#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 0.19 4.04 3.02 -1.26 -3.62 115.26 117.64 1p88 n ASN 26 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.44 1p88 n ASN 26 Cb 0.00 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 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 -0.53 -0.93 3.52 3.08 -1.98 -2.17 114.38 115.37 1p88 h ARG 27 Ca 0.00 0.04 0.26 0.00 0.07 0.00 0.00 59.98 60.34 1p88 h ARG 27 Cb 0.00 0.12 -0.14 0.00 0.08 0.00 0.00 29.97 30.03 1p88 h ARG 27 CO 0.00 -0.27 0.40 0.00 -1.07 0.00 0.00 179.97 179.03 1p88 h ALA 28 N -0.88 1.56 -0.14 0.04 0.00 -1.94 0.54 119.26 118.43 1p88 h ALA 28 Ca -0.06 0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 1p88 h ALA 28 Cb 0.51 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1p88 h ALA 28 CO 0.09 -0.45 -0.54 -0.07 0.00 0.00 0.00 179.25 178.28 1p88 h LEU 29 N 0.32 0.45 -0.01 0.00 3.38 -1.81 0.13 115.31 117.76 1p88 h LEU 29 Ca 0.62 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 58.34 1p88 h LEU 29 Cb 1.28 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.90 1p88 h LEU 29 CO -0.60 0.91 -0.01 0.25 0.09 0.00 0.00 178.44 179.08 1p88 h LEU 30 N 0.32 0.03 -1.45 1.67 5.85 0.53 -1.68 115.31 120.57 1p88 h LEU 30 Ca 0.01 -0.44 -0.05 0.00 0.84 0.00 0.00 57.88 58.23 1p88 h LEU 30 Cb 1.05 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 1p88 h LEU 30 CO 0.09 0.47 -0.26 -0.07 -0.34 0.00 0.00 178.44 178.33 1p88 h LEU 31 N -0.41 0.00 -0.72 2.25 3.38 -0.39 0.81 115.31 120.23 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 0.46 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1p88 h LEU 31 CO 0.00 0.26 0.01 0.00 0.09 0.00 0.00 178.44 178.81 1p88 h ALA 32 N 1.74 0.93 0.21 1.53 0.00 -0.52 -1.50 119.26 121.65 1p88 h ALA 32 Ca -0.00 -0.29 -0.30 0.00 0.00 0.00 0.00 54.91 54.31 1p88 h ALA 32 Cb 0.56 -0.22 0.03 0.00 0.00 0.00 0.00 17.79 18.16 1p88 h ALA 32 CO 0.03 0.65 -1.36 0.00 0.00 0.00 0.00 179.25 178.57 1p88 h ALA 33 N 1.09 -0.07 0.00 0.00 0.00 -0.69 -3.20 119.26 116.38 1p88 h ALA 33 Ca 0.17 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1p88 h ALA 33 Cb 0.51 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1p88 h ALA 33 CO 0.03 0.68 0.00 1.28 0.00 0.00 0.00 179.25 181.23 1p88 n LEU 34 N -3.81 0.00 -5.01 0.00 4.77 0.22 0.70 117.00 113.86 1p88 n LEU 34 Ca -0.18 0.17 -0.21 0.00 -0.03 0.00 0.00 56.01 55.76 1p88 n LEU 34 Cb 1.02 -0.17 0.07 0.00 -2.33 0.00 0.00 43.42 42.01 1p88 n LEU 34 CO 0.55 -0.09 0.38 0.00 -1.33 0.00 0.00 177.39 176.90 1p88 s ALA 35 N -2.34 4.29 -0.28 -1.18 0.00 -0.57 -0.75 121.76 120.93 1p88 s ALA 35 Ca 0.17 -1.86 -0.04 0.00 0.00 0.00 0.00 51.96 50.22 1p88 s ALA 35 Cb 0.10 -1.72 0.03 0.00 0.00 0.00 0.00 23.12 21.52 1p88 s ALA 35 CO 0.19 -0.94 0.02 -1.01 0.00 0.00 0.00 175.76 174.01 1p88 s HIS 36 N -2.77 3.15 0.00 0.00 3.76 0.22 0.14 115.29 119.79 1p88 s HIS 36 Ca 0.62 -1.41 0.00 0.00 -0.15 0.00 0.00 55.06 54.11 1p88 s HIS 36 Cb -0.07 -2.16 0.00 0.00 1.11 0.00 0.00 32.58 31.46 1p88 s HIS 36 CO 0.40 -0.69 0.00 0.41 -0.85 0.00 0.00 174.74 174.00 1p88 n GLY 37 N 4.74 2.44 3.58 -2.22 0.00 -1.26 -1.81 105.19 110.66 1p88 n GLY 37 Ca -0.15 -2.09 -0.40 0.00 0.00 0.00 0.00 46.02 43.39 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 -2.20 3.83 0.07 1.61 2.20 -1.25 0.27 119.74 124.26 1p88 s LYS 38 Ca 0.00 -0.09 0.09 0.00 -0.36 0.00 0.00 55.97 55.62 1p88 s LYS 38 Cb 0.00 -3.72 -0.03 0.00 -1.51 0.00 0.00 37.83 32.56 1p88 s LYS 38 CO 0.00 -0.42 -0.26 0.99 -0.36 0.00 0.00 175.35 175.30 1p88 s THR 39 N 2.15 2.24 -0.10 3.43 2.01 -1.02 -4.53 115.64 119.82 1p88 s THR 39 Ca 0.16 -1.46 -0.04 0.00 0.31 0.00 0.00 61.69 60.66 1p88 s THR 39 Cb -0.16 -1.91 -0.04 0.00 0.01 0.00 0.00 72.50 70.41 1p88 s THR 39 CO 0.11 0.29 0.04 -0.69 -0.69 0.00 0.00 174.62 173.69 1p88 s VAL 40 N -0.88 4.65 -0.24 3.82 1.01 0.29 -0.75 120.40 128.30 1p88 s VAL 40 Ca 0.13 -0.11 -0.02 0.00 0.00 0.00 0.00 61.98 61.97 1p88 s VAL 40 Cb -0.10 -2.99 0.02 0.00 0.00 0.00 0.00 36.38 33.31 1p88 s VAL 40 CO 0.03 0.60 -0.06 -0.76 0.00 0.00 0.00 175.10 174.91 1p88 s LEU 41 N -0.81 3.12 0.12 3.92 2.01 0.38 0.24 118.68 127.65 1p88 s LEU 41 Ca 0.13 -0.79 0.04 0.00 0.01 0.00 0.00 54.13 53.51 1p88 s LEU 41 Cb -0.12 -1.67 -0.04 0.00 0.01 0.00 0.00 46.19 44.37 1p88 s LEU 41 CO 0.03 -0.11 0.12 0.28 1.01 0.00 0.00 176.35 177.68 1p88 s THR 42 N 1.35 4.59 -1.10 5.49 -1.32 0.30 0.61 115.64 125.55 1p88 s THR 42 Ca 0.01 -0.88 0.00 0.00 -1.21 0.00 0.00 61.69 59.62 1p88 s THR 42 Cb -0.16 -3.27 0.00 0.00 -1.51 0.00 0.00 72.50 67.55 1p88 s THR 42 CO -0.05 0.02 0.00 -3.20 -2.21 0.00 0.00 174.62 169.18 1p88 n ASN 43 N 0.07 -4.03 -3.00 8.08 5.15 0.29 0.28 115.26 122.09 1p88 n ASN 43 Ca -0.08 0.12 0.00 0.00 -0.60 0.00 0.00 54.58 54.02 1p88 n ASN 43 Cb 0.53 -2.93 0.00 0.00 -0.53 0.00 0.00 39.78 36.84 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 -1.50 0.00 -4.43 1.20 4.77 0.42 -4.72 117.00 112.74 1p88 n LEU 44 Ca -0.13 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.52 1p88 n LEU 44 Cb 0.50 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.46 1p88 n LEU 44 CO 0.17 -1.38 -0.42 -0.22 -1.33 0.00 0.00 177.39 174.21 1p88 s LEU 45 N 0.00 2.90 -1.05 2.23 2.96 -1.26 -4.83 118.68 119.62 1p88 s LEU 45 Ca 0.00 -0.23 -0.17 0.00 -0.22 0.00 0.00 54.13 53.51 1p88 s LEU 45 Cb 0.00 -1.66 0.14 0.00 0.50 0.00 0.00 46.19 45.18 1p88 s LEU 45 CO 0.00 0.20 1.27 -0.62 -1.32 0.00 0.00 176.35 175.88 1p88 s ASP 46 N 0.14 6.80 -0.23 3.68 -1.08 -1.26 -4.43 116.67 120.29 1p88 s ASP 46 Ca -0.05 -2.41 -0.27 0.00 -0.52 0.00 0.00 52.55 49.31 1p88 s ASP 46 Cb -0.14 -2.41 0.10 0.00 -1.46 0.00 0.00 42.92 39.00 1p88 s ASP 46 CO 0.04 -0.95 0.87 -0.44 0.52 0.00 0.00 175.17 175.21 1p88 s SER 47 N 3.37 -0.57 0.31 -0.34 0.01 -1.26 -5.02 113.70 110.21 1p88 s SER 47 Ca 0.38 0.98 0.25 0.00 1.31 0.00 0.00 55.95 58.86 1p88 s SER 47 Cb -0.04 0.95 1.03 0.00 0.21 0.00 0.00 66.02 68.17 1p88 s SER 47 CO -0.05 -0.28 1.03 0.47 0.41 0.00 0.00 173.24 174.82 1p88 n ASP 48 N 1.97 0.10 -0.29 2.44 9.92 -1.26 0.22 116.55 129.65 1p88 n ASP 48 Ca -0.14 0.83 0.02 0.00 -0.53 0.00 0.00 54.79 54.98 1p88 n ASP 48 Cb 0.56 -0.41 0.16 0.00 -0.64 0.00 0.00 41.12 40.79 1p88 n ASP 48 CO 0.00 0.00 0.00 -2.24 0.13 0.00 0.00 177.20 175.09 1p88 h ASP 49 N 0.00 0.66 0.11 -2.24 3.04 -1.93 0.45 116.42 116.50 1p88 h ASP 49 Ca 0.59 0.05 -0.24 0.00 -3.24 0.00 0.00 57.03 54.19 1p88 h ASP 49 Cb 2.06 -0.08 0.00 0.00 -1.04 0.00 0.00 39.33 40.28 1p88 h ASP 49 CO -0.22 0.38 -1.21 0.58 -2.04 0.00 0.00 179.24 176.74 1p88 h VAL 50 N 0.78 1.16 -1.00 4.15 2.07 0.24 -1.54 116.25 122.11 1p88 h VAL 50 Ca 0.39 -2.42 0.20 0.00 0.82 0.00 0.00 66.70 65.69 1p88 h VAL 50 Cb 0.34 2.82 -0.11 0.00 -1.52 0.00 0.00 31.29 32.83 1p88 h VAL 50 CO -0.24 0.68 0.61 -0.09 0.02 0.00 0.00 177.57 178.55 1p88 h ARG 51 N -0.39 0.69 0.06 1.57 2.43 -1.06 0.39 114.38 118.08 1p88 h ARG 51 Ca -0.26 -0.04 -0.25 0.00 -0.81 0.00 0.00 59.98 58.62 1p88 h ARG 51 Cb 1.68 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 31.05 1p88 h ARG 51 CO 0.06 0.46 -1.18 0.45 -1.51 0.00 0.00 179.97 178.25 1p88 h HIS 52 N 0.71 0.23 -0.82 2.20 3.86 -0.20 0.89 115.15 122.03 1p88 h HIS 52 Ca 0.59 -0.17 0.17 0.00 -1.16 0.00 0.00 60.37 59.80 1p88 h HIS 52 Cb 0.98 -0.01 -0.06 0.00 1.06 0.00 0.00 27.41 29.39 1p88 h HIS 52 CO -0.00 1.14 0.54 1.98 0.86 0.00 0.00 177.93 182.45 1p88 h MET 53 N 0.03 0.43 0.15 2.45 1.85 0.69 3.71 114.93 124.24 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 1.88 -0.10 0.01 0.00 0.43 0.00 0.00 31.60 33.83 1p88 h MET 53 CO 0.16 0.28 -1.29 -0.07 -0.40 0.00 0.00 176.91 175.59 1p88 h LEU 54 N 0.44 0.49 -0.83 3.39 3.38 -0.42 -3.15 115.31 118.61 1p88 h LEU 54 Ca 0.41 -0.90 0.07 0.00 0.09 0.00 0.00 57.88 57.55 1p88 h LEU 54 Cb 0.95 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.48 1p88 h LEU 54 CO -0.15 1.59 0.50 -1.13 0.09 0.00 0.00 178.44 179.35 1p88 h ASN 55 N -0.22 0.78 -0.23 -0.43 -1.24 0.47 1.26 115.58 115.97 1p88 h ASN 55 Ca -0.26 0.02 0.03 0.00 0.71 0.00 0.00 56.30 56.81 1p88 h ASN 55 Cb 1.82 -0.14 -0.03 0.00 0.73 0.00 0.00 38.32 40.70 1p88 h ASN 55 CO 0.13 0.49 0.03 0.00 -1.29 0.00 0.00 177.43 176.78 1p88 h ALA 56 N 1.41 0.22 -0.70 1.57 0.00 0.67 1.33 119.26 123.75 1p88 h ALA 56 Ca 0.37 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.31 1p88 h ALA 56 Cb 0.21 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1p88 h ALA 56 CO -0.19 -0.40 0.35 -0.07 0.00 0.00 0.00 179.25 178.95 1p88 h LEU 57 N 0.11 0.89 -1.19 0.00 4.07 -1.20 -1.56 115.31 116.43 1p88 h LEU 57 Ca 0.10 -0.09 -0.05 0.00 0.08 0.00 0.00 57.88 57.93 1p88 h LEU 57 Cb 0.11 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 41.61 1p88 h LEU 57 CO -0.15 0.74 0.04 0.74 -1.08 0.00 0.00 178.44 178.72 1p88 h THR 58 N 0.99 1.20 -0.12 0.22 2.02 0.44 1.07 112.91 118.73 1p88 h THR 58 Ca 0.25 -0.77 -0.21 0.00 0.77 0.00 0.00 66.41 66.45 1p88 h THR 58 Cb 0.07 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 1p88 h THR 58 CO -0.03 0.27 -0.76 0.00 0.37 0.00 0.00 175.52 175.36 1p88 h ALA 59 N 1.47 0.44 0.00 6.16 0.00 0.25 -3.12 119.26 124.47 1p88 h ALA 59 Ca 0.12 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1p88 h ALA 59 Cb 0.31 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1p88 h ALA 59 CO 0.01 0.72 -0.15 1.28 0.00 0.00 0.00 179.25 181.11 1p88 n LEU 60 N -3.89 0.55 -0.02 0.00 4.77 -0.84 -4.69 117.00 112.89 1p88 n LEU 60 Ca -0.06 0.45 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1p88 n LEU 60 Cb 0.73 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1p88 n LEU 60 CO 0.51 -0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1p88 n GLY 61 N 1.38 1.37 3.67 -0.72 0.00 -0.58 -4.37 105.19 105.94 1p88 n GLY 61 Ca 0.06 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.04 5.07 -0.04 1.61 1.01 0.36 -4.99 120.40 121.38 1p88 s VAL 62 Ca 0.00 1.06 -0.24 0.00 0.00 0.00 0.00 61.98 62.80 1p88 s VAL 62 Cb 0.00 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 1p88 s VAL 62 CO 0.00 0.16 0.72 -0.44 0.00 0.00 0.00 175.10 175.54 1p88 s SER 63 N 1.14 7.04 0.29 3.32 0.01 -1.26 -4.29 113.70 119.96 1p88 s SER 63 Ca 0.26 1.26 -0.18 0.00 1.31 0.00 0.00 55.95 58.60 1p88 s SER 63 Cb -0.16 -2.43 0.02 0.00 0.21 0.00 0.00 66.02 63.66 1p88 s SER 63 CO 0.10 -0.10 0.67 -0.72 0.41 0.00 0.00 173.24 173.60 1p88 s TYR 64 N 0.66 0.03 0.03 2.43 1.13 -1.26 0.22 117.35 120.60 1p88 s TYR 64 Ca 0.38 -0.50 0.01 0.00 -1.41 0.00 0.00 57.07 55.56 1p88 s TYR 64 Cb -0.18 0.58 -0.02 0.00 -1.10 0.00 0.00 41.96 41.24 1p88 s TYR 64 CO 0.19 -1.23 -0.05 0.99 -2.51 0.00 0.00 175.55 172.94 1p88 s THR 65 N -3.66 0.30 -0.05 -3.49 2.01 0.60 -4.94 115.64 106.42 1p88 s THR 65 Ca 0.15 -0.92 0.05 0.00 0.31 0.00 0.00 61.69 61.29 1p88 s THR 65 Cb -0.04 -0.40 -0.02 0.00 0.01 0.00 0.00 72.50 72.04 1p88 s THR 65 CO 0.09 -0.40 -0.21 -0.22 -0.69 0.00 0.00 174.62 173.18 1p88 s LEU 66 N -1.40 2.32 1.49 4.42 2.96 -1.26 0.46 118.68 127.68 1p88 s LEU 66 Ca -0.12 -0.39 -0.25 0.00 -0.22 0.00 0.00 54.13 53.15 1p88 s LEU 66 Cb -0.09 -1.44 0.39 0.00 0.50 0.00 0.00 46.19 45.55 1p88 s LEU 66 CO -0.00 0.29 0.88 -1.54 -1.32 0.00 0.00 176.35 174.65 1p88 n SER 67 N 2.69 -4.22 0.09 3.68 3.41 0.29 -4.90 113.62 114.66 1p88 n SER 67 Ca -0.17 -0.88 -0.04 0.00 -0.26 0.00 0.00 58.87 57.52 1p88 n SER 67 Cb 0.52 -1.01 -0.06 0.00 -0.26 0.00 0.00 64.21 63.40 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 -3.68 0.47 -0.00 7.33 0.00 -2.00 -3.12 119.26 118.26 1p88 h ALA 68 Ca -0.40 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 53.76 1p88 h ALA 68 Cb 1.35 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1p88 h ALA 68 CO 0.24 1.03 -0.00 -0.25 0.00 0.00 0.00 179.25 180.27 1p88 n ASP 69 N -3.32 0.04 -3.64 0.00 8.00 -1.26 -4.91 116.55 111.47 1p88 n ASP 69 Ca 0.01 -1.00 -0.21 0.00 0.71 0.00 0.00 54.79 54.30 1p88 n ASP 69 Cb 0.86 -0.01 0.05 0.00 -0.02 0.00 0.00 41.12 42.01 1p88 n ASP 69 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1p88 n ARG 70 N -0.97 -5.60 0.00 -1.24 1.74 -1.18 -4.85 116.66 104.56 1p88 n ARG 70 Ca 0.24 0.69 0.00 0.00 -0.77 0.00 0.00 57.85 58.01 1p88 n ARG 70 Cb 0.12 -5.43 0.00 0.00 -1.02 0.00 0.00 32.46 26.13 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 -4.30 0.00 -3.86 0.55 -2.24 -1.26 -4.43 114.28 98.75 1p88 n THR 71 Ca -0.26 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.23 1p88 n THR 71 Cb 0.66 0.64 -0.16 0.00 -2.10 0.00 0.00 70.33 69.37 1p88 n THR 71 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1p88 s ARG 72 N 0.00 1.24 -0.09 -0.78 3.52 -1.25 0.16 118.95 121.75 1p88 s ARG 72 Ca 0.00 -0.70 0.04 0.00 -0.13 0.00 0.00 55.73 54.94 1p88 s ARG 72 Cb 0.00 -2.31 -0.01 0.00 -1.56 0.00 0.00 34.95 31.07 1p88 s ARG 72 CO 0.00 -0.58 -0.21 0.00 -0.81 0.00 0.00 175.30 173.69 1p88 s GLU 74 N 0.11 3.25 -0.09 0.00 2.12 0.17 0.14 118.70 124.41 1p88 s GLU 74 Ca -0.10 -0.61 0.00 0.00 0.36 0.00 0.00 54.97 54.62 1p88 s GLU 74 Cb -0.16 -2.68 0.02 0.00 0.26 0.00 0.00 34.13 31.57 1p88 s GLU 74 CO 0.06 0.36 -0.07 0.42 -0.54 0.00 0.00 175.26 175.49 1p88 s ILE 75 N -0.01 0.93 -0.56 -3.70 1.01 0.07 0.22 121.20 119.16 1p88 s ILE 75 Ca -0.02 -0.27 -0.27 0.00 0.00 0.00 0.00 60.65 60.10 1p88 s ILE 75 Cb -0.14 -0.94 -0.03 0.00 0.01 0.00 0.00 42.46 41.36 1p88 s ILE 75 CO 0.03 0.34 1.96 0.27 0.00 0.00 0.00 174.94 177.55 1p88 s ILE 76 N 1.45 3.30 0.31 2.92 -0.00 0.60 -2.42 121.20 127.36 1p88 s ILE 76 Ca -0.01 0.19 -0.23 0.00 -0.00 0.00 0.00 60.65 60.60 1p88 s ILE 76 Cb -0.13 -3.73 -0.16 0.00 -0.00 0.00 0.00 42.46 38.44 1p88 s ILE 76 CO -0.05 -0.69 0.24 0.61 -0.00 0.00 0.00 174.94 175.06 1p88 n GLY 77 N 5.73 -2.27 0.02 6.27 0.00 0.76 -4.06 105.19 111.64 1p88 n GLY 77 Ca 0.24 0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.50 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 2.13 0.51 0.00 1.61 5.15 0.22 -4.15 115.26 120.72 1p88 n ASN 78 Ca 0.13 -0.09 0.00 0.00 -0.60 0.00 0.00 54.58 54.02 1p88 n ASN 78 Cb 0.33 0.18 0.00 0.00 -0.53 0.00 0.00 39.78 39.76 1p88 n ASN 78 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1p88 n GLY 79 N 1.46 0.60 0.00 8.20 0.00 0.38 -4.89 105.19 110.93 1p88 n GLY 79 Ca 0.05 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.71 0.73 3.67 -0.02 0.00 0.07 -4.82 105.19 102.11 1p88 n GLY 80 Ca 0.00 -1.61 -0.54 0.00 0.00 0.00 0.00 46.02 43.87 1p88 n GLY 80 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1p88 n PRO 81 N 0.00 1.32 -2.20 1.61 -0.04 -1.26 -4.07 135.00 130.35 1p88 n PRO 81 Ca 0.00 0.48 -0.42 0.00 -0.04 0.00 0.00 63.50 63.52 1p88 n PRO 81 Cb 0.00 -2.17 -0.02 0.00 -0.04 0.00 0.00 33.50 31.26 1p88 n PRO 81 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1p88 s LEU 82 N 2.57 3.51 0.02 1.53 2.01 -1.26 -4.77 118.68 122.29 1p88 s LEU 82 Ca 0.93 0.89 -0.28 0.00 0.01 0.00 0.00 54.13 55.67 1p88 s LEU 82 Cb -0.97 -3.39 -0.04 0.00 0.01 0.00 0.00 46.19 41.79 1p88 s LEU 82 CO 0.57 -1.64 0.89 -1.38 1.01 0.00 0.00 176.35 175.80 1p88 s HIS 83 N 6.33 3.70 -0.27 0.29 -3.43 -1.26 -4.88 115.29 115.76 1p88 s HIS 83 Ca 0.67 1.61 -0.15 0.00 -0.80 0.00 0.00 55.06 56.40 1p88 s HIS 83 Cb -0.16 -3.00 -0.04 0.00 -1.43 0.00 0.00 32.58 27.95 1p88 s HIS 83 CO 0.31 0.11 0.36 0.00 -2.00 0.00 0.00 174.74 173.51 1p88 s ALA 84 N 0.55 3.56 -0.03 -1.38 0.00 -1.26 -4.51 121.76 118.69 1p88 s ALA 84 Ca 0.46 -0.82 -0.30 0.00 0.00 0.00 0.00 51.96 51.30 1p88 s ALA 84 Cb -0.21 -2.68 -0.05 0.00 0.00 0.00 0.00 23.12 20.18 1p88 s ALA 84 CO 0.26 -0.62 1.41 -1.21 0.00 0.00 0.00 175.76 175.60 1p88 s GLU 85 N 1.98 4.27 0.41 0.00 2.02 -1.26 -4.63 118.70 121.48 1p88 s GLU 85 Ca 0.15 1.95 0.00 0.00 0.02 0.00 0.00 54.97 57.08 1p88 s GLU 85 Cb -0.16 -3.64 0.00 0.00 0.10 0.00 0.00 34.13 30.43 1p88 s GLU 85 CO 0.10 -0.62 0.00 0.41 0.02 0.00 0.00 175.26 175.17 1p88 n GLY 86 N 3.69 -2.33 3.77 -1.39 0.00 -1.26 -4.71 105.19 102.96 1p88 n GLY 86 Ca 0.14 -1.14 -0.38 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.80 3.13 0.28 4.61 0.00 -1.26 -4.63 121.76 121.09 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 -0.36 0.03 -1.17 0.00 0.00 0.00 175.76 174.27 1p88 s LEU 88 N -2.50 3.23 -0.28 0.00 2.96 0.51 -4.96 118.68 117.64 1p88 s LEU 88 Ca 0.57 -0.66 -0.03 0.00 -0.22 0.00 0.00 54.13 53.79 1p88 s LEU 88 Cb -0.27 -1.74 0.11 0.00 0.50 0.00 0.00 46.19 44.79 1p88 s LEU 88 CO 0.33 -0.06 0.17 -1.61 -1.32 0.00 0.00 176.35 173.87 1p88 s GLU 89 N -3.71 0.21 -0.23 1.98 2.02 -1.26 0.20 118.70 117.91 1p88 s GLU 89 Ca 0.33 -0.36 -0.10 0.00 0.02 0.00 0.00 54.97 54.86 1p88 s GLU 89 Cb -0.06 -1.10 -0.05 0.00 0.10 0.00 0.00 34.13 33.03 1p88 s GLU 89 CO 0.21 -0.97 0.15 -0.51 0.02 0.00 0.00 175.26 174.15 1p88 s LEU 90 N 2.18 4.11 -0.66 1.80 1.02 0.59 -4.89 118.68 122.83 1p88 s LEU 90 Ca 0.08 0.12 -0.16 0.00 0.02 0.00 0.00 54.13 54.19 1p88 s LEU 90 Cb -0.15 -2.10 0.15 0.00 0.02 0.00 0.00 46.19 44.11 1p88 s LEU 90 CO -0.32 0.08 0.66 -0.36 0.02 0.00 0.00 176.35 176.43 1p88 s PHE 91 N 0.95 3.35 -0.71 0.29 0.08 -1.26 0.75 117.98 121.42 1p88 s PHE 91 Ca 0.07 -1.44 -0.00 0.00 0.12 0.00 0.00 56.93 55.68 1p88 s PHE 91 Cb -0.13 -3.88 0.38 0.00 -0.57 0.00 0.00 43.02 38.83 1p88 s PHE 91 CO 0.03 -1.09 1.80 1.28 -0.10 0.00 0.00 175.22 177.14 1p88 n LEU 92 N 5.15 6.84 0.09 -0.37 7.99 0.39 -4.82 117.00 132.27 1p88 n LEU 92 Ca -0.03 -4.85 -0.07 0.00 -0.01 0.00 0.00 56.01 51.06 1p88 n LEU 92 Cb 0.43 -0.89 -0.04 0.00 -0.11 0.00 0.00 43.42 42.81 1p88 n LEU 92 CO 0.48 1.84 0.51 1.23 -1.51 0.00 0.00 177.39 179.94 1p88 h GLY 93 N 2.74 -1.02 1.10 -0.72 0.00 -1.86 -2.06 103.07 101.25 1p88 h GLY 93 Ca 0.51 0.47 0.00 0.00 0.00 0.00 0.00 47.33 48.31 1p88 h GLY 93 CO 1.30 -0.34 0.00 0.70 0.00 0.00 0.00 176.54 178.21 1p88 n ASN 94 N -3.61 0.00 -3.84 0.19 3.02 -1.26 -4.23 115.26 105.53 1p88 n ASN 94 Ca -0.04 -0.69 -0.42 0.00 -0.03 0.00 0.00 54.58 53.40 1p88 n ASN 94 Cb 0.18 -0.05 0.01 0.00 -0.61 0.00 0.00 39.78 39.31 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 -1.05 5.51 0.26 5.41 0.00 -0.77 -4.07 120.51 125.80 1p88 n ALA 95 Ca 0.18 -4.40 0.13 0.00 0.00 0.00 0.00 53.44 49.35 1p88 n ALA 95 Cb 0.11 -2.81 0.69 0.00 0.00 0.00 0.00 19.45 17.43 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 7.04 0.00 -1.56 0.00 0.00 -1.76 -1.10 103.07 105.69 1p88 h GLY 96 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.72 1p88 h GLY 96 CO 1.55 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 176.79 1p88 n THR 97 N -3.57 0.48 -0.08 4.70 -2.24 -1.26 -4.44 114.28 107.87 1p88 n THR 97 Ca -0.01 -0.74 -0.12 0.00 -2.27 0.00 0.00 64.05 60.91 1p88 n THR 97 Cb 0.27 0.94 -0.08 0.00 -2.10 0.00 0.00 70.33 69.36 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 0.94 1.66 -0.12 6.98 0.00 -0.79 -4.38 120.51 124.81 1p88 n ALA 98 Ca 0.13 -0.71 -0.08 0.00 0.00 0.00 0.00 53.44 52.78 1p88 n ALA 98 Cb 0.45 0.13 -0.00 0.00 0.00 0.00 0.00 19.45 20.03 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 -0.05 0.49 0.38 0.00 -1.53 -1.46 0.21 114.93 112.96 1p88 h MET 99 Ca -0.38 -0.03 -0.01 0.00 -3.44 0.00 0.00 59.70 55.85 1p88 h MET 99 Cb 1.56 -0.11 -0.03 0.00 -0.55 0.00 0.00 31.60 32.47 1p88 h MET 99 CO -0.08 0.32 -0.51 0.00 0.14 0.00 0.00 176.91 176.79 1p88 h ARG 100 N 0.50 -0.88 -0.48 0.39 -0.00 -1.81 0.74 114.38 112.84 1p88 h ARG 100 Ca 0.14 0.06 0.02 0.00 -0.50 0.00 0.00 59.98 59.70 1p88 h ARG 100 Cb -0.06 0.20 -0.03 0.00 0.00 0.00 0.00 29.97 30.09 1p88 h ARG 100 CO -0.03 -0.59 0.32 -1.00 0.00 0.00 0.00 179.97 178.67 1p88 h PRO 101 N -0.92 0.56 0.14 0.04 0.13 -1.68 -1.78 132.00 128.49 1p88 h PRO 101 Ca -0.04 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.04 1p88 h PRO 101 Cb 0.83 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.83 1p88 h PRO 101 CO -0.13 0.37 -0.07 -0.07 -0.23 0.00 0.00 178.00 177.87 1p88 h LEU 102 N 0.58 -0.16 -1.95 1.56 3.38 0.06 0.39 115.31 119.16 1p88 h LEU 102 Ca 0.19 -0.38 0.21 0.00 0.09 0.00 0.00 57.88 58.00 1p88 h LEU 102 Cb 0.05 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1p88 h LEU 102 CO -0.05 0.36 0.60 0.00 0.09 0.00 0.00 178.44 179.43 1p88 h ALA 103 N -0.08 2.60 0.00 1.53 0.00 0.68 0.26 119.26 124.24 1p88 h ALA 103 Ca -0.02 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1p88 h ALA 103 Cb 0.53 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1p88 h ALA 103 CO 0.03 -0.97 -0.67 0.00 0.00 0.00 0.00 179.25 177.64 1p88 h ALA 104 N 1.49 0.12 -0.74 0.00 0.00 -1.17 -3.34 119.26 115.62 1p88 h ALA 104 Ca 0.35 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1p88 h ALA 104 Cb 1.53 0.45 -0.04 0.00 0.00 0.00 0.00 17.79 19.73 1p88 h ALA 104 CO -0.00 0.43 0.47 0.00 0.00 0.00 0.00 179.25 180.15 1p88 h ALA 105 N -0.58 1.44 0.00 0.00 0.00 0.36 -2.03 119.26 118.44 1p88 h ALA 105 Ca -0.15 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1p88 h ALA 105 Cb 0.89 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1p88 h ALA 105 CO -0.09 0.51 0.00 1.28 0.00 0.00 0.00 179.25 180.94 1p88 n LEU 106 N -4.41 0.26 -0.61 0.00 4.77 0.03 -2.77 117.00 114.26 1p88 n LEU 106 Ca 0.08 0.54 0.01 0.00 -0.03 0.00 0.00 56.01 56.61 1p88 n LEU 106 Cb 0.05 -0.48 0.06 0.00 -2.33 0.00 0.00 43.42 40.72 1p88 n LEU 106 CO 0.37 -0.20 0.40 0.00 -1.33 0.00 0.00 177.39 176.62 1p88 n LEU 108 N 0.05 0.31 -4.85 0.00 4.77 -1.12 0.56 117.00 116.72 1p88 n LEU 108 Ca 0.04 0.16 -0.32 0.00 -0.03 0.00 0.00 56.01 55.87 1p88 n LEU 108 Cb 0.34 -0.55 -0.05 0.00 -2.33 0.00 0.00 43.42 40.83 1p88 n LEU 108 CO 0.05 -0.48 0.50 -0.83 -1.33 0.00 0.00 177.39 175.30 1p88 s GLY 109 N -3.10 2.20 -0.62 -0.72 0.00 -1.25 -3.11 107.32 100.71 1p88 s GLY 109 Ca -0.04 0.06 -0.26 0.00 0.00 0.00 0.00 44.72 44.48 1p88 s GLY 109 CO 0.06 0.28 2.06 -0.56 0.00 0.00 0.00 173.10 174.93 1p88 s SER 110 N -2.62 4.94 -0.12 1.64 0.01 -1.26 -3.28 113.70 113.01 1p88 s SER 110 Ca 0.55 0.41 -0.10 0.00 1.31 0.00 0.00 55.95 58.13 1p88 s SER 110 Cb -0.10 -2.53 0.04 0.00 0.21 0.00 0.00 66.02 63.64 1p88 s SER 110 CO 0.22 -2.65 0.31 0.20 0.41 0.00 0.00 173.24 171.73 1p88 s ASN 111 N 9.41 -0.33 -0.58 2.44 0.01 -1.26 -4.74 114.94 119.89 1p88 s ASN 111 Ca 0.77 0.63 -0.19 0.00 -0.71 0.00 0.00 52.86 53.37 1p88 s ASN 111 Cb -0.13 0.61 0.10 0.00 0.41 0.00 0.00 41.25 42.24 1p88 s ASN 111 CO 0.19 -0.12 0.68 -1.81 -1.51 0.00 0.00 177.10 174.52 1p88 s ASP 112 N 0.46 6.18 0.10 -1.22 1.11 -1.15 -1.86 116.67 120.29 1p88 s ASP 112 Ca -0.02 -1.45 0.10 0.00 0.18 0.00 0.00 52.55 51.35 1p88 s ASP 112 Cb -0.04 -2.29 -0.04 0.00 1.07 0.00 0.00 42.92 41.62 1p88 s ASP 112 CO -0.02 -1.08 -0.23 -0.63 1.18 0.00 0.00 175.17 174.39 1p88 s ILE 113 N 2.57 2.48 -0.25 0.77 1.09 0.12 0.19 121.20 128.17 1p88 s ILE 113 Ca 0.11 -1.54 0.01 0.00 -1.10 0.00 0.00 60.65 58.12 1p88 s ILE 113 Cb -0.25 -2.08 0.04 0.00 -1.06 0.00 0.00 42.46 39.11 1p88 s ILE 113 CO 0.06 0.17 -0.09 -0.69 -0.10 0.00 0.00 174.94 174.29 1p88 s VAL 114 N -1.02 2.45 -0.45 2.92 1.01 0.53 0.17 120.40 126.02 1p88 s VAL 114 Ca 0.15 -1.36 -0.13 0.00 0.00 0.00 0.00 61.98 60.64 1p88 s VAL 114 Cb -0.10 -2.34 0.07 0.00 0.00 0.00 0.00 36.38 34.01 1p88 s VAL 114 CO 0.06 0.09 0.34 -0.76 0.00 0.00 0.00 175.10 174.83 1p88 s LEU 115 N 1.20 5.40 0.00 3.92 1.43 0.21 0.22 118.68 131.07 1p88 s LEU 115 Ca -0.04 -1.35 0.00 0.00 -1.03 0.00 0.00 54.13 51.71 1p88 s LEU 115 Cb -0.18 -2.11 0.00 0.00 0.03 0.00 0.00 46.19 43.93 1p88 s LEU 115 CO -0.05 -0.59 0.01 0.41 0.23 0.00 0.00 176.35 176.35 1p88 n THR 116 N 5.10 0.00 -3.78 5.49 -1.04 0.23 -1.64 114.28 118.64 1p88 n THR 116 Ca -0.12 -0.09 -0.03 0.00 -2.04 0.00 0.00 64.05 61.77 1p88 n THR 116 Cb 0.44 -0.16 -0.00 0.00 -1.82 0.00 0.00 70.33 68.78 1p88 n THR 116 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1p88 s GLY 117 N -1.29 -0.16 1.19 3.41 0.00 -1.26 0.15 107.32 109.36 1p88 s GLY 117 Ca 0.00 0.06 -0.18 0.00 0.00 0.00 0.00 44.72 44.61 1p88 s GLY 117 CO 0.00 0.74 1.09 -0.54 0.00 0.00 0.00 173.10 174.39 1p88 s GLU 118 N -2.85 -1.11 0.31 2.90 2.02 -1.26 -4.74 118.70 113.97 1p88 s GLU 118 Ca 0.15 0.06 0.08 0.00 0.02 0.00 0.00 54.97 55.28 1p88 s GLU 118 Cb -0.01 -1.60 0.85 0.00 0.10 0.00 0.00 34.13 33.48 1p88 s GLU 118 CO 0.02 -3.67 1.71 -1.35 0.02 0.00 0.00 175.26 171.99 1p88 h PRO 119 N -2.55 0.46 0.00 0.39 0.11 -2.02 0.51 132.00 128.90 1p88 h PRO 119 Ca -0.47 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 1p88 h PRO 119 Cb 1.31 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1p88 h PRO 119 CO 0.38 0.31 -0.12 0.07 -0.21 0.00 0.00 178.00 178.43 1p88 h ARG 120 N 0.48 0.00 -0.46 1.05 0.11 -1.92 -2.13 114.38 111.51 1p88 h ARG 120 Ca 0.62 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.68 1p88 h ARG 120 Cb 1.22 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.28 1p88 h ARG 120 CO -0.52 0.12 0.20 1.98 0.10 0.00 0.00 179.97 181.85 1p88 h MET 121 N 0.00 0.65 0.00 0.08 4.05 -0.16 0.01 114.93 119.57 1p88 h MET 121 Ca -0.00 -0.08 0.00 0.00 -0.28 0.00 0.00 59.70 59.34 1p88 h MET 121 Cb 0.46 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.13 1p88 h MET 121 CO 0.02 0.53 0.00 0.87 0.23 0.00 0.00 176.91 178.55 1p88 h LYS 122 N 0.65 0.00 -0.09 0.39 1.79 -1.38 0.32 116.57 118.26 1p88 h LYS 122 Ca 0.16 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 1p88 h LYS 122 Cb 0.11 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.76 1p88 h LYS 122 CO -0.02 0.00 0.00 0.39 -1.08 0.00 0.00 179.45 178.74 1p88 n GLU 123 N -2.57 1.47 -3.72 3.15 -0.58 -0.01 -4.42 120.64 113.95 1p88 n GLU 123 Ca -0.01 -0.70 -0.28 0.00 -0.42 0.00 0.00 57.16 55.75 1p88 n GLU 123 Cb 0.08 -1.38 -0.12 0.00 -0.57 0.00 0.00 31.44 29.46 1p88 n GLU 123 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1p88 s ARG 124 N -1.89 1.85 0.61 3.49 0.52 0.11 -5.12 118.95 118.52 1p88 s ARG 124 Ca 0.33 -2.82 -0.19 0.00 -0.52 0.00 0.00 55.73 52.53 1p88 s ARG 124 Cb 0.17 -2.68 -0.04 0.00 0.52 0.00 0.00 34.95 32.92 1p88 s ARG 124 CO 0.26 -1.31 1.10 -0.35 0.02 0.00 0.00 175.30 175.03 1p88 n PRO 125 N 2.41 1.05 -0.12 3.54 -0.04 -1.26 -4.31 135.00 136.27 1p88 n PRO 125 Ca 0.22 0.41 0.06 0.00 -0.04 0.00 0.00 63.50 64.14 1p88 n PRO 125 Cb 0.39 -2.31 0.09 0.00 -0.04 0.00 0.00 33.50 31.62 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 -1.68 1.33 -0.11 0.52 3.06 0.33 -4.82 119.36 117.99 1p88 n ILE 126 Ca 0.14 -1.57 -0.09 0.00 -2.50 0.00 0.00 62.75 58.74 1p88 n ILE 126 Cb 0.47 0.07 -0.01 0.00 0.54 0.00 0.00 39.64 40.71 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 0.00 0.53 1.00 4.50 0.00 -1.80 -1.24 103.07 106.06 1p88 h GLY 127 Ca 0.00 -0.23 0.08 0.00 0.00 0.00 0.00 47.33 47.18 1p88 h GLY 127 CO 0.00 0.22 0.46 0.45 0.00 0.00 0.00 176.54 177.67 1p88 h HIS 128 N 0.46 0.66 -0.00 5.60 3.86 -1.89 -1.14 115.15 122.70 1p88 h HIS 128 Ca 0.13 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.29 1p88 h HIS 128 Cb 0.04 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.29 1p88 h HIS 128 CO -0.03 0.33 -0.24 1.25 0.86 0.00 0.00 177.93 180.10 1p88 h LEU 129 N 0.64 0.21 -0.40 2.43 5.85 -1.86 -2.25 115.31 119.94 1p88 h LEU 129 Ca 0.31 -0.78 0.05 0.00 0.84 0.00 0.00 57.88 58.31 1p88 h LEU 129 Cb 0.39 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 1p88 h LEU 129 CO -0.10 0.96 0.13 0.58 -0.34 0.00 0.00 178.44 179.67 1p88 h VAL 130 N -0.52 0.87 -0.44 1.05 2.07 -0.82 0.51 116.25 118.97 1p88 h VAL 130 Ca -0.03 -0.10 -0.14 0.00 0.82 0.00 0.00 66.70 67.25 1p88 h VAL 130 Cb 1.00 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1p88 h VAL 130 CO 0.05 0.05 -0.29 0.44 0.02 0.00 0.00 177.57 177.84 1p88 h ASP 131 N 0.29 1.01 -0.50 0.57 3.32 -1.34 1.08 116.42 120.85 1p88 h ASP 131 Ca 0.19 -0.41 0.01 0.00 0.02 0.00 0.00 57.03 56.84 1p88 h ASP 131 Cb 0.18 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 1p88 h ASP 131 CO -0.20 1.21 0.31 0.00 -1.72 0.00 0.00 179.24 178.85 1p88 h ALA 132 N 0.85 0.63 -0.01 3.45 0.00 -0.75 0.65 119.26 124.08 1p88 h ALA 132 Ca 0.09 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1p88 h ALA 132 Cb 0.87 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1p88 h ALA 132 CO 0.08 0.04 -0.15 -0.07 0.00 0.00 0.00 179.25 179.14 1p88 h LEU 133 N 0.63 0.15 -2.13 0.00 3.38 0.17 -3.09 115.31 114.42 1p88 h LEU 133 Ca 0.19 -0.75 0.03 0.00 0.09 0.00 0.00 57.88 57.44 1p88 h LEU 133 Cb -0.03 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1p88 h LEU 133 CO -0.06 0.88 0.09 0.03 0.09 0.00 0.00 178.44 179.46 1p88 h ARG 134 N -0.57 0.00 -0.12 1.13 2.47 0.14 0.14 114.38 117.57 1p88 h ARG 134 Ca -0.02 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.60 1p88 h ARG 134 Cb 0.89 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.20 1p88 h ARG 134 CO 0.03 0.00 -0.37 1.25 0.56 0.00 0.00 179.97 181.44 1p88 h LEU 135 N 0.00 0.27 0.00 3.04 5.85 0.36 -2.11 115.31 122.71 1p88 h LEU 135 Ca 0.05 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1p88 h LEU 135 Cb 0.24 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.20 1p88 h LEU 135 CO -0.00 0.62 0.00 0.61 -0.34 0.00 0.00 178.44 179.33 1p88 n GLY 136 N -0.28 -0.97 0.31 3.75 0.00 0.45 -4.79 105.19 103.66 1p88 n GLY 136 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.47 0.81 3.80 -0.02 0.00 -0.80 0.20 105.19 109.65 1p88 n GLY 137 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.09 2.81 -0.55 4.61 0.00 -0.86 -3.16 121.76 122.53 1p88 s ALA 138 Ca 0.00 0.53 -0.16 0.00 0.00 0.00 0.00 51.96 52.32 1p88 s ALA 138 Cb 0.00 -3.25 0.12 0.00 0.00 0.00 0.00 23.12 20.00 1p88 s ALA 138 CO 0.00 -0.53 0.53 0.15 0.00 0.00 0.00 175.76 175.90 1p88 s LYS 139 N -3.59 3.00 -0.06 0.00 -0.14 0.21 -4.25 119.74 114.90 1p88 s LYS 139 Ca 0.66 -1.64 0.01 0.00 -1.36 0.00 0.00 55.97 53.64 1p88 s LYS 139 Cb -0.16 -4.29 0.02 0.00 -1.68 0.00 0.00 37.83 31.71 1p88 s LYS 139 CO 0.27 -1.35 -0.07 0.42 -0.76 0.00 0.00 175.35 173.86 1p88 s ILE 140 N 1.76 0.81 -0.02 2.17 1.01 -1.26 -1.20 121.20 124.48 1p88 s ILE 140 Ca 0.04 -0.26 0.06 0.00 0.00 0.00 0.00 60.65 60.49 1p88 s ILE 140 Cb -0.29 -0.81 -0.01 0.00 0.01 0.00 0.00 42.46 41.36 1p88 s ILE 140 CO 0.04 0.30 -0.19 -0.89 0.00 0.00 0.00 174.94 174.19 1p88 s THR 141 N 1.04 1.52 0.10 2.92 2.01 -0.72 -4.96 115.64 117.55 1p88 s THR 141 Ca -0.09 -0.81 -0.30 0.00 0.31 0.00 0.00 61.69 60.80 1p88 s THR 141 Cb -0.14 -1.27 -0.06 0.00 0.01 0.00 0.00 72.50 71.04 1p88 s THR 141 CO -0.00 0.43 1.02 -0.31 -0.69 0.00 0.00 174.62 175.06 1p88 s TYR 142 N -0.36 3.70 0.00 4.92 2.02 -1.26 -0.91 117.35 125.47 1p88 s TYR 142 Ca 0.05 1.69 0.00 0.00 -0.37 0.00 0.00 57.07 58.44 1p88 s TYR 142 Cb -0.08 -3.15 0.00 0.00 -0.40 0.00 0.00 41.96 38.33 1p88 s TYR 142 CO -0.00 -0.14 0.00 1.28 -1.57 0.00 0.00 175.55 175.11 1p88 n LEU 143 N 3.04 0.19 0.00 -1.29 4.32 -1.26 -4.91 117.00 117.10 1p88 n LEU 143 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.03 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 0.52 0.00 0.20 -0.62 -1.22 0.00 0.00 177.39 176.27 1p88 n GLU 144 N -0.26 0.00 -4.31 3.23 -0.58 -1.26 -4.86 120.64 112.60 1p88 n GLU 144 Ca 0.00 0.01 -0.27 0.00 -0.42 0.00 0.00 57.16 56.49 1p88 n GLU 144 Cb 0.00 -0.90 -0.10 0.00 -0.57 0.00 0.00 31.44 29.87 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 -0.80 1.99 0.17 3.49 -0.21 -1.26 -5.08 119.66 117.96 1p88 s GLN 145 Ca 0.00 -1.31 -0.31 0.00 0.02 0.00 0.00 55.36 53.77 1p88 s GLN 145 Cb 0.00 -2.12 -0.09 0.00 1.00 0.00 0.00 33.01 31.80 1p88 s GLN 145 CO 0.00 0.43 1.41 -1.21 -2.12 0.00 0.00 175.29 173.80 1p88 s GLU 146 N -2.82 4.31 -0.99 2.91 2.02 -1.26 -1.99 118.70 120.88 1p88 s GLU 146 Ca 0.24 2.16 0.00 0.00 0.02 0.00 0.00 54.97 57.40 1p88 s GLU 146 Cb -0.09 -3.19 0.00 0.00 0.10 0.00 0.00 34.13 30.95 1p88 s GLU 146 CO 0.14 -0.42 0.00 0.09 0.02 0.00 0.00 175.26 175.09 1p88 n ASN 147 N 3.34 -4.21 -4.81 -0.19 4.13 -1.26 -4.86 115.26 107.41 1p88 n ASN 147 Ca 0.10 0.23 -0.22 0.00 1.68 0.00 0.00 54.58 56.36 1p88 n ASN 147 Cb 0.41 -2.53 -0.05 0.00 -1.54 0.00 0.00 39.78 36.08 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 -2.32 2.70 0.07 3.10 1.51 -0.84 0.12 117.35 121.69 1p88 s TYR 148 Ca 0.00 -0.48 -0.13 0.00 -1.01 0.00 0.00 57.07 55.44 1p88 s TYR 148 Cb 0.00 -1.98 -0.03 0.00 -0.11 0.00 0.00 41.96 39.84 1p88 s TYR 148 CO 0.00 0.08 0.78 -2.30 -1.11 0.00 0.00 175.55 173.00 1p88 n PRO 149 N -1.37 -0.19 -1.83 -1.71 -0.02 -1.26 -4.38 135.00 124.24 1p88 n PRO 149 Ca 0.00 0.77 -0.36 0.00 -2.02 0.00 0.00 63.50 61.89 1p88 n PRO 149 Cb 0.62 -1.13 0.06 0.00 -0.02 0.00 0.00 33.50 33.03 1p88 n PRO 149 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1p88 s PRO 150 N -4.80 2.70 -0.21 0.52 0.04 -1.07 -4.26 135.00 127.93 1p88 s PRO 150 Ca -0.05 1.96 -0.19 0.00 0.04 0.00 0.00 61.00 62.77 1p88 s PRO 150 Cb 0.05 -1.88 0.06 0.00 0.04 0.00 0.00 34.50 32.77 1p88 s PRO 150 CO 0.27 -1.46 0.56 -0.51 0.04 0.00 0.00 177.00 175.90 1p88 s LEU 151 N -4.28 -0.20 -0.44 -3.56 1.43 -0.65 -4.02 118.68 106.95 1p88 s LEU 151 Ca 0.80 1.14 -0.11 0.00 -1.03 0.00 0.00 54.13 54.94 1p88 s LEU 151 Cb -0.35 1.92 0.08 0.00 0.03 0.00 0.00 46.19 47.88 1p88 s LEU 151 CO 0.37 -0.20 0.31 -0.13 0.23 0.00 0.00 176.35 176.94 1p88 s ARG 152 N 0.46 2.70 -0.01 1.70 0.52 -0.08 -0.62 118.95 123.63 1p88 s ARG 152 Ca -0.01 -1.47 -0.11 0.00 -0.52 0.00 0.00 55.73 53.62 1p88 s ARG 152 Cb -0.04 -3.91 -0.05 0.00 0.52 0.00 0.00 34.95 31.47 1p88 s ARG 152 CO -0.02 -1.01 0.32 -0.51 0.02 0.00 0.00 175.30 174.11 1p88 s LEU 153 N 1.48 4.42 -0.03 2.53 1.43 0.45 -1.76 118.68 127.20 1p88 s LEU 153 Ca 0.04 0.76 0.19 0.00 -1.03 0.00 0.00 54.13 54.09 1p88 s LEU 153 Cb -0.24 -2.55 0.33 0.00 0.03 0.00 0.00 46.19 43.77 1p88 s LEU 153 CO 0.03 0.31 1.14 0.00 0.23 0.00 0.00 176.35 178.05 1p88 n GLN 154 N 1.60 0.18 0.00 1.70 6.02 -0.34 0.11 117.38 126.64 1p88 n GLN 154 Ca -0.14 -1.85 0.00 0.00 -0.01 0.00 0.00 57.00 55.00 1p88 n GLN 154 Cb 0.53 0.01 0.00 0.00 1.02 0.00 0.00 30.24 31.80 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 0.23 0.73 0.00 1.08 0.00 -1.20 -4.07 105.19 101.95 1p88 n GLY 155 Ca -0.03 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 0.70 3.68 -0.02 0.00 -1.09 0.66 105.19 109.12 1p88 n GLY 156 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.46 2.58 -0.02 1.61 -0.00 0.19 -3.85 117.46 116.52 1p88 n PHE 157 Ca 0.00 -0.25 -0.03 0.00 -0.00 0.00 0.00 57.45 57.17 1p88 n PHE 157 Cb 0.00 -2.77 -0.03 0.00 -0.00 0.00 0.00 39.48 36.69 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 5.08 0.29 -0.04 -2.13 -2.24 0.39 -4.50 114.28 111.12 1p88 n THR 158 Ca 0.19 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1p88 n THR 158 Cb 0.39 -0.78 0.00 0.00 -2.10 0.00 0.00 70.33 67.84 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 3.03 0.97 0.00 3.38 0.00 0.13 0.14 105.19 112.83 1p88 n GLY 159 Ca -0.08 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.06 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 2.54 3.68 -0.02 0.00 -0.81 -4.09 105.19 106.49 1p88 n GLY 160 Ca 0.00 -1.79 -0.57 0.00 0.00 0.00 0.00 46.02 43.66 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 2.00 -4.47 1.61 3.02 -1.26 -3.70 115.26 112.46 1p88 n ASN 161 Ca 0.00 1.10 -0.30 0.00 -0.03 0.00 0.00 54.58 55.35 1p88 n ASN 161 Cb 0.00 -1.12 -0.12 0.00 -0.61 0.00 0.00 39.78 37.93 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 2.58 2.82 -0.21 2.41 1.01 0.62 -4.73 120.40 124.91 1p88 s VAL 162 Ca 0.95 -1.26 -0.03 0.00 0.00 0.00 0.00 61.98 61.64 1p88 s VAL 162 Cb -1.09 -2.22 -0.00 0.00 0.00 0.00 0.00 36.38 33.07 1p88 s VAL 162 CO 0.62 0.28 -0.07 -1.81 0.00 0.00 0.00 175.10 174.12 1p88 s ASP 163 N -1.62 4.10 -0.08 3.32 1.11 -1.26 -0.16 116.67 122.07 1p88 s ASP 163 Ca 0.16 -0.43 -0.01 0.00 0.18 0.00 0.00 52.55 52.44 1p88 s ASP 163 Cb -0.11 -1.69 0.03 0.00 1.07 0.00 0.00 42.92 42.22 1p88 s ASP 163 CO 0.07 -0.01 -0.02 -0.69 1.18 0.00 0.00 175.17 175.69 1p88 s VAL 164 N 1.43 0.55 0.38 -1.27 1.01 -0.61 -4.35 120.40 117.54 1p88 s VAL 164 Ca 0.05 0.01 -0.27 0.00 0.00 0.00 0.00 61.98 61.78 1p88 s VAL 164 Cb -0.14 -0.67 -0.11 0.00 0.00 0.00 0.00 36.38 35.46 1p88 s VAL 164 CO -0.05 0.28 1.29 -0.67 0.00 0.00 0.00 175.10 175.96 1p88 n ASP 165 N 5.09 2.74 0.04 3.32 -0.08 -1.26 -2.74 116.55 123.67 1p88 n ASP 165 Ca -0.08 1.16 -0.11 0.00 -1.51 0.00 0.00 54.79 54.25 1p88 n ASP 165 Cb 0.50 -1.50 -0.05 0.00 2.34 0.00 0.00 41.12 42.41 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 2.36 -0.10 -7.42 0.27 0.00 -1.46 -3.39 103.07 93.33 1p88 h GLY 166 Ca -0.47 0.12 -0.69 0.00 0.00 0.00 0.00 47.33 46.28 1p88 h GLY 166 CO 0.61 -0.10 -0.28 -1.35 0.00 0.00 0.00 176.54 175.42 1p88 s SER 167 N -5.06 6.17 0.00 0.19 1.04 -1.23 0.11 113.70 114.92 1p88 s SER 167 Ca -0.14 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 55.67 1p88 s SER 167 Cb 0.08 -2.20 0.00 0.00 0.10 0.00 0.00 66.02 64.00 1p88 s SER 167 CO 0.67 -0.49 0.00 0.55 0.98 0.00 0.00 173.24 174.94 1p88 n VAL 168 N 5.33 0.00 0.00 5.02 3.14 -1.26 -5.00 118.33 125.56 1p88 n VAL 168 Ca -0.09 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.29 1p88 n VAL 168 Cb 0.48 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.26 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 -0.47 0.00 0.21 6.55 7.64 -1.26 -4.99 113.62 121.30 1p88 n SER 169 Ca 0.00 0.00 0.15 0.00 1.01 0.00 0.00 58.87 60.03 1p88 n SER 169 Cb 0.00 0.00 0.64 0.00 -1.01 0.00 0.00 64.21 63.84 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 0.81 6.43 4.64 -1.91 -2.20 113.55 121.33 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 -0.37 0.00 -0.87 0.00 0.00 176.83 175.59 1p88 n GLN 171 N -2.68 0.11 0.13 4.77 0.00 -1.26 -2.61 117.38 115.85 1p88 n GLN 171 Ca 0.01 0.05 -0.10 0.00 0.00 0.00 0.00 57.00 56.95 1p88 n GLN 171 Cb 0.24 -1.58 -0.06 0.00 0.00 0.00 0.00 30.24 28.83 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 -0.37 -0.46 2.61 -1.00 -1.76 -1.17 116.94 114.78 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 0.59 0.12 -0.02 0.00 3.61 0.00 0.00 35.95 40.26 1p88 h PHE 172 CO 0.00 -0.05 0.20 -0.07 -1.61 0.00 0.00 178.31 176.78 1p88 h LEU 173 N -0.97 0.62 -1.68 1.54 3.38 -1.69 -1.68 115.31 114.83 1p88 h LEU 173 Ca -0.04 -0.15 0.14 0.00 0.09 0.00 0.00 57.88 57.92 1p88 h LEU 173 Cb 0.49 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 1p88 h LEU 173 CO 0.07 0.60 0.46 0.74 0.09 0.00 0.00 178.44 180.39 1p88 h THR 174 N 0.61 0.80 -0.45 0.22 2.02 -1.56 0.38 112.91 114.93 1p88 h THR 174 Ca 0.16 -0.11 -0.13 0.00 0.77 0.00 0.00 66.41 67.09 1p88 h THR 174 Cb 0.16 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 1p88 h THR 174 CO -0.02 0.06 -0.24 0.00 0.37 0.00 0.00 175.52 175.69 1p88 h ALA 175 N 1.67 0.72 0.02 6.16 0.00 -0.26 -2.52 119.26 125.06 1p88 h ALA 175 Ca 0.33 -0.40 -0.23 0.00 0.00 0.00 0.00 54.91 54.61 1p88 h ALA 175 Cb 0.82 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1p88 h ALA 175 CO -0.08 0.67 -0.99 -0.07 0.00 0.00 0.00 179.25 178.78 1p88 h LEU 176 N 0.80 0.50 -1.22 0.00 3.38 -0.65 -1.70 115.31 116.42 1p88 h LEU 176 Ca 0.10 -0.42 0.01 0.00 0.09 0.00 0.00 57.88 57.66 1p88 h LEU 176 Cb 0.81 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 1p88 h LEU 176 CO 0.07 1.23 0.53 -0.07 0.09 0.00 0.00 178.44 180.29 1p88 h LEU 177 N 0.20 0.91 0.16 1.67 4.07 -0.27 0.71 115.31 122.75 1p88 h LEU 177 Ca -0.09 -0.02 -0.25 0.00 0.08 0.00 0.00 57.88 57.60 1p88 h LEU 177 Cb 1.64 -0.22 0.02 0.00 1.08 0.00 0.00 40.66 43.17 1p88 h LEU 177 CO 0.17 0.65 -1.15 0.24 -1.08 0.00 0.00 178.44 177.27 1p88 h MET 178 N 1.07 0.35 -0.19 1.13 2.86 -1.44 -3.35 114.93 115.35 1p88 h MET 178 Ca 0.30 -0.59 -0.15 0.00 -2.06 0.00 0.00 59.70 57.19 1p88 h MET 178 Cb -0.10 0.22 0.00 0.00 0.06 0.00 0.00 31.60 31.78 1p88 h MET 178 CO -0.07 1.28 -0.48 1.15 1.06 0.00 0.00 176.91 179.86 1p88 h THR 179 N -0.22 1.32 -0.87 2.22 2.02 -1.12 -3.34 112.91 112.91 1p88 h THR 179 Ca -0.22 -1.71 0.03 0.00 0.77 0.00 0.00 66.41 65.28 1p88 h THR 179 Cb 1.81 1.91 -0.05 0.00 -1.74 0.00 0.00 68.15 70.08 1p88 h THR 179 CO 0.16 0.53 0.56 0.00 0.37 0.00 0.00 175.52 177.15 1p88 h ALA 180 N 0.58 1.15 0.00 6.16 0.00 0.26 -2.40 119.26 125.01 1p88 h ALA 180 Ca -0.01 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1p88 h ALA 180 Cb 1.09 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1p88 h ALA 180 CO 0.10 0.41 -0.19 -1.00 0.00 0.00 0.00 179.25 178.58 1p88 h PRO 181 N 1.10 0.00 -0.02 0.00 0.13 -1.70 0.13 132.00 131.64 1p88 h PRO 181 Ca 0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.48 1p88 h PRO 181 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1p88 h PRO 181 CO -0.12 0.19 0.00 1.28 -0.23 0.00 0.00 178.00 179.12 1p88 n LEU 182 N -4.10 0.66 -4.76 1.56 4.77 -0.93 0.20 117.00 114.40 1p88 n LEU 182 Ca -0.02 -0.23 -0.40 0.00 -0.03 0.00 0.00 56.01 55.33 1p88 n LEU 182 Cb 0.26 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.29 1p88 n LEU 182 CO 0.35 0.12 0.51 0.00 -1.33 0.00 0.00 177.39 177.04 1p88 s ALA 183 N -1.98 3.39 0.44 -1.18 0.00 0.46 -4.36 121.76 118.53 1p88 s ALA 183 Ca 0.41 0.38 0.20 0.00 0.00 0.00 0.00 51.96 52.95 1p88 s ALA 183 Cb 0.20 -3.02 1.16 0.00 0.00 0.00 0.00 23.12 21.45 1p88 s ALA 183 CO 0.33 0.18 1.85 -1.00 0.00 0.00 0.00 175.76 177.12 1p88 h PRO 184 N 4.86 0.32 -6.22 0.00 0.13 -1.60 2.11 132.00 131.61 1p88 h PRO 184 Ca -0.45 -0.02 -0.69 0.00 -0.87 0.00 0.00 66.00 63.97 1p88 h PRO 184 Cb 1.21 -0.07 -0.20 0.00 0.13 0.00 0.00 31.00 32.06 1p88 h PRO 184 CO 0.68 0.22 -0.72 -2.00 -0.23 0.00 0.00 178.00 175.95 1p88 s GLU 185 N -5.36 2.65 0.44 0.86 2.56 0.38 -4.13 118.70 116.09 1p88 s GLU 185 Ca -0.08 -0.61 -0.24 0.00 0.00 0.00 0.00 54.97 54.04 1p88 s GLU 185 Cb 0.23 -2.51 -0.09 0.00 2.00 0.00 0.00 34.13 33.76 1p88 s GLU 185 CO 0.78 0.65 1.15 -0.40 -0.56 0.00 0.00 175.26 176.88 1p88 n ASP 186 N 2.22 1.92 -4.30 -1.70 5.75 -1.26 -3.92 116.55 115.25 1p88 n ASP 186 Ca -0.18 1.05 -0.26 0.00 -0.01 0.00 0.00 54.79 55.40 1p88 n ASP 186 Cb 0.53 -1.44 -0.13 0.00 -1.03 0.00 0.00 41.12 39.05 1p88 n ASP 186 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1p88 s THR 187 N -1.25 1.84 -0.14 2.12 2.01 0.63 -1.92 115.64 118.94 1p88 s THR 187 Ca 0.63 -1.48 -0.00 0.00 0.31 0.00 0.00 61.69 61.15 1p88 s THR 187 Cb -0.52 -1.63 0.03 0.00 0.01 0.00 0.00 72.50 70.39 1p88 s THR 187 CO 0.56 0.07 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.80 1p88 s VAL 188 N -1.02 1.13 -0.29 3.82 1.01 -1.24 -0.35 120.40 123.46 1p88 s VAL 188 Ca 0.09 -0.46 -0.12 0.00 0.00 0.00 0.00 61.98 61.49 1p88 s VAL 188 Cb -0.10 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 1p88 s VAL 188 CO 0.04 0.29 0.24 -0.63 0.00 0.00 0.00 175.10 175.04 1p88 s ILE 189 N 1.65 5.27 -0.23 2.22 1.09 -0.05 0.23 121.20 131.38 1p88 s ILE 189 Ca 0.03 0.18 -0.10 0.00 -1.10 0.00 0.00 60.65 59.66 1p88 s ILE 189 Cb -0.14 -3.60 -0.05 0.00 -1.06 0.00 0.00 42.46 37.62 1p88 s ILE 189 CO -0.08 0.18 0.14 -0.60 -0.10 0.00 0.00 174.94 174.48 1p88 s ARG 190 N 1.82 4.04 -0.17 2.79 3.52 0.77 0.22 118.95 131.95 1p88 s ARG 190 Ca 0.09 -0.29 -0.17 0.00 -0.13 0.00 0.00 55.73 55.23 1p88 s ARG 190 Cb -0.16 -3.49 -0.04 0.00 -1.56 0.00 0.00 34.95 29.70 1p88 s ARG 190 CO 0.11 0.08 0.43 0.42 -0.81 0.00 0.00 175.30 175.52 1p88 s ILE 191 N 0.99 5.20 -0.81 4.11 1.09 -1.25 -1.57 121.20 128.95 1p88 s ILE 191 Ca 0.07 0.80 -0.24 0.00 -1.10 0.00 0.00 60.65 60.18 1p88 s ILE 191 Cb -0.13 -3.76 0.05 0.00 -1.06 0.00 0.00 42.46 37.56 1p88 s ILE 191 CO 0.04 0.28 1.24 -0.54 -0.10 0.00 0.00 174.94 175.86 1p88 s LYS 192 N 1.02 3.31 0.43 2.79 1.02 -1.11 -4.61 119.74 122.59 1p88 s LYS 192 Ca 0.22 -0.72 0.00 0.00 0.02 0.00 0.00 55.97 55.48 1p88 s LYS 192 Cb -0.15 -4.54 0.00 0.00 -0.52 0.00 0.00 37.83 32.62 1p88 s LYS 192 CO 0.08 -2.06 0.00 0.41 -0.92 0.00 0.00 175.35 172.87 1p88 n GLY 193 N 5.74 0.96 3.34 -3.33 0.00 -1.26 -1.44 105.19 109.20 1p88 n GLY 193 Ca 0.11 -1.28 -0.32 0.00 0.00 0.00 0.00 46.02 44.52 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 3.61 0.34 1.61 1.11 -1.26 -4.79 116.67 113.28 1p88 s ASP 194 Ca 0.00 -0.39 -0.24 0.00 0.18 0.00 0.00 52.55 52.10 1p88 s ASP 194 Cb 0.00 -1.21 -0.15 0.00 1.07 0.00 0.00 42.92 42.63 1p88 s ASP 194 CO 0.00 0.22 0.35 0.18 1.18 0.00 0.00 175.17 177.10 1p88 n LEU 195 N 3.11 -1.63 0.20 1.23 4.77 -1.26 -3.56 117.00 119.87 1p88 n LEU 195 Ca -0.18 0.95 0.07 0.00 -0.03 0.00 0.00 56.01 56.82 1p88 n LEU 195 Cb 0.52 -0.96 0.35 0.00 -2.33 0.00 0.00 43.42 41.00 1p88 n LEU 195 CO 0.28 -3.45 0.71 1.62 -1.33 0.00 0.00 177.39 175.21 1p88 h VAL 196 N 0.70 0.74 0.00 4.08 3.04 0.49 -3.40 116.25 121.89 1p88 h VAL 196 Ca -0.35 -1.43 -0.13 0.00 -1.01 0.00 0.00 66.70 63.78 1p88 h VAL 196 Cb 1.43 1.92 -0.13 0.00 -2.01 0.00 0.00 31.29 32.50 1p88 h VAL 196 CO 0.52 0.32 -0.19 -1.20 -1.01 0.00 0.00 177.57 176.00 1p88 n SER 197 N -3.44 -1.84 -0.28 3.17 7.64 -1.26 -4.87 113.62 112.73 1p88 n SER 197 Ca 0.00 -2.36 0.34 0.00 1.01 0.00 0.00 58.87 57.86 1p88 n SER 197 Cb 0.50 1.16 0.74 0.00 -1.01 0.00 0.00 64.21 65.60 1p88 n SER 197 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 1p88 h LYS 198 N 3.32 0.00 0.00 1.43 2.10 -1.97 0.50 116.57 121.96 1p88 h LYS 198 Ca -0.21 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.40 1p88 h LYS 198 Cb 1.15 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.47 1p88 h LYS 198 CO 0.00 0.00 -0.21 -1.35 -2.00 0.00 0.00 179.45 175.89 1p88 h PRO 199 N 0.00 0.00 -0.30 0.07 0.11 -1.98 -1.13 132.00 128.78 1p88 h PRO 199 Ca 0.53 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.51 1p88 h PRO 199 Cb 2.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 33.30 1p88 h PRO 199 CO -0.01 0.21 -0.30 -0.92 -0.21 0.00 0.00 178.00 176.78 1p88 h TYR 200 N 0.00 0.88 -0.96 0.65 3.20 -0.38 -2.82 116.97 117.54 1p88 h TYR 200 Ca -0.00 -0.26 0.01 0.00 3.14 0.00 0.00 58.73 61.61 1p88 h TYR 200 Cb 0.40 -0.18 -0.05 0.00 1.54 0.00 0.00 36.73 38.44 1p88 h TYR 200 CO 0.00 1.02 0.63 0.82 -1.64 0.00 0.00 178.16 178.99 1p88 h ILE 201 N 0.48 1.25 -0.57 1.81 1.08 -1.19 -0.70 117.51 119.67 1p88 h ILE 201 Ca 0.05 -0.47 0.03 0.00 -0.39 0.00 0.00 64.86 64.08 1p88 h ILE 201 Cb 0.87 -0.16 -0.04 0.00 -3.07 0.00 0.00 36.82 34.42 1p88 h ILE 201 CO 0.07 0.24 0.33 0.44 -0.69 0.00 0.00 178.15 178.54 1p88 h ASP 202 N 1.31 0.51 0.04 1.72 5.19 -1.05 0.24 116.42 124.38 1p88 h ASP 202 Ca 0.35 0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.77 1p88 h ASP 202 Cb -0.14 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.28 1p88 h ASP 202 CO -0.07 0.35 -0.02 0.40 -3.12 0.00 0.00 179.24 176.78 1p88 h ILE 203 N 0.64 1.06 -0.22 0.35 2.04 -1.16 -0.82 117.51 119.39 1p88 h ILE 203 Ca 0.24 -0.31 0.05 0.00 1.00 0.00 0.00 64.86 65.85 1p88 h ILE 203 Cb 0.07 1.26 -0.06 0.00 -0.74 0.00 0.00 36.82 37.36 1p88 h ILE 203 CO -0.12 0.08 -0.15 0.74 0.00 0.00 0.00 178.15 178.69 1p88 h THR 204 N -0.18 0.57 0.00 -0.27 2.02 -0.65 2.25 112.91 116.65 1p88 h THR 204 Ca -0.01 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 1p88 h THR 204 Cb 0.17 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 1p88 h THR 204 CO 0.01 0.00 -0.32 -0.07 0.37 0.00 0.00 175.52 175.51 1p88 h LEU 205 N -0.14 0.00 0.04 2.58 3.38 -0.91 1.66 115.31 121.92 1p88 h LEU 205 Ca 0.13 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.99 1p88 h LEU 205 Cb 0.33 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.09 1p88 h LEU 205 CO -0.31 0.32 -0.44 -1.13 0.09 0.00 0.00 178.44 176.98 1p88 h ASN 206 N 0.00 0.32 0.61 -0.43 -0.73 0.21 0.11 115.58 115.66 1p88 h ASN 206 Ca -0.00 -0.86 -0.12 0.00 1.87 0.00 0.00 56.30 57.19 1p88 h ASN 206 Cb 0.60 -0.10 -0.02 0.00 0.27 0.00 0.00 38.32 39.07 1p88 h ASN 206 CO 0.04 1.14 -0.57 0.25 -0.37 0.00 0.00 177.43 177.92 1p88 h LEU 207 N -0.47 0.00 -0.17 0.34 5.85 0.39 -2.12 115.31 119.12 1p88 h LEU 207 Ca -0.07 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.43 1p88 h LEU 207 Cb 1.24 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.27 1p88 h LEU 207 CO 0.08 0.57 -0.95 0.24 -0.34 0.00 0.00 178.44 178.05 1p88 h MET 208 N 0.00 0.37 -0.80 1.25 2.86 0.24 -3.17 114.93 115.69 1p88 h MET 208 Ca -0.01 -0.41 -0.02 0.00 -2.06 0.00 0.00 59.70 57.21 1p88 h MET 208 Cb 1.03 0.12 -0.04 0.00 0.06 0.00 0.00 31.60 32.77 1p88 h MET 208 CO 0.07 1.09 0.44 0.87 1.06 0.00 0.00 176.91 180.44 1p88 h LYS 209 N 0.20 1.11 0.00 1.72 1.57 -0.43 0.46 116.57 121.21 1p88 h LYS 209 Ca -0.08 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.57 1p88 h LYS 209 Cb 1.59 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 33.68 1p88 h LYS 209 CO 0.16 0.81 -0.04 0.00 -0.57 0.00 0.00 179.45 179.82 1p88 h THR 210 N 1.12 0.71 -0.00 -0.16 1.03 -1.36 0.13 112.91 114.37 1p88 h THR 210 Ca 0.28 -0.14 0.00 0.00 -0.01 0.00 0.00 66.41 66.54 1p88 h THR 210 Cb 0.02 1.08 0.00 0.00 -1.07 0.00 0.00 68.15 68.19 1p88 h THR 210 CO -0.05 0.03 -0.14 0.49 -0.01 0.00 0.00 175.52 175.85 1p88 n PHE 211 N -4.04 0.00 0.00 0.00 3.72 0.12 -4.14 117.46 113.12 1p88 n PHE 211 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 1p88 n PHE 211 Cb 0.12 -0.29 0.00 0.00 -0.94 0.00 0.00 39.48 38.37 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 1.38 1.14 3.30 1.37 0.00 0.46 0.11 105.19 112.97 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 1.85 -0.01 1.61 -7.23 -1.09 -4.75 120.40 108.77 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 -1.65 -0.01 0.00 0.56 0.00 0.00 36.38 35.28 1p88 s VAL 213 CO 0.00 0.06 -0.12 -1.61 -0.31 0.00 0.00 175.10 173.11 1p88 s GLU 214 N -1.74 1.04 0.10 4.82 2.02 -1.26 -2.62 118.70 121.06 1p88 s GLU 214 Ca 0.09 -0.44 0.09 0.00 0.02 0.00 0.00 54.97 54.73 1p88 s GLU 214 Cb -0.10 -1.00 -0.04 0.00 0.10 0.00 0.00 34.13 33.10 1p88 s GLU 214 CO 0.04 0.25 -0.24 0.42 0.02 0.00 0.00 175.26 175.75 1p88 s ILE 215 N -0.23 1.97 -0.24 -1.63 -1.09 -1.26 -4.50 121.20 114.22 1p88 s ILE 215 Ca 0.04 -1.57 -0.08 0.00 -2.23 0.00 0.00 60.65 56.81 1p88 s ILE 215 Cb -0.05 -1.75 -0.03 0.00 -1.58 0.00 0.00 42.46 39.04 1p88 s ILE 215 CO -0.00 0.08 0.09 -0.70 -1.23 0.00 0.00 174.94 173.17 1p88 s GLU 216 N -1.81 3.77 0.32 2.79 2.56 0.16 -4.94 118.70 121.56 1p88 s GLU 216 Ca 0.10 -0.42 -0.13 0.00 0.00 0.00 0.00 54.97 54.52 1p88 s GLU 216 Cb -0.10 -3.35 -0.08 0.00 2.00 0.00 0.00 34.13 32.60 1p88 s GLU 216 CO 0.04 -0.08 0.71 0.54 -0.56 0.00 0.00 175.26 175.91 1p88 s ASN 217 N 1.34 6.69 0.00 -1.70 6.03 -1.26 0.12 114.94 126.16 1p88 s ASN 217 Ca 0.05 1.18 0.00 0.00 -1.03 0.00 0.00 52.86 53.06 1p88 s ASN 217 Cb -0.15 -2.33 0.00 0.00 -3.03 0.00 0.00 41.25 35.74 1p88 s ASN 217 CO 0.04 -0.22 0.00 0.00 -2.03 0.00 0.00 177.10 174.89 1p88 n GLN 218 N -0.52 3.16 -1.14 3.55 1.13 0.13 -4.89 117.38 118.80 1p88 n GLN 218 Ca 0.03 0.00 -0.35 0.00 -1.94 0.00 0.00 57.00 54.74 1p88 n GLN 218 Cb 0.53 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.85 1p88 n GLN 218 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1p88 n HIS 219 N 0.00 2.08 -3.24 1.08 8.25 -1.26 -4.29 115.22 117.83 1p88 n HIS 219 Ca 0.00 -2.27 -0.23 0.00 -0.26 0.00 0.00 57.72 54.96 1p88 n HIS 219 Cb 0.00 -1.97 0.03 0.00 1.12 0.00 0.00 29.99 29.18 1p88 n HIS 219 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 1p88 n TYR 220 N 5.50 -2.10 0.00 4.41 9.36 -1.26 -4.76 117.16 128.32 1p88 n TYR 220 Ca 0.53 0.61 0.00 0.00 3.32 0.00 0.00 57.90 62.36 1p88 n TYR 220 Cb 0.28 -4.23 0.00 0.00 -0.63 0.00 0.00 39.34 34.76 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 -4.17 0.00 0.00 2.98 10.64 -1.26 -3.98 117.38 121.59 1p88 n GLN 221 Ca -0.06 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.11 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 0.94 -1.83 0.00 0.00 177.06 176.17 1p88 n GLN 222 N 0.00 0.00 -5.16 2.61 7.27 -1.19 -3.78 117.38 117.13 1p88 n GLN 222 Ca 0.00 0.00 -0.29 0.00 0.07 0.00 0.00 57.00 56.78 1p88 n GLN 222 Cb 0.00 0.00 -0.16 0.00 2.41 0.00 0.00 30.24 32.49 1p88 n GLN 222 CO 0.00 0.00 0.00 -0.06 0.07 0.00 0.00 177.06 177.07 1p88 s PHE 223 N 0.00 2.11 -0.22 3.69 0.40 0.59 0.19 117.98 124.74 1p88 s PHE 223 Ca 0.00 -0.40 0.02 0.00 -0.60 0.00 0.00 56.93 55.95 1p88 s PHE 223 Cb 0.00 -1.35 0.04 0.00 0.51 0.00 0.00 43.02 42.22 1p88 s PHE 223 CO 0.00 -0.03 -0.14 0.08 0.70 0.00 0.00 175.22 175.83 1p88 s VAL 224 N -0.57 2.03 -0.12 -0.44 1.01 0.31 -0.87 120.40 121.75 1p88 s VAL 224 Ca 0.09 -1.28 0.02 0.00 0.00 0.00 0.00 61.98 60.81 1p88 s VAL 224 Cb -0.09 -2.03 0.01 0.00 0.00 0.00 0.00 36.38 34.27 1p88 s VAL 224 CO -0.01 0.20 -0.19 0.54 0.00 0.00 0.00 175.10 175.64 1p88 s VAL 225 N 1.22 1.81 -0.03 2.92 0.11 0.53 0.40 120.40 127.37 1p88 s VAL 225 Ca -0.03 -0.84 -0.30 0.00 -2.93 0.00 0.00 61.98 57.88 1p88 s VAL 225 Cb -0.17 -1.62 -0.03 0.00 -1.53 0.00 0.00 36.38 33.03 1p88 s VAL 225 CO -0.08 0.50 1.08 -0.75 -3.33 0.00 0.00 175.10 172.52 1p88 s LYS 226 N 0.82 4.45 0.84 1.54 2.47 -1.26 -0.27 119.74 128.34 1p88 s LYS 226 Ca -0.08 1.53 -0.14 0.00 -1.56 0.00 0.00 55.97 55.72 1p88 s LYS 226 Cb -0.16 -3.49 0.19 0.00 -1.46 0.00 0.00 37.83 32.92 1p88 s LYS 226 CO -0.00 -0.26 1.15 0.41 0.16 0.00 0.00 175.35 176.80 1p88 n GLY 227 N 3.12 -1.37 2.37 5.54 0.00 -1.26 -4.27 105.19 109.33 1p88 n GLY 227 Ca 0.08 -1.72 -0.13 0.00 0.00 0.00 0.00 46.02 44.26 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 -2.52 1.23 1.33 -0.02 0.00 0.71 -4.81 105.19 101.12 1p88 n GLY 228 Ca 0.14 -0.40 -0.10 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.58 -0.67 -3.69 1.61 6.02 0.54 -4.96 117.38 113.65 1p88 n GLN 229 Ca -0.13 -0.70 -0.15 0.00 -0.01 0.00 0.00 57.00 56.01 1p88 n GLN 229 Cb 0.45 -0.50 -0.08 0.00 1.02 0.00 0.00 30.24 31.13 1p88 n GLN 229 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1p88 s SER 230 N -2.68 -0.38 -0.18 1.08 0.01 -1.26 -4.60 113.70 105.69 1p88 s SER 230 Ca 0.26 0.44 -0.08 0.00 1.31 0.00 0.00 55.95 57.88 1p88 s SER 230 Cb -0.01 0.51 -0.04 0.00 0.21 0.00 0.00 66.02 66.69 1p88 s SER 230 CO 0.19 -0.43 0.08 -0.31 0.41 0.00 0.00 173.24 173.17 1p88 s TYR 231 N -0.95 3.29 0.15 2.43 2.02 -1.26 -4.49 117.35 118.55 1p88 s TYR 231 Ca -0.10 0.14 0.11 0.00 -0.37 0.00 0.00 57.07 56.85 1p88 s TYR 231 Cb -0.03 -2.09 -0.04 0.00 -0.40 0.00 0.00 41.96 39.40 1p88 s TYR 231 CO 0.05 0.20 -0.23 -0.65 -1.57 0.00 0.00 175.55 173.35 1p88 s GLN 232 N 0.31 1.55 -0.39 -0.62 -0.21 0.31 0.71 119.66 121.31 1p88 s GLN 232 Ca 0.04 -1.38 -0.29 0.00 0.02 0.00 0.00 55.36 53.76 1p88 s GLN 232 Cb -0.12 -1.93 0.01 0.00 1.00 0.00 0.00 33.01 31.97 1p88 s GLN 232 CO -0.00 0.44 1.37 -1.12 -2.12 0.00 0.00 175.29 173.85 1p88 s SER 233 N -2.34 6.42 0.00 5.90 0.01 -0.75 -4.43 113.70 118.52 1p88 s SER 233 Ca 0.18 0.88 0.13 0.00 1.31 0.00 0.00 55.95 58.45 1p88 s SER 233 Cb -0.09 -2.54 0.80 0.00 0.21 0.00 0.00 66.02 64.39 1p88 s SER 233 CO 0.09 -1.35 1.22 -0.81 0.41 0.00 0.00 173.24 172.79 1p88 n PRO 234 N 7.91 0.47 0.00 12.44 -0.04 -1.26 -4.90 135.00 149.62 1p88 n PRO 234 Ca 0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 1p88 n PRO 234 Cb 0.48 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 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 -0.06 0.99 3.33 0.55 0.00 -1.26 -4.88 105.19 103.85 1p88 n GLY 235 Ca 0.10 -0.74 -0.32 0.00 0.00 0.00 0.00 46.02 45.06 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 2.32 -0.07 2.61 2.01 -1.26 0.11 115.64 121.36 1p88 s THR 236 Ca 0.00 -0.98 -0.00 0.00 0.31 0.00 0.00 61.69 61.02 1p88 s THR 236 Cb 0.00 -1.86 0.02 0.00 0.01 0.00 0.00 72.50 70.68 1p88 s THR 236 CO 0.00 0.57 -0.04 -0.47 -0.69 0.00 0.00 174.62 173.99 1p88 s TYR 237 N -0.35 0.94 -0.41 4.92 6.14 0.65 -4.88 117.35 124.37 1p88 s TYR 237 Ca 0.02 -0.34 -0.18 0.00 0.64 0.00 0.00 57.07 57.21 1p88 s TYR 237 Cb -0.12 -0.87 0.02 0.00 0.42 0.00 0.00 41.96 41.40 1p88 s TYR 237 CO 0.02 -0.32 0.50 -1.17 0.64 0.00 0.00 175.55 175.23 1p88 s LEU 238 N 1.43 4.68 -0.39 6.97 1.98 -1.26 0.11 118.68 132.20 1p88 s LEU 238 Ca -0.02 -0.48 -0.29 0.00 -2.89 0.00 0.00 54.13 50.44 1p88 s LEU 238 Cb -0.13 -2.51 0.02 0.00 0.66 0.00 0.00 46.19 44.23 1p88 s LEU 238 CO -0.03 -0.62 1.22 -0.69 -1.89 0.00 0.00 176.35 174.35 1p88 s VAL 239 N 2.36 4.18 -2.15 1.68 1.01 0.14 -4.89 120.40 122.73 1p88 s VAL 239 Ca 0.16 1.28 0.31 0.00 0.00 0.00 0.00 61.98 63.72 1p88 s VAL 239 Cb -0.16 -4.38 0.80 0.00 0.00 0.00 0.00 36.38 32.64 1p88 s VAL 239 CO 0.15 -0.72 2.08 -0.62 0.00 0.00 0.00 175.10 175.99