 0.00 0.00 174.94 175.13 1p88 n GLY 77 N 5.91 -1.46 0.02 6.27 0.00 1.26 -4.05 105.19 113.14 1p88 n GLY 77 Ca 0.26 0.23 0.12 0.00 0.00 0.00 0.00 46.02 46.64 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 1.60 0.45 0.00 1.61 2.85 0.30 -4.07 115.26 117.99 1p88 n ASN 78 Ca 0.13 0.05 0.00 0.00 -0.11 0.00 0.00 54.58 54.66 1p88 n ASN 78 Cb 0.21 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.23 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 1.45 0.80 0.00 8.20 0.00 0.55 -4.91 105.19 111.28 1p88 n GLY 79 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.00 -0.14 3.69 -0.02 0.00 -0.15 -4.74 105.19 101.82 1p88 n GLY 80 Ca 0.00 -1.01 -0.55 0.00 0.00 0.00 0.00 46.02 44.46 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 1.34 -2.15 1.61 -0.02 -1.26 -4.13 135.00 130.39 1p88 n PRO 81 Ca 0.00 0.49 -0.43 0.00 -2.02 0.00 0.00 63.50 61.54 1p88 n PRO 81 Cb 0.00 -2.20 -0.02 0.00 -0.02 0.00 0.00 33.50 31.26 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 3.21 3.69 0.10 2.45 2.01 -1.26 -4.88 118.68 124.00 1p88 s LEU 82 Ca 0.95 1.31 -0.27 0.00 0.01 0.00 0.00 54.13 56.13 1p88 s LEU 82 Cb -0.99 -3.53 -0.06 0.00 0.01 0.00 0.00 46.19 41.62 1p88 s LEU 82 CO 0.61 -1.44 0.84 -1.38 1.01 0.00 0.00 176.35 175.98 1p88 s HIS 83 N 5.76 3.81 -0.24 0.29 -3.43 -1.26 -4.91 115.29 115.31 1p88 s HIS 83 Ca 0.71 1.63 -0.13 0.00 -0.80 0.00 0.00 55.06 56.48 1p88 s HIS 83 Cb -0.21 -2.89 -0.05 0.00 -1.43 0.00 0.00 32.58 28.01 1p88 s HIS 83 CO 0.31 0.32 0.26 0.00 -2.00 0.00 0.00 174.74 173.63 1p88 s ALA 84 N -0.36 3.58 -0.04 -1.38 0.00 -1.26 -4.43 121.76 117.87 1p88 s ALA 84 Ca 0.40 -0.81 -0.30 0.00 0.00 0.00 0.00 51.96 51.25 1p88 s ALA 84 Cb -0.22 -2.48 -0.05 0.00 0.00 0.00 0.00 23.12 20.37 1p88 s ALA 84 CO 0.26 -0.34 1.42 -1.21 0.00 0.00 0.00 175.76 175.89 1p88 s GLU 85 N 1.37 4.26 0.37 0.00 2.02 -1.26 -4.64 118.70 120.82 1p88 s GLU 85 Ca 0.12 1.95 0.00 0.00 0.02 0.00 0.00 54.97 57.05 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 0.07 -0.64 0.00 0.41 0.02 0.00 0.00 175.26 175.12 1p88 n GLY 86 N 3.72 -2.05 3.77 -1.39 0.00 -1.26 -4.67 105.19 103.31 1p88 n GLY 86 Ca 0.14 -1.09 -0.38 0.00 0.00 0.00 0.00 46.02 44.69 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 3.16 0.28 4.61 0.00 -1.26 -4.65 121.76 121.39 1p88 s ALA 87 Ca 0.00 0.85 0.10 0.00 0.00 0.00 0.00 51.96 52.91 1p88 s ALA 87 Cb 0.00 -3.33 -0.05 0.00 0.00 0.00 0.00 23.12 19.75 1p88 s ALA 87 CO 0.00 -0.35 -0.07 -1.17 0.00 0.00 0.00 175.76 174.17 1p88 s LEU 88 N -2.41 2.96 -0.24 0.00 2.96 0.53 -4.98 118.68 117.49 1p88 s LEU 88 Ca 0.56 -0.81 -0.04 0.00 -0.22 0.00 0.00 54.13 53.61 1p88 s LEU 88 Cb -0.27 -1.46 0.08 0.00 0.50 0.00 0.00 46.19 45.04 1p88 s LEU 88 CO 0.34 -0.01 0.11 -1.61 -1.32 0.00 0.00 176.35 173.87 1p88 s GLU 89 N -3.62 0.16 -0.25 1.98 2.02 -1.26 0.21 118.70 117.95 1p88 s GLU 89 Ca 0.31 -0.38 -0.13 0.00 0.02 0.00 0.00 54.97 54.79 1p88 s GLU 89 Cb -0.05 -1.44 -0.04 0.00 0.10 0.00 0.00 34.13 32.69 1p88 s GLU 89 CO 0.18 -0.88 0.29 -0.51 0.02 0.00 0.00 175.26 174.36 1p88 s LEU 90 N 2.10 4.09 -0.69 1.80 1.02 0.39 -4.89 118.68 122.49 1p88 s LEU 90 Ca 0.06 0.25 -0.18 0.00 0.02 0.00 0.00 54.13 54.29 1p88 s LEU 90 Cb -0.16 -2.31 0.13 0.00 0.02 0.00 0.00 46.19 43.87 1p88 s LEU 90 CO -0.26 -0.07 0.77 0.12 0.02 0.00 0.00 176.35 176.93 1p88 s PHE 91 N 1.55 3.20 -0.64 0.29 5.36 -1.26 -0.21 117.98 126.28 1p88 s PHE 91 Ca 0.13 -1.28 0.01 0.00 -0.96 0.00 0.00 56.93 54.83 1p88 s PHE 91 Cb -0.15 -4.00 0.40 0.00 -0.34 0.00 0.00 43.02 38.94 1p88 s PHE 91 CO 0.08 -1.24 1.71 1.28 -1.46 0.00 0.00 175.22 175.59 1p88 n LEU 92 N 5.78 6.58 0.14 6.12 7.99 0.29 -4.75 117.00 139.15 1p88 n LEU 92 Ca 0.00 -4.78 0.17 0.00 -0.01 0.00 0.00 56.01 51.39 1p88 n LEU 92 Cb 0.44 -0.81 0.75 0.00 -0.11 0.00 0.00 43.42 43.69 1p88 n LEU 92 CO 0.51 1.85 1.15 1.23 -1.51 0.00 0.00 177.39 180.62 1p88 h GLY 93 N 2.56 0.00 0.00 -0.72 0.00 -1.84 -1.55 103.07 101.52 1p88 h GLY 93 Ca 0.49 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.79 1p88 h GLY 93 CO 1.25 0.00 -1.70 0.70 0.00 0.00 0.00 176.54 176.79 1p88 n ASN 94 N -4.10 1.66 -3.17 0.19 3.02 -1.26 -4.11 115.26 107.49 1p88 n ASN 94 Ca 0.04 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.23 1p88 n ASN 94 Cb 0.40 1.57 -0.03 0.00 -0.61 0.00 0.00 39.78 41.10 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 -2.06 6.98 -0.26 5.41 0.00 -0.58 -4.22 120.51 125.78 1p88 n ALA 95 Ca -0.05 -3.57 0.00 0.00 0.00 0.00 0.00 53.44 49.83 1p88 n ALA 95 Cb 0.44 -2.85 0.22 0.00 0.00 0.00 0.00 19.45 17.26 1p88 n ALA 95 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1p88 h GLY 96 N 5.78 1.15 2.00 0.00 0.00 -1.83 0.34 103.07 110.51 1p88 h GLY 96 Ca 0.68 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1p88 h GLY 96 CO 1.39 0.41 0.00 -0.91 0.00 0.00 0.00 176.54 177.43 1p88 h THR 97 N 1.09 0.00 0.00 4.70 1.35 -1.93 -3.26 112.91 114.86 1p88 h THR 97 Ca 0.30 -0.52 -0.25 0.00 -0.55 0.00 0.00 66.41 65.39 1p88 h THR 97 Cb -0.10 1.49 -0.05 0.00 -1.73 0.00 0.00 68.15 67.76 1p88 h THR 97 CO -0.07 0.00 -2.05 0.00 -0.25 0.00 0.00 175.52 173.15 1p88 n ALA 98 N -1.84 1.82 -0.28 6.62 0.00 -0.29 -4.13 120.51 122.41 1p88 n ALA 98 Ca 0.05 -0.96 -0.05 0.00 0.00 0.00 0.00 53.44 52.47 1p88 n ALA 98 Cb 0.42 -0.52 0.06 0.00 0.00 0.00 0.00 19.45 19.41 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 1.10 0.96 0.00 -1.53 -0.45 0.39 114.93 115.40 1p88 h MET 99 Ca -0.34 -0.15 -0.05 0.00 -3.44 0.00 0.00 59.70 55.72 1p88 h MET 99 Cb 1.86 -0.20 0.01 0.00 -0.55 0.00 0.00 31.60 32.71 1p88 h MET 99 CO 0.03 0.84 -0.49 0.00 0.14 0.00 0.00 176.91 177.43 1p88 h ARG 100 N 1.08 -1.27 -0.21 0.39 -0.00 -1.75 0.77 114.38 113.39 1p88 h ARG 100 Ca 0.27 0.09 0.03 0.00 -0.50 0.00 0.00 59.98 59.87 1p88 h ARG 100 Cb 0.08 0.29 -0.01 0.00 0.00 0.00 0.00 29.97 30.33 1p88 h ARG 100 CO -0.04 -0.85 0.15 -1.00 0.00 0.00 0.00 179.97 178.23 1p88 h PRO 101 N -1.32 0.14 0.09 0.04 0.13 -1.67 -1.81 132.00 127.59 1p88 h PRO 101 Ca -0.13 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.99 1p88 h PRO 101 Cb 1.02 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1p88 h PRO 101 CO 0.20 0.09 -0.04 -0.07 -0.23 0.00 0.00 178.00 177.95 1p88 h LEU 102 N 0.14 -0.10 -1.94 1.56 3.38 0.16 0.21 115.31 118.72 1p88 h LEU 102 Ca 0.09 -0.49 0.24 0.00 0.09 0.00 0.00 57.88 57.81 1p88 h LEU 102 Cb 0.19 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1p88 h LEU 102 CO -0.01 0.55 0.66 0.00 0.09 0.00 0.00 178.44 179.73 1p88 h ALA 103 N -0.19 2.71 0.00 1.53 0.00 0.82 -0.68 119.26 123.45 1p88 h ALA 103 Ca -0.01 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 1p88 h ALA 103 Cb 0.58 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1p88 h ALA 103 CO 0.02 -1.09 -0.75 0.00 0.00 0.00 0.00 179.25 177.43 1p88 h ALA 104 N 1.45 0.14 0.00 0.00 0.00 -1.28 -3.31 119.26 116.26 1p88 h ALA 104 Ca 0.39 -0.82 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 1p88 h ALA 104 Cb 1.72 0.49 -0.00 0.00 0.00 0.00 0.00 17.79 19.99 1p88 h ALA 104 CO -0.00 0.47 -0.02 0.00 0.00 0.00 0.00 179.25 179.70 1p88 h ALA 105 N -0.55 1.76 0.00 0.00 0.00 0.04 -2.37 119.26 118.14 1p88 h ALA 105 Ca -0.18 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.56 1p88 h ALA 105 Cb 0.96 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1p88 h ALA 105 CO -0.11 0.02 -0.88 -0.07 0.00 0.00 0.00 179.25 178.21 1p88 h LEU 106 N 0.00 0.00 -0.23 0.00 3.38 -1.33 -3.25 115.31 113.88 1p88 h LEU 106 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1p88 h LEU 106 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1p88 h LEU 106 CO 0.00 0.71 0.00 0.00 0.09 0.00 0.00 178.44 179.24 1p88 n LEU 108 N -0.35 1.79 0.00 0.00 4.77 -1.23 0.10 117.00 122.08 1p88 n LEU 108 Ca 0.00 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 1p88 n LEU 108 Cb 0.04 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1p88 n LEU 108 CO 0.00 -0.17 0.00 0.61 -1.33 0.00 0.00 177.39 176.50 1p88 n GLY 109 N 2.05 -0.41 2.87 -0.72 0.00 -1.25 -1.95 105.19 105.78 1p88 n GLY 109 Ca 0.00 -0.08 -0.12 0.00 0.00 0.00 0.00 46.02 45.83 1p88 n GLY 109 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1p88 s SER 110 N -1.41 0.63 -0.12 1.61 1.04 -1.26 0.41 113.70 114.59 1p88 s SER 110 Ca 0.00 -0.91 -0.10 0.00 0.48 0.00 0.00 55.95 55.42 1p88 s SER 110 Cb 0.00 0.92 0.03 0.00 0.10 0.00 0.00 66.02 67.08 1p88 s SER 110 CO 0.00 -0.31 0.31 0.20 0.98 0.00 0.00 173.24 174.42 1p88 s ASN 111 N 2.05 -0.32 -0.64 7.02 -0.87 -1.24 -4.77 114.94 116.17 1p88 s ASN 111 Ca 0.13 0.62 -0.21 0.00 -1.57 0.00 0.00 52.86 51.83 1p88 s ASN 111 Cb -0.13 0.61 0.08 0.00 -0.02 0.00 0.00 41.25 41.79 1p88 s ASN 111 CO -0.19 -0.12 0.88 -1.81 -2.57 0.00 0.00 177.10 173.29 1p88 s ASP 112 N 0.35 6.18 -0.05 -1.22 1.11 -1.12 -1.19 116.67 120.73 1p88 s ASP 112 Ca -0.02 -1.14 0.06 0.00 0.18 0.00 0.00 52.55 51.63 1p88 s ASP 112 Cb -0.03 -2.38 -0.01 0.00 1.07 0.00 0.00 42.92 41.56 1p88 s ASP 112 CO -0.01 -1.33 -0.24 -0.63 1.18 0.00 0.00 175.17 174.14 1p88 s ILE 113 N 3.60 2.18 -0.33 0.77 -1.09 0.10 0.20 121.20 126.63 1p88 s ILE 113 Ca 0.18 -1.03 -0.07 0.00 -2.23 0.00 0.00 60.65 57.50 1p88 s ILE 113 Cb -0.19 -1.79 0.03 0.00 -1.58 0.00 0.00 42.46 38.92 1p88 s ILE 113 CO 0.09 0.57 0.11 -0.69 -1.23 0.00 0.00 174.94 173.79 1p88 s VAL 114 N -0.29 3.97 -0.42 2.92 1.01 0.57 0.19 120.40 128.35 1p88 s VAL 114 Ca 0.00 -0.91 -0.13 0.00 0.00 0.00 0.00 61.98 60.94 1p88 s VAL 114 Cb -0.13 -3.16 0.05 0.00 0.00 0.00 0.00 36.38 33.14 1p88 s VAL 114 CO 0.02 -0.08 0.29 -0.76 0.00 0.00 0.00 175.10 174.58 1p88 s LEU 115 N 1.46 5.15 0.00 3.92 1.43 0.62 0.15 118.68 131.41 1p88 s LEU 115 Ca 0.01 -1.13 0.00 0.00 -1.03 0.00 0.00 54.13 51.97 1p88 s LEU 115 Cb -0.18 -2.10 -0.00 0.00 0.03 0.00 0.00 46.19 43.93 1p88 s LEU 115 CO 0.03 -0.50 0.00 0.41 0.23 0.00 0.00 176.35 176.53 1p88 n THR 116 N 5.09 0.00 -3.33 5.49 -1.04 0.71 -1.58 114.28 119.62 1p88 n THR 116 Ca -0.11 -0.10 0.00 0.00 -2.04 0.00 0.00 64.05 61.79 1p88 n THR 116 Cb 0.45 0.03 0.00 0.00 -1.82 0.00 0.00 70.33 68.99 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 3.74 1.37 3.92 3.41 0.00 -1.26 0.11 105.19 116.48 1p88 n GLY 117 Ca -0.01 -0.90 -0.29 0.00 0.00 0.00 0.00 46.02 44.83 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 -1.72 1.58 0.33 1.61 2.02 -1.26 -4.72 118.70 116.54 1p88 s GLU 118 Ca 0.00 -0.15 0.11 0.00 0.02 0.00 0.00 54.97 54.95 1p88 s GLU 118 Cb 0.00 -1.96 0.93 0.00 0.10 0.00 0.00 34.13 33.20 1p88 s GLU 118 CO 0.00 -1.79 1.72 -1.00 0.02 0.00 0.00 175.26 174.21 1p88 h PRO 119 N -1.15 0.52 0.00 0.39 0.13 -2.02 0.82 132.00 130.68 1p88 h PRO 119 Ca -0.45 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 64.62 1p88 h PRO 119 Cb 1.30 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 1p88 h PRO 119 CO 0.56 0.34 -0.16 -0.09 -0.23 0.00 0.00 178.00 178.42 1p88 h ARG 120 N 0.53 0.00 -0.18 0.86 2.43 -1.92 -2.21 114.38 113.89 1p88 h ARG 120 Ca 0.65 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.81 1p88 h ARG 120 Cb 1.31 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.85 1p88 h ARG 120 CO -0.47 0.16 0.06 1.98 -1.51 0.00 0.00 179.97 180.18 1p88 h MET 121 N 0.00 0.24 0.00 0.20 4.05 0.53 0.98 114.93 120.93 1p88 h MET 121 Ca -0.00 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 1p88 h MET 121 Cb 0.52 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.27 1p88 h MET 121 CO 0.02 0.22 0.00 0.87 0.23 0.00 0.00 176.91 178.25 1p88 h LYS 122 N 0.24 0.00 0.00 0.39 1.79 -1.39 0.23 116.57 117.83 1p88 h LYS 122 Ca 0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1p88 h LYS 122 Cb 0.08 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.73 1p88 h LYS 122 CO -0.01 0.00 0.00 0.39 -1.08 0.00 0.00 179.45 178.75 1p88 n GLU 123 N -2.63 0.98 -3.74 3.15 1.02 0.34 -4.24 120.64 115.52 1p88 n GLU 123 Ca -0.01 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.85 1p88 n GLU 123 Cb 0.13 -1.47 -0.12 0.00 -0.02 0.00 0.00 31.44 29.96 1p88 n GLU 123 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1p88 s ARG 124 N -2.00 1.79 0.59 3.49 0.52 0.07 -5.11 118.95 118.29 1p88 s ARG 124 Ca 0.44 -2.70 -0.19 0.00 -0.52 0.00 0.00 55.73 52.75 1p88 s ARG 124 Cb 0.20 -2.69 -0.05 0.00 0.52 0.00 0.00 34.95 32.93 1p88 s ARG 124 CO 0.34 -1.27 1.07 -2.30 0.02 0.00 0.00 175.30 173.16 1p88 n PRO 125 N 2.61 1.08 -0.45 3.54 -0.02 -1.26 -4.30 135.00 136.21 1p88 n PRO 125 Ca 0.19 0.41 0.05 0.00 -2.02 0.00 0.00 63.50 62.13 1p88 n PRO 125 Cb 0.38 -2.27 0.09 0.00 -0.02 0.00 0.00 33.50 31.68 1p88 n PRO 125 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 1p88 n ILE 126 N -1.55 1.10 -0.06 4.25 3.06 0.36 -4.83 119.36 121.69 1p88 n ILE 126 Ca 0.13 -1.52 -0.13 0.00 -2.50 0.00 0.00 62.75 58.73 1p88 n ILE 126 Cb 0.46 0.14 -0.07 0.00 0.54 0.00 0.00 39.64 40.72 1p88 n ILE 126 CO 0.00 0.00 0.00 1.23 -2.50 0.00 0.00 176.55 175.28 1p88 h GLY 127 N 0.26 0.38 0.71 4.50 0.00 -1.79 -2.01 103.07 105.12 1p88 h GLY 127 Ca -0.03 -0.37 0.11 0.00 0.00 0.00 0.00 47.33 47.04 1p88 h GLY 127 CO 0.01 0.33 0.56 0.45 0.00 0.00 0.00 176.54 177.90 1p88 h HIS 128 N -0.00 0.89 -0.21 5.60 3.86 -1.89 0.86 115.15 124.27 1p88 h HIS 128 Ca 0.03 0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.17 1p88 h HIS 128 Cb 0.62 -0.29 -0.00 0.00 1.06 0.00 0.00 27.41 28.81 1p88 h HIS 128 CO 0.08 0.40 -0.24 1.25 0.86 0.00 0.00 177.93 180.27 1p88 h LEU 129 N 0.81 0.57 -0.39 2.43 5.85 -1.91 -0.20 115.31 122.48 1p88 h LEU 129 Ca 0.41 -0.49 0.04 0.00 0.84 0.00 0.00 57.88 58.68 1p88 h LEU 129 Cb 0.47 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 1p88 h LEU 129 CO -0.17 0.95 0.15 0.58 -0.34 0.00 0.00 178.44 179.60 1p88 h VAL 130 N 0.21 0.90 -0.26 1.05 2.07 -0.42 0.19 116.25 119.99 1p88 h VAL 130 Ca 0.03 -0.11 -0.17 0.00 0.82 0.00 0.00 66.70 67.27 1p88 h VAL 130 Cb 0.81 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1p88 h VAL 130 CO 0.06 0.06 -0.53 0.44 0.02 0.00 0.00 177.57 177.62 1p88 h ASP 131 N 0.31 0.82 -0.38 0.57 3.32 -0.88 0.84 116.42 121.03 1p88 h ASP 131 Ca 0.18 -0.43 0.03 0.00 0.02 0.00 0.00 57.03 56.82 1p88 h ASP 131 Cb 0.14 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 1p88 h ASP 131 CO -0.17 1.19 0.18 0.00 -1.72 0.00 0.00 179.24 178.73 1p88 h ALA 132 N 0.83 0.46 0.00 3.45 0.00 -0.51 0.73 119.26 124.22 1p88 h ALA 132 Ca 0.02 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1p88 h ALA 132 Cb 1.11 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1p88 h ALA 132 CO 0.11 -0.19 -0.00 -0.07 0.00 0.00 0.00 179.25 179.10 1p88 h LEU 133 N 0.37 -0.00 -2.13 0.00 3.38 -0.54 -3.09 115.31 113.29 1p88 h LEU 133 Ca 0.16 -0.79 0.06 0.00 0.09 0.00 0.00 57.88 57.41 1p88 h LEU 133 Cb 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1p88 h LEU 133 CO -0.12 0.79 0.19 0.03 0.09 0.00 0.00 178.44 179.42 1p88 h ARG 134 N -0.81 0.00 -0.00 1.13 2.47 0.83 0.22 114.38 118.21 1p88 h ARG 134 Ca -0.00 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.61 1p88 h ARG 134 Cb 0.79 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.09 1p88 h ARG 134 CO 0.00 0.00 -0.53 1.25 0.56 0.00 0.00 179.97 181.25 1p88 h LEU 135 N 0.00 0.01 -1.01 3.04 5.85 0.50 -2.51 115.31 121.20 1p88 h LEU 135 Ca 0.10 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1p88 h LEU 135 Cb 0.48 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.51 1p88 h LEU 135 CO -0.00 0.53 0.00 0.61 -0.34 0.00 0.00 178.44 179.24 1p88 n GLY 136 N -0.01 0.66 0.56 3.75 0.00 0.69 -4.80 105.19 106.03 1p88 n GLY 136 Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 0.48 0.74 3.81 -0.02 0.00 -0.95 0.27 105.19 109.51 1p88 n GLY 137 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.24 2.78 -0.45 4.61 0.00 -0.76 -3.13 121.76 122.58 1p88 s ALA 138 Ca 0.00 0.30 -0.13 0.00 0.00 0.00 0.00 51.96 52.13 1p88 s ALA 138 Cb 0.00 -3.20 0.07 0.00 0.00 0.00 0.00 23.12 19.99 1p88 s ALA 138 CO 0.00 -0.81 0.33 0.15 0.00 0.00 0.00 175.76 175.43 1p88 s LYS 139 N -4.28 2.84 -0.03 0.00 1.02 0.53 -4.18 119.74 115.65 1p88 s LYS 139 Ca 0.62 -1.36 -0.00 0.00 0.02 0.00 0.00 55.97 55.25 1p88 s LYS 139 Cb -0.15 -3.98 0.03 0.00 -0.52 0.00 0.00 37.83 33.21 1p88 s LYS 139 CO 0.40 -0.97 0.02 0.42 -0.92 0.00 0.00 175.35 174.30 1p88 s ILE 140 N 1.56 0.07 -0.01 2.17 1.01 -1.26 -1.40 121.20 123.34 1p88 s ILE 140 Ca 0.04 0.19 0.05 0.00 0.00 0.00 0.00 60.65 60.93 1p88 s ILE 140 Cb -0.23 -0.21 -0.01 0.00 0.01 0.00 0.00 42.46 42.01 1p88 s ILE 140 CO 0.05 0.14 -0.18 -0.89 0.00 0.00 0.00 174.94 174.07 1p88 s THR 141 N 1.29 1.40 0.08 2.92 2.01 -0.65 -4.95 115.64 117.73 1p88 s THR 141 Ca -0.06 -0.75 -0.30 0.00 0.31 0.00 0.00 61.69 60.88 1p88 s THR 141 Cb -0.13 -1.16 -0.05 0.00 0.01 0.00 0.00 72.50 71.17 1p88 s THR 141 CO -0.03 0.40 1.04 -0.31 -0.69 0.00 0.00 174.62 175.03 1p88 s TYR 142 N -0.40 3.65 0.00 4.92 2.02 -1.26 -0.51 117.35 125.77 1p88 s TYR 142 Ca 0.06 1.63 0.00 0.00 -0.37 0.00 0.00 57.07 58.40 1p88 s TYR 142 Cb -0.07 -3.19 0.00 0.00 -0.40 0.00 0.00 41.96 38.30 1p88 s TYR 142 CO -0.01 -0.30 0.00 1.28 -1.57 0.00 0.00 175.55 174.95 1p88 n LEU 143 N 3.31 0.00 0.00 -1.29 4.32 -1.25 -4.91 117.00 117.18 1p88 n LEU 143 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.04 1p88 n LEU 143 Cb 0.49 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.29 1p88 n LEU 143 CO 0.53 0.00 0.22 -0.62 -1.22 0.00 0.00 177.39 176.30 1p88 n GLU 144 N 0.00 0.00 -4.29 3.23 -0.58 -1.26 -4.84 120.64 112.90 1p88 n GLU 144 Ca 0.00 0.02 -0.30 0.00 -0.42 0.00 0.00 57.16 56.46 1p88 n GLU 144 Cb 0.00 -0.95 -0.10 0.00 -0.57 0.00 0.00 31.44 29.82 1p88 n GLU 144 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1p88 s GLN 145 N -0.90 2.16 0.20 3.49 -0.21 -1.26 -5.08 119.66 118.06 1p88 s GLN 145 Ca 0.00 -0.99 -0.31 0.00 0.02 0.00 0.00 55.36 54.08 1p88 s GLN 145 Cb 0.00 -2.31 -0.10 0.00 1.00 0.00 0.00 33.01 31.60 1p88 s GLN 145 CO 0.00 0.52 1.48 -1.21 -2.12 0.00 0.00 175.29 173.96 1p88 s GLU 146 N -2.05 4.26 -1.06 2.91 2.02 -1.26 -1.75 118.70 121.76 1p88 s GLU 146 Ca 0.20 2.29 0.00 0.00 0.02 0.00 0.00 54.97 57.48 1p88 s GLU 146 Cb -0.11 -3.14 0.00 0.00 0.10 0.00 0.00 34.13 30.98 1p88 s GLU 146 CO 0.12 -0.49 0.00 0.09 0.02 0.00 0.00 175.26 175.00 1p88 n ASN 147 N 3.14 -4.60 -4.83 -0.19 4.13 -1.26 -4.87 115.26 106.78 1p88 n ASN 147 Ca 0.10 0.25 -0.22 0.00 1.68 0.00 0.00 54.58 56.39 1p88 n ASN 147 Cb 0.40 -2.98 -0.04 0.00 -1.54 0.00 0.00 39.78 35.62 1p88 n ASN 147 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 1p88 s TYR 148 N -2.24 2.70 0.07 3.10 1.51 -0.72 0.14 117.35 121.92 1p88 s TYR 148 Ca 0.00 -0.49 -0.14 0.00 -1.01 0.00 0.00 57.07 55.43 1p88 s TYR 148 Cb 0.00 -2.05 -0.03 0.00 -0.11 0.00 0.00 41.96 39.77 1p88 s TYR 148 CO 0.00 0.01 0.85 -2.30 -1.11 0.00 0.00 175.55 173.00 1p88 n PRO 149 N -1.43 -0.20 -1.61 -1.71 -0.02 -1.26 -4.31 135.00 124.46 1p88 n PRO 149 Ca 0.02 0.84 -0.41 0.00 -2.02 0.00 0.00 63.50 61.92 1p88 n PRO 149 Cb 0.62 -1.24 0.01 0.00 -0.02 0.00 0.00 33.50 32.88 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 -4.18 1.36 -3.67 0.52 -0.02 -0.97 -4.32 135.00 123.72 1p88 n PRO 150 Ca 0.01 0.49 -0.10 0.00 -2.02 0.00 0.00 63.50 61.88 1p88 n PRO 150 Cb 0.12 -2.06 -0.09 0.00 -0.02 0.00 0.00 33.50 31.44 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 -0.64 -0.39 -0.50 2.45 1.43 -0.61 -3.92 118.68 116.50 1p88 s LEU 151 Ca 0.63 1.17 -0.13 0.00 -1.03 0.00 0.00 54.13 54.78 1p88 s LEU 151 Cb -0.55 1.87 0.12 0.00 0.03 0.00 0.00 46.19 47.66 1p88 s LEU 151 CO 0.56 -0.21 0.41 -0.13 0.23 0.00 0.00 176.35 177.22 1p88 s ARG 152 N 1.12 2.75 0.21 1.70 0.52 0.33 -0.28 118.95 125.31 1p88 s ARG 152 Ca -0.07 -1.69 -0.11 0.00 -0.52 0.00 0.00 55.73 53.35 1p88 s ARG 152 Cb -0.06 -4.10 -0.07 0.00 0.52 0.00 0.00 34.95 31.24 1p88 s ARG 152 CO -0.11 -1.22 0.55 -0.51 0.02 0.00 0.00 175.30 174.03 1p88 s LEU 153 N 1.49 4.21 0.00 2.53 1.43 0.51 -1.64 118.68 127.21 1p88 s LEU 153 Ca 0.04 0.97 0.05 0.00 -1.03 0.00 0.00 54.13 54.16 1p88 s LEU 153 Cb -0.28 -3.57 0.08 0.00 0.03 0.00 0.00 46.19 42.46 1p88 s LEU 153 CO 0.02 -0.02 0.88 0.00 0.23 0.00 0.00 176.35 177.46 1p88 n GLN 154 N 0.13 0.00 0.00 1.70 6.02 -0.33 0.01 117.38 124.91 1p88 n GLN 154 Ca -0.01 -0.90 0.00 0.00 -0.01 0.00 0.00 57.00 56.08 1p88 n GLN 154 Cb 0.52 -0.07 0.00 0.00 1.02 0.00 0.00 30.24 31.71 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 0.10 -0.45 0.00 1.08 0.00 -1.21 -3.66 105.19 101.05 1p88 n GLY 155 Ca -0.04 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 0.00 1.77 3.68 -0.02 0.00 0.16 -0.34 105.19 110.44 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 -0.51 2.49 -0.03 1.61 -0.00 0.28 -3.76 117.46 117.54 1p88 n PHE 157 Ca 0.00 -0.15 -0.02 0.00 -0.00 0.00 0.00 57.45 57.28 1p88 n PHE 157 Cb 0.00 -2.72 -0.04 0.00 -0.00 0.00 0.00 39.48 36.72 1p88 n PHE 157 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1p88 n THR 158 N 4.96 0.35 0.00 -2.13 -2.24 0.91 -4.50 114.28 111.63 1p88 n THR 158 Ca 0.20 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1p88 n THR 158 Cb 0.36 -0.85 0.00 0.00 -2.10 0.00 0.00 70.33 67.74 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 2.67 0.79 0.00 3.38 0.00 0.14 0.16 105.19 112.34 1p88 n GLY 159 Ca -0.08 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 43.98 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 2.38 3.58 -0.02 0.00 -0.85 -4.04 105.19 106.23 1p88 n GLY 160 Ca 0.00 -1.80 -0.57 0.00 0.00 0.00 0.00 46.02 43.65 1p88 n GLY 160 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1p88 n ASN 161 N 0.00 2.02 -4.66 1.61 3.02 -1.26 -3.65 115.26 112.34 1p88 n ASN 161 Ca 0.00 0.84 -0.35 0.00 -0.03 0.00 0.00 54.58 55.05 1p88 n ASN 161 Cb 0.00 -1.12 -0.10 0.00 -0.61 0.00 0.00 39.78 37.95 1p88 n ASN 161 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1p88 s VAL 162 N 4.91 4.15 -0.25 2.41 1.01 0.50 -4.78 120.40 128.36 1p88 s VAL 162 Ca 1.05 -0.33 -0.07 0.00 0.00 0.00 0.00 61.98 62.63 1p88 s VAL 162 Cb -1.10 -2.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 1p88 s VAL 162 CO 0.62 0.59 0.08 -1.81 0.00 0.00 0.00 175.10 174.58 1p88 s ASP 163 N -0.91 5.17 -0.11 3.32 1.01 -1.26 -0.71 116.67 123.18 1p88 s ASP 163 Ca 0.13 -0.22 -0.00 0.00 0.71 0.00 0.00 52.55 53.17 1p88 s ASP 163 Cb -0.11 -1.93 0.02 0.00 1.01 0.00 0.00 42.92 41.91 1p88 s ASP 163 CO 0.03 -0.04 -0.08 -0.69 0.21 0.00 0.00 175.17 174.59 1p88 s VAL 164 N 1.62 1.06 0.33 -1.27 1.01 -0.66 -4.41 120.40 118.07 1p88 s VAL 164 Ca 0.06 -0.31 -0.28 0.00 0.00 0.00 0.00 61.98 61.45 1p88 s VAL 164 Cb -0.15 -1.06 -0.13 0.00 0.00 0.00 0.00 36.38 35.04 1p88 s VAL 164 CO 0.04 0.37 1.27 -0.67 0.00 0.00 0.00 175.10 176.11 1p88 n ASP 165 N 4.87 2.61 0.09 3.32 2.03 -1.26 -2.48 116.55 125.73 1p88 n ASP 165 Ca -0.13 1.20 0.07 0.00 0.52 0.00 0.00 54.79 56.45 1p88 n ASP 165 Cb 0.50 -1.46 0.35 0.00 -0.72 0.00 0.00 41.12 39.79 1p88 n ASP 165 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1p88 n GLY 166 N 0.92 -0.80 2.69 0.27 0.00 -0.09 -4.15 105.19 104.02 1p88 n GLY 166 Ca 0.06 0.10 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 1p88 n GLY 166 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1p88 s SER 167 N -3.62 2.18 0.00 1.61 0.01 -1.26 0.16 113.70 112.79 1p88 s SER 167 Ca 0.00 -1.02 0.00 0.00 1.31 0.00 0.00 55.95 56.24 1p88 s SER 167 Cb 0.05 0.25 0.00 0.00 0.21 0.00 0.00 66.02 66.53 1p88 s SER 167 CO 0.16 -0.39 0.00 0.55 0.41 0.00 0.00 173.24 173.97 1p88 n VAL 168 N 5.16 0.00 0.00 3.43 3.14 -1.26 -5.02 118.33 123.78 1p88 n VAL 168 Ca -0.01 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.37 1p88 n VAL 168 Cb 0.45 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.23 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 -0.80 0.00 0.22 6.55 7.64 -1.26 -4.97 113.62 120.99 1p88 n SER 169 Ca 0.00 0.00 0.16 0.00 1.01 0.00 0.00 58.87 60.04 1p88 n SER 169 Cb 0.00 0.00 0.69 0.00 -1.01 0.00 0.00 64.21 63.89 1p88 n SER 169 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1p88 h SER 170 N 0.00 0.00 0.63 6.43 4.64 -1.91 -1.49 113.55 121.85 1p88 h SER 170 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1p88 h SER 170 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1p88 h SER 170 CO 0.00 0.00 -0.58 0.00 -0.87 0.00 0.00 176.83 175.38 1p88 n GLN 171 N -2.69 0.13 0.11 4.77 1.13 -1.26 -2.69 117.38 116.87 1p88 n GLN 171 Ca 0.00 0.03 -0.12 0.00 -1.94 0.00 0.00 57.00 54.97 1p88 n GLN 171 Cb 0.21 -1.57 -0.08 0.00 0.11 0.00 0.00 30.24 28.91 1p88 n GLN 171 CO 0.00 0.00 0.00 0.74 -1.44 0.00 0.00 177.06 176.36 1p88 h PHE 172 N 0.00 -0.30 -0.23 1.08 -1.00 -1.62 0.41 116.94 115.27 1p88 h PHE 172 Ca 0.00 -0.01 -0.02 0.00 2.81 0.00 0.00 57.97 60.75 1p88 h PHE 172 Cb 0.60 0.10 -0.01 0.00 3.61 0.00 0.00 35.95 40.25 1p88 h PHE 172 CO 0.00 0.08 0.05 -0.07 -1.61 0.00 0.00 178.31 176.75 1p88 h LEU 173 N -0.78 0.36 -1.50 1.54 3.38 -1.69 -1.76 115.31 114.85 1p88 h LEU 173 Ca -0.03 -0.24 0.14 0.00 0.09 0.00 0.00 57.88 57.84 1p88 h LEU 173 Cb 0.51 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 1p88 h LEU 173 CO 0.05 0.51 0.52 0.74 0.09 0.00 0.00 178.44 180.35 1p88 h THR 174 N 0.19 0.81 -0.24 0.22 2.02 -1.53 0.85 112.91 115.23 1p88 h THR 174 Ca 0.07 -0.17 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 1p88 h THR 174 Cb 0.30 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 1p88 h THR 174 CO 0.00 0.09 0.07 0.00 0.37 0.00 0.00 175.52 176.06 1p88 h ALA 175 N 1.63 0.32 0.01 6.16 0.00 0.67 -2.57 119.26 125.48 1p88 h ALA 175 Ca 0.38 -0.15 -0.19 0.00 0.00 0.00 0.00 54.91 54.96 1p88 h ALA 175 Cb 0.79 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1p88 h ALA 175 CO -0.14 -0.05 -0.88 1.37 0.00 0.00 0.00 179.25 179.56 1p88 h LEU 176 N 0.22 0.16 -1.09 0.00 -0.00 -0.46 -2.34 115.31 111.80 1p88 h LEU 176 Ca 0.08 -0.13 0.03 0.00 -0.00 0.00 0.00 57.88 57.85 1p88 h LEU 176 Cb 0.24 -0.05 -0.05 0.00 -0.00 0.00 0.00 40.66 40.80 1p88 h LEU 176 CO -0.00 0.96 0.62 -0.07 -0.00 0.00 0.00 178.44 179.94 1p88 h LEU 177 N 0.06 1.03 0.23 0.17 4.07 0.75 0.79 115.31 122.40 1p88 h LEU 177 Ca -0.03 -0.01 -0.32 0.00 0.08 0.00 0.00 57.88 57.59 1p88 h LEU 177 Cb 1.52 -0.24 0.03 0.00 1.08 0.00 0.00 40.66 43.05 1p88 h LEU 177 CO 0.13 0.71 -1.44 0.24 -1.08 0.00 0.00 178.44 176.99 1p88 h MET 178 N 1.19 0.48 -0.24 1.13 2.86 -1.46 -3.35 114.93 115.55 1p88 h MET 178 Ca 0.37 -0.83 -0.15 0.00 -2.06 0.00 0.00 59.70 57.03 1p88 h MET 178 Cb -0.02 0.31 0.00 0.00 0.06 0.00 0.00 31.60 31.95 1p88 h MET 178 CO -0.11 1.40 -0.45 1.15 1.06 0.00 0.00 176.91 179.96 1p88 h THR 179 N 0.06 1.30 -0.96 2.22 2.02 -1.15 -3.34 112.91 113.07 1p88 h THR 179 Ca -0.26 -1.65 0.02 0.00 0.77 0.00 0.00 66.41 65.28 1p88 h THR 179 Cb 2.08 1.76 -0.05 0.00 -1.74 0.00 0.00 68.15 70.20 1p88 h THR 179 CO 0.24 0.52 0.63 0.00 0.37 0.00 0.00 175.52 177.29 1p88 h ALA 180 N 0.64 1.23 0.00 6.16 0.00 0.44 -2.50 119.26 125.23 1p88 h ALA 180 Ca 0.01 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1p88 h ALA 180 Cb 1.05 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1p88 h ALA 180 CO 0.10 0.58 -0.22 -1.00 0.00 0.00 0.00 179.25 178.71 1p88 h PRO 181 N 1.28 0.00 -0.02 0.00 0.13 -1.69 0.16 132.00 131.86 1p88 h PRO 181 Ca 0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.49 1p88 h PRO 181 Cb -0.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.02 1p88 h PRO 181 CO -0.09 0.22 0.00 1.28 -0.23 0.00 0.00 178.00 179.18 1p88 n LEU 182 N -4.11 0.55 -4.75 1.56 4.77 -0.96 0.20 117.00 114.25 1p88 n LEU 182 Ca -0.02 -0.19 -0.40 0.00 -0.03 0.00 0.00 56.01 55.37 1p88 n LEU 182 Cb 0.29 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.32 1p88 n LEU 182 CO 0.36 0.10 0.52 0.00 -1.33 0.00 0.00 177.39 177.03 1p88 s ALA 183 N -1.99 3.37 0.48 -1.18 0.00 0.55 -4.34 121.76 118.65 1p88 s ALA 183 Ca 0.42 0.39 0.26 0.00 0.00 0.00 0.00 51.96 53.02 1p88 s ALA 183 Cb 0.20 -3.05 1.32 0.00 0.00 0.00 0.00 23.12 21.59 1p88 s ALA 183 CO 0.33 0.14 1.85 -1.00 0.00 0.00 0.00 175.76 177.08 1p88 h PRO 184 N 5.06 0.18 -6.40 0.00 0.13 -1.65 1.93 132.00 131.24 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 -0.04 -0.23 0.00 0.13 0.00 0.00 31.00 32.06 1p88 h PRO 184 CO 0.69 0.12 -0.79 -2.00 -0.23 0.00 0.00 178.00 175.79 1p88 s GLU 185 N -5.19 2.37 0.40 0.86 2.12 0.43 -4.16 118.70 115.53 1p88 s GLU 185 Ca -0.07 -0.78 -0.26 0.00 0.36 0.00 0.00 54.97 54.22 1p88 s GLU 185 Cb 0.23 -2.31 -0.11 0.00 0.26 0.00 0.00 34.13 32.20 1p88 s GLU 185 CO 0.78 0.60 1.26 -0.40 -0.54 0.00 0.00 175.26 176.96 1p88 n ASP 186 N 2.11 2.51 -4.34 -1.70 5.68 -1.26 -3.95 116.55 115.60 1p88 n ASP 186 Ca -0.17 1.13 -0.30 0.00 -0.50 0.00 0.00 54.79 54.95 1p88 n ASP 186 Cb 0.52 -1.48 -0.15 0.00 -1.14 0.00 0.00 41.12 38.87 1p88 n ASP 186 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1p88 s THR 187 N -1.17 2.13 -0.17 2.12 2.01 0.46 -2.01 115.64 119.00 1p88 s THR 187 Ca 0.59 -1.33 0.01 0.00 0.31 0.00 0.00 61.69 61.27 1p88 s THR 187 Cb -0.53 -1.80 0.03 0.00 0.01 0.00 0.00 72.50 70.20 1p88 s THR 187 CO 0.59 0.41 -0.14 -0.69 -0.69 0.00 0.00 174.62 174.11 1p88 s VAL 188 N -0.76 1.68 -0.29 3.82 1.01 -1.24 -0.66 120.40 123.95 1p88 s VAL 188 Ca 0.11 -0.81 -0.10 0.00 0.00 0.00 0.00 61.98 61.18 1p88 s VAL 188 Cb -0.10 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 1p88 s VAL 188 CO 0.01 0.37 0.16 -0.63 0.00 0.00 0.00 175.10 175.02 1p88 s ILE 189 N 1.42 4.89 -0.25 2.22 1.09 0.38 0.19 121.20 131.15 1p88 s ILE 189 Ca 0.03 -0.15 -0.10 0.00 -1.10 0.00 0.00 60.65 59.33 1p88 s ILE 189 Cb -0.14 -3.40 -0.05 0.00 -1.06 0.00 0.00 42.46 37.81 1p88 s ILE 189 CO -0.10 0.17 0.16 -0.60 -0.10 0.00 0.00 174.94 174.46 1p88 s ARG 190 N 1.68 4.00 -0.27 2.79 3.52 0.11 0.24 118.95 131.03 1p88 s ARG 190 Ca 0.06 -0.30 -0.17 0.00 -0.13 0.00 0.00 55.73 55.19 1p88 s ARG 190 Cb -0.16 -3.54 -0.03 0.00 -1.56 0.00 0.00 34.95 29.66 1p88 s ARG 190 CO 0.08 -0.01 0.46 0.42 -0.81 0.00 0.00 175.30 175.45 1p88 s ILE 191 N 1.24 5.10 -0.76 4.11 1.09 -1.25 -1.66 121.20 129.07 1p88 s ILE 191 Ca 0.07 0.72 -0.26 0.00 -1.10 0.00 0.00 60.65 60.08 1p88 s ILE 191 Cb -0.14 -3.79 0.01 0.00 -1.06 0.00 0.00 42.46 37.47 1p88 s ILE 191 CO 0.06 0.09 1.59 -0.54 -0.10 0.00 0.00 174.94 176.04 1p88 s LYS 192 N 2.23 2.98 0.10 2.79 1.02 -1.03 -4.55 119.74 123.27 1p88 s LYS 192 Ca 0.19 -0.11 0.00 0.00 0.02 0.00 0.00 55.97 56.07 1p88 s LYS 192 Cb -0.16 -4.55 0.00 0.00 -0.52 0.00 0.00 37.83 32.60 1p88 s LYS 192 CO 0.10 -2.52 0.00 0.41 -0.92 0.00 0.00 175.35 172.42 1p88 n GLY 193 N 5.92 1.02 3.42 -3.33 0.00 -1.26 -0.91 105.19 110.05 1p88 n GLY 193 Ca 0.18 -1.45 -0.33 0.00 0.00 0.00 0.00 46.02 44.42 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 4.24 0.35 1.61 1.11 -1.26 -4.76 116.67 113.96 1p88 s ASP 194 Ca 0.00 -0.25 -0.24 0.00 0.18 0.00 0.00 52.55 52.24 1p88 s ASP 194 Cb 0.00 -1.58 -0.15 0.00 1.07 0.00 0.00 42.92 42.25 1p88 s ASP 194 CO 0.00 0.19 0.34 0.18 1.18 0.00 0.00 175.17 177.06 1p88 n LEU 195 N 3.38 -1.64 0.15 1.23 4.77 -1.22 -4.10 117.00 119.57 1p88 n LEU 195 Ca -0.18 0.93 0.02 0.00 -0.03 0.00 0.00 56.01 56.75 1p88 n LEU 195 Cb 0.53 -0.97 0.20 0.00 -2.33 0.00 0.00 43.42 40.85 1p88 n LEU 195 CO 0.31 -3.49 0.54 1.62 -1.33 0.00 0.00 177.39 175.05 1p88 h VAL 196 N 0.67 1.15 0.00 4.08 3.04 0.12 -3.40 116.25 121.91 1p88 h VAL 196 Ca -0.35 -1.98 -0.19 0.00 -1.01 0.00 0.00 66.70 63.17 1p88 h VAL 196 Cb 1.43 2.14 -0.14 0.00 -2.01 0.00 0.00 31.29 32.71 1p88 h VAL 196 CO 0.51 0.52 -0.29 -0.24 -1.01 0.00 0.00 177.57 177.06 1p88 n SER 197 N -3.58 -2.10 -0.32 3.17 2.88 -1.26 -4.90 113.62 107.51 1p88 n SER 197 Ca -0.00 -3.01 0.12 0.00 -1.33 0.00 0.00 58.87 54.65 1p88 n SER 197 Cb 0.61 1.62 0.26 0.00 -0.75 0.00 0.00 64.21 65.95 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 3.03 0.05 -1.05 -1.46 3.11 -1.97 0.79 116.57 119.06 1p88 h LYS 198 Ca -0.17 -0.00 0.29 0.00 -2.81 0.00 0.00 60.65 57.95 1p88 h LYS 198 Cb 1.12 -0.01 -0.07 0.00 -1.00 0.00 0.00 32.23 32.28 1p88 h LYS 198 CO 0.11 0.03 0.72 -1.00 -2.81 0.00 0.00 179.45 176.50 1p88 h PRO 199 N 0.05 0.19 -0.27 1.90 0.13 -1.98 0.78 132.00 132.80 1p88 h PRO 199 Ca 0.55 -0.01 -0.09 0.00 -0.87 0.00 0.00 66.00 65.58 1p88 h PRO 199 Cb 1.11 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 1p88 h PRO 199 CO -0.85 0.13 -0.19 1.88 -0.23 0.00 0.00 178.00 178.74 1p88 h TYR 200 N 0.20 0.71 -0.49 1.56 0.05 0.22 -2.56 116.97 116.66 1p88 h TYR 200 Ca 0.54 -0.20 -0.03 0.00 0.05 0.00 0.00 58.73 59.10 1p88 h TYR 200 Cb 1.76 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 39.32 1p88 h TYR 200 CO -0.00 0.88 0.16 0.82 -1.05 0.00 0.00 178.16 178.98 1p88 h ILE 201 N 0.33 1.19 -0.58 -2.88 1.08 0.60 -0.40 117.51 116.85 1p88 h ILE 201 Ca 0.05 -0.64 0.00 0.00 -0.39 0.00 0.00 64.86 63.88 1p88 h ILE 201 Cb 0.73 0.65 -0.03 0.00 -3.07 0.00 0.00 36.82 35.10 1p88 h ILE 201 CO 0.05 0.24 0.37 0.44 -0.69 0.00 0.00 178.15 178.57 1p88 h ASP 202 N 0.70 0.68 -0.02 1.72 3.32 -0.18 0.39 116.42 123.03 1p88 h ASP 202 Ca 0.16 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 1p88 h ASP 202 Cb 0.19 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 1p88 h ASP 202 CO -0.01 0.51 0.01 0.40 -1.72 0.00 0.00 179.24 178.42 1p88 h ILE 203 N 0.79 1.13 -0.25 0.35 2.04 -1.01 -1.37 117.51 119.19 1p88 h ILE 203 Ca 0.21 -0.38 0.06 0.00 1.00 0.00 0.00 64.86 65.75 1p88 h ILE 203 Cb -0.07 1.35 -0.06 0.00 -0.74 0.00 0.00 36.82 37.30 1p88 h ILE 203 CO -0.04 0.10 -0.15 0.74 0.00 0.00 0.00 178.15 178.79 1p88 h THR 204 N -0.12 0.55 -0.03 -0.27 2.02 -0.61 2.63 112.91 117.09 1p88 h THR 204 Ca 0.01 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.12 1p88 h THR 204 Cb 0.16 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 1p88 h THR 204 CO -0.00 0.00 -0.29 -0.07 0.37 0.00 0.00 175.52 175.53 1p88 h LEU 205 N -0.13 0.05 0.03 2.58 3.38 -0.88 1.85 115.31 122.19 1p88 h LEU 205 Ca 0.14 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 1p88 h LEU 205 Cb 0.34 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.09 1p88 h LEU 205 CO -0.33 0.34 -0.45 0.78 0.09 0.00 0.00 178.44 178.87 1p88 h ASN 206 N 0.05 0.35 0.56 -0.43 2.35 -0.00 0.87 115.58 119.32 1p88 h ASN 206 Ca 0.01 -0.83 -0.10 0.00 -0.55 0.00 0.00 56.30 54.82 1p88 h ASN 206 Cb 0.54 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.79 1p88 h ASN 206 CO 0.04 1.14 -0.50 0.25 -1.65 0.00 0.00 177.43 176.71 1p88 h LEU 207 N -0.39 0.00 -0.14 1.61 5.85 0.48 -1.84 115.31 120.88 1p88 h LEU 207 Ca -0.06 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.43 1p88 h LEU 207 Cb 1.23 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 1p88 h LEU 207 CO 0.09 0.50 -0.99 0.24 -0.34 0.00 0.00 178.44 177.94 1p88 h MET 208 N 0.00 0.27 -0.83 1.25 2.86 0.29 -3.21 114.93 115.56 1p88 h MET 208 Ca -0.00 -0.33 -0.02 0.00 -2.06 0.00 0.00 59.70 57.28 1p88 h MET 208 Cb 0.91 0.11 -0.04 0.00 0.06 0.00 0.00 31.60 32.64 1p88 h MET 208 CO 0.06 1.07 0.42 0.87 1.06 0.00 0.00 176.91 180.39 1p88 h LYS 209 N 0.13 1.18 -0.12 1.72 1.57 -0.31 -1.18 116.57 119.55 1p88 h LYS 209 Ca -0.07 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.54 1p88 h LYS 209 Cb 1.65 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 33.73 1p88 h LYS 209 CO 0.16 0.89 0.05 0.00 -0.57 0.00 0.00 179.45 179.98 1p88 h THR 210 N 1.17 1.05 0.00 -0.16 1.03 -1.35 0.14 112.91 114.78 1p88 h THR 210 Ca 0.29 -0.14 0.00 0.00 -0.01 0.00 0.00 66.41 66.55 1p88 h THR 210 Cb 0.08 0.90 0.00 0.00 -1.07 0.00 0.00 68.15 68.06 1p88 h THR 210 CO -0.04 0.05 0.00 0.49 -0.01 0.00 0.00 175.52 176.01 1p88 n PHE 211 N -4.49 0.00 0.00 0.00 3.72 -0.48 -4.20 117.46 112.00 1p88 n PHE 211 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1p88 n PHE 211 Cb 0.10 -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 1.12 1.16 3.29 1.37 0.00 0.47 0.10 105.19 112.71 1p88 n GLY 212 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 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 1.79 -0.02 1.61 -7.23 -0.98 -4.77 120.40 108.80 1p88 s VAL 213 Ca 0.00 -1.45 0.04 0.00 -1.81 0.00 0.00 61.98 58.75 1p88 s VAL 213 Cb 0.00 -1.60 -0.00 0.00 0.56 0.00 0.00 36.38 35.34 1p88 s VAL 213 CO 0.00 0.07 -0.12 -1.61 -0.31 0.00 0.00 175.10 173.12 1p88 s GLU 214 N -1.66 1.16 0.10 4.82 2.02 -1.26 -2.18 118.70 121.70 1p88 s GLU 214 Ca 0.08 -0.44 0.10 0.00 0.02 0.00 0.00 54.97 54.74 1p88 s GLU 214 Cb -0.10 -1.08 -0.04 0.00 0.10 0.00 0.00 34.13 33.02 1p88 s GLU 214 CO 0.04 0.22 -0.26 0.42 0.02 0.00 0.00 175.26 175.69 1p88 s ILE 215 N -0.07 2.17 -0.31 -1.63 -1.09 -1.26 -4.51 121.20 114.49 1p88 s ILE 215 Ca 0.01 -1.63 -0.10 0.00 -2.23 0.00 0.00 60.65 56.69 1p88 s ILE 215 Cb -0.07 -1.90 -0.01 0.00 -1.58 0.00 0.00 42.46 38.89 1p88 s ILE 215 CO 0.00 0.15 0.17 -0.70 -1.23 0.00 0.00 174.94 173.34 1p88 s GLU 216 N -1.81 3.45 0.40 2.79 2.12 0.21 -4.93 118.70 120.93 1p88 s GLU 216 Ca 0.13 -0.65 -0.17 0.00 0.36 0.00 0.00 54.97 54.64 1p88 s GLU 216 Cb -0.10 -3.62 -0.09 0.00 0.26 0.00 0.00 34.13 30.58 1p88 s GLU 216 CO 0.05 -0.39 0.86 0.54 -0.54 0.00 0.00 175.26 175.78 1p88 s ASN 217 N 1.65 6.78 0.00 -1.70 2.20 -1.26 0.13 114.94 122.74 1p88 s ASN 217 Ca 0.05 1.46 0.00 0.00 -0.94 0.00 0.00 52.86 53.43 1p88 s ASN 217 Cb -0.17 -2.45 0.00 0.00 -2.00 0.00 0.00 41.25 36.63 1p88 s ASN 217 CO 0.08 -0.34 0.00 0.00 -2.94 0.00 0.00 177.10 173.89 1p88 n GLN 218 N -0.76 2.73 -1.51 3.55 1.13 0.22 -4.89 117.38 117.86 1p88 n GLN 218 Ca 0.05 0.00 -0.40 0.00 -1.94 0.00 0.00 57.00 54.71 1p88 n GLN 218 Cb 0.54 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 30.87 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 2.97 -2.86 1.08 -0.00 -1.26 -4.35 115.22 110.80 1p88 n HIS 219 Ca 0.00 -2.87 -0.21 0.00 0.46 0.00 0.00 57.72 55.10 1p88 n HIS 219 Cb 0.00 -2.43 0.01 0.00 -0.12 0.00 0.00 29.99 27.45 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 5.38 -1.65 0.00 1.57 9.36 -1.26 -4.76 117.16 125.80 1p88 n TYR 220 Ca 0.59 0.33 0.00 0.00 3.32 0.00 0.00 57.90 62.14 1p88 n TYR 220 Cb 0.33 -3.93 0.00 0.00 -0.63 0.00 0.00 39.34 35.11 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 -3.60 0.00 0.00 2.98 10.64 -1.26 -3.60 117.38 122.54 1p88 n GLN 221 Ca -0.13 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.04 1p88 n GLN 221 Cb 0.62 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 30.00 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 -4.96 2.61 6.02 -1.19 -3.70 117.38 116.17 1p88 n GLN 222 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.72 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 1.80 -0.23 1.08 0.40 0.66 0.73 117.98 122.42 1p88 s PHE 223 Ca 0.00 -0.39 0.01 0.00 -0.60 0.00 0.00 56.93 55.95 1p88 s PHE 223 Cb 0.00 -1.17 0.04 0.00 0.51 0.00 0.00 43.02 42.40 1p88 s PHE 223 CO 0.00 -0.07 -0.12 0.08 0.70 0.00 0.00 175.22 175.81 1p88 s VAL 224 N -0.34 2.38 -0.13 -0.44 1.01 0.35 -0.47 120.40 122.76 1p88 s VAL 224 Ca 0.04 -1.24 0.02 0.00 0.00 0.00 0.00 61.98 60.80 1p88 s VAL 224 Cb -0.09 -2.23 0.01 0.00 0.00 0.00 0.00 36.38 34.07 1p88 s VAL 224 CO 0.00 0.20 -0.20 0.54 0.00 0.00 0.00 175.10 175.64 1p88 s VAL 225 N 1.23 1.87 -0.05 2.92 0.11 0.17 0.66 120.40 127.30 1p88 s VAL 225 Ca -0.02 -0.87 -0.30 0.00 -2.93 0.00 0.00 61.98 57.86 1p88 s VAL 225 Cb -0.17 -1.66 -0.02 0.00 -1.53 0.00 0.00 36.38 33.00 1p88 s VAL 225 CO -0.07 0.51 1.00 -0.54 -3.33 0.00 0.00 175.10 172.68 1p88 s LYS 226 N 0.82 4.49 0.39 1.54 3.01 -1.26 -0.40 119.74 128.32 1p88 s LYS 226 Ca -0.08 1.42 -0.07 0.00 -1.01 0.00 0.00 55.97 56.23 1p88 s LYS 226 Cb -0.16 -3.50 0.09 0.00 -1.01 0.00 0.00 37.83 33.25 1p88 s LYS 226 CO -0.01 -0.19 0.52 0.41 0.51 0.00 0.00 175.35 176.59 1p88 n GLY 227 N 3.01 -1.35 2.51 -3.33 0.00 -1.25 -4.25 105.19 100.52 1p88 n GLY 227 Ca 0.08 -1.67 -0.18 0.00 0.00 0.00 0.00 46.02 44.24 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 1.49 1.56 2.06 -0.02 0.00 0.66 -4.83 105.19 106.10 1p88 n GLY 228 Ca 0.06 -0.15 -0.16 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.50 -1.18 -3.77 1.61 6.02 0.53 -4.96 117.38 113.14 1p88 n GLN 229 Ca -0.18 -1.08 -0.13 0.00 -0.01 0.00 0.00 57.00 55.60 1p88 n GLN 229 Cb 0.60 -0.80 -0.09 0.00 1.02 0.00 0.00 30.24 30.97 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 -3.50 -0.21 -0.16 1.08 0.15 -1.26 -4.61 113.70 105.18 1p88 s SER 230 Ca 0.41 0.20 -0.06 0.00 0.70 0.00 0.00 55.95 57.19 1p88 s SER 230 Cb -0.02 0.39 -0.04 0.00 -1.71 0.00 0.00 66.02 64.64 1p88 s SER 230 CO 0.29 -0.37 0.05 -0.31 1.20 0.00 0.00 173.24 174.10 1p88 s TYR 231 N -1.00 3.24 0.05 3.44 2.02 -1.26 -4.49 117.35 119.34 1p88 s TYR 231 Ca -0.11 0.07 0.08 0.00 -0.37 0.00 0.00 57.07 56.75 1p88 s TYR 231 Cb -0.05 -2.02 -0.03 0.00 -0.40 0.00 0.00 41.96 39.46 1p88 s TYR 231 CO 0.03 0.21 -0.23 -1.14 -1.57 0.00 0.00 175.55 172.84 1p88 s GLN 232 N 0.13 1.57 -0.33 -0.62 0.74 0.28 0.58 119.66 122.02 1p88 s GLN 232 Ca 0.04 -1.03 -0.29 0.00 0.05 0.00 0.00 55.36 54.13 1p88 s GLN 232 Cb -0.12 -1.73 -0.01 0.00 1.10 0.00 0.00 33.01 32.25 1p88 s GLN 232 CO 0.01 0.44 1.67 -1.12 -0.55 0.00 0.00 175.29 175.74 1p88 s SER 233 N -1.24 6.09 0.00 6.67 0.01 -1.04 -4.39 113.70 119.80 1p88 s SER 233 Ca 0.10 1.24 0.10 0.00 1.31 0.00 0.00 55.95 58.70 1p88 s SER 233 Cb -0.09 -2.53 0.59 0.00 0.21 0.00 0.00 66.02 64.20 1p88 s SER 233 CO 0.02 -1.56 1.08 -0.81 0.41 0.00 0.00 173.24 172.38 1p88 n PRO 234 N 8.21 0.29 0.00 12.44 -0.04 -1.26 -4.77 135.00 149.87 1p88 n PRO 234 Ca 0.21 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 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 -0.37 0.78 3.26 0.55 0.00 -1.26 -4.89 105.19 103.27 1p88 n GLY 235 Ca 0.07 -0.72 -0.32 0.00 0.00 0.00 0.00 46.02 45.05 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 2.07 -0.06 2.61 2.01 -1.26 0.19 115.64 121.20 1p88 s THR 236 Ca 0.00 -1.05 0.01 0.00 0.31 0.00 0.00 61.69 60.95 1p88 s THR 236 Cb 0.00 -1.75 0.02 0.00 0.01 0.00 0.00 72.50 70.78 1p88 s THR 236 CO 0.00 0.57 -0.05 -0.47 -0.69 0.00 0.00 174.62 173.97 1p88 s TYR 237 N -0.08 0.95 -0.40 4.92 6.14 0.55 -4.87 117.35 124.57 1p88 s TYR 237 Ca -0.06 -0.33 -0.19 0.00 0.64 0.00 0.00 57.07 57.13 1p88 s TYR 237 Cb -0.14 -0.83 0.01 0.00 0.42 0.00 0.00 41.96 41.42 1p88 s TYR 237 CO 0.05 -0.27 0.56 -1.17 0.64 0.00 0.00 175.55 175.35 1p88 s LEU 238 N 1.16 4.49 -0.42 6.97 1.98 -1.26 0.12 118.68 131.71 1p88 s LEU 238 Ca -0.07 -0.24 -0.24 0.00 -2.89 0.00 0.00 54.13 50.69 1p88 s LEU 238 Cb -0.14 -2.62 0.02 0.00 0.66 0.00 0.00 46.19 44.11 1p88 s LEU 238 CO -0.01 -0.62 0.84 -0.69 -1.89 0.00 0.00 176.35 173.97 1p88 s VAL 239 N 2.54 4.62 -2.00 1.68 1.01 0.17 -4.88 120.40 123.53 1p88 s VAL 239 Ca 0.20 0.74 0.29 0.00 0.00 0.00 0.00 61.98 63.20 1p88 s VAL 239 Cb -0.15 -4.32 0.83 0.00 0.00 0.00 0.00 36.38 32.74 1p88 s VAL 239 CO 0.16 -0.64 2.08 -0.62 0.00 0.00 0.00 175.10 176.07